G4VSQ8_SCHMA Loading...

Autophagy-related protein 13

AlphaFold DB , UniProt , Accession G4VSQ8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 292 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.5Very low41.8Very low186 Ų186114.5 Ų114.592%0.91656%0.557SS**  01210-90.4-168.4154.700107.5V31M1-V31 HydrophobicContact CE-CB 3.71Å; M1-V31 HydrophobicContact CE-CG2 3.64Å; M1-V31 HydrophobicContact SD-CG2 4.17Å
2N37Very low42.3Very low145 Ų145110.9 Ų110.978%0.77554%0.542SS*.PPolyproline II helixtrans-83.2132.5173.9-79.93.8000109.4
3P47.7Very low43Very low71 Ų71115.1 Ų115.146%0.46156%0.563SS.*PPolyproline II helixtrans-67.6142171.728.6-33.4000110.3Y5P3-Y5 HydrophobicContact CG-CE1 4.42Å; P3-Y5 HydrophobicContact CG-CE2 4.02Å; P3-Y5 WeakPolarHBondContact CG-OH 3.39Å; P3-Y5 WeakPolarHBondContact O-CE2 3.35Å
4Y40.6Very low43.8Very low165 Ų165117.8 Ų117.865%0.64758%0.581SS**PPolyproline II helixtrans-88.1132.7167.2-72.5-88.6000109.1
5Y38.1Very low44Very low146 Ų146116.4 Ų116.457%0.57357%0.572SS**PPolyproline II helixtrans-100.5130.6178.9-58.1-85.9000109.8P3 E24P3-Y5 HydrophobicContact CG-CE1 4.42Å; P3-Y5 HydrophobicContact CG-CE2 4.02Å; P3-Y5 WeakPolarHBondContact CG-OH 3.39Å; P3-Y5 WeakPolarHBondContact O-CE2 3.35Å; Y5-E24 VanDerWaalsContact CD1-OE1 3.24Å; Y5-E24 WeakPolarHBondContact CD1-OE1 3.45Å; Y5-E24 WeakPolarHBondContact CE1-OE1 3.47Å
6V43.4Very low44.2Very low51 Ų51119.3 Ų119.331%0.30960%0.599SS.*BIsolated β-bridgetrans-108.8111.4170.1-178.60000107.7L51V6-L51 HydrophobicContact CG2-CD1 3.81Å
7I42.8Very low44.2Very low125 Ų125119.6 Ų119.664%0.64160%0.598SS**  trans-87.8118.2171.9-55.5173.7000107Y22I7-Y22 HydrophobicContact CG2-CD1 3.91Å; I7-Y22 HydrophobicContact CG2-CE1 4.31Å
8Y44.8Very low44.4Very low59 Ų59120.6 Ų120.623%0.23160%0.604CS.*  trans-115.4143.4169.280.7-92.3000110.2K10 Q23 V25Y8-K10 HydrophobicContact CE2-CB 4.14Å; Y8-Q23 WeakPolarHBondContact CD1-O 3.28Å; Y8-Q23 HydrophobicContact CE1-CB 3.78Å; Y8-Q23 HydrophobicContact CE1-CG 4.31Å; Y8-Q23 WeakPolarHBondContact CE1-O 3.33Å; Y8-Q23 WeakPolarHBondContact OH-CB 3.35Å; Y8-Q23 PolarHBondContact OH-OE1 3.33Å; Y8-V25 HydrophobicContact CD1-CG2 4.39Å; Y8-V25 HydrophobicContact CE1-CG2 3.75Å
9T38.8Very low44.5Very low77 Ų77121.6 Ų121.647%0.47260%0.604SS.*EExtended strand (participates in β ladder)trans-106.1111.8175.8-49.10000107.9
10K46.4Very low44.6Very low105 Ų105117.7 Ų117.746%0.45759%0.589SS.*EExtended strand (participates in β ladder)trans-80.9118.5168.6-170.9-174.3175-156.30108Y8 D12Y8-K10 HydrophobicContact CE2-CB 4.14Å; K10-D12 IonicContact NZ-OD2 2.88Å
11M39.3Very low44.7Very low130 Ų130118 Ų11864%0.6459%0.589SS**  trans-87.8115.4166.9-66.3-154-167.500108.6
12D48Very low45Very low71 Ų71116.4 Ų116.438%0.3857%0.573SS.*  trans-87.2106.3168.6-126.6-37.7000108.1K10 N14 Q15K10-D12 IonicContact NZ-OD2 2.88Å; D12-N14 PolarHBondContact O-N 3.3Å; D12-Q15 PolarHBondContact O-N 3.27Å
13M51.4Low45.6Very low165 Ų165115 Ų11581%0.81356%0.562SS**THydrogen-bonded Turntrans-68.7-4-176.1-69.2-70.4-179.600113.5
14N54.8Low45.6Very low153 Ų153117.9 Ų117.982%0.81857%0.57SS**THydrogen-bonded Turntrans-106.84.9-175.9-64.8-20.3000113.7D12D12-N14 PolarHBondContact O-N 3.3Å
15Q46.4Very low46.3Very low97 Ų97112.9 Ų112.945%0.45356%0.556SS.*  trans-113124.1172.3-73-177.626.800110.3D12 E17D12-Q15 PolarHBondContact O-N 3.27Å; Q15-E17 WeakPolarHBondContact CB-O 3.33Å; Q15-E17 PolarHBondContact O-N 3.49Å
16T47.2Very low47.2Very low162 Ų162109.7 Ų109.799%0.99455%0.552SS**SBendtrans-66.7-14.1172.924.10000113.2
17E45Very low48.2Very low125 Ų125111 Ų11158%0.58456%0.557SS**SBendtrans-102.6121.4162.6-82-175.715100109.2Q15 K19Q15-E17 WeakPolarHBondContact CB-O 3.33Å; Q15-E17 PolarHBondContact O-N 3.49Å; E17-K19 PolarHBondContact O-N 3.45Å; E17-K19 WeakPolarHBondContact OE2-CE 3.1Å; E17-K19 IonicContact OE2-NZ 3.88Å
18I47.2Very low49.2Very low138 Ų138111.4 Ų111.471%0.70856%0.56SS**  trans-69.780.1167.4-55.7171.5000107.2S20I18-S20 PolarHBondContact O-N 3.29Å; I18-S20 VanDerWaalsContact O-N 3.17Å
19K45.5Very low50.3Low140 Ų140112.7 Ų112.761%0.60957%0.57SS**  trans-76.597.7161.8-80.4-176.7-178.3171.90106.9E17 Q21E17-K19 PolarHBondContact O-N 3.45Å; E17-K19 WeakPolarHBondContact OE2-CE 3.1Å; E17-K19 IonicContact OE2-NZ 3.88Å; K19-Q21 VanDerWaalsContact C-N 3.28Å; K19-Q21 PolarHBondContact O-N 2.88Å
20S46.8Very low51.9Low42 Ų42112.2 Ų112.229%0.29457%0.565SS.*  trans-60.192.9170.1-58.70000109I18 Y22I18-S20 PolarHBondContact O-N 3.29Å; I18-S20 VanDerWaalsContact O-N 3.17Å; S20-Y22 VanDerWaalsContact CB-CZ 3.43Å; S20-Y22 WeakPolarHBondContact CB-OH 3.49Å; S20-Y22 WeakPolarHBondContact O-CD2 3.37Å; S20-Y22 PolarHBondContact O-N 3.02Å
21Q47.4Very low53.2Low125 Ų125109.2 Ų109.258%0.58456%0.555SS**EExtended strand (participates in β ladder)trans-74.2104.8164.1-79.6-173.6-1100107K19K19-Q21 VanDerWaalsContact C-N 3.28Å; K19-Q21 PolarHBondContact O-N 2.88Å
22Y47.2Very low54.9Low153 Ų153110.3 Ų110.360%0.656%0.559SS**EExtended strand (participates in β ladder)trans-85.2128.3166.7-54.3-77.9000107.7I7 S20I7-Y22 HydrophobicContact CG2-CD1 3.91Å; I7-Y22 HydrophobicContact CG2-CE1 4.31Å; S20-Y22 VanDerWaalsContact CB-CZ 3.43Å; S20-Y22 WeakPolarHBondContact CB-OH 3.49Å; S20-Y22 WeakPolarHBondContact O-CD2 3.37Å; S20-Y22 PolarHBondContact O-N 3.02Å
23Q48.7Very low56.2Low115 Ų115111.7 Ų111.754%0.53756%0.561SS.*  trans-117.7121.5169.3178.1167.654.600107.4Y8 V25Y8-Q23 WeakPolarHBondContact CD1-O 3.28Å; Y8-Q23 HydrophobicContact CE1-CB 3.78Å; Y8-Q23 HydrophobicContact CE1-CG 4.31Å; Y8-Q23 WeakPolarHBondContact CE1-O 3.33Å; Y8-Q23 WeakPolarHBondContact OH-CB 3.35Å; Y8-Q23 PolarHBondContact OH-OE1 3.33Å; Q23-V25 HydrophobicContact CG-CG2 4.49Å
24E49.1Very low57.3Low132 Ų132104.7 Ų104.762%0.61753%0.528SS*.  trans-76125.7175.6-169.8177.4179.800109.1Y5Y5-E24 VanDerWaalsContact CD1-OE1 3.24Å; Y5-E24 WeakPolarHBondContact CD1-OE1 3.45Å; Y5-E24 WeakPolarHBondContact CE1-OE1 3.47Å
25V53.3Low58.1Low60 Ų60100.6 Ų100.636%0.36451%0.51SS..BIsolated β-bridgetrans-118.7108.7176.1178.10000107.8Y8 Q23 L27Y8-V25 HydrophobicContact CD1-CG2 4.39Å; Y8-V25 HydrophobicContact CE1-CG2 3.75Å; Q23-V25 HydrophobicContact CG-CG2 4.49Å; V25-L27 HydrophobicContact CG1-CD2 3.81Å; V25-L27 HydrophobicContact CG1-CG 4.31Å
26V58.3Low59.4Low79 Ų7997 Ų9748%0.47950%0.496SS..  trans-83.5117.7173.7-177.90000108.5
27L64.4Low60.6Low79 Ų7993.7 Ų93.741%0.41448%0.477SS..  trans-99.3119.1175.2-58.9175.6000109.1V25 L29 L51V25-L27 HydrophobicContact CG1-CD2 3.81Å; V25-L27 HydrophobicContact CG1-CG 4.31Å; L27-L29 HydrophobicContact CB-CD1 4.12Å; L27-L29 HydrophobicContact CB-CG 3.87Å; L27-L29 HydrophobicContact CD1-CD1 4.29Å; L27-L29 PolarHBondContact O-N 3.3Å; L27-L51 HydrophobicContact CD1-CD1 4.21Å; L27-L51 HydrophobicContact CD1-CD2 4.5Å
28N63.2Low62.2Low132 Ų13294.7 Ų94.771%0.70649%0.487SS*.  trans-7677171.1-77.6-10.4000109.4
29L68Low63.4Low86 Ų8693.4 Ų93.445%0.4548%0.476SS..  trans-95.8136.1174.9-60.8174.7000110.1L27 V31 V34 L51L27-L29 HydrophobicContact CB-CD1 4.12Å; L27-L29 HydrophobicContact CB-CG 3.87Å; L27-L29 HydrophobicContact CD1-CD1 4.29Å; L27-L29 PolarHBondContact O-N 3.3Å; L29-V31 PolarHBondContact O-N 3.24Å; L29-V34 HydrophobicContact CB-CG2 3.68Å; L29-V34 HydrophobicContact CD1-CG2 4.05Å; L29-V34 HydrophobicContact CG-CG2 4.34Å; L29-L51 HydrophobicContact CD1-CD2 4.26Å
30D72.9Confident64.5Low68 Ų6889.5 Ų89.536%0.36448%0.475SS..  trans-70.9106.3171-176.9-9000109E32 K33 V34D30-E32 PolarHBondContact O-N 3.18Å; D30-E32 PolarHBondContact OD1-N 3.16Å; D30-K33 HydrophobicContact CB-CB 4.17Å; D30-K33 HydrophobicContact CB-CD 3.99Å; D30-K33 HydrophobicContact CB-CG 4.14Å; D30-K33 WeakPolarHBondContact O-CB 3.5Å; D30-K33 PolarHBondContact O-N 3.22Å; D30-K33 VanDerWaalsContact OD2-CD 3.29Å; D30-K33 WeakPolarHBondContact OD2-CD 3.37Å; D30-K33 WeakPolarHBondContact OD2-CE 3.39Å; D30-K33 WeakPolarHBondContact OD2-CG 3.47Å; D30-K33 IonicContact OD2-NZ 2.61Å; D30-K33 PolarHBondContact OD2-NZ 2.97Å; D30-V34 WeakPolarHBondContact O-CG2 3.42Å; D30-V34 PolarHBondContact O-N 3.15Å
31V72.7Confident65.6Low41 Ų4193.2 Ų93.225%0.24848%0.484CS..Hα-helixtrans-56.7-38.1-172.7-1800000111.3M1 L29 K33 V34 C35M1-V31 HydrophobicContact CE-CB 3.71Å; M1-V31 HydrophobicContact CE-CG2 3.64Å; M1-V31 HydrophobicContact SD-CG2 4.17Å; L29-V31 PolarHBondContact O-N 3.24Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 2.95Å; V31-V34 PolarHBondContact O-N 3.34Å; V31-C35 VanDerWaalsContact O-CB 3.31Å; V31-C35 WeakPolarHBondContact O-CB 3.32Å; V31-C35 PolarHBondContact O-N 3.48Å; V31-C35 PolarHBondContact O-SG 3.05Å; V31-C35 VanDerWaalsContact O-SG 3.38Å
32E76.5Confident66.9Low154 Ų15488.6 Ų88.672%0.7247%0.465SS*.Hα-helixtrans-64.2-38.3179.7-64.7-175.7-179.800111.2D30 S36D30-E32 PolarHBondContact O-N 3.18Å; D30-E32 PolarHBondContact OD1-N 3.16Å; E32-S36 WeakPolarHBondContact O-CB 3.24Å; E32-S36 PolarHBondContact O-N 3.03Å
