A0A087WTP0_HUMAN Loading...

Post-GPI attachment to proteins phospholipase 3

AlphaFold DB , UniProt , Accession A0A087WTP0, Species HUMAN (Homo sapiens, Human), Gene PGAP3, Length 240 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
1M41.8Very low25.9Very low243 Ų243146.7 Ų146.7100%1.19785%0.846SS**  0122.10-75.6167.3162.400108.6
2K23.9Very low25.9Very low201 Ų201144.6 Ų144.687%0.87484%0.841SS**  trans-154.8134.1156.9-101.4-172.9177.3-1770105.6
3D24.6Very low25.8Very low163 Ų163143 Ų14387%0.87284%0.835SS**  trans-75.3136.7-161.9-52.5-82.1000112.5G5D3-G5 PolarHBondContact O-N 3.46Å
4V27.4Very low25.6Very low139 Ų139140.1 Ų140.184%0.84282%0.823SS**  trans-87.1104.6170.1179.90000107.1
5G24.2Very low25.8Very low51 Ų51139.5 Ų139.553%0.52683%0.827SS.*  trans-67.2162169.800000111.6D3 E7D3-G5 PolarHBondContact O-N 3.46Å; G5-E7 PolarHBondContact O-N 2.99Å
6P24.1Very low25.6Very low133 Ų133144 Ų14486%0.86483%0.825SS**  trans-63.5125.7-178.527.1-34000110.6S8P6-S8 PolarHBondContact O-N 2.78Å
7E24.5Very low25.8Very low186 Ų186139.5 Ų139.587%0.86980%0.803SS**  trans-62110.6171-67.2-171.3152.700109.1G5 C9G5-E7 PolarHBondContact O-N 2.99Å; E7-C9 PolarHBondContact O-N 3.05Å; E7-C9 VanDerWaalsContact O-N 3.14Å
8S24.8Very low25.9Very low113 Ų113135.8 Ų135.879%0.7979%0.786SS**  trans-64.9111.4170.354.80000108.9P6 G10P6-S8 PolarHBondContact O-N 2.78Å; S8-G10 PolarHBondContact O-N 3.28Å
9C23.4Very low26.1Very low128 Ų128134.2 Ų134.287%0.86578%0.78SS**PPolyproline II helixtrans-46.5125.5168.6-62.70000109.6E7E7-C9 PolarHBondContact O-N 3.05Å; E7-C9 VanDerWaalsContact O-N 3.14Å
10G24.1Very low26.4Very low72 Ų72129.5 Ų129.574%0.74276%0.758SS**PPolyproline II helixtrans-54.3138.5-168.300000113.5S8S8-G10 PolarHBondContact O-N 3.28Å
11Q21.8Very low26.8Very low185 Ų185126.3 Ų126.386%0.86474%0.738SS**PPolyproline II helixtrans-57.4135.6175.7-65.9174.7-63.700110.2T13Q11-T13 PolarHBondContact O-N 3.04Å
12P26.6Very low26.5Very low121 Ų121121.1 Ų121.179%0.78671%0.71SS**PPolyproline II helixtrans-66.2121.5172.727.1-32.9000109.7
13T24.2Very low26.9Very low124 Ų124114.5 Ų114.576%0.76169%0.69SS**PPolyproline II helixtrans-59.7125.4172.7-38.20000108.8Q11 C15Q11-T13 PolarHBondContact O-N 3.04Å; T13-C15 PolarHBondContact O-N 2.85Å
14P23.7Very low27.5Very low103 Ų103109.2 Ų109.267%0.66966%0.663SS**PPolyproline II helixtrans-67.5119.9-173.224.7-33.4000111.3W16P14-W16 PolarHBondContact O-N 3.27Å
15C27.8Very low28Very low130 Ų130104.4 Ų104.488%0.87863%0.632SS**  trans-70.670.7173-58.90000111.2T13T13-C15 PolarHBondContact O-N 2.85Å
16W22.3Very low28.5Very low212 Ų212103.8 Ų103.880%0.80363%0.626SS**PPolyproline II helixtrans-81.9148.5162.7-91.359.3000110.1P14 S18P14-W16 PolarHBondContact O-N 3.27Å; W16-S18 PolarHBondContact O-N 2.98Å
17P29.1Very low29.1Very low68 Ų68103.9 Ų103.944%0.44261%0.613SS.*PPolyproline II helixtrans-61.2132.4-175.525.8-34.2000110.3L21P17-L21 HydrophobicContact CB-CB 4.28Å; P17-L21 HydrophobicContact CB-CD2 3.69Å
18S28.9Very low29.7Very low72 Ų7295.9 Ų95.950%0.50358%0.579SS.*PPolyproline II helixtrans-56.3141.5171.1178.30000109.6W16 A20 L21W16-S18 PolarHBondContact O-N 2.98Å; S18-A20 PolarHBondContact O-N 3.24Å; S18-L21 VanDerWaalsContact O-CB 3.23Å; S18-L21 WeakPolarHBondContact O-CB 3.36Å; S18-L21 PolarHBondContact O-N 3.38Å
19P28.6Very low30.1Very low105 Ų10591.9 Ų91.968%0.68255%0.55SS**Hα-helixtrans-57.1-19.7178.519.8-32000113.9L21P19-L21 VanDerWaalsContact C-N 3.27Å; P19-L21 PolarHBondContact O-N 3.39Å
20A32.4Very low30.7Very low40 Ų4093.4 Ų93.433%0.33155%0.545SS..Hα-helixtrans-60.3-34.7169.700000113.2S18 S23S18-A20 PolarHBondContact O-N 3.24Å; A20-S23 PolarHBondContact O-N 3.2Å; A20-S23 PolarHBondContact O-OG 3.14Å
21L34.4Very low31.2Very low64 Ų6498.7 Ų98.734%0.33555%0.55SS..Hα-helixtrans-71.6-33-176.2-157.277.2000112.3P17 S18 P19 S23 V24 L25 L42P17-L21 HydrophobicContact CB-CB 4.28Å; P17-L21 HydrophobicContact CB-CD2 3.69Å; S18-L21 VanDerWaalsContact O-CB 3.23Å; S18-L21 WeakPolarHBondContact O-CB 3.36Å; S18-L21 PolarHBondContact O-N 3.38Å; P19-L21 VanDerWaalsContact C-N 3.27Å; P19-L21 PolarHBondContact O-N 3.39Å; L21-S23 VanDerWaalsContact C-N 3.28Å; L21-S23 PolarHBondContact O-N 3.33Å; L21-V24 PolarHBondContact O-N 3.24Å; L21-V24 VanDerWaalsContact O-N 3.12Å; L21-L25 HydrophobicContact CD2-CD1 4.25Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.78Å; L21-L42 HydrophobicContact CD2-CD1 3.89Å
22E34.8Very low31.7Very low133 Ų13393 Ų9362%0.62153%0.525SS*.Hα-helixtrans-60.3-39.3176.6-63.9-170.9148.500111.5V24 L25 G26E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.12Å; E22-L25 PolarHBondContact O-N 3.38Å; E22-G26 PolarHBondContact O-N 3.46Å
23S34Very low31.9Very low63 Ų6390.2 Ų90.244%0.44152%0.518SS..Hα-helixtrans-66.9-31.7176.984.90000113A20 L21 K27A20-S23 PolarHBondContact O-N 3.2Å; A20-S23 PolarHBondContact O-OG 3.14Å; L21-S23 VanDerWaalsContact C-N 3.28Å; L21-S23 PolarHBondContact O-N 3.33Å; S23-K27 WeakPolarHBondContact O-CB 3.23Å; S23-K27 WeakPolarHBondContact O-CD 3.49Å; S23-K27 VanDerWaalsContact O-CG 3.28Å; S23-K27 WeakPolarHBondContact O-CG 3.3Å; S23-K27 PolarHBondContact O-N 2.9Å
24V36.3Very low32.5Very low52 Ų5286.1 Ų86.132%0.31549%0.491SS..Hα-helixtrans-75.1-43.9177.21780000110.1L21 E22 K27 A28 L85L21-V24 PolarHBondContact O-N 3.24Å; L21-V24 VanDerWaalsContact O-N 3.12Å; E22-V24 VanDerWaalsContact C-N 3.31Å; E22-V24 PolarHBondContact O-N 3.12Å; V24-K27 PolarHBondContact O-N 2.81Å; V24-A28 WeakPolarHBondContact O-CB 3.06Å; V24-A28 PolarHBondContact O-N 3.18Å; V24-L85 HydrophobicContact CG1-CD1 4.32Å
25L38.7Very low33Very low37 Ų3786.8 Ų86.819%0.19449%0.486CS..Hα-helixtrans-63.6-41.2175.7-70.8167.4000111.8L21 E22 A28 S29 L40 L42 L119L21-L25 HydrophobicContact CD2-CD1 4.25Å; L21-L25 HydrophobicContact CG-CD1 4.21Å; L21-L25 WeakPolarHBondContact O-CG 3.47Å; L21-L25 PolarHBondContact O-N 2.78Å; E22-L25 PolarHBondContact O-N 3.38Å; L25-A28 PolarHBondContact O-N 2.86Å; L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.28Å; L25-S29 PolarHBondContact O-N 2.94Å; L25-L40 HydrophobicContact CB-CD1 4.42Å; L25-L40 HydrophobicContact CD2-CD1 4.47Å; L25-L42 HydrophobicContact CD2-CD1 4.28Å; L25-L119 HydrophobicContact CD2-CD1 4.43Å
26G34.6Very low33.3Very low38 Ų3886.9 Ų86.939%0.39249%0.488SS..Hα-helixtrans-62.5-43.1174.900000113.1E22 S29 Q30E22-G26 PolarHBondContact O-N 3.46Å; G26-S29 WeakPolarHBondContact O-CB 3.38Å; G26-S29 PolarHBondContact O-N 3.42Å; G26-Q30 PolarHBondContact O-N 3.2Å; G26-Q30 VanDerWaalsContact O-N 3.14Å
27K36.2Very low33.8Very low136 Ų13680.6 Ų80.659%0.59149%0.489SS*.Hα-helixtrans-68-41.1175.9-73.8170.2-176.91710112.4S23 V24 S29 Q30 H31S23-K27 WeakPolarHBondContact O-CB 3.23Å; S23-K27 WeakPolarHBondContact O-CD 3.49Å; S23-K27 VanDerWaalsContact O-CG 3.28Å; S23-K27 WeakPolarHBondContact O-CG 3.3Å; S23-K27 PolarHBondContact O-N 2.9Å; V24-K27 PolarHBondContact O-N 2.81Å; K27-S29 VanDerWaalsContact C-N 3.33Å; K27-Q30 PolarHBondContact O-N 3.34Å; K27-H31 PolarHBondContact O-N 2.82Å
28A37.7Very low33.9Very low18 Ų1879.6 Ų79.615%0.14948%0.478CS..Hα-helixtrans-62.4-41.3174.800000111.5V24 L25 Q30 H31 L32 L121V24-A28 WeakPolarHBondContact O-CB 3.06Å; V24-A28 PolarHBondContact O-N 3.18Å; L25-A28 PolarHBondContact O-N 2.86Å; A28-Q30 PolarHBondContact O-N 2.89Å; A28-H31 PolarHBondContact O-N 3.11Å; A28-L32 WeakPolarHBondContact O-CB 3.35Å; A28-L32 WeakPolarHBondContact O-CG 3.32Å; A28-L32 PolarHBondContact O-N 2.99Å; A28-L121 HydrophobicContact CB-CD1 3.86Å
29S33.5Very low34Very low28 Ų2879.2 Ų79.220%0.19647%0.474CS..Hα-helixtrans-58-47175.2-167.40000112.4L25 G26 K27 L32 G33 L34L25-S29 VanDerWaalsContact O-CB 3.32Å; L25-S29 WeakPolarHBondContact O-CB 3.28Å; L25-S29 PolarHBondContact O-N 2.94Å; G26-S29 WeakPolarHBondContact O-CB 3.38Å; G26-S29 PolarHBondContact O-N 3.42Å; K27-S29 VanDerWaalsContact C-N 3.33Å; S29-L32 PolarHBondContact O-N 3.37Å; S29-G33 PolarHBondContact O-N 2.88Å; S29-L34 PolarHBondContact O-N 3.3Å
30Q34.7Very low34.2Very low161 Ų16177 Ų7775%0.75246%0.456SS*.Hα-helixtrans-66-38.6176.3-73.8-178.3-20.900113.3G26 K27 A28 L32 G33G26-Q30 PolarHBondContact O-N 3.2Å; G26-Q30 VanDerWaalsContact O-N 3.14Å; K27-Q30 PolarHBondContact O-N 3.34Å; A28-Q30 PolarHBondContact O-N 2.89Å; Q30-L32 VanDerWaalsContact C-N 3.35Å; Q30-G33 PolarHBondContact O-N 3.37Å
31H34.1Very low34.3Very low182 Ų18280.7 Ų80.784%0.84346%0.462SS*.Hα-helixtrans-70-29.6177.4-106.87.3000113.6K27 A28 G33K27-H31 PolarHBondContact O-N 2.82Å; A28-H31 PolarHBondContact O-N 3.11Å; H31-G33 VanDerWaalsContact C-N 3.33Å
32L33.3Very low34.1Very low67 Ų6781 Ų8135%0.35146%0.464SS..THydrogen-bonded Turntrans-89.74.5176.7-67171.9000113.3A28 S29 Q30 L34 L121A28-L32 WeakPolarHBondContact O-CB 3.35Å; A28-L32 WeakPolarHBondContact O-CG 3.32Å; A28-L32 PolarHBondContact O-N 2.99Å; S29-L32 PolarHBondContact O-N 3.37Å; Q30-L32 VanDerWaalsContact C-N 3.35Å; L32-L34 HydrophobicContact CB-CD1 4.05Å; L32-L34 HydrophobicContact CB-CG 3.85Å; L32-L34 HydrophobicContact CD1-CD1 4.33Å; L32-L34 PolarHBondContact O-N 3.43Å; L32-L121 HydrophobicContact CD1-CB 3.94Å; L32-L121 HydrophobicContact CD1-CD1 3.48Å; L32-L121 VanDerWaalsContact CD1-CD1 3.48Å; L32-L121 HydrophobicContact CD1-CG 4.34Å
33G29.8Very low34.1Very low62 Ų6277.2 Ų77.264%0.63945%0.448SS*.THydrogen-bonded Turntrans62.325178.800000114.2S29 Q30 H31S29-G33 PolarHBondContact O-N 2.88Å; Q30-G33 PolarHBondContact O-N 3.37Å; H31-G33 VanDerWaalsContact C-N 3.33Å