33K74.4Confident68Low99 Ų9987.8 Ų87.843%0.4346%0.461SS..Hα-helixtrans-73-39176.3-67.5-179-175.2153.20112.5D30 V31 S36 F39D30-K33 HydrophobicContact CB-CB 4.17Å; D30-K33 HydrophobicContact CB-CD 3.99Å; D30-K33 HydrophobicContact CB-CG 4.14Å; D30-K33 WeakPolarHBondContact O-CB 3.5Å; D30-K33 PolarHBondContact O-N 3.22Å; D30-K33 VanDerWaalsContact OD2-CD 3.29Å; D30-K33 WeakPolarHBondContact OD2-CD 3.37Å; D30-K33 WeakPolarHBondContact OD2-CE 3.39Å; D30-K33 WeakPolarHBondContact OD2-CG 3.47Å; D30-K33 IonicContact OD2-NZ 2.61Å; D30-K33 PolarHBondContact OD2-NZ 2.97Å; V31-K33 VanDerWaalsContact C-N 3.3Å; V31-K33 PolarHBondContact O-N 2.95Å; K33-S36 PolarHBondContact O-N 3.07Å; K33-F39 HydrophobicContact CB-CD2 4.35Å; K33-F39 HydrophobicContact CB-CE2 4.38Å; K33-F39 HydrophobicContact CB-CG 4.47Å; K33-F39 HydrophobicContact CD-CE1 4.36Å; K33-F39 HydrophobicContact CD-CZ 4.31Å; K33-F39 HydrophobicContact CG-CE1 4.37Å; K33-F39 HydrophobicContact CG-CE2 4.09Å; K33-F39 HydrophobicContact CG-CZ 3.99Å; K33-F39 WeakPolarHBondContact O-CB 3.33Å
34V73.6Confident69.1Low19 Ų1986.5 Ų86.512%0.11546%0.463CS..Hα-helixtrans-65.3-45.8178.4171.80000111L29 D30 V31 S36 S42 I49L29-V34 HydrophobicContact CB-CG2 3.68Å; L29-V34 HydrophobicContact CD1-CG2 4.05Å; L29-V34 HydrophobicContact CG-CG2 4.34Å; D30-V34 WeakPolarHBondContact O-CG2 3.42Å; D30-V34 PolarHBondContact O-N 3.15Å; V31-V34 PolarHBondContact O-N 3.34Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 3.15Å; V34-S42 WeakPolarHBondContact O-CB 3.45Å; V34-S42 PolarHBondContact O-N 3Å; V34-S42 PolarHBondContact O-OG 3.27Å; V34-I49 HydrophobicContact CG1-CD1 3.37Å; V34-I49 HydrophobicContact CG1-CG1 4.17Å
35C72.8Confident70.5Confident66 Ų6684.6 Ų84.645%0.44646%0.464SS..Hα-helixtrans-79.1-13.1-179.1-650000113V31V31-C35 VanDerWaalsContact O-CB 3.31Å; V31-C35 WeakPolarHBondContact O-CB 3.32Å; V31-C35 PolarHBondContact O-N 3.48Å; V31-C35 PolarHBondContact O-SG 3.05Å; V31-C35 VanDerWaalsContact O-SG 3.38Å
36S73Confident71.7Confident23 Ų2384.7 Ų84.716%0.16146%0.463CS..  trans-72.7125.2178.1175.10000110.6E32 K33 V34 N38 F39E32-S36 WeakPolarHBondContact O-CB 3.24Å; E32-S36 PolarHBondContact O-N 3.03Å; K33-S36 PolarHBondContact O-N 3.07Å; V34-S36 VanDerWaalsContact C-N 3.29Å; V34-S36 PolarHBondContact O-N 3.15Å; S36-N38 PolarHBondContact O-N 3.29Å; S36-N38 VanDerWaalsContact O-N 3.09Å; S36-N38 PolarHBondContact OG-N 3.07Å; S36-F39 PolarHBondContact O-N 3.45Å
37P73.4Confident72.3Confident91 Ų9187.7 Ų87.759%0.59148%0.476SS*.THydrogen-bonded Turntrans-63.6-17176.726.5-33.8000112.3F39 P44P37-F39 VanDerWaalsContact C-N 3.34Å; P37-F39 PolarHBondContact O-N 3.26Å; P37-P44 HydrophobicContact CB-CG 4.38Å
38N77.9Confident72.6Confident147 Ų14785.5 Ų85.579%0.78647%0.469SS*.THydrogen-bonded Turntrans-74.2-23.3-177.9-62.1-20.7000113.3S36S36-N38 PolarHBondContact O-N 3.29Å; S36-N38 VanDerWaalsContact O-N 3.09Å; S36-N38 PolarHBondContact OG-N 3.07Å
39F71.7Confident73Confident111 Ų11182.4 Ų82.449%0.48745%0.452SS..THydrogen-bonded Turntrans-96-14.2-177.3-71.1-93.6000113.3K33 S36 P37 Y41K33-F39 HydrophobicContact CB-CD2 4.35Å; K33-F39 HydrophobicContact CB-CE2 4.38Å; K33-F39 HydrophobicContact CB-CG 4.47Å; K33-F39 HydrophobicContact CD-CE1 4.36Å; K33-F39 HydrophobicContact CD-CZ 4.31Å; K33-F39 HydrophobicContact CG-CE1 4.37Å; K33-F39 HydrophobicContact CG-CE2 4.09Å; K33-F39 HydrophobicContact CG-CZ 3.99Å; K33-F39 WeakPolarHBondContact O-CB 3.33Å; S36-F39 PolarHBondContact O-N 3.45Å; P37-F39 VanDerWaalsContact C-N 3.34Å; P37-F39 PolarHBondContact O-N 3.26Å; F39-Y41 VanDerWaalsContact C-N 3.28Å; F39-Y41 HydrophobicContact CB-CD2 3.6Å; F39-Y41 HydrophobicContact CB-CE2 3.8Å; F39-Y41 HydrophobicContact CD1-CE2 4.37Å; F39-Y41 HydrophobicContact CG-CE2 4.44Å; F39-Y41 PolarHBondContact O-N 3.44Å
40G68.9Low73Confident57 Ų5783.3 Ų83.359%0.58846%0.461SS*.SBendtrans73.69.1175.300000115.8
41Y71Confident72.9Confident121 Ų12183.2 Ų83.248%0.47546%0.46SS..SBendtrans-73.7-42.5176-67.6-64.8000112.4F39 I49 T50F39-Y41 VanDerWaalsContact C-N 3.28Å; F39-Y41 HydrophobicContact CB-CD2 3.6Å; F39-Y41 HydrophobicContact CB-CE2 3.8Å; F39-Y41 HydrophobicContact CD1-CE2 4.37Å; F39-Y41 HydrophobicContact CG-CE2 4.44Å; F39-Y41 PolarHBondContact O-N 3.44Å; Y41-I49 WeakPolarHBondContact O-CA 3.5Å; Y41-I49 WeakPolarHBondContact O-CG1 3.45Å; Y41-T50 PolarHBondContact O-N 2.85Å
42S74.4Confident72.7Confident27 Ų2790.7 Ų90.719%0.18948%0.484CS..EExtended strand (participates in β ladder)trans-95.5146.7174.355.10000110.6V34 P44 A48V34-S42 WeakPolarHBondContact O-CB 3.45Å; V34-S42 PolarHBondContact O-N 3Å; V34-S42 PolarHBondContact O-OG 3.27Å; S42-P44 WeakPolarHBondContact O-CD 3.38Å; S42-A48 CarbonylContact C-O 3.58Å; S42-A48 WeakPolarHBondContact CA-O 3.43Å
43R70.3Confident72.2Confident136 Ų13688.6 Ų88.651%0.51348%0.477SS..EExtended strand (participates in β ladder)trans-111.499169.5-174.1175.4154.9-139.4-15.9107.6S45 D46 N47 A48R43-S45 WeakPolarHBondContact CG-OG 3.23Å; R43-S45 PolarHBondContact NE-OG 3.49Å; R43-S45 PolarHBondContact NH2-OG 2.67Å; R43-S45 PolarHBondContact O-N 3.09Å; R43-D46 WeakPolarHBondContact CB-OD1 3.39Å; R43-D46 VanDerWaalsContact CD-OD1 3.26Å; R43-D46 WeakPolarHBondContact CD-OD1 3.41Å; R43-D46 WeakPolarHBondContact CG-OD1 3.3Å; R43-D46 IonicContact CZ-OD1 3.74Å; R43-D46 IonicContact CZ-OD2 3.42Å; R43-D46 IonicContact NE-OD1 3.21Å; R43-D46 PolarHBondContact NE-OD1 3.02Å; R43-D46 IonicContact NE-OD2 3.55Å; R43-D46 IonicContact NH1-OD1 3.43Å; R43-D46 IonicContact NH1-OD2 3.77Å; R43-D46 PolarHBondContact NH1-OD2 3.46Å; R43-D46 IonicContact NH2-OD2 2.73Å; R43-D46 PolarHBondContact NH2-OD2 3Å; R43-D46 PolarHBondContact O-N 3.3Å; R43-N47 PolarHBondContact O-N 2.81Å; R43-N47 VanDerWaalsContact O-N 3.17Å; R43-A48 PolarHBondContact N-O 3.21Å; R43-A48 PolarHBondContact O-N 2.98Å
44P71.3Confident71.5Confident89 Ų8988.9 Ų88.958%0.57848%0.479SS*.THydrogen-bonded Turntrans-59.3-23.6-175.2-26.734.9000114.1P37 S42 D46P37-P44 HydrophobicContact CB-CG 4.38Å; S42-P44 WeakPolarHBondContact O-CD 3.38Å; P44-D46 VanDerWaalsContact C-N 3.28Å; P44-D46 PolarHBondContact O-N 3.4Å
45S78.6Confident71.2Confident92 Ų9298.1 Ų98.164%0.64351%0.512SS*.THydrogen-bonded Turntrans-65.9-27.4-177.863.80000114.5R43R43-S45 WeakPolarHBondContact CG-OG 3.23Å; R43-S45 PolarHBondContact NE-OG 3.49Å; R43-S45 PolarHBondContact NH2-OG 2.67Å; R43-S45 PolarHBondContact O-N 3.09Å
46D78.8Confident70.6Confident62 Ų6298.3 Ų98.333%0.33251%0.508SS..THydrogen-bonded Turntrans-135.615-175.359.2-15.6000112.9R43 P44 A48R43-D46 WeakPolarHBondContact CB-OD1 3.39Å; R43-D46 VanDerWaalsContact CD-OD1 3.26Å; R43-D46 WeakPolarHBondContact CD-OD1 3.41Å; R43-D46 WeakPolarHBondContact CG-OD1 3.3Å; R43-D46 IonicContact CZ-OD1 3.74Å; R43-D46 IonicContact CZ-OD2 3.42Å; R43-D46 IonicContact NE-OD1 3.21Å; R43-D46 PolarHBondContact NE-OD1 3.02Å; R43-D46 IonicContact NE-OD2 3.55Å; R43-D46 IonicContact NH1-OD1 3.43Å; R43-D46 IonicContact NH1-OD2 3.77Å; R43-D46 PolarHBondContact NH1-OD2 3.46Å; R43-D46 IonicContact NH2-OD2 2.73Å; R43-D46 PolarHBondContact NH2-OD2 3Å; R43-D46 PolarHBondContact O-N 3.3Å; P44-D46 VanDerWaalsContact C-N 3.28Å; P44-D46 PolarHBondContact O-N 3.4Å; D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 VanDerWaalsContact O-N 3.09Å
47N70.6Confident69.9Low141 Ų141105.1 Ų105.175%0.75453%0.532SS*.THydrogen-bonded Turntrans49.333.4-177.4-67.1-25.2000113.1R43R43-N47 PolarHBondContact O-N 2.81Å; R43-N47 VanDerWaalsContact O-N 3.17Å
48A71.3Confident69.2Low33 Ų33103.8 Ų103.827%0.27353%0.525SS..EExtended strand (participates in β ladder)trans-97.4147-178.900000111S42 R43 D46S42-A48 CarbonylContact C-O 3.58Å; S42-A48 WeakPolarHBondContact CA-O 3.43Å; R43-A48 PolarHBondContact N-O 3.21Å; R43-A48 PolarHBondContact O-N 2.98Å; D46-A48 PolarHBondContact O-N 3.24Å; D46-A48 VanDerWaalsContact O-N 3.09Å
49I71.8Confident68.5Low68 Ų68102.4 Ų102.435%0.34951%0.513SS..EExtended strand (participates in β ladder)trans-110.4135.8167.6-168.3176.4000108.8V34 Y41 L51V34-I49 HydrophobicContact CG1-CD1 3.37Å; V34-I49 HydrophobicContact CG1-CG1 4.17Å; Y41-I49 WeakPolarHBondContact O-CA 3.5Å; Y41-I49 WeakPolarHBondContact O-CG1 3.45Å; I49-L51 HydrophobicContact CD1-CD2 3.89Å; I49-L51 HydrophobicContact CD1-CG 4.34Å; I49-L51 HydrophobicContact CG1-CD2 4.21Å; I49-L51 HydrophobicContact CG1-CG 4.36Å; I49-L51 HydrophobicContact CG2-CG 4.39Å
50T67.6Low68Low104 Ų104100.7 Ų100.764%0.63851%0.508SS*.  trans-99.3113.9172.8-57.40000109Y41Y41-T50 PolarHBondContact O-N 2.85Å
51L69.4Low67.4Low66 Ų6698.9 Ų98.935%0.34649%0.485SS..  trans-108.6130.7174.4-62.6174000109.4V6 L27 L29 I49V6-L51 HydrophobicContact CG2-CD1 3.81Å; L27-L51 HydrophobicContact CD1-CD1 4.21Å; L27-L51 HydrophobicContact CD1-CD2 4.5Å; L29-L51 HydrophobicContact CD1-CD2 4.26Å; I49-L51 HydrophobicContact CD1-CD2 3.89Å; I49-L51 HydrophobicContact CD1-CG 4.34Å; I49-L51 HydrophobicContact CG1-CD2 4.21Å; I49-L51 HydrophobicContact CG1-CG 4.36Å; I49-L51 HydrophobicContact CG2-CG 4.39Å
52R68.5Low66.5Low198 Ų19895.5 Ų95.575%0.74748%0.478SS*.  trans-108.6107.8171.6-174.1174.2-176.5-112.9-4.8108.5E54R52-E54 HydrophobicContact CG-CG 4.29Å; R52-E54 VanDerWaalsContact CZ-CD 3.41Å; R52-E54 IonicContact CZ-OE1 2.74Å; R52-E54 IonicContact NE-OE1 3.26Å; R52-E54 IonicContact NH1-OE1 3.91Å; R52-E54 PolarHBondContact NH1-OE1 2.74Å; R52-E54 IonicContact NH1-OE2 3.09Å; R52-E54 PolarHBondContact NH1-OE2 2.82Å; R52-E54 IonicContact NH2-OE1 3.62Å; R52-E54 PolarHBondContact NH2-OE1 3.02Å
53I67.8Low65.6Low111 Ų11199.2 Ų99.257%0.56950%0.504SS*.  trans-95.7116.2175.8-56.8174.4000107.5
54E58.7Low65Low105 Ų10594.4 Ų94.449%0.49150%0.498SS..  trans-106.3126.2173.9-66.8-173.8122.300110R52 L56R52-E54 HydrophobicContact CG-CG 4.29Å; R52-E54 VanDerWaalsContact CZ-CD 3.41Å; R52-E54 IonicContact CZ-OE1 2.74Å; R52-E54 IonicContact NE-OE1 3.26Å; R52-E54 IonicContact NH1-OE1 3.91Å; R52-E54 PolarHBondContact NH1-OE1 2.74Å; R52-E54 IonicContact NH1-OE2 3.09Å; R52-E54 PolarHBondContact NH1-OE2 2.82Å; R52-E54 IonicContact NH2-OE1 3.62Å; R52-E54 PolarHBondContact NH2-OE1 3.02Å; E54-L56 HydrophobicContact CB-CG 4.49Å
55W66.9Low64.4Low212 Ų21298.4 Ų98.480%0.80351%0.514SS*.  trans-90.6107.1167.3-61.398000107.9
56L60.4Low63.3Low70 Ų7099 Ų9937%0.36650%0.503SS..  trans-101.5137.5175.1-65175.5000109.5E54 L61E54-L56 HydrophobicContact CB-CG 4.49Å; L56-L61 HydrophobicContact CB-CD2 3.93Å; L56-L61 HydrophobicContact CB-CG 4.08Å; L56-L61 HydrophobicContact CD1-CD2 3.71Å; L56-L61 HydrophobicContact CG-CD2 4.48Å
57Y58.8Low62.4Low166 Ų166103.1 Ų103.165%0.65152%0.52SS*.  trans-63.7141.7171-66.2-76.4000109.9H59 I60 L61Y57-H59 WeakPolarHBondContact CB-CE1 3.41Å; Y57-H59 WeakPolarHBondContact CB-ND1 3.31Å; Y57-H59 AromaticContact CG-CE1 3.68Å; Y57-H59 PolarHBondContact O-N 3.04Å; Y57-H59 VanDerWaalsContact O-N 3.12Å; Y57-I60 HydrophobicContact CD2-CD1 4.07Å; Y57-I60 WeakPolarHBondContact O-CB 3.47Å; Y57-I60 PolarHBondContact O-N 3.27Å; Y57-L61 PolarHBondContact O-N 3.28Å
58S59.6Low61.7Low63 Ų63103.4 Ų103.444%0.44152%0.522SS..Hα-helixtrans-55.1-33.4-177.9540000113.6I60 L61 C62S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.45Å; S58-L61 PolarHBondContact O-N 3.3Å; S58-C62 PolarHBondContact O-N 3.43Å; S58-C62 PolarHBondContact O-SG 3.07Å
59H63.1Low61.1Low119 Ų119107 Ų10755%0.55153%0.529SS*.Hα-helixtrans-68-27.4176.766.9-94.9000113.4Y57 S63Y57-H59 WeakPolarHBondContact CB-CE1 3.41Å; Y57-H59 WeakPolarHBondContact CB-ND1 3.31Å; Y57-H59 AromaticContact CG-CE1 3.68Å; Y57-H59 PolarHBondContact O-N 3.04Å; Y57-H59 VanDerWaalsContact O-N 3.12Å; H59-S63 PolarHBondContact O-OG 2.89Å
60I59.3Low60.8Low74 Ų74106.8 Ų106.838%0.37953%0.529SS..Hα-helixtrans-75.1-39.4175.9-58.1177.7000109.7Y57 S58 C62 S63Y57-I60 HydrophobicContact CD2-CD1 4.07Å; Y57-I60 WeakPolarHBondContact O-CB 3.47Å; Y57-I60 PolarHBondContact O-N 3.27Å; S58-I60 VanDerWaalsContact C-N 3.3Å; S58-I60 PolarHBondContact O-N 3.45Å; I60-C62 VanDerWaalsContact C-N 3.29Å; I60-C62 PolarHBondContact O-N 2.89Å; I60-S63 PolarHBondContact O-N 2.64Å; I60-S63 VanDerWaalsContact O-N 3.14Å
61L57Low60.6Low20 Ų20109.5 Ų109.511%0.10553%0.534CS..Hα-helixtrans-61.5-37.8177.8-66.4174.5000112L56 Y57 S58 S63 Y66 Y69 V73L56-L61 HydrophobicContact CB-CD2 3.93Å; L56-L61 HydrophobicContact CB-CG 4.08Å; L56-L61 HydrophobicContact CD1-CD2 3.71Å; L56-L61 HydrophobicContact CG-CD2 4.48Å; Y57-L61 PolarHBondContact O-N 3.28Å; S58-L61 PolarHBondContact O-N 3.3Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.48Å; L61-Y66 VanDerWaalsContact O-CB 3.31Å; L61-Y66 WeakPolarHBondContact O-CB 3.47Å; L61-Y69 HydrophobicContact CD1-CD1 4.3Å; L61-Y69 HydrophobicContact CD2-CD1 4.05Å; L61-Y69 HydrophobicContact CD2-CD2 4.39Å; L61-Y69 HydrophobicContact CD2-CE1 4.46Å; L61-Y69 HydrophobicContact CD2-CG 3.99Å; L61-V73 HydrophobicContact CB-CG2 4.49Å
62C52.4Low60.5Low49 Ų49110.3 Ų110.333%0.33154%0.538SS..THydrogen-bonded Turntrans-76.3-7.8177.9-64.40000114.9S58 I60S58-C62 PolarHBondContact O-N 3.43Å; S58-C62 PolarHBondContact O-SG 3.07Å; I60-C62 VanDerWaalsContact C-N 3.29Å; I60-C62 PolarHBondContact O-N 2.89Å
63S55.9Low60.5Low105 Ų105101.1 Ų101.173%0.73450%0.504SS*.THydrogen-bonded Turntrans-106.1-1.9-170.6-57.30000114.4H59 I60 L61H59-S63 PolarHBondContact O-OG 2.89Å; I60-S63 PolarHBondContact O-N 2.64Å; I60-S63 VanDerWaalsContact O-N 3.14Å; L61-S63 VanDerWaalsContact C-N 3.27Å; L61-S63 PolarHBondContact O-N 3.48Å
64G58.3Low60.6Low36 Ų3698.5 Ų98.537%0.37150%0.499SS..SBendtrans-120.7-168.7-177.900000113.8Y66G64-Y66 PolarHBondContact O-N 2.89Å
65D57.5Low61.3Low172 Ų17299.2 Ų99.292%0.9250%0.501SS*.SBendtrans-7132.2173.4-62.3-39.1000112.8Q67D65-Q67 PolarHBondContact O-N 3.49Å
66Y56.8Low61.7Low104 Ų10494.3 Ų94.341%0.40849%0.487SS..  trans-103.240.3-170.9-70.4-62.2000110.4L61 G64 N68 Y69L61-Y66 VanDerWaalsContact O-CB 3.31Å; L61-Y66 WeakPolarHBondContact O-CB 3.47Å; G64-Y66 PolarHBondContact O-N 2.89Å; Y66-N68 PolarHBondContact O-N 3.37Å; Y66-Y69 AromaticContact CD1-CD2 3.78Å; Y66-Y69 HydrophobicContact CD1-CD2 3.78Å; Y66-Y69 AromaticContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CE1-CE2 4.35Å; Y66-Y69 HydrophobicContact CG-CD2 4.07Å; Y66-Y69 HydrophobicContact CG-CE2 4.32Å; Y66-Y69 WeakPolarHBondContact O-CA 3.37Å; Y66-Y69 WeakPolarHBondContact O-CB 3.34Å; Y66-Y69 PolarHBondContact O-N 2.92Å
67Q58.2Low62.6Low149 Ų14998.4 Ų98.470%0.69650%0.497SS*.Hα-helixtrans-53.1-31.2-179.4-69.9-175.1-700113D65 Y69 D70D65-Q67 PolarHBondContact O-N 3.49Å; Q67-Y69 PolarHBondContact O-N 2.78Å; Q67-D70 WeakPolarHBondContact O-CB 3.05Å; Q67-D70 PolarHBondContact O-N 2.84Å; Q67-D70 VanDerWaalsContact O-N 3.11Å
68N55.8Low63.5Low147 Ų14797.8 Ų97.879%0.78650%0.495SS*.Hα-helixtrans-62.3-24.4175.5-62.2-24.1000113.3Y66Y66-N68 PolarHBondContact O-N 3.37Å
69Y60.4Low64.6Low108 Ų10897.3 Ų97.342%0.42449%0.487SS..Hα-helixtrans-90.6-15.7178.7-61-89.3000112.3L61 Y66 Q67 E71 L72 V73L61-Y69 HydrophobicContact CD1-CD1 4.3Å; L61-Y69 HydrophobicContact CD2-CD1 4.05Å; L61-Y69 HydrophobicContact CD2-CD2 4.39Å; L61-Y69 HydrophobicContact CD2-CE1 4.46Å; L61-Y69 HydrophobicContact CD2-CG 3.99Å; Y66-Y69 AromaticContact CD1-CD2 3.78Å; Y66-Y69 HydrophobicContact CD1-CD2 3.78Å; Y66-Y69 AromaticContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CD1-CE2 3.57Å; Y66-Y69 HydrophobicContact CE1-CE2 4.35Å; Y66-Y69 HydrophobicContact CG-CD2 4.07Å; Y66-Y69 HydrophobicContact CG-CE2 4.32Å; Y66-Y69 WeakPolarHBondContact O-CA 3.37Å; Y66-Y69 WeakPolarHBondContact O-CB 3.34Å; Y66-Y69 PolarHBondContact O-N 2.92Å; Q67-Y69 PolarHBondContact O-N 2.78Å; Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.12Å; Y69-L72 PolarHBondContact O-N 2.96Å; Y69-L72 VanDerWaalsContact O-N 3.13Å; Y69-V73 WeakPolarHBondContact O-CG2 3.31Å; Y69-V73 PolarHBondContact O-N 2.89Å
70D63.9Low65.6Low65 Ų6596.9 Ų96.935%0.34849%0.489SS..Hα-helixtrans-63.1-38.6176.9-70.4-27.6000111.2Q67 L72 V73 A74Q67-D70 WeakPolarHBondContact O-CB 3.05Å; Q67-D70 PolarHBondContact O-N 2.84Å; Q67-D70 VanDerWaalsContact O-N 3.11Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 2.92Å; D70-V73 PolarHBondContact O-N 2.86Å; D70-A74 WeakPolarHBondContact O-CB 3.33Å; D70-A74 PolarHBondContact O-N 2.73Å
71E65.1Low66.9Low160 Ų16098.9 Ų98.975%0.74850%0.499SS*.Hα-helixtrans-63.4-39.9173.5-68.2-172.117900111.9Y69 A74 K75Y69-E71 VanDerWaalsContact C-N 3.3Å; Y69-E71 PolarHBondContact O-N 3.12Å; E71-A74 PolarHBondContact O-N 3.22Å; E71-K75 VanDerWaalsContact O-CB 3.28Å; E71-K75 WeakPolarHBondContact O-CB 3.38Å; E71-K75 PolarHBondContact O-N 3.31Å
72L67.4Low68.2Low83 Ų83103.4 Ų103.444%0.43552%0.515SS..Hα-helixtrans-68.5-43179.1-170.7134000111.1Y69 D70 K75 Q76Y69-L72 PolarHBondContact O-N 2.96Å; Y69-L72 VanDerWaalsContact O-N 3.13Å; D70-L72 VanDerWaalsContact C-N 3.33Å; D70-L72 PolarHBondContact O-N 2.92Å; L72-K75 PolarHBondContact O-N 2.85Å; L72-Q76 HydrophobicContact CD2-CG 4.45Å; L72-Q76 WeakPolarHBondContact O-CB 3.37Å; L72-Q76 VanDerWaalsContact O-CG 3.31Å; L72-Q76 WeakPolarHBondContact O-CG 3.39Å; L72-Q76 PolarHBondContact O-N 2.91Å
73V67.9Low69.8Low5 Ų5104.4 Ų104.43%0.0352%0.517CS..Hα-helixtrans-65.5-41.9174.5175.20000110.7L61 Y69 D70 K75 Q76 R77L61-V73 HydrophobicContact CB-CG2 4.49Å; Y69-V73 WeakPolarHBondContact O-CG2 3.31Å; Y69-V73 PolarHBondContact O-N 2.89Å; D70-V73 PolarHBondContact O-N 2.86Å; V73-K75 PolarHBondContact O-N 3.49Å; V73-Q76 PolarHBondContact O-N 3.45Å; V73-R77 HydrophobicContact CG1-CG 4.4Å; V73-R77 WeakPolarHBondContact O-CB 3.31Å; V73-R77 VanDerWaalsContact O-CG 3.3Å; V73-R77 WeakPolarHBondContact O-CG 3.38Å; V73-R77 PolarHBondContact O-N 2.97Å