34L37.2Very low34Very low37 Ų3778 Ų7819%0.19444%0.444CS..  trans-74.3132.8-175-62.3173.8000110.6S29 L32 Q38 L40S29-L34 PolarHBondContact O-N 3.3Å; L32-L34 HydrophobicContact CB-CD1 4.05Å; L32-L34 HydrophobicContact CB-CG 3.85Å; L32-L34 HydrophobicContact CD1-CD1 4.33Å; L32-L34 PolarHBondContact O-N 3.43Å; L34-Q38 VanDerWaalsContact CD2-OE1 3.28Å; L34-L40 HydrophobicContact CD1-CD2 3.56Å
35E34.5Very low33.8Very low118 Ų11876 Ų7655%0.55143%0.432SS*.  trans-71.2143.5-179.6-70168.7150.700110.1G37 Q38 K125E35-G37 PolarHBondContact O-N 2.87Å; E35-Q38 HydrophobicContact CB-CG 4.47Å; E35-Q38 PolarHBondContact O-N 3.42Å; E35-Q38 VanDerWaalsContact O-N 3.1Å; E35-K125 IonicContact OE1-NZ 2.63Å; E35-K125 IonicContact OE2-NZ 3.85Å; E35-K125 PolarHBondContact OE2-NZ 2.89Å
36S34.8Very low33.4Very low132 Ų13276.7 Ų76.792%0.92344%0.436SS*.THydrogen-bonded Turntrans-60.4113.1-176.860.70000111.1
37G31.8Very low33.3Very low79 Ų7980.6 Ų80.681%0.81444%0.439SS*.THydrogen-bonded Turntrans116.3-4.8-177.500000115.1E35E35-G37 PolarHBondContact O-N 2.87Å
38Q32.5Very low32.8Very low47 Ų4776.8 Ų76.822%0.2244%0.438CS..  trans-70131.9170.6-68.1-172.6-60.300111.1L34 E35 L40L34-Q38 VanDerWaalsContact CD2-OE1 3.28Å; E35-Q38 HydrophobicContact CB-CG 4.47Å; E35-Q38 PolarHBondContact O-N 3.42Å; E35-Q38 VanDerWaalsContact O-N 3.1Å; Q38-L40 PolarHBondContact O-N 3.14Å
39P30.7Very low32.3Very low65 Ų6577.7 Ų77.742%0.42245%0.449SS..  trans-73.1116.7-178.828.3-33.7000111.3Y41 A124P39-Y41 HydrophobicContact CB-CE2 3.97Å; P39-Y41 HydrophobicContact CG-CE2 3.9Å; P39-A124 HydrophobicContact CG-CB 4.35Å
40L31.9Very low32Very low58 Ų5883.4 Ų83.430%0.30448%0.483SS..  trans-82.6111.4169.9-70161.8000109L25 L34 Q38 L121L25-L40 HydrophobicContact CB-CD1 4.42Å; L25-L40 HydrophobicContact CD2-CD1 4.47Å; L34-L40 HydrophobicContact CD1-CD2 3.56Å; Q38-L40 PolarHBondContact O-N 3.14Å; L40-L121 HydrophobicContact CD2-CD1 4.14Å; L40-L121 HydrophobicContact CD2-CD2 3.78Å; L40-L121 HydrophobicContact CD2-CG 4.37Å
41Y33.8Very low31.5Very low117 Ų11783.4 Ų83.446%0.45948%0.483SS..  trans-84.4124.9173.7-66.5-82.1000110P39P39-Y41 HydrophobicContact CB-CE2 3.97Å; P39-Y41 HydrophobicContact CG-CE2 3.9Å
42L32.1Very low31.1Very low71 Ų7179.6 Ų79.637%0.37248%0.476SS..  trans-99.6104.2174.8-164.3127.4000108.6L21 L25 L119L21-L42 HydrophobicContact CD2-CD1 3.89Å; L25-L42 HydrophobicContact CD2-CD1 4.28Å; L42-L119 HydrophobicContact CB-CD1 4.48Å; L42-L119 HydrophobicContact CD1-CD1 3.46Å; L42-L119 VanDerWaalsContact CD1-CD1 3.46Å; L42-L119 HydrophobicContact CG-CD1 3.77Å
43L33.5Very low30.8Very low54 Ų5480 Ų8028%0.28349%0.489SS..  trans-82.9113.8170.8-109.684.4000110.1L45 V120L43-L45 HydrophobicContact CD2-CD2 4.15Å; L43-L45 PolarHBondContact O-N 3.44Å; L43-V120 HydrophobicContact CB-CB 4.39Å; L43-V120 HydrophobicContact CB-CG2 4.32Å
44E32.1Very low30.5Very low78 Ų7884.8 Ų84.836%0.36450%0.499SS..  trans-83.8106.4165.6179.1168.3169.100108.9W117E44-W117 HydrophobicContact CB-CZ3 4.31Å; E44-W117 HydrophobicContact CG-CE3 4.05Å; E44-W117 HydrophobicContact CG-CH2 4.04Å; E44-W117 HydrophobicContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact OE1-CH2 3.26Å; E44-W117 WeakPolarHBondContact OE1-CH2 3.13Å
45L31.7Very low30.1Very low11 Ų1185.5 Ų85.56%0.05851%0.507CS..  trans-99.5105.5172.7-69.6-173.2000110L43 W47 C63 C116 M118L43-L45 HydrophobicContact CD2-CD2 4.15Å; L43-L45 PolarHBondContact O-N 3.44Å; L45-W47 PolarHBondContact O-N 3.1Å; L45-C63 VanDerWaalsContact CD2-O 3.29Å; L45-C63 WeakPolarHBondContact CD2-O 3.26Å; L45-C116 VanDerWaalsContact O-O 3.08Å; L45-M118 HydrophobicContact CD1-CB 4.04Å; L45-M118 HydrophobicContact CD1-CE 3.35Å
46N31.7Very low29.5Very low52 Ų5286 Ų8628%0.27852%0.524SS..  trans-90.590.2-175.4-150.79.7000110.6G48 F64 W115N46-G48 VanDerWaalsContact C-N 3.32Å; N46-G48 PolarHBondContact O-N 3.37Å; N46-F64 HydrophobicContact CB-CD1 4.28Å; N46-F64 HydrophobicContact CB-CE1 3.61Å; N46-F64 HydrophobicContact CB-CZ 4.09Å; N46-W115 WeakPolarHBondContact OD1-CZ3 3.29Å
47W32.6Very low29.1Very low120 Ų12083.6 Ų83.646%0.45550%0.503SS..THydrogen-bonded Turntrans-72.580.7177.2-86.520000111.9L45 L70 W115 C116L45-W47 PolarHBondContact O-N 3.1Å; W47-L70 HydrophobicContact CZ2-CD1 4Å; W47-W115 VanDerWaalsContact O-CE3 3.29Å; W47-C116 HydrophobicContact CD2-CB 4.25Å; W47-C116 HydrophobicContact CE3-CB 4.01Å; W47-C116 HydrophobicContact CZ3-CB 4.44Å
48G25.3Very low28.8Very low55 Ų5583.3 Ų83.357%0.56750%0.5SS*.THydrogen-bonded Turntrans164.7-5.3171.900000117.7N46N46-G48 VanDerWaalsContact C-N 3.32Å; N46-G48 PolarHBondContact O-N 3.37Å
49G27.3Very low28.5Very low38 Ų3891.9 Ų91.939%0.39253%0.531SS..  trans-126144.5-176.600000114.1F64G49-F64 WeakPolarHBondContact O-CD1 3.47Å