74A68.8Low71.2Confident56 Ų56102.9 Ų102.946%0.46350%0.5SS..Hα-helixtrans-61.6-43.2176.200000111.5D70 E71 R77 Y78D70-A74 WeakPolarHBondContact O-CB 3.33Å; D70-A74 PolarHBondContact O-N 2.73Å; E71-A74 PolarHBondContact O-N 3.22Å; A74-R77 PolarHBondContact O-N 3.41Å; A74-Y78 WeakPolarHBondContact O-CB 3.47Å; A74-Y78 PolarHBondContact O-N 3.4Å
75K73.9Confident72.6Confident121 Ų121105.6 Ų105.653%0.52651%0.506SS..Hα-helixtrans-66.3-41.4176.2-171.4175.5-177.1177.90112.1E71 L72 V73 Y78 N79E71-K75 VanDerWaalsContact O-CB 3.28Å; E71-K75 WeakPolarHBondContact O-CB 3.38Å; E71-K75 PolarHBondContact O-N 3.31Å; L72-K75 PolarHBondContact O-N 2.85Å; V73-K75 PolarHBondContact O-N 3.49Å; K75-Y78 PolarHBondContact O-N 2.94Å; K75-N79 WeakPolarHBondContact O-CB 3.39Å; K75-N79 VanDerWaalsContact O-CG 3.28Å; K75-N79 PolarHBondContact O-N 3.17Å; K75-N79 PolarHBondContact O-ND2 2.8Å
76Q76.2Confident73.9Confident108 Ų108100.9 Ų100.951%0.50548%0.481SS..Hα-helixtrans-60.9-45.3173.4-77.7178.6-11.700111.4L72 V73 N79 L80L72-Q76 HydrophobicContact CD2-CG 4.45Å; L72-Q76 WeakPolarHBondContact O-CB 3.37Å; L72-Q76 VanDerWaalsContact O-CG 3.31Å; L72-Q76 WeakPolarHBondContact O-CG 3.39Å; L72-Q76 PolarHBondContact O-N 2.91Å; V73-Q76 PolarHBondContact O-N 3.45Å; Q76-N79 PolarHBondContact O-N 3.16Å; Q76-L80 WeakPolarHBondContact O-CB 3.2Å; Q76-L80 PolarHBondContact O-N 3.03Å
77R77.7Confident75.4Confident157 Ų157102.3 Ų102.359%0.59249%0.489SS*.Hα-helixtrans-61.2-44.7174.9-74.9176.5177.4-1781.9111.7V73 A74 L80 L81V73-R77 HydrophobicContact CG1-CG 4.4Å; V73-R77 WeakPolarHBondContact O-CB 3.31Å; V73-R77 VanDerWaalsContact O-CG 3.3Å; V73-R77 WeakPolarHBondContact O-CG 3.38Å; V73-R77 PolarHBondContact O-N 2.97Å; A74-R77 PolarHBondContact O-N 3.41Å; R77-L80 PolarHBondContact O-N 3.32Å; R77-L81 WeakPolarHBondContact O-CB 3.24Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 2.93Å
78Y79.4Confident76.8Confident153 Ų15399.5 Ų99.560%0.648%0.479SS*.Hα-helixtrans-59.5-47.8176.7174.6-96.9000111.8A74 K75 L80 L81 R82A74-Y78 WeakPolarHBondContact O-CB 3.47Å; A74-Y78 PolarHBondContact O-N 3.4Å; K75-Y78 PolarHBondContact O-N 2.94Å; Y78-L80 PolarHBondContact O-N 2.83Å; Y78-L81 PolarHBondContact O-N 3.15Å; Y78-R82 WeakPolarHBondContact O-CB 3.16Å; Y78-R82 PolarHBondContact O-N 3.46Å
79N82.5Confident78.3Confident53 Ų5396.9 Ų96.928%0.28346%0.464SS..Hα-helixtrans-61.8-45.2177.9-71.7-21.5000111.5K75 Q76 L81 R82 D83K75-N79 WeakPolarHBondContact O-CB 3.39Å; K75-N79 VanDerWaalsContact O-CG 3.28Å; K75-N79 PolarHBondContact O-N 3.17Å; K75-N79 PolarHBondContact O-ND2 2.8Å; Q76-N79 PolarHBondContact O-N 3.16Å; N79-L81 PolarHBondContact O-N 2.93Å; N79-R82 WeakPolarHBondContact O-CB 3.28Å; N79-R82 PolarHBondContact O-N 3.49Å; N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 PolarHBondContact O-N 3.32Å
80L84.1Confident79.5Confident110 Ų11098.1 Ų98.158%0.57647%0.474SS*.Hα-helixtrans-61.5-44.7177.8-177.364.7000111.8Q76 R77 Y78 R82 D83 I84Q76-L80 WeakPolarHBondContact O-CB 3.2Å; Q76-L80 PolarHBondContact O-N 3.03Å; R77-L80 PolarHBondContact O-N 3.32Å; Y78-L80 PolarHBondContact O-N 2.83Å; L80-R82 VanDerWaalsContact C-N 3.34Å; L80-D83 PolarHBondContact O-N 2.89Å; L80-I84 HydrophobicContact CD1-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 4.01Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.26Å; L80-I84 PolarHBondContact O-N 2.87Å
81L85.4Confident80.4Confident116 Ų11699.8 Ų99.861%0.60748%0.483SS*.Hα-helixtrans-63.6-40176.9-75.1169.8000111.9R77 Y78 N79 I84 N85R77-L81 WeakPolarHBondContact O-CB 3.24Å; R77-L81 VanDerWaalsContact O-CG 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.48Å; R77-L81 PolarHBondContact O-N 2.93Å; Y78-L81 PolarHBondContact O-N 3.15Å; N79-L81 PolarHBondContact O-N 2.93Å; L81-I84 PolarHBondContact O-N 3.44Å; L81-N85 WeakPolarHBondContact O-CB 3.39Å; L81-N85 PolarHBondContact O-N 2.9Å
82R85.6Confident81.3Confident114 Ų11496.5 Ų96.543%0.4347%0.467SS..Hα-helixtrans-62-45.3174.6-174.8-172.467.4-174.1-1.6111.2Y78 N79 L80 N85 N86Y78-R82 WeakPolarHBondContact O-CB 3.16Å; Y78-R82 PolarHBondContact O-N 3.46Å; N79-R82 WeakPolarHBondContact O-CB 3.28Å; N79-R82 PolarHBondContact O-N 3.49Å; L80-R82 VanDerWaalsContact C-N 3.34Å; R82-N85 PolarHBondContact O-N 3.5Å; R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 2.95Å; R82-N86 PolarHBondContact O-OD1 2.92Å
83D85.1Confident82.1Confident71 Ų7198.1 Ų98.138%0.3847%0.473SS..Hα-helixtrans-67.6-37.4-179.5-64.8-9.1000111.5N79 L80 K87N79-D83 WeakPolarHBondContact O-CB 3.41Å; N79-D83 PolarHBondContact O-N 3.32Å; L80-D83 PolarHBondContact O-N 2.89Å; D83-K87 WeakPolarHBondContact O-CB 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.32Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.06Å
84I86Confident82.9Confident73 Ų73102 Ų10237%0.37449%0.493SS..Hα-helixtrans-61.7-49171.2-69.7165.3000110.2L80 L81 N86 K87 D88L80-I84 HydrophobicContact CD1-CD1 4.37Å; L80-I84 HydrophobicContact CG-CD1 4.01Å; L80-I84 VanDerWaalsContact O-CG1 3.24Å; L80-I84 WeakPolarHBondContact O-CG1 3.26Å; L80-I84 PolarHBondContact O-N 2.87Å; L81-I84 PolarHBondContact O-N 3.44Å; I84-N86 VanDerWaalsContact C-N 3.34Å; I84-N86 PolarHBondContact O-N 3.27Å; I84-K87 WeakPolarHBondContact O-CB 3.37Å; I84-K87 PolarHBondContact O-N 3.33Å; I84-K87 VanDerWaalsContact O-N 3.16Å; I84-D88 PolarHBondContact O-N 3.26Å
85N86.4Confident83.5Confident92 Ų92102.5 Ų102.549%0.49249%0.493SS..Hα-helixtrans-63-40.2-178.8-167.731.5000112.2L81 R82 D88 L89L81-N85 WeakPolarHBondContact O-CB 3.39Å; L81-N85 PolarHBondContact O-N 2.9Å; R82-N85 PolarHBondContact O-N 3.5Å; N85-D88 PolarHBondContact O-N 3.3Å; N85-L89 WeakPolarHBondContact O-CG 3.21Å; N85-L89 PolarHBondContact O-N 3.31Å
86N86.3Confident83.8Confident74 Ų74102 Ų10240%0.39649%0.491SS..Hα-helixtrans-61.9-44174.3-71-12.6000111.3R82 I84 D88 L89 E90R82-N86 WeakPolarHBondContact O-CB 3.44Å; R82-N86 PolarHBondContact O-N 2.95Å; R82-N86 PolarHBondContact O-OD1 2.92Å; I84-N86 VanDerWaalsContact C-N 3.34Å; I84-N86 PolarHBondContact O-N 3.27Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact O-N 3.12Å; N86-L89 PolarHBondContact O-N 3.35Å; N86-E90 WeakPolarHBondContact O-CG 3.47Å; N86-E90 PolarHBondContact O-N 3.21Å
87K87.9Confident83.9Confident134 Ų134100.7 Ų100.758%0.58349%0.487SS*.Hα-helixtrans-64.5-37.5175.6-75.9178.4177.4-177.20112.7D83 I84 E90 N91D83-K87 WeakPolarHBondContact O-CB 3.37Å; D83-K87 VanDerWaalsContact O-CG 3.32Å; D83-K87 WeakPolarHBondContact O-CG 3.41Å; D83-K87 PolarHBondContact O-N 3.06Å; I84-K87 WeakPolarHBondContact O-CB 3.37Å; I84-K87 PolarHBondContact O-N 3.33Å; I84-K87 VanDerWaalsContact O-N 3.16Å; K87-E90 PolarHBondContact O-N 3.15Å; K87-N91 WeakPolarHBondContact O-CB 3.45Å; K87-N91 VanDerWaalsContact O-CG 3.26Å; K87-N91 PolarHBondContact O-N 2.99Å; K87-N91 PolarHBondContact O-ND2 3.47Å
88D87.5Confident83.8Confident90 Ų9099.4 Ų99.448%0.48149%0.486SS..Hα-helixtrans-66-40176.6-73.2-20.6000111.2I84 N85 N86 N91 E92I84-D88 PolarHBondContact O-N 3.26Å; N85-D88 PolarHBondContact O-N 3.3Å; N86-D88 VanDerWaalsContact C-N 3.34Å; N86-D88 PolarHBondContact O-N 3.12Å; D88-N91 PolarHBondContact O-N 2.86Å; D88-E92 PolarHBondContact O-N 3.36Å
89L86.5Confident83.4Confident91 Ų9197.1 Ų97.148%0.47648%0.483SS..Hα-helixtrans-64.8-44.3173.3-73.8166.6000112.5N85 N86 N91 E92 H93N85-L89 WeakPolarHBondContact O-CG 3.21Å; N85-L89 PolarHBondContact O-N 3.31Å; N86-L89 PolarHBondContact O-N 3.35Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 2.95Å; L89-E92 PolarHBondContact O-N 2.82Å; L89-H93 WeakPolarHBondContact O-CB 3.45Å; L89-H93 PolarHBondContact O-N 3.35Å
90E86.2Confident82.4Confident134 Ų13499.4 Ų99.463%0.62650%0.495SS*.Hα-helixtrans-60-43.1174.5-75.1175-176.400111.3N86 K87 H93 L94N86-E90 WeakPolarHBondContact O-CG 3.47Å; N86-E90 PolarHBondContact O-N 3.21Å; K87-E90 PolarHBondContact O-N 3.15Å; E90-H93 PolarHBondContact O-N 3.37Å; E90-L94 WeakPolarHBondContact O-CB 3.17Å; E90-L94 PolarHBondContact O-N 3.26Å
91N82.5Confident81.2Confident100 Ų100100.9 Ų100.954%0.53550%0.499SS..Hα-helixtrans-63.8-41.6175.3-79.1-28000112.2K87 D88 L89 L94 S95K87-N91 WeakPolarHBondContact O-CB 3.45Å; K87-N91 VanDerWaalsContact O-CG 3.26Å; K87-N91 PolarHBondContact O-N 2.99Å; K87-N91 PolarHBondContact O-ND2 3.47Å; D88-N91 PolarHBondContact O-N 2.86Å; L89-N91 VanDerWaalsContact C-N 3.32Å; L89-N91 PolarHBondContact O-N 2.95Å; N91-L94 PolarHBondContact O-N 3.4Å; N91-S95 WeakPolarHBondContact O-CB 3.5Å; N91-S95 PolarHBondContact O-N 2.91Å; N91-S95 PolarHBondContact O-OG 3.16Å
92E85.1Confident79.9Confident91 Ų91100.3 Ų100.343%0.42550%0.5SS..Hα-helixtrans-62.1-46.6175.7-168.8-170.5157.200110.6D88 L89 L94 S95 K96D88-E92 PolarHBondContact O-N 3.36Å; L89-E92 PolarHBondContact O-N 2.82Å; E92-L94 PolarHBondContact O-N 2.89Å; E92-S95 PolarHBondContact O-N 2.97Å; E92-S95 PolarHBondContact O-OG 3.2Å; E92-K96 WeakPolarHBondContact O-CG 3.31Å; E92-K96 PolarHBondContact O-N 3.07Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.64Å; E92-K96 PolarHBondContact OE1-NZ 3.4Å
93H83.3Confident78.5Confident118 Ų11898.7 Ų98.755%0.54651%0.506SS..Hα-helixtrans-61.1-45.6177.4-174.6-101.4000111.9L89 E90 S95 K96 L97L89-H93 WeakPolarHBondContact O-CB 3.45Å; L89-H93 PolarHBondContact O-N 3.35Å; E90-H93 PolarHBondContact O-N 3.37Å; H93-S95 VanDerWaalsContact C-N 3.3Å; H93-S95 PolarHBondContact O-N 2.7Å; H93-K96 PolarHBondContact O-N 3.14Å; H93-L97 PolarHBondContact O-N 2.89Å
94L84.9Confident76.9Confident86 Ų86100.7 Ų100.745%0.4552%0.522SS..Hα-helixtrans-63.4-37.1177.1-165.169.4000111.9E90 N91 E92 L97 K98E90-L94 WeakPolarHBondContact O-CB 3.17Å; E90-L94 PolarHBondContact O-N 3.26Å; N91-L94 PolarHBondContact O-N 3.4Å; E92-L94 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.49Å; L94-K98 WeakPolarHBondContact O-CG 3.5Å; L94-K98 PolarHBondContact O-N 2.91Å
95S80.2Confident75.2Confident67 Ų67102 Ų10247%0.46954%0.537SS..Hα-helixtrans-66-37.7175.878.50000112.6N91 E92 H93 L99N91-S95 WeakPolarHBondContact O-CB 3.5Å; N91-S95 PolarHBondContact O-N 2.91Å; N91-S95 PolarHBondContact O-OG 3.16Å; E92-S95 PolarHBondContact O-N 2.97Å; E92-S95 PolarHBondContact O-OG 3.2Å; H93-S95 VanDerWaalsContact C-N 3.3Å; H93-S95 PolarHBondContact O-N 2.7Å; S95-L99 PolarHBondContact O-N 2.77Å
96K81.4Confident73.5Confident109 Ų109102.5 Ų102.547%0.47455%0.548SS..Hα-helixtrans-67.7-42.4175-71.4174.3-176.9169.30112E92 H93 L99 N100E92-K96 WeakPolarHBondContact O-CG 3.31Å; E92-K96 PolarHBondContact O-N 3.07Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.64Å; E92-K96 PolarHBondContact OE1-NZ 3.4Å; H93-K96 PolarHBondContact O-N 3.14Å; K96-L99 PolarHBondContact O-N 3.36Å; K96-N100 PolarHBondContact O-N 3.14Å
97L77.5Confident71.6Confident82 Ų82110.4 Ų110.443%0.42957%0.572SS.*Hα-helixtrans-62-43.8175.4-73.6175000112.1H93 L94 L99 N100 Q101H93-L97 PolarHBondContact O-N 2.89Å; L94-L97 PolarHBondContact O-N 3.49Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.27Å; L97-N100 PolarHBondContact O-N 2.61Å; L97-Q101 PolarHBondContact O-N 2.74Å
98K75.4Confident69.7Low130 Ų130112.6 Ų112.657%0.56558%0.584SS**Hα-helixtrans-61.6-39.6175.4-75.1-179.1178.4-177.90112.1L94 Q101 V102L94-K98 WeakPolarHBondContact O-CG 3.5Å; L94-K98 PolarHBondContact O-N 2.91Å; K98-Q101 PolarHBondContact O-N 3.42Å; K98-V102 WeakPolarHBondContact O-CG2 3.09Å; K98-V102 PolarHBondContact O-N 3.33Å; K98-V102 VanDerWaalsContact O-N 3.15Å
99L70.9Confident67.8Low105 Ų105116.2 Ų116.255%0.5560%0.604SS.*Hα-helixtrans-65.8-37.9176.9-172.465.2000112.3S95 K96 L97 V102 S103S95-L99 PolarHBondContact O-N 2.77Å; K96-L99 PolarHBondContact O-N 3.36Å; L97-L99 VanDerWaalsContact C-N 3.33Å; L97-L99 PolarHBondContact O-N 3.27Å; L99-V102 PolarHBondContact O-N 3.49Å; L99-S103 PolarHBondContact O-N 2.87Å; L99-S103 PolarHBondContact O-OG 2.88Å
100N61.5Low66Low101 Ų101120.4 Ų120.454%0.5462%0.621SS.*Hα-helixtrans-70.2-37.7177.5-70.9-13.7000112.2K96 L97 S103 T104K96-N100 PolarHBondContact O-N 3.14Å; L97-N100 PolarHBondContact O-N 2.61Å; N100-S103 PolarHBondContact O-N 3.34Å; N100-T104 PolarHBondContact O-N 3.48Å; N100-T104 PolarHBondContact O-OG1 3.4Å
101Q58.9Low64.1Low141 Ų141120.7 Ų120.766%0.65963%0.627SS**Hα-helixtrans-65.7-35.4174.3-82.6-174.4-10.300113.1L97 K98 S103L97-Q101 PolarHBondContact O-N 2.74Å; K98-Q101 PolarHBondContact O-N 3.42Å; Q101-S103 VanDerWaalsContact C-N 3.28Å
102V58.7Low62.6Low103 Ų103124.9 Ų124.962%0.62464%0.643SS**Hα-helixtrans-70.7-27.9174.8175.50000111.5K98 L99K98-V102 WeakPolarHBondContact O-CG2 3.09Å; K98-V102 PolarHBondContact O-N 3.33Å; K98-V102 VanDerWaalsContact O-N 3.15Å; L99-V102 PolarHBondContact O-N 3.49Å
103S56.2Low60.6Low80 Ų80130.9 Ų130.956%0.55967%0.667SS**Hα-helixtrans-81.5-22.3-178.2-57.20000113.7L99 N100 Q101L99-S103 PolarHBondContact O-N 2.87Å; L99-S103 PolarHBondContact O-OG 2.88Å; N100-S103 PolarHBondContact O-N 3.34Å; Q101-S103 VanDerWaalsContact C-N 3.28Å
104T50.7Low58.9Low114 Ų114128.6 Ų128.670%0.69968%0.676SS**Hα-helixtrans-97.5-11.5-17754.80000114.7N100N100-T104 PolarHBondContact O-N 3.48Å; N100-T104 PolarHBondContact O-OG1 3.4Å
105S52.2Low57.1Low100 Ų100134.3 Ų134.370%0.69970%0.697SS**SBendtrans-92.61.7177.965.70000114.8
106S49.6Very low55.2Low102 Ų102139.9 Ų139.971%0.71372%0.721SS**  trans-10127.8-174.1177.90000114.3
107R46.7Very low53.5Low240 Ų240140.2 Ų140.291%0.90674%0.737SS**  trans-117.415.2-174.5-105.7-173.9178.1-173.6-0.5117.1
108E48.5Very low51.9Low181 Ų181144.4 Ų144.485%0.84675%0.754SS**SBendtrans-139.582.9175.6-67-177.1172.100111.2
109N47.1Very low50.3Low165 Ų165142 Ų14288%0.88275%0.754SS**  trans171.879.2145-93.1-28.1000109.5
110E48.6Very low48.8Very low179 Ų179144.7 Ų144.784%0.83677%0.769SS**  trans-67.2148155.4-80.3-167.7144.800109.4
111N46.4Very low47.8Very low140 Ų140148.5 Ų148.575%0.74978%0.777SS**  trans89.284-176.5-50.8-41.9000113.8
112H50.6Low47Very low189 Ų189148.7 Ų148.788%0.87578%0.781SS**  -169.3104.6122.7-80.9-45.8000111.2G114H112-G114 PolarHBondContact O-N 2.85Å
113K44.2Very low46.2Very low217 Ų217154.1 Ų154.194%0.94380%0.796SS**  trans-17.4109.5150.8-138.7179.2-174.5-176.10113.7
114G46.6Very low45.5Very low70 Ų70160.2 Ų160.272%0.72281%0.807SS**  trans178.294.1174.900000116.1H112H112-G114 PolarHBondContact O-N 2.85Å
115K46.2Very low45Very low206 Ų206159 Ų15990%0.89680%0.802SS**  trans45105.8151.1-73.3179.1174.8179.30118.7S117K115-S117 PolarHBondContact O-N 3.42Å
116L41.7Very low44.5Very low184 Ų184159.4 Ų159.496%0.96381%0.805SS**  trans-40.4118155.6-61.1159.4000112
117S44.7Very low44Very low116 Ų116164.2 Ų164.281%0.81181%0.809SS**  trans-145.8123.4151.9-154.30000108.5K115K115-S117 PolarHBondContact O-N 3.42Å
118E45.6Very low43.8Very low169 Ų169160.5 Ų160.579%0.7981%0.806SS**  trans-56.2128.4-168.3-83.1156.4129.200114.9N120E118-N120 PolarHBondContact O-N 3.41Å
119S40.9Very low43.5Very low81 Ų81162 Ų16257%0.56681%0.805SS**  trans19.296.3139.558.80000118
120N39.4Very low43.2Very low161 Ų161162 Ų16286%0.86180%0.796SS**  trans-116.637163.7-88.6-49.7000112.2E118E118-N120 PolarHBondContact O-N 3.41Å
121Y40.7Very low42.7Very low181 Ų181157.9 Ų157.971%0.7179%0.788SS**  trans-121131.3173.7-8.3-78.8000105.7
122I42Very low42.5Very low145 Ų145156 Ų15674%0.74479%0.786SS**  trans91.949.5-172.4-39.8152.3000113.9R124I122-R124 HydrophobicContact CG2-CB 3.86Å; I122-R124 HydrophobicContact CG2-CG 4.12Å; I122-R124 PolarHBondContact O-N 3.33Å; I122-R124 VanDerWaalsContact O-N 3.16Å
123K41Very low41.7Very low217 Ų217153.3 Ų153.394%0.94377%0.773SS**  trans-7972.9137.7-100.7-179.21791750107.5S125K123-S125 PolarHBondContact O-N 3.17Å
124R42.5Very low41.5Very low208 Ų208151.2 Ų151.279%0.78577%0.771SS**  trans-58.8108.3168.3-125.8174.2-178.2161.2-0.5106I122 S126I122-R124 HydrophobicContact CG2-CB 3.86Å; I122-R124 HydrophobicContact CG2-CG 4.12Å; I122-R124 PolarHBondContact O-N 3.33Å; I122-R124 VanDerWaalsContact O-N 3.16Å; R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 2.79Å
125S39.2Very low41.2Very low87 Ų87156.1 Ų156.161%0.60878%0.779SS**  trans-49.194.5169.4161.10000109.3K123 Y127K123-S125 PolarHBondContact O-N 3.17Å; S125-Y127 PolarHBondContact O-N 3.08Å; S125-Y127 VanDerWaalsContact OG-CD2 3.28Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.29Å
126S42.8Very low40.5Very low109 Ų109150 Ų15076%0.76276%0.762SS**  trans-76.945.2171.149.80000110.9R124 L128R124-S126 VanDerWaalsContact C-N 3.31Å; R124-S126 PolarHBondContact O-N 2.79Å; S126-L128 VanDerWaalsContact C-N 3.26Å
127Y38.9Very low40Very low204 Ų204146.7 Ų146.780%0.876%0.755SS**  trans-99.651.6157.2-50.1-68.4000108S125 R129S125-Y127 PolarHBondContact O-N 3.08Å; S125-Y127 VanDerWaalsContact OG-CD2 3.28Å; S125-Y127 WeakPolarHBondContact OG-CD2 3.29Å; Y127-R129 PolarHBondContact O-N 2.8Å
128L41.7Very low39.5Very low161 Ų161146.3 Ų146.384%0.84375%0.75SS**  trans-6584.7152.9-75.3172000105.3S126 K130S126-L128 VanDerWaalsContact C-N 3.26Å; L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 3.26Å
129R43.4Very low38.9Very low214 Ų214148 Ų14881%0.80875%0.754SS**  trans-57.6100.9167.3-173-175.9-117179.4-2105Y127 S131Y127-R129 PolarHBondContact O-N 2.8Å; R129-S131 PolarHBondContact O-N 3.3Å; R129-S131 PolarHBondContact O-OG 3.2Å
130K39.3Very low38.7Very low163 Ų163148.1 Ų148.171%0.70976%0.756SS**  trans-53.388.2166.8-70.2-179.1172.4-169.70107.3L128 S132L128-K130 VanDerWaalsContact C-N 3.28Å; L128-K130 PolarHBondContact O-N 3.26Å; K130-S132 VanDerWaalsContact C-N 3.31Å
131S39.4Very low38.2Very low93 Ų93147.5 Ų147.565%0.6575%0.752SS**  trans-100.417.4179.8-45.60000110.8R129R129-S131 PolarHBondContact O-N 3.3Å; R129-S131 PolarHBondContact O-OG 3.2Å
132S41.3Very low37.8Very low102 Ų102148 Ų14871%0.71376%0.758SS**  trans-112.515.3-174.955.70000114K130K130-S132 VanDerWaalsContact C-N 3.31Å