50T26.5Very low28.3Very low147 Ų14792.7 Ų92.790%0.90254%0.535SS*.  trans-96.513.1177.841.60000113.9
51E24.4Very low28Very low161 Ų16192.2 Ų92.275%0.75254%0.539SS*.  trans-119.5122.2-171.9-63.9-169.8163.900112.1F64E51-F64 WeakPolarHBondContact O-CE1 3.4Å; E51-F64 WeakPolarHBondContact O-CE2 3.43Å; E51-F64 WeakPolarHBondContact O-CZ 3.45Å
52C26.5Very low27.8Very low102 Ų10288.2 Ų88.269%0.68953%0.53SS*.  trans-83.2114.5179.8-63.10000111.3F64C52-F64 HydrophobicContact CB-CD2 4.38Å
53A25.8Very low27.6Very low77 Ų7787.4 Ų87.464%0.63653%0.53SS*.PPolyproline II helixtrans-92.5116.8169.300000111.2
54L23.9Very low27.3Very low161 Ų16187.3 Ų87.384%0.84353%0.527SS*.BIsolated β-bridgetrans-85.5118.7168.9-90.2160.6000109.9S56L54-S56 PolarHBondContact O-N 3.37Å
55S28Very low27Very low53 Ų5386.8 Ų86.837%0.37153%0.527SS..PPolyproline II helixtrans-68.5125.5170.8177.50000110.4T57 G58S55-T57 PolarHBondContact O-N 3.22Å; S55-T57 PolarHBondContact OG-OG1 2.97Å; S55-T57 VanDerWaalsContact OG-OG1 3.1Å; S55-G58 PolarHBondContact O-N 3.42Å
56S23.4Very low26.7Very low128 Ų12889.6 Ų89.690%0.89555%0.545SS*.THydrogen-bonded Turntrans-66.9-3.8-176.656.30000114.9L54L54-S56 PolarHBondContact O-N 3.37Å
57T26.9Very low26.6Very low81 Ų8193.3 Ų93.350%0.49756%0.564SS.*THydrogen-bonded Turntrans-90.1-5.8179.760.40000114.1S55 R59S55-T57 PolarHBondContact O-N 3.22Å; S55-T57 PolarHBondContact OG-OG1 2.97Å; S55-T57 VanDerWaalsContact OG-OG1 3.1Å; T57-R59 PolarHBondContact O-N 3.29Å; T57-R59 VanDerWaalsContact O-N 3.07Å
58G24.5Very low26.4Very low73 Ų7393 Ų9375%0.75358%0.58SS**SBendtrans64.811.6173.900000115.7S55S55-G58 PolarHBondContact O-N 3.42Å
59R25.6Very low26.6Very low228 Ų22895.3 Ų95.386%0.8658%0.579SS**SBendtrans-117.8-4.7-176.3-69.7-176.5-179.1-168.70114.8T57T57-R59 PolarHBondContact O-N 3.29Å; T57-R59 VanDerWaalsContact O-N 3.07Å
60T27.9Very low26.7Very low82 Ų8295.9 Ų95.950%0.50357%0.573SS.*  trans-138.1129.5175.2270000110
61A25.4Very low26.8Very low47 Ų4792 Ų9239%0.38855%0.55SS..BIsolated β-bridgetrans-120.9114.217500000109
62A28.8Very low27.3Very low34 Ų3491.7 Ų91.728%0.28156%0.559SS.*  trans-85.7107.217000000108.7F64A62-F64 HydrophobicContact CB-CE2 4.09Å
63C27.3Very low27.6Very low54 Ų5489.4 Ų89.437%0.36554%0.544SS..  trans-88.6106.2176.7-730000110.1L45 L65L45-C63 VanDerWaalsContact CD2-O 3.29Å; L45-C63 WeakPolarHBondContact CD2-O 3.26Å; C63-L65 PolarHBondContact O-N 2.91Å; C63-L65 VanDerWaalsContact O-N 3.17Å
64F27.3Very low27.9Very low51 Ų5188.8 Ų88.822%0.22453%0.534CS..  trans-74.6103.1173.5-69.4-106.3000109.4N46 G49 E51 C52 A62N46-F64 HydrophobicContact CB-CD1 4.28Å; N46-F64 HydrophobicContact CB-CE1 3.61Å; N46-F64 HydrophobicContact CB-CZ 4.09Å; G49-F64 WeakPolarHBondContact O-CD1 3.47Å; E51-F64 WeakPolarHBondContact O-CE1 3.4Å; E51-F64 WeakPolarHBondContact O-CE2 3.43Å; E51-F64 WeakPolarHBondContact O-CZ 3.45Å; C52-F64 HydrophobicContact CB-CD2 4.38Å; A62-F64 HydrophobicContact CB-CE2 4.09Å
65L26.6Very low28.2Very low68 Ų6884.4 Ų84.436%0.35652%0.521SS..  trans-81.9126.3172.7-85.9161.7000110.2C63 I67 L70C63-L65 PolarHBondContact O-N 2.91Å; C63-L65 VanDerWaalsContact O-N 3.17Å; L65-I67 PolarHBondContact O-N 3.26Å; L65-L70 HydrophobicContact CD1-CD2 4.3Å
66P24.6Very low28.3Very low69 Ų6985.3 Ų85.345%0.44853%0.531SS..  trans-57131.7171.9-24.433.8000111.1S68 L69P66-S68 PolarHBondContact O-N 3.33Å; P66-L69 HydrophobicContact CB-CD1 4.37Å; P66-L69 HydrophobicContact CG-CD1 4.19Å; P66-L69 PolarHBondContact O-N 3.48Å
67I30.4Very low28.7Very low131 Ų13185.1 Ų85.167%0.67251%0.511SS*.G310 helixtrans-52.7-27.8179.6-65.8168.6000112L65 L69L65-I67 PolarHBondContact O-N 3.26Å; I67-L69 PolarHBondContact O-N 3.02Å
68S27.6Very low28.9Very low112 Ų11283.3 Ų83.378%0.78350%0.498SS*.G310 helixtrans-72.1-0.9177.245.50000116.2P66P66-S68 PolarHBondContact O-N 3.33Å
69L30Very low29.1Very low105 Ų10581.3 Ų81.355%0.5548%0.478SS..G310 helixtrans-116.9-4.4-178.2-74.3168.6000114.8P66 I67P66-L69 HydrophobicContact CB-CD1 4.37Å; P66-L69 HydrophobicContact CG-CD1 4.19Å; P66-L69 PolarHBondContact O-N 3.48Å; I67-L69 PolarHBondContact O-N 3.02Å
70L30.7Very low29.2Very low50 Ų5077 Ų7726%0.26248%0.479SS..  trans-94.8118.3179.1-68.9169.5000110.5W47 L65W47-L70 HydrophobicContact CZ2-CD1 4Å; L65-L70 HydrophobicContact CD1-CD2 4.3Å
71P28.5Very low29.3Very low64 Ų6479.4 Ų79.442%0.41649%0.485SS..  trans-67.6159.8168.729.5-33000110.6S73 W77P71-S73 PolarHBondContact O-N 3.06Å; P71-W77 VanDerWaalsContact CG-CD1 3.49Å
72T34.9Very low29.5Very low156 Ų15678.6 Ų78.696%0.95748%0.478SS*.SBendtrans-66.514.5-166.547.10000116.9
73S32.3Very low29.6Very low53 Ų5382 Ų8237%0.37149%0.491SS..  trans-147.1117.5178.11790000111.9P71 A75 A76P71-S73 PolarHBondContact O-N 3.06Å; S73-A75 PolarHBondContact O-N 3.3Å; S73-A76 WeakPolarHBondContact O-CB 3.4Å; S73-A76 PolarHBondContact O-N 3.46Å; S73-A76 VanDerWaalsContact O-N 3.11Å