133E35.1Very low37.3Very low131 Ų131149.1 Ų149.161%0.61276%0.76SS**  trans-11620.1-177.5-86.5-179.9-172.200115.4
134I38.9Very low36.7Very low173 Ų173146 Ų14689%0.88775%0.754SS**SBendtrans-100.510.4169.1-42.7179.5000111.9
135L40.7Very low36.1Very low173 Ų173141.3 Ų141.391%0.90675%0.753SS**SBendtrans-9943.5166.1-85.4155.1000110.8
136S30.5Very low36.1Very low77 Ų77145.9 Ų145.954%0.53876%0.762SS.*SBendtrans-165.794.9170.932.50000112.5
137S32.7Very low35.7Very low115 Ų115150.7 Ų150.780%0.80477%0.769SS**  trans78.5153.4147.874.20000119
138P34.1Very low35.7Very low109 Ų109148 Ų14871%0.70877%0.766SS**  cis-113.9142.910.333.1-17.1000114.4S140P138-S140 PolarHBondContact O-N 3.11Å
139K32.7Very low35.4Very low203 Ų203149.4 Ų149.488%0.88377%0.765SS**  trans-40.294.5143.3-75.3168.5169173.30108
140S36.1Very low35Very low85 Ų85145.7 Ų145.759%0.59477%0.767SS**  trans-85.712016262.30000106P138 F142P138-S140 PolarHBondContact O-N 3.11Å; S140-F142 PolarHBondContact O-N 2.8Å
141N28.4Very low34.8Very low148 Ų148143.7 Ų143.779%0.79177%0.768SS**  trans-61.895.9178.6-62.3-49.5000109.2Q143N141-Q143 PolarHBondContact O-N 3.04Å; N141-Q143 VanDerWaalsContact O-N 3.16Å
142F33.1Very low34.4Very low190 Ų190144.6 Ų144.683%0.83378%0.775SS**  trans-83.373.1153-79.4-79.4000107.6S140 D144S140-F142 PolarHBondContact O-N 2.8Å; F142-D144 PolarHBondContact O-N 3.48Å
143Q31.6Very low34.3Very low169 Ų169147.4 Ų147.479%0.7978%0.78SS**  trans-63.2119.9161.3-125.9-177.6000107.3N141 S145N141-Q143 PolarHBondContact O-N 3.04Å; N141-Q143 VanDerWaalsContact O-N 3.16Å; Q143-S145 PolarHBondContact O-N 2.79Å
144D28.3Very low34.3Very low153 Ų153149.9 Ų149.982%0.81879%0.791SS**SBendtrans15.799.8145.8-76.4-44.8000116.3F142F142-D144 PolarHBondContact O-N 3.48Å
145S30.4Very low34.1Very low108 Ų108152.6 Ų152.676%0.75579%0.79SS**  trans-167.657.5154.7-820000112.2Q143Q143-S145 PolarHBondContact O-N 2.79Å
146F38.4Very low33.9Very low183 Ų183150.5 Ų150.580%0.80379%0.788SS**  trans-111.973.4153.7-71.9-72.2000109.4M148F146-M148 HydrophobicContact CB-CE 4.4Å; F146-M148 HydrophobicContact CD1-CE 3.97Å; F146-M148 HydrophobicContact CG-CE 4.43Å; F146-M148 PolarHBondContact O-N 3.13Å
147K34.6Very low34.2Very low210 Ų210154 Ų15491%0.91380%0.798SS**  trans-63.588.1150.2-86.1-176.4174.8-174.90106.8K149K147-K149 VanDerWaalsContact C-N 3.34Å; K147-K149 PolarHBondContact O-N 3.44Å
148M39.7Very low34.4Very low147 Ų147153.8 Ų153.872%0.72480%0.797SS**  trans-60.3101.5165.6-78.6-71.8154.200107.3F146 T150F146-M148 HydrophobicContact CB-CE 4.4Å; F146-M148 HydrophobicContact CD1-CE 3.97Å; F146-M148 HydrophobicContact CG-CE 4.43Å; F146-M148 PolarHBondContact O-N 3.13Å; M148-T150 PolarHBondContact O-N 3.43Å
149K34Very low34.7Very low192 Ų192153.1 Ų153.184%0.83579%0.793SS**  trans-65.5101172.9-155172.2-175.7-178.10106.1K147 T151K147-K149 VanDerWaalsContact C-N 3.34Å; K147-K149 PolarHBondContact O-N 3.44Å; K149-T151 VanDerWaalsContact C-N 3.34Å; K149-T151 PolarHBondContact O-N 3.32Å
150T34.9Very low34.9Very low136 Ų136149.6 Ų149.683%0.83478%0.783SS**  trans-64.292.1171.2410000108.7M148 S152M148-T150 PolarHBondContact O-N 3.43Å; T150-S152 PolarHBondContact O-N 3.32Å
151T36.8Very low35Very low121 Ų121153.7 Ų153.774%0.74279%0.793SS**  trans-76.8107.5164.6340000108.6K149 I153K149-T151 VanDerWaalsContact C-N 3.34Å; K149-T151 PolarHBondContact O-N 3.32Å; T151-I153 PolarHBondContact O-N 3.45Å
152S29Very low35.3Very low112 Ų112150.8 Ų150.878%0.78378%0.784SS**  trans-61117.8172.361.10000110.2T150T150-S152 PolarHBondContact O-N 3.32Å
153I41.1Very low35.3Very low161 Ų161148 Ų14883%0.82678%0.783SS**  trans-109.8115.2160.5-61.2-179.9000106.8T151T151-I153 PolarHBondContact O-N 3.45Å
154Q34.2Very low35.4Very low182 Ų182150.7 Ų150.785%0.8579%0.788SS**PPolyproline II helixtrans-53.4132.8177.6-74.3167.7-18.700111.2
155R33.9Very low35.6Very low230 Ų230148 Ų14887%0.86878%0.781SS**PPolyproline II helixtrans-80.2148.5165.1-64.3178.8-174.5170.41109.8
156P37.7Very low35.9Very low130 Ų130146.7 Ų146.784%0.84478%0.784SS**PPolyproline II helixtrans-94.3131.1143.5-0.119.5000109.7
157I35.7Very low35.5Very low149 Ų149145.6 Ų145.676%0.76479%0.786SS**PPolyproline II helixtrans-75.3139.9-179-64.6150.1000109.8
158S38.2Very low35.1Very low112 Ų112140.2 Ų140.278%0.78378%0.775SS**  -175.8155.2125.6-92.80000114.2
159P39.4Very low34.7Very low94 Ų94140.4 Ų140.461%0.6178%0.778SS**  trans-118.1165.3-134.736.7-22000112.5
160N37.9Very low34.4Very low129 Ų129136.4 Ų136.469%0.6977%0.77SS**  168.7123.5123.4-84.9-21.9000112.2
161H37Very low34.1Very low171 Ų171137.6 Ų137.679%0.79277%0.772SS**  trans56.2138.5140.6-68.6-87.2000119.8
162S36.2Very low33.7Very low87 Ų87136.2 Ų136.261%0.60877%0.767SS**  cis-175.7138.6-3.446.60000108.9
163T31.9Very low33.8Very low131 Ų131136.3 Ų136.380%0.80477%0.765SS**  trans48.4107.7141550000120.9
164Y34.4Very low33.4Very low227 Ų227135.4 Ų135.489%0.8976%0.76SS**  -147.3126.7121.3-155.7-100.1000110.9
165S32.5Very low33.2Very low97 Ų97133.4 Ų133.468%0.67875%0.754SS**  trans-82.2145.5-17749.30000112.4
166G35.7Very low33.1Very low79 Ų79132.5 Ų132.581%0.81475%0.75SS**  trans-168.597.5168.900000111.3
167N30.1Very low32.8Very low160 Ų160133.9 Ų133.986%0.85675%0.745SS**  trans-76.9144-170.3-83.1-15.4000114.6
168S27.3Very low32.6Very low98 Ų98135.6 Ų135.669%0.68575%0.748SS**  trans74.9141.2130.1-146.90000121.8
169L29.9Very low32.2Very low150 Ų150136.7 Ų136.779%0.78574%0.744SS**  trans74.6136.2162.2-47.3174.3000114.6
170T29.1Very low32.2Very low109 Ų109136.8 Ų136.867%0.66974%0.743SS**  cis-177.9143.26.324.40000104.8
171N27.3Very low32Very low161 Ų161134.9 Ų134.986%0.86174%0.738SS**  trans36.897.6150.1-57.9-29.6000119.4
172S28.5Very low31.8Very low92 Ų92132 Ų13264%0.64374%0.737SS**  trans-167.5130.9144.8175.30000110.1I174S172-I174 VanDerWaalsContact C-N 3.29Å; S172-I174 PolarHBondContact O-N 3.14Å
173P32.7Very low31.5Very low114 Ų114134.2 Ų134.274%0.7475%0.746SS**  trans-72.693.416831.9-27.5000106.5I175P173-I175 PolarHBondContact O-N 2.94Å
174I31.6Very low31.6Very low142 Ų142134.8 Ų134.873%0.72874%0.743SS**  trans-6891.3165.1-61.8175.1000105.5S172 R176S172-I174 VanDerWaalsContact C-N 3.29Å; S172-I174 PolarHBondContact O-N 3.14Å; I174-R176 PolarHBondContact O-N 3.03Å
175I30.3Very low31.8Very low139 Ų139130.9 Ų130.971%0.71374%0.736SS**  trans-4898.5159-62.7167.5000104.8P173 Q177P173-I175 PolarHBondContact O-N 2.94Å; I175-Q177 PolarHBondContact O-N 3.27Å
176R32.6Very low32.1Very low211 Ų211133.1 Ų133.180%0.79674%0.74SS**  trans-63.396.3161.8-74.4-172.6-177.8-1361.3104.3I174 F178I174-R176 PolarHBondContact O-N 3.03Å; R176-F178 HydrophobicContact CB-CE2 4.48Å; R176-F178 WeakPolarHBondContact O-CD2 3.11Å; R176-F178 PolarHBondContact O-N 3.46Å
177Q30.8Very low31.7Very low159 Ų159136.6 Ų136.674%0.74374%0.741SS**  trans-51.295166.5-82.2174.8-23.200107.1I175 L179I175-Q177 PolarHBondContact O-N 3.27Å; Q177-L179 PolarHBondContact O-N 2.95Å
178F31.1Very low31.8Very low186 Ų186136 Ų13682%0.81674%0.737SS**  trans-68.792.7158.8-78.4-81000105.7R176 T180R176-F178 HydrophobicContact CB-CE2 4.48Å; R176-F178 WeakPolarHBondContact O-CD2 3.11Å; R176-F178 PolarHBondContact O-N 3.46Å; F178-T180 PolarHBondContact O-N 3.16Å
179L29.8Very low31.8Very low135 Ų135137 Ų13771%0.70774%0.739SS**  trans-62.178.5168.2-73.9152.9000108.4Q177Q177-L179 PolarHBondContact O-N 2.95Å
180T38.7Very low31.8Very low96 Ų96137.4 Ų137.459%0.58974%0.742SS**PPolyproline II helixtrans-69.2120.6154.751.20000106.6F178 S182F178-T180 PolarHBondContact O-N 3.16Å; T180-S182 PolarHBondContact O-N 3.49Å
181P34.1Very low31.8Very low88 Ų88138.7 Ų138.757%0.57174%0.744SS**PPolyproline II helixtrans-61.5138.4179.124.5-30.9000109.9V183P181-V183 PolarHBondContact O-N 3.21Å
182S32.6Very low31.8Very low112 Ų112135.8 Ų135.878%0.78374%0.737SS**PPolyproline II helixtrans-58.9124.2172.2-61.70000109.7T180 I184T180-S182 PolarHBondContact O-N 3.49Å; S182-I184 PolarHBondContact O-N 2.97Å
183V31.4Very low31.9Very low132 Ų132138.5 Ų138.580%0.874%0.744SS**  trans-78.2108.4171.1179.90000107.7P181 I185P181-V183 PolarHBondContact O-N 3.21Å; V183-I185 HydrophobicContact CG1-CG1 4.43Å
184I33.2Very low31.9Very low144 Ų144139.6 Ų139.674%0.73875%0.749SS**  trans-86.9115.9170-59.9173.6000107.1S182S182-I184 PolarHBondContact O-N 2.97Å
185I38.9Very low32.1Very low145 Ų145140.3 Ų140.374%0.74475%0.752SS**  trans-85.1112.3173.1-59.4171.9000106.6V183 N187V183-I185 HydrophobicContact CG1-CG1 4.43Å; I185-N187 PolarHBondContact O-N 2.73Å
186N38.3Very low32.3Very low143 Ų143141 Ų14177%0.76576%0.757SS**  trans-62.1129171.8-81.4-14.3000110.2N188N186-N188 PolarHBondContact O-N 3.42Å
187N28.2Very low32.5Very low153 Ų153137 Ų13782%0.81875%0.75SS**  trans-42.9102.6175.7-65.1-25.9000112.6I185I185-N187 PolarHBondContact O-N 2.73Å
188N30.8Very low32.8Very low146 Ų146136.7 Ų136.778%0.78175%0.754SS**  trans-119.894.1149.5-93.6-10.8000107.2N186 L190N186-N188 PolarHBondContact O-N 3.42Å; N188-L190 PolarHBondContact O-N 3.43Å