74P31Very low29.7Very low64 Ų6483 Ų8342%0.41650%0.497SS..G310 helixtrans-57.2-33173.7-2635.2000113.7A76 W77 M118P74-A76 PolarHBondContact O-N 3.02Å; P74-W77 PolarHBondContact O-N 3.35Å; P74-M118 HydrophobicContact CB-SD 4.01Å
75A30.3Very low29.8Very low69 Ų6983.6 Ų83.657%0.5750%0.503SS*.G310 helixtrans-67.1-18.6179.400000113.5S73 W77S73-A75 PolarHBondContact O-N 3.3Å; A75-W77 VanDerWaalsContact C-N 3.3Å; A75-W77 PolarHBondContact O-N 3.1Å
76A30Very low29.9Very low72 Ų7284.9 Ų84.960%0.59552%0.515SS*.G310 helixtrans-77.4-13.5179.100000113.8S73 P74S73-A76 WeakPolarHBondContact O-CB 3.4Å; S73-A76 PolarHBondContact O-N 3.46Å; S73-A76 VanDerWaalsContact O-N 3.11Å; P74-A76 PolarHBondContact O-N 3.02Å
77W31.6Very low30.1Very low125 Ų12583.1 Ų83.147%0.47351%0.51SS..THydrogen-bonded Turntrans-114.8-32.1-173.7-9554.4000114.6P71 P74 A75P71-W77 VanDerWaalsContact CG-CD1 3.49Å; P74-W77 PolarHBondContact O-N 3.35Å; A75-W77 VanDerWaalsContact C-N 3.3Å; A75-W77 PolarHBondContact O-N 3.1Å
78L31.9Very low29.9Very low43 Ų4387 Ų8723%0.22552%0.516CS..SBendtrans-106.14.7-169.5-62176.7000114A82 M118 V120L78-A82 HydrophobicContact CB-CB 3.34Å; L78-A82 HydrophobicContact CD1-CB 3.92Å; L78-A82 HydrophobicContact CG-CB 4.3Å; L78-M118 HydrophobicContact CD1-CE 3.65Å; L78-M118 HydrophobicContact CD1-CG 4.32Å; L78-M118 HydrophobicContact CD1-SD 3.71Å; L78-V120 HydrophobicContact CD1-CG1 4.24Å; L78-V120 HydrophobicContact CD1-CG2 3.65Å; L78-V120 HydrophobicContact CD2-CG1 3.68Å; L78-V120 HydrophobicContact CD2-CG2 4.18Å
79G28.7Very low29.9Very low31 Ų3185.3 Ų85.332%0.3250%0.502SS..  trans71.9179.6-172.700000113.2E81G79-E81 PolarHBondContact O-N 3.03Å
80P28.1Very low29.8Very low136 Ų13684.2 Ų84.288%0.88352%0.516SS*.THydrogen-bonded Turntrans-72.5-10.5-173.728.8-35.1000114.8
81E29.1Very low29.5Very low133 Ų13386.1 Ų86.162%0.62153%0.53SS*.THydrogen-bonded Turntrans-94.43.7-175.1-60.4-175.3166.800113.6G79 L83G79-E81 PolarHBondContact O-N 3.03Å; E81-L83 PolarHBondContact O-N 3.44Å
82A29.9Very low29.4Very low30 Ų3090.3 Ų90.325%0.24855%0.554CS.*  trans-79.3111.3-17600000113.1L78L78-A82 HydrophobicContact CB-CB 3.34Å; L78-A82 HydrophobicContact CD1-CB 3.92Å; L78-A82 HydrophobicContact CG-CB 4.3Å
83L29.9Very low28.9Very low107 Ų10785.7 Ų85.756%0.5654%0.538SS*.  trans-92.4106.1-178.8-144.687.4000112.2E81 L85E81-L83 PolarHBondContact O-N 3.44Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å
84C31.1Very low28.7Very low73 Ų7390.1 Ų90.149%0.49356%0.557SS.*  trans-79.1119.8171.6-67.40000110.6
85L29.4Very low28.3Very low64 Ų6497.8 Ų97.834%0.33558%0.577SS.*  trans-104.2127.3176.3-68.7177000110.8V24 L83 G87 L119V24-L85 HydrophobicContact CG1-CD1 4.32Å; L83-L85 HydrophobicContact CD2-CD2 4.03Å; L85-G87 PolarHBondContact O-N 3.07Å; L85-G87 VanDerWaalsContact O-N 3.11Å; L85-L119 HydrophobicContact CD1-CB 4.35Å; L85-L119 HydrophobicContact CD1-CD2 3.89Å
86P28.1Very low28.3Very low96 Ų96102.5 Ų102.562%0.62359%0.593SS**  trans-74105.5178.429-33.4000110.9
87G29Very low28.2Very low32 Ų32105.1 Ų105.133%0.3360%0.602SS.*PPolyproline II helixtrans-80.3145.2167.300000112.3L85L85-G87 PolarHBondContact O-N 3.07Å; L85-G87 VanDerWaalsContact O-N 3.11Å
88R26.7Very low27.8Very low213 Ų213103.7 Ų103.780%0.80463%0.625SS**PPolyproline II helixtrans-97.9141.2165.5-77.7-174.8174.7-177-1.3109.9
89P27.1Very low27.4Very low76 Ų76104 Ų10449%0.49464%0.64SS.*SBendtrans-70.2137.7169.730-33000110.3
90G27.7Very low27.2Very low81 Ų81108.1 Ų108.184%0.83566%0.66SS**SBendtrans72.245158.400000117.8
91T25Very low27.2Very low90 Ų90109 Ų10955%0.55266%0.657SS**  trans-12697.3158.956.30000111.7G93T91-G93 PolarHBondContact O-N 3.45Å
92T25.1Very low26.8Very low152 Ų152110 Ų11093%0.93367%0.666SS**SBendtrans-57.9117153.331.90000108.7
93G24.2Very low26.7Very low60 Ų60115.1 Ų115.162%0.61969%0.688SS**  trans9284.3179.300000114.3T91 R95T91-G93 PolarHBondContact O-N 3.45Å; G93-R95 VanDerWaalsContact C-N 3.31Å; G93-R95 PolarHBondContact O-N 3.01Å
94L28.3Very low26.5Very low145 Ų145114.7 Ų114.776%0.75969%0.692SS**  trans-69.694.6152.8-154.486.2000106.8
95R24.2Very low26.1Very low226 Ų226115.8 Ų115.885%0.85370%0.698SS**  trans-63.7139.6176.3-92.6-173.2168.1-170.5-3.5110G93 T97G93-R95 VanDerWaalsContact C-N 3.31Å; G93-R95 PolarHBondContact O-N 3.01Å; R95-T97 PolarHBondContact O-N 2.95Å
96D29.2Very low26Very low167 Ų167118.5 Ų118.589%0.89372%0.72SS**  trans-52108.2172.5-72.6-60.4000111.6
97T27.9Very low25.8Very low128 Ų128119 Ų11979%0.78572%0.721SS**  trans-124.897157.742.90000106.2R95 G99R95-T97 PolarHBondContact O-N 2.95Å; T97-G99 PolarHBondContact O-N 2.88Å
98G24.3Very low25.6Very low94 Ų94124.7 Ų124.797%0.96974%0.743SS**  trans-69.947.1-177.100000114.3