189T27.2Very low33.1Very low120 Ų120136.2 Ų136.274%0.73675%0.752SS**  trans-50.487.2148.614.40000107.6N191T189-N191 PolarHBondContact O-N 2.92Å
190L31.3Very low33.6Very low159 Ų159136.4 Ų136.483%0.83275%0.753SS**  trans-67.494.5153-100.4131.1000104.7N188 S192N188-L190 PolarHBondContact O-N 3.43Å; L190-S192 PolarHBondContact O-N 3.32Å; L190-S192 VanDerWaalsContact O-N 3.12Å
191N29.5Very low33.4Very low136 Ų136142.4 Ų142.473%0.72777%0.767SS**  trans-40.9120.8169.2-70.7-25.6000108.1T189T189-N191 PolarHBondContact O-N 2.92Å
192S27.4Very low33.3Very low100 Ų100145.9 Ų145.970%0.69978%0.78SS**SBendtrans-36.3140154.8-45.20000109.4L190L190-S192 PolarHBondContact O-N 3.32Å; L190-S192 VanDerWaalsContact O-N 3.12Å
193D28.9Very low33.3Very low149 Ų149147.7 Ų147.780%0.79778%0.78SS**  trans103.4117.6176-48.2-28.2000113.3
194T32.8Very low33.5Very low137 Ų137148 Ų14884%0.8478%0.777SS**  trans94.961.1166.5-13.60000118.4
195I35.5Very low33.4Very low156 Ų156148 Ų14880%0.878%0.779SS**  trans-132.4100142.5-57.6-178.4000109.1I197I195-I197 PolarHBondContact O-N 2.8Å
196N34.8Very low33.4Very low153 Ų153148 Ų14882%0.81878%0.78SS**  trans-63.9116.2166.4-154.9-1000107.6D198N196-D198 PolarHBondContact O-N 2.89Å; N196-D198 VanDerWaalsContact O-N 3.15Å
197I37.8Very low33.1Very low127 Ų127146.9 Ų146.965%0.65177%0.774SS**  trans-75.6100.8179.5-61.6170000107.2I195 K199I195-I197 PolarHBondContact O-N 2.8Å; I197-K199 VanDerWaalsContact C-N 3.26Å; I197-K199 HydrophobicContact CG2-CG 3.86Å; I197-K199 PolarHBondContact O-N 2.82Å
198D36.7Very low33.6Very low153 Ų153146.2 Ų146.282%0.81878%0.778SS**  trans-68.593.7157.5-89.5-29.2000108.5N196 N200N196-D198 PolarHBondContact O-N 2.89Å; N196-D198 VanDerWaalsContact O-N 3.15Å; D198-N200 PolarHBondContact O-N 2.94Å
199K37.4Very low34.1Very low177 Ų177143.1 Ų143.177%0.7777%0.768SS**  trans-6592.5169.2-64.9172.8-179.5171.70108.7I197I197-K199 VanDerWaalsContact C-N 3.26Å; I197-K199 HydrophobicContact CG2-CG 3.86Å; I197-K199 PolarHBondContact O-N 2.82Å
200N39.5Very low34.7Very low139 Ų139141.8 Ų141.874%0.74376%0.764SS**  trans-1566165.8-96.8-28.7000117.7D198D198-N200 PolarHBondContact O-N 2.94Å
201Y34.5Very low34.7Very low222 Ų222141 Ų14187%0.87176%0.76SS**  trans-135.175.1-179.4-67-81.9000112.2
202L33.6Very low35.1Very low161 Ų161140.9 Ų140.984%0.84376%0.755SS**  trans-161.371.1160.6-102.4156.4000108.2
203N31.2Very low35.4Very low149 Ų149146.2 Ų146.280%0.79776%0.762SS**  trans-120.185.1159.7-105.4-19.2000106.3
204L35.2Very low36Very low140 Ų140149.3 Ų149.373%0.73376%0.762SS**  trans-108.874.9162.6-90.6127.4000106.7
205N32.8Very low36Very low144 Ų144152.9 Ų152.977%0.7776%0.76SS**  trans-95.981.2156.6-76.5-31.7000105.7
206D38.1Very low36.6Very low143 Ų143156.4 Ų156.477%0.76576%0.763SS**  trans-117.1119.9168.4-78.4-41.1000109.4
207D32.9Very low36.8Very low121 Ų121157 Ų15765%0.64776%0.761SS**  trans-53.5137.1-171.4-166.132.4000113.9S209D207-S209 PolarHBondContact O-N 3.09Å; D207-S209 PolarHBondContact OD2-OG 3.33Å
208P38.3Very low36.6Very low138 Ų138156.2 Ų156.290%0.89677%0.767SS**THydrogen-bonded Turntrans-77.133-177.531.9-35.8000114.7
209S41.8Very low36.8Very low82 Ų82154 Ų15457%0.57376%0.763SS**THydrogen-bonded Turntrans-112.2-0.8-167.868.80000116.9D207D207-S209 PolarHBondContact O-N 3.09Å; D207-S209 PolarHBondContact OD2-OG 3.33Å
210S38.3Very low36.7Very low92 Ų92150.1 Ų150.164%0.64376%0.757SS**  trans-95.8106177.573.40000113.4Q212S210-Q212 VanDerWaalsContact C-N 3.32Å; S210-Q212 PolarHBondContact O-N 3.1Å
211N32.2Very low36.9Very low143 Ų143149.5 Ų149.577%0.76575%0.754SS**  trans-57.585167.9-77.7-48.8000111.6Y213N211-Y213 HydrophobicContact CB-CD2 4.35Å; N211-Y213 HydrophobicContact CB-CE2 4.35Å; N211-Y213 PolarHBondContact O-N 3.38Å; N211-Y213 VanDerWaalsContact O-N 3.15Å
212Q38.1Very low37.5Very low132 Ų132146.6 Ų146.662%0.61775%0.748SS**  trans-8189.2166.5-71.7-173.7-300109.5S210 W214S210-Q212 VanDerWaalsContact C-N 3.32Å; S210-Q212 PolarHBondContact O-N 3.1Å; Q212-W214 VanDerWaalsContact C-N 3.35Å; Q212-W214 VanDerWaalsContact O-CD1 3.31Å; Q212-W214 PolarHBondContact O-N 3.21Å
213Y34.1Very low38.1Very low213 Ų213145 Ų14584%0.83574%0.74SS**  trans-62.793.3165.2-84.4-90000109.7N211 R215N211-Y213 HydrophobicContact CB-CD2 4.35Å; N211-Y213 HydrophobicContact CB-CE2 4.35Å; N211-Y213 PolarHBondContact O-N 3.38Å; N211-Y213 VanDerWaalsContact O-N 3.15Å; Y213-R215 VanDerWaalsContact C-N 3.28Å; Y213-R215 PolarHBondContact O-N 3.35Å
214W39.7Very low39Very low214 Ų214145.3 Ų145.381%0.81175%0.747SS**  trans-71.788164.7-64.695.5000108.7Q212 R216Q212-W214 VanDerWaalsContact C-N 3.35Å; Q212-W214 VanDerWaalsContact O-CD1 3.31Å; Q212-W214 PolarHBondContact O-N 3.21Å; W214-R216 PolarHBondContact O-N 3.26Å
215R34.6Very low39.9Very low211 Ų211142.4 Ų142.480%0.79675%0.751SS**  trans-63102.5171.2-175.8176.2-77.8174.7-4.3108.3Y213 H217Y213-R215 VanDerWaalsContact C-N 3.28Å; Y213-R215 PolarHBondContact O-N 3.35Å; R215-H217 PolarHBondContact O-N 3.32Å; R215-H217 VanDerWaalsContact O-N 3.15Å
216R46.9Very low40.9Very low230 Ų230139.5 Ų139.587%0.86874%0.738SS**  trans-59.9111.9171.7-71.2-179.3164.3-135.4-2.3109.3W214 S218W214-R216 PolarHBondContact O-N 3.26Å; R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.78Å; R216-S218 VanDerWaalsContact O-N 3.16Å
217H38.4Very low41.8Very low166 Ų166138.7 Ų138.777%0.76974%0.744SS**  trans-82.477.3160.8-69.1-75.8000108.6R215 S219R215-H217 PolarHBondContact O-N 3.32Å; R215-H217 VanDerWaalsContact O-N 3.15Å; H217-S219 VanDerWaalsContact C-N 3.27Å; H217-S219 PolarHBondContact O-N 3.45Å
218S34.8Very low43.1Very low110 Ų110141.2 Ų141.277%0.76975%0.749SS**  trans-79.583.6158.452.20000107.7R216R216-S218 VanDerWaalsContact C-N 3.25Å; R216-S218 PolarHBondContact O-N 2.78Å; R216-S218 VanDerWaalsContact O-N 3.16Å
219S40.5Very low44.1Very low106 Ų106140.6 Ų140.674%0.74175%0.745SS**  trans-88.3106159.6690000108.1H217H217-S219 VanDerWaalsContact C-N 3.27Å; H217-S219 PolarHBondContact O-N 3.45Å
220C35.3Very low44.6Very low97 Ų97146.8 Ų146.866%0.65576%0.756SS**  trans-40.914215650.80000111.8
221L44.6Very low45.8Very low126 Ų126151 Ų15166%0.6677%0.766SS**  trans-171.698.7149-131.965000105.4
222E47.1Very low47.3Very low160 Ų160155.2 Ų155.275%0.74877%0.771SS**  49.9126.375.4-59.8-168.9170.500111.5
223D46.4Very low48.5Very low127 Ų127160.5 Ų160.568%0.67979%0.785SS**  trans84.755.7-175.6-58.6-23.9000118.1T226D223-T226 HydrophobicContact CB-CG2 4.29Å
224V49.5Very low50Low157 Ų157159.2 Ų159.295%0.95279%0.787SS**SBendtrans-87.5105.4150.4-172.30000107.2
225G53.4Low51.5Low78 Ų78156.6 Ų156.680%0.80479%0.788SS**SBendtrans130.92174.200000117.1
226T54Low53Low83 Ų83152.3 Ų152.351%0.50979%0.787SS.*  trans-98134.4176.272.50000111.4D223 K228D223-T226 HydrophobicContact CB-CG2 4.29Å; T226-K228 PolarHBondContact O-N 3.06Å
227S56.8Low54.1Low127 Ų127146.7 Ų146.789%0.88878%0.783SS**  trans-79.811.7-179.955.60000114
228K60.9Low55.5Low173 Ų173144.2 Ų144.275%0.75278%0.782SS**SBendtrans-91.1132.4-177-69.1-174.9179.2177.80110.5T226 R230T226-K228 PolarHBondContact O-N 3.06Å; K228-R230 PolarHBondContact O-N 3.45Å
229P58.4Low57.2Low126 Ų126144.5 Ų144.582%0.81878%0.781SS**PPolyproline II helixtrans-62.8121.8175.224.3-31.2000110.2Q231P229-Q231 PolarHBondContact O-N 3.17Å
230R53.1Low58.7Low211 Ų211144.9 Ų144.980%0.79678%0.781SS**PPolyproline II helixtrans-57.9122.1176.4-170.9179.9-169.8-178.45.7110.1K228 R232K228-R230 PolarHBondContact O-N 3.45Å; R230-R232 PolarHBondContact O-N 3.28Å; R230-R232 VanDerWaalsContact O-N 3.14Å
231Q63.3Low60.1Low182 Ų182145.7 Ų145.785%0.8579%0.785SS**  trans-61.7115.6165.3-96.9-178.9-24.200108.7P229 R233P229-Q231 PolarHBondContact O-N 3.17Å; Q231-R233 PolarHBondContact O-N 2.74Å; Q231-R233 VanDerWaalsContact O-N 3.07Å
232R63.6Low60.7Low231 Ų231145.6 Ų145.687%0.87279%0.792SS**  trans-61.6111.5172-80.6176.684.4-160.77.9108.3R230 Q234R230-R232 PolarHBondContact O-N 3.28Å; R230-R232 VanDerWaalsContact O-N 3.14Å; R232-Q234 PolarHBondContact O-N 3.34Å
233R63.5Low60.8Low242 Ų242143.6 Ų143.691%0.91380%0.796SS**PPolyproline II helixtrans-61.9119.9162.7-75.2-177.4150.1-152.4-6107.8Q231Q231-R233 PolarHBondContact O-N 2.74Å; Q231-R233 VanDerWaalsContact O-N 3.07Å
234Q65.8Low60.6Low186 Ų186142.3 Ų142.387%0.86980%0.797SS**PPolyproline II helixtrans-67.6134.8170.8-65.4-170.33.500108.6R232R232-Q234 PolarHBondContact O-N 3.34Å
235L70.1Confident60.4Low159 Ų159140.9 Ų140.983%0.83279%0.788SS**PPolyproline II helixtrans-64.9144.5169-69168.3000108.6S237L235-S237 PolarHBondContact O-N 2.9Å
236P67.2Low59.8Low121 Ų121145.4 Ų145.479%0.78679%0.794SS**PPolyproline II helixtrans-57.7137.6170.322.9-30.1000109.9
237S69.1Low59.2Low112 Ų112146.3 Ų146.378%0.78380%0.803SS**PPolyproline II helixtrans-64.6143.9177.5-43.30000110.5L235L235-S237 PolarHBondContact O-N 2.9Å
238P67.7Low58.3Low114 Ų114146 Ų14674%0.7480%0.801SS**PPolyproline II helixtrans-61.2147.3172.425.3-32.1000110.6
239P71.9Confident57.2Low117 Ų117143.3 Ų143.376%0.7680%0.804SS**PPolyproline II helixtrans-61.4147.6175.924.8-32.1000110.9
240P71.8Confident56Low114 Ų114142 Ų14274%0.7480%0.798SS**PPolyproline II helixtrans-62.1145.7176.925.3-32.3000110.6
241P64Low55.4Low114 Ų114140.6 Ų140.674%0.7480%0.803SS**PPolyproline II helixtrans-60.2147.4173.825.8-32.6000110.1S243P241-S243 PolarHBondContact O-N 3.49Å
242P58.3Low54.2Low124 Ų124140.9 Ų140.981%0.80580%0.801SS**PPolyproline II helixtrans-58.2130.7176.824.2-32000109.5S244P242-S244 PolarHBondContact O-N 3.31Å
243S48.3Very low53.3Low118 Ų118137.1 Ų137.183%0.82580%0.797SS**  trans-58.9101.6174.147.60000109.5P241 T245P241-S243 PolarHBondContact O-N 3.49Å; S243-T245 PolarHBondContact O-N 2.97Å
244S43.2Very low52Low100 Ų100131.6 Ų131.670%0.69979%0.792SS**  trans-71.4116.216747.60000108.2P242 L246P242-S244 PolarHBondContact O-N 3.31Å; S244-L246 PolarHBondContact O-N 3.38Å
245T44.4Very low50.9Low126 Ų126126.1 Ų126.177%0.77379%0.786SS**  trans-51.5105.1164.833.50000109.1S243 S247S243-T245 PolarHBondContact O-N 2.97Å; T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.41Å
246L40.1Very low49.2Very low174 Ų174126 Ų12691%0.91179%0.786SS**  trans-62.794.9162.8-91.396.9000107.9S244S244-L246 PolarHBondContact O-N 3.38Å
247S41.9Very low47.9Very low101 Ų101127.8 Ų127.871%0.70679%0.787SS**  trans-98.7106.3156.7-45.40000105.8T245 S249T245-S247 VanDerWaalsContact C-N 3.27Å; T245-S247 PolarHBondContact O-N 3.41Å; S247-S249 PolarHBondContact O-N 3.18Å
248S37.3Very low46.6Very low121 Ų121130.2 Ų130.285%0.84679%0.786SS**  trans-48.2116.517649.60000112.5
249S38.6Very low45.1Very low116 Ų116132.5 Ų132.581%0.81179%0.792SS**  trans-149.6120.4143.162.60000109S247S247-S249 PolarHBondContact O-N 3.18Å
250S33.8Very low43.4Very low99 Ų99134.6 Ų134.669%0.69280%0.796SS**  trans-74.8126.1-179.4179.60000109.3
251M38.9Very low41.8Very low182 Ų182134.2 Ų134.290%0.89780%0.796SS**  trans-117.798.6151.6-86.4-170.563.800107.5
252K39.1Very low40.4Very low187 Ų187134.5 Ų134.581%0.81380%0.797SS**PPolyproline II helixtrans-77.8120.8166.6-78.7177.7175-178.40108
253I43.7Very low39.5Very low153 Ų153136.8 Ų136.879%0.78580%0.8SS**PPolyproline II helixtrans-88.9120.2162-58.6173.8000106.3
254P37.3Very low38.9Very low125 Ų125137.6 Ų137.681%0.81280%0.795SS**PPolyproline II helixtrans-84.3124.1172.630.5-24.6000109.1
255G41.7Very low38.5Very low72 Ų72143.4 Ų143.474%0.74280%0.802SS**  trans-156.5109176.200000109
256D36.2Very low38Very low156 Ų156145.4 Ų145.483%0.83481%0.807SS**  trans-49.4143.1179.2-65.2-60.5000113.6
257I39.8Very low37.8Very low159 Ų159145.2 Ų145.282%0.81580%0.801SS**  169.1119.1117-80.4153.7000107.1N259I257-N259 PolarHBondContact O-N 3.02Å
258H40.1Very low37.1Very low162 Ų162145.7 Ų145.775%0.7580%0.8SS**  trans-48.2132168.7-78.4-76.7000112.1
259N37.8Very low36.9Very low162 Ų162146.6 Ų146.687%0.86679%0.794SS**  trans-158.6113.2134.3-93.5-22.7000109.6I257I257-N259 PolarHBondContact O-N 3.02Å
260N35Very low36.5Very low161 Ų161152 Ų15286%0.86180%0.797SS**  trans-72.6118.9169.6-71.3-25.6000109
261S37.7Very low36.6Very low106 Ų106152.9 Ų152.974%0.74180%0.798SS**  trans-153.2111.8139.865.60000110.5
262T36Very low36.2Very low121 Ų121149.2 Ų149.274%0.74279%0.79SS**  trans34.695.8143.3-27.40000117.6D264T262-D264 PolarHBondContact O-N 3.23Å
263I38.7Very low36.1Very low171 Ų171146.1 Ų146.188%0.87779%0.788SS**  trans-66.2109.3150.2-65.4166.8000106.8
264D36.7Very low35.7Very low136 Ų136146.2 Ų146.273%0.72779%0.789SS**  trans-128.2111.2158.3-114.6-29.7000109.8T262T262-D264 PolarHBondContact O-N 3.23Å
265R33Very low35.7Very low221 Ų221145.3 Ų145.383%0.83479%0.786SS**  trans4694149-111.9171.1173.8168.4-2.2118.2Q267R265-Q267 PolarHBondContact O-N 2.91Å; R265-Q267 VanDerWaalsContact O-N 3.09Å
266L35.8Very low35.4Very low168 Ų168146.7 Ų146.788%0.8878%0.784SS**  trans-54.4105.9148.6-68.1162.9000110.5
267Q34Very low35.6Very low170 Ų170145.5 Ų145.579%0.79479%0.785SS**  trans-127.197.2150.9-115.8-178.6-4.800107.7R265 I269R265-Q267 PolarHBondContact O-N 2.91Å; R265-Q267 VanDerWaalsContact O-N 3.09Å; Q267-I269 PolarHBondContact O-N 2.92Å
268T28.9Very low35.5Very low112 Ų112148.4 Ų148.469%0.68779%0.786SS**  trans-65.497.8174.4-56.90000109.7R270T268-R270 HydrophobicContact CG2-CG 3.9Å
269I32.9Very low35.6Very low139 Ų139148.5 Ų148.571%0.71379%0.791SS**  trans-95.198.7158.8-59.1178.2000106.5Q267 T271Q267-I269 PolarHBondContact O-N 2.92Å; I269-T271 HydrophobicContact CG2-CG2 4.28Å; I269-T271 PolarHBondContact O-N 3.28Å
270R29.2Very low35.7Very low229 Ų229145.3 Ų145.386%0.86478%0.782SS**  trans-74.399.3167-80.1177.4172.6-173.4-2.3108.2T268 S272T268-R270 HydrophobicContact CG2-CG 3.9Å; R270-S272 PolarHBondContact O-N 3.49Å
271T35.6Very low35.9Very low118 Ų118143.8 Ų143.872%0.72477%0.773SS**  trans-82.4107158.740.90000108.4I269 T273I269-T271 HydrophobicContact CG2-CG2 4.28Å; I269-T271 PolarHBondContact O-N 3.28Å; T271-T273 PolarHBondContact O-N 3.34Å
272S31.5Very low36Very low105 Ų105146.7 Ų146.773%0.73477%0.772SS**  trans-77.3103.4174.758.90000110.1R270R270-S272 PolarHBondContact O-N 3.49Å
273T36.9Very low36.2Very low123 Ų123147.6 Ų147.676%0.75577%0.772SS**  trans-103.698.5160.852.30000108.2T271 S275T271-T273 PolarHBondContact O-N 3.34Å; T273-S275 VanDerWaalsContact C-N 3.33Å; T273-S275 PolarHBondContact O-N 3.09Å
274N34.6Very low36.4Very low154 Ų154147 Ų14782%0.82477%0.766SS**  trans-65.191.1168.8-79.7-27.6000109.1
275S37.5Very low36.5Very low107 Ų107148.6 Ų148.675%0.74877%0.769SS**  trans-98.383166.6570000109.1T273T273-S275 VanDerWaalsContact C-N 3.33Å; T273-S275 PolarHBondContact O-N 3.09Å
276S35.1Very low37Very low100 Ų100142.5 Ų142.570%0.69976%0.76SS**  trans-70.9143157.1-60.70000108.4R278S276-R278 PolarHBondContact O-N 3.21Å
277P41.3Very low37.2Very low132 Ų132141.9 Ų141.986%0.85776%0.757SS**  trans-61.6109.9178.324.8-31.7000109
278R37.5Very low37.6Very low219 Ų219143.1 Ų143.183%0.82676%0.76SS**  trans-87.8112.8177.8-166.1178174.9167.1-1.3107.8S276 S280S276-R278 PolarHBondContact O-N 3.21Å; R278-S280 PolarHBondContact O-N 2.83Å
279L41.7Very low38.1Very low165 Ų165140.8 Ų140.886%0.86476%0.759SS**  trans-63.1112.3167.5-67.9168.4000107.7
280S39.7Very low38.3Very low95 Ų95145.1 Ų145.166%0.66477%0.768SS**  trans-103.6116.1172-177.90000108R278 K282R278-S280 PolarHBondContact O-N 2.83Å; S280-K282 PolarHBondContact O-N 2.83Å; S280-K282 VanDerWaalsContact O-N 3.08Å
281L39.2Very low38.7Very low128 Ų128143.8 Ų143.867%0.6777%0.769SS**  trans-69100.7164.3-71.9165000107.2
282K40.8Very low39Very low168 Ų168149.7 Ų149.773%0.7380%0.796SS**  trans-84.2112.6163.8-80.1-175.6171.8-175.60107.3S280 E284S280-K282 PolarHBondContact O-N 2.83Å; S280-K282 VanDerWaalsContact O-N 3.08Å; K282-E284 PolarHBondContact O-N 2.94Å; K282-E284 VanDerWaalsContact O-N 3.14Å
283N39Very low39.4Very low140 Ų140152 Ų15275%0.74980%0.799SS**  trans-68.6100.8160.3-89.516.9000107.1H285N283-H285 PolarHBondContact O-N 2.8Å
284E42.7Very low39.5Very low157 Ų157153.5 Ų153.573%0.73480%0.801SS**  trans-81.7100.1161.9-67.2-166.7171.600107.6K282 S286K282-E284 PolarHBondContact O-N 2.94Å; K282-E284 VanDerWaalsContact O-N 3.14Å; E284-S286 PolarHBondContact O-N 3.39Å
285H39.9Very low39.8Very low171 Ų171153.4 Ų153.479%0.79280%0.8SS**  trans-64.291.1159.3-88-88.4000107.1N283 D287N283-H285 PolarHBondContact O-N 2.8Å; H285-D287 PolarHBondContact O-N 3.02Å
286S42.7Very low39.9Very low92 Ų92156.2 Ų156.264%0.64380%0.803SS**  trans-77.4101.5164.4-67.70000107.5E284 F288E284-S286 PolarHBondContact O-N 3.39Å; S286-F288 PolarHBondContact O-N 2.96Å; S286-F288 VanDerWaalsContact O-N 3.1Å
287D40.6Very low40.2Very low156 Ų156159.7 Ų159.783%0.83481%0.81SS**  trans-55.4110.1165.1-84-31.9000108.5H285 G289H285-D287 PolarHBondContact O-N 3.02Å; D287-G289 PolarHBondContact O-N 3.34Å
288F42.1Very low40.1Very low195 Ų195161.5 Ų161.586%0.85581%0.807SS**  trans-67.4100.4164.8-99.1-92.5000107.7S286 Y290S286-F288 PolarHBondContact O-N 2.96Å; S286-F288 VanDerWaalsContact O-N 3.1Å; F288-Y290 PolarHBondContact O-N 3.29Å
289G40.1Very low40.3Very low64 Ų64157.4 Ų157.466%0.6681%0.805SS**  trans-60.9115.9168.300000110.2D287 F291D287-G289 PolarHBondContact O-N 3.34Å; G289-F291 PolarHBondContact O-N 3.01Å
290Y35.9Very low40.2Very low230 Ų230156.8 Ų156.890%0.90280%0.801SS**  trans-64.2122.8161.1-83.9-99.5000108.6F288F288-Y290 PolarHBondContact O-N 3.29Å
291F39.3Very low40.3Very low201 Ų201162 Ų16288%0.88281%0.812SS**  trans-104.2133.9152.7-87.6-85.6000107.5G289G289-F291 PolarHBondContact O-N 3.01Å
292N40.9Very low40.4Very low242 Ų242165.1 Ų165.1100%1.29483%0.825SS**  trans-41.30-177.4-71.7-31.6000115.4

Retrieved 292 of 292 residues in 38.1 ms (Link to these results)