99G23.4Very low25.6Very low51 Ų51119.7 Ų119.753%0.52673%0.732SS.*  trans-89.1156.9170.100000111.5T97T97-G99 PolarHBondContact O-N 2.88Å
100P23.9Very low25.5Very low116 Ų116124.9 Ų124.975%0.75375%0.749SS**  trans-60.4139.6171.226.3-33.7000110.8L102P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.46Å
101L27.7Very low25.4Very low156 Ų156128 Ų12882%0.81775%0.747SS**  trans-68.184.4177.9-110.3159.8000110.4L103L101-L103 PolarHBondContact O-N 3.26Å
102L21.9Very low25.4Very low153 Ų153128.2 Ų128.280%0.80175%0.748SS**  trans-79.2105.8171.1-72.7169.8000109.2P100P100-L102 VanDerWaalsContact C-N 3.31Å; P100-L102 PolarHBondContact O-N 3.46Å
103L26.4Very low25.5Very low137 Ų137127.3 Ų127.372%0.71774%0.743SS**PPolyproline II helixtrans-59.5125.9168.6-70.3166.1000108.9L101L101-L103 PolarHBondContact O-N 3.26Å
104P25.8Very low25.7Very low99 Ų99128.6 Ų128.664%0.64373%0.729SS**PPolyproline II helixtrans-66.2144.517328-33.3000109.8
105P23.3Very low25.7Very low96 Ų96126.2 Ų126.262%0.62371%0.71SS**PPolyproline II helixtrans-59.7150.6175.725.2-33.6000111T107P105-T107 PolarHBondContact O-N 3.27Å
106P27.9Very low25.9Very low121 Ų121118.1 Ų118.179%0.78669%0.687SS**THydrogen-bonded Turntrans-70.17.3-165.227.7-36.6000115.7
107T23.6Very low25.9Very low107 Ų107115.2 Ų115.266%0.65666%0.664SS**THydrogen-bonded Turntrans-91.9-1.8-165.631.50000116.4P105P105-T107 PolarHBondContact O-N 3.27Å
108L23.6Very low26Very low150 Ų150110.8 Ų110.879%0.78564%0.635SS**  trans-13050.7-176.5-79.4168000114.5R114L108-R114 PolarHBondContact O-NH1 3.22Å
109L26.6Very low26.3Very low108 Ų108107.2 Ų107.257%0.56559%0.594SS**  trans-111.619.8174.2-89.3140.7000114.6
110Q25.2Very low26.6Very low185 Ų185105.6 Ų105.686%0.86457%0.573SS**SBendtrans-80.4-23.4-171.4-87-176.2-31.600117
111D25.7Very low26.8Very low147 Ų147101.1 Ų101.179%0.78654%0.543SS*.SBendtrans-140.843.1-154.9-131.3-7.3000117
112T24.4Very low27.1Very low94 Ų9499.3 Ų99.358%0.57753%0.525SS*.SBendtrans-143.9154.3153.446.50000110.8R114T112-R114 VanDerWaalsContact C-N 3.34Å; T112-R114 VanDerWaalsContact O-CG 3.3Å; T112-R114 WeakPolarHBondContact O-CG 3.19Å; T112-R114 PolarHBondContact O-N 3.36Å; T112-R114 WeakPolarHBondContact OG1-CG 3.49Å; T112-R114 VanDerWaalsContact OG1-CZ 3.29Å; T112-R114 PolarHBondContact OG1-NE 3.17Å; T112-R114 PolarHBondContact OG1-NH2 3.24Å
113T28.7Very low27.3Very low133 Ų13394.4 Ų94.482%0.81650%0.503SS*.  trans-58.489.7165.532.10000110.2
114R26.8Very low27.3Very low87 Ų8790.6 Ų90.633%0.32849%0.491SS..  trans-99.4109-167.9-78.8168-149.3-141.33.2112.5L108 T112 C116L108-R114 PolarHBondContact O-NH1 3.22Å; T112-R114 VanDerWaalsContact C-N 3.34Å; T112-R114 VanDerWaalsContact O-CG 3.3Å; T112-R114 WeakPolarHBondContact O-CG 3.19Å; T112-R114 PolarHBondContact O-N 3.36Å; T112-R114 WeakPolarHBondContact OG1-CG 3.49Å; T112-R114 VanDerWaalsContact OG1-CZ 3.29Å; T112-R114 PolarHBondContact OG1-NE 3.17Å; T112-R114 PolarHBondContact OG1-NH2 3.24Å; R114-C116 PolarHBondContact O-N 2.76Å
115W28.6Very low27.4Very low95 Ų9592.6 Ų92.636%0.3649%0.49SS..  trans-62.7112.1160.2-56.782.7000109.1N46 W47N46-W115 WeakPolarHBondContact OD1-CZ3 3.29Å; W47-W115 VanDerWaalsContact O-CE3 3.29Å
116C28.1Very low27.7Very low57 Ų5792.6 Ų92.639%0.38549%0.488SS..  trans-98.6111.8-178.8-74.40000111.2L45 W47 R114L45-C116 VanDerWaalsContact O-O 3.08Å; W47-C116 HydrophobicContact CD2-CB 4.25Å; W47-C116 HydrophobicContact CE3-CB 4.01Å; W47-C116 HydrophobicContact CZ3-CB 4.44Å; R114-C116 PolarHBondContact O-N 2.76Å
117W29.3Very low27.6Very low106 Ų10695.3 Ų95.340%0.40249%0.489SS..  trans-82.1116.1173.7-63.574000109.3E44E44-W117 HydrophobicContact CB-CZ3 4.31Å; E44-W117 HydrophobicContact CG-CE3 4.05Å; E44-W117 HydrophobicContact CG-CH2 4.04Å; E44-W117 HydrophobicContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact CG-CZ3 3.46Å; E44-W117 VanDerWaalsContact OE1-CH2 3.26Å; E44-W117 WeakPolarHBondContact OE1-CH2 3.13Å
118M30.2Very low27.9Very low34 Ų3494.1 Ų94.117%0.16750%0.499CS..  trans-109.2100.6-177.1-169.5161.569.200111.6L45 P74 L78 V120L45-M118 HydrophobicContact CD1-CB 4.04Å; L45-M118 HydrophobicContact CD1-CE 3.35Å; P74-M118 HydrophobicContact CB-SD 4.01Å; L78-M118 HydrophobicContact CD1-CE 3.65Å; L78-M118 HydrophobicContact CD1-CG 4.32Å; L78-M118 HydrophobicContact CD1-SD 3.71Å; M118-V120 HydrophobicContact CE-CG2 4.18Å; M118-V120 HydrophobicContact CG-CG2 4.07Å; M118-V120 PolarHBondContact O-N 3.28Å
119L30.7Very low28.2Very low20 Ų2092.7 Ų92.711%0.10549%0.492CS..  trans-73.692.9177.2-172.873.6000110.7L25 L42 L85 L121L25-L119 HydrophobicContact CD2-CD1 4.43Å; L42-L119 HydrophobicContact CB-CD1 4.48Å; L42-L119 HydrophobicContact CD1-CD1 3.46Å; L42-L119 VanDerWaalsContact CD1-CD1 3.46Å; L42-L119 HydrophobicContact CG-CD1 3.77Å; L85-L119 HydrophobicContact CD1-CB 4.35Å; L85-L119 HydrophobicContact CD1-CD2 3.89Å; L119-L121 HydrophobicContact CD1-CD2 4.01Å; L119-L121 HydrophobicContact CD2-CD1 4Å; L119-L121 HydrophobicContact CD2-CD2 4.09Å; L119-L121 HydrophobicContact CD2-CG 4.06Å; L119-L121 HydrophobicContact CG-CD1 4.46Å; L119-L121 HydrophobicContact CG-CD2 3.79Å; L119-L121 HydrophobicContact CG-CG 3.96Å; L119-L121 PolarHBondContact O-N 2.89Å
120V29.9Very low28.4Very low16 Ų1690.5 Ų90.510%0.09749%0.486CS..  trans-86.496.6176.8-173.30000110.6L43 L78 M118L43-V120 HydrophobicContact CB-CB 4.39Å; L43-V120 HydrophobicContact CB-CG2 4.32Å; L78-V120 HydrophobicContact CD1-CG1 4.24Å; L78-V120 HydrophobicContact CD1-CG2 3.65Å; L78-V120 HydrophobicContact CD2-CG1 3.68Å; L78-V120 HydrophobicContact CD2-CG2 4.18Å; M118-V120 HydrophobicContact CE-CG2 4.18Å; M118-V120 HydrophobicContact CG-CG2 4.07Å; M118-V120 PolarHBondContact O-N 3.28Å
121L28.9Very low28.7Very low23 Ų2384.5 Ų84.512%0.1246%0.463CS..  trans-87.5117.4174.2-58.1-174.2000109.8A28 L32 L40 L119A28-L121 HydrophobicContact CB-CD1 3.86Å; L32-L121 HydrophobicContact CD1-CB 3.94Å; L32-L121 HydrophobicContact CD1-CD1 3.48Å; L32-L121 VanDerWaalsContact CD1-CD1 3.48Å; L32-L121 HydrophobicContact CD1-CG 4.34Å; L40-L121 HydrophobicContact CD2-CD1 4.14Å; L40-L121 HydrophobicContact CD2-CD2 3.78Å; L40-L121 HydrophobicContact CD2-CG 4.37Å; L119-L121 HydrophobicContact CD1-CD2 4.01Å; L119-L121 HydrophobicContact CD2-CD1 4Å; L119-L121 HydrophobicContact CD2-CD2 4.09Å; L119-L121 HydrophobicContact CD2-CG 4.06Å; L119-L121 HydrophobicContact CG-CD1 4.46Å; L119-L121 HydrophobicContact CG-CD2 3.79Å; L119-L121 HydrophobicContact CG-CG 3.96Å; L119-L121 PolarHBondContact O-N 2.89Å
122W32.9Very low29Very low118 Ų11883.3 Ų83.345%0.44745%0.452SS..  trans-114.3121.4-175.9-166.3-82.7000111.1A124W122-A124 PolarHBondContact O-N 3.23Å
123P26.1Very low29.2Very low50 Ų5080 Ų8033%0.32544%0.437SS..  trans-71.6116176.327.7-32.2000110.5K125P123-K125 PolarHBondContact O-N 3.47Å
124A27.4Very low29.3Very low57 Ų5777.2 Ų77.247%0.47142%0.416SS..THydrogen-bonded Turntrans-66.813-178.400000115.5P39 W122P39-A124 HydrophobicContact CG-CB 4.35Å; W122-A124 PolarHBondContact O-N 3.23Å
125K26.6Very low29.4Very low141 Ų14177 Ų7761%0.61342%0.421SS*.THydrogen-bonded Turntrans-88.2-4.7178.4-92.7173.4173.7159.60113.7E35 P123 H127E35-K125 IonicContact OE1-NZ 2.63Å; E35-K125 IonicContact OE2-NZ 3.85Å; E35-K125 PolarHBondContact OE2-NZ 2.89Å; P123-K125 PolarHBondContact O-N 3.47Å; K125-H127 PolarHBondContact O-N 3.11Å
126V30.5Very low29.4Very low96 Ų9681.6 Ų81.658%0.58244%0.438SS*.SBendtrans-73.1121.1170.4-1700000109.2
127H25.6Very low29.5Very low177 Ų17784.4 Ų84.482%0.81945%0.449SS*.  trans-57.7140.1-170.9-91.214.2000115K125 D129K125-H127 PolarHBondContact O-N 3.11Å; H127-D129 VanDerWaalsContact C-N 3.26Å; H127-D129 PolarHBondContact O-N 2.8Å
128G29.3Very low29.6Very low83 Ų8385 Ų8586%0.85646%0.456SS*.SBendtrans79.2-50.9152.100000116.5
129D30.4Very low29.5Very low119 Ų11986.2 Ų86.264%0.63647%0.472SS*.  trans-94.3114.1-168-66.2-36.5000112.2H127 I134H127-D129 VanDerWaalsContact C-N 3.26Å; H127-D129 PolarHBondContact O-N 2.8Å; D129-I134 HydrophobicContact CB-CD1 4.08Å; D129-I134 HydrophobicContact CB-CG1 3.95Å
130S30.8Very low29.2Very low63 Ų6387.6 Ų87.644%0.44149%0.486SS..  trans-53.7142.8166.6173.50000110.2H132 G133 I134S130-H132 PolarHBondContact O-N 3.25Å; S130-H132 PolarHBondContact OG-N 3.48Å; S130-G133 WeakPolarHBondContact O-CA 3.4Å; S130-G133 PolarHBondContact O-N 3.27Å; S130-I134 PolarHBondContact O-N 3.31Å
131P32.6Very low29Very low59 Ų5990.3 Ų90.338%0.38352%0.518SS..Hα-helixtrans-57.5-23.717423-33.4000112.5L135P131-L135 WeakPolarHBondContact O-CB 3.47Å; P131-L135 WeakPolarHBondContact O-CG 3.36Å; P131-L135 PolarHBondContact O-N 2.96Å
132H30.7Very low29.1Very low121 Ų12196.1 Ų96.156%0.5655%0.547SS*.Hα-helixtrans-66.1-34.1169.5-69.4-79.7000113.4S130 R136S130-H132 PolarHBondContact O-N 3.25Å; S130-H132 PolarHBondContact OG-N 3.48Å; H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 2.84Å
133G28.9Very low28.9Very low25 Ų2592.6 Ų92.626%0.25855%0.547SS..Hα-helixtrans-66.4-54.4178.300000111.6S130 L135 R136 D137S130-G133 WeakPolarHBondContact O-CA 3.4Å; S130-G133 PolarHBondContact O-N 3.27Å; G133-L135 PolarHBondContact O-N 2.98Å; G133-R136 CarbonylContact O-C 3.58Å; G133-R136 PolarHBondContact O-N 3.04Å; G133-R136 VanDerWaalsContact O-N 3.09Å; G133-D137 WeakPolarHBondContact O-CB 3.37Å; G133-D137 PolarHBondContact O-N 3.13Å
134I30.3Very low28.8Very low74 Ų74100 Ų10038%0.37957%0.574SS.*Hα-helixtrans-60.8-44.3-177.4-58.6173.1000111.6D129 S130 Q138D129-I134 HydrophobicContact CB-CD1 4.08Å; D129-I134 HydrophobicContact CB-CG1 3.95Å; S130-I134 PolarHBondContact O-N 3.31Å; I134-Q138 WeakPolarHBondContact O-CG 3.16Å; I134-Q138 PolarHBondContact O-N 3.07Å; I134-Q138 VanDerWaalsContact O-N 3.07Å
135L30.4Very low28.9Very low82 Ų82106.3 Ų106.343%0.42959%0.594SS.*Hα-helixtrans-66.6-36.4176.1-70.4172000112.3P131 G133 A139P131-L135 WeakPolarHBondContact O-CB 3.47Å; P131-L135 WeakPolarHBondContact O-CG 3.36Å; P131-L135 PolarHBondContact O-N 2.96Å; G133-L135 PolarHBondContact O-N 2.98Å; L135-A139 WeakPolarHBondContact O-CB 2.97Å; L135-A139 PolarHBondContact O-N 3.25Å; L135-A139 VanDerWaalsContact O-N 3.15Å
136R28.4Very low28.8Very low193 Ų193109 Ų10973%0.72861%0.606SS**Hα-helixtrans-75-33.6179.8-167.9-179.2-150.1-177.46112.3H132 G133 A139 A140H132-R136 WeakPolarHBondContact O-CB 3.49Å; H132-R136 PolarHBondContact O-N 2.84Å; G133-R136 CarbonylContact O-C 3.58Å; G133-R136 PolarHBondContact O-N 3.04Å; G133-R136 VanDerWaalsContact O-N 3.09Å; R136-A139 PolarHBondContact O-N 3.42Å; R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 3.32Å
137D30.3Very low28.5Very low116 Ų116112.8 Ų112.862%0.6262%0.617SS**Hα-helixtrans-78.8-34.9178-74.8-20.9000112.5G133 A139 A140 G141G133-D137 WeakPolarHBondContact O-CB 3.37Å; G133-D137 PolarHBondContact O-N 3.13Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 3.22Å; D137-A140 PolarHBondContact O-N 3.43Å; D137-G141 PolarHBondContact O-N 3.15Å
138Q29.9Very low28.4Very low117 Ų117109.7 Ų109.755%0.54761%0.613SS.*Hα-helixtrans-64.2-34.3167.5-73-166.43.300112.1I134 I142I134-Q138 WeakPolarHBondContact O-CG 3.16Å; I134-Q138 PolarHBondContact O-N 3.07Å; I134-Q138 VanDerWaalsContact O-N 3.07Å; Q138-I142 WeakPolarHBondContact O-CD1 3.3Å; Q138-I142 WeakPolarHBondContact O-CG1 3.43Å
139A28.4Very low28.2Very low60 Ų60112.2 Ų112.250%0.49661%0.607SS.*Hα-helixtrans-73-40171.200000112.9L135 R136 D137 I142 G143L135-A139 WeakPolarHBondContact O-CB 2.97Å; L135-A139 PolarHBondContact O-N 3.25Å; L135-A139 VanDerWaalsContact O-N 3.15Å; R136-A139 PolarHBondContact O-N 3.42Å; D137-A139 VanDerWaalsContact C-N 3.29Å; D137-A139 PolarHBondContact O-N 3.22Å; A139-I142 WeakPolarHBondContact O-CB 3.49Å; A139-I142 PolarHBondContact O-N 3.24Å; A139-I142 VanDerWaalsContact O-N 3.11Å; A139-G143 PolarHBondContact O-N 3.47Å
140A25.8Very low27.8Very low49 Ų49114.9 Ų114.941%0.40562%0.615SS.*Hα-helixtrans-72.6-30.6-177.300000112.8R136 D137 I142 G143R136-A140 WeakPolarHBondContact O-CB 3.39Å; R136-A140 PolarHBondContact O-N 3.32Å; D137-A140 PolarHBondContact O-N 3.43Å; A140-I142 PolarHBondContact O-N 3.07Å; A140-I142 VanDerWaalsContact O-N 3.16Å; A140-G143 PolarHBondContact O-N 3.38Å
141G25.8Very low27.3Very low73 Ų73118.2 Ų118.275%0.75364%0.637SS**THydrogen-bonded Turntrans-60.5-17.5168.600000113.9D137D137-G141 PolarHBondContact O-N 3.15Å
142I29.6Very low26.9Very low146 Ų146121.3 Ų121.375%0.74966%0.657SS**THydrogen-bonded Turntrans-101.7-10.2178.1-57.6170.8000111.3Q138 A139 A140Q138-I142 WeakPolarHBondContact O-CD1 3.3Å; Q138-I142 WeakPolarHBondContact O-CG1 3.43Å; A139-I142 WeakPolarHBondContact O-CB 3.49Å; A139-I142 PolarHBondContact O-N 3.24Å; A139-I142 VanDerWaalsContact O-N 3.11Å; A140-I142 PolarHBondContact O-N 3.07Å; A140-I142 VanDerWaalsContact O-N 3.16Å
143G28.4Very low26.5Very low43 Ų43120.1 Ų120.144%0.44366%0.662SS.*  trans-120.119.1-159.500000118.3A139 A140 E145A139-G143 PolarHBondContact O-N 3.47Å; A140-G143 PolarHBondContact O-N 3.38Å; G143-E145 PolarHBondContact O-N 3.32Å
144K25.9Very low26.1Very low206 Ų206127.2 Ų127.290%0.89669%0.689SS**THydrogen-bonded Turntrans-72.69.6-175.7-93-166.3174.9-176.30117.2
145E28.1Very low25.7Very low190 Ų190130.2 Ų130.289%0.88871%0.71SS**THydrogen-bonded Turntrans-134.441176.7-67.6-170.8159.500113.3G143G143-E145 PolarHBondContact O-N 3.32Å
146F25.2Very low25.5Very low197 Ų197132 Ų13286%0.86473%0.726SS**  trans-124.491165.4-116.5-94.8000111.4
147H23.3Very low25.2Very low175 Ų175134.8 Ų134.881%0.8174%0.737SS**  trans-92.3131.8166.2-124.5-9.3000108.4D149H147-D149 PolarHBondContact O-N 3.43Å
148P24.8Very low24.8Very low112 Ų112140.8 Ų140.873%0.72775%0.751SS**THydrogen-bonded Turntrans-80.2-4.9-162.730.5-35.8000116.1
149D24.8Very low25.5Very low136 Ų136139.4 Ų139.473%0.72775%0.752SS**THydrogen-bonded Turntrans-941.2-162.6-74-43.3000117H147H147-D149 PolarHBondContact O-N 3.43Å
150H21.9Very low25.1Very low176 Ų176144.9 Ų144.982%0.81577%0.767SS**  trans-127.297.2-177-78.527.3000113.1P152H150-P152 VanDerWaalsContact O-CD 3.3Å; H150-P152 WeakPolarHBondContact O-CD 3.45Å
151C20.7Very low25Very low133 Ų133150.2 Ų150.290%0.89978%0.783SS**  trans-84.9109155.8-79.30000109.4S153C151-S153 PolarHBondContact O-N 3.32Å
152P23.3Very low25Very low124 Ų124152.7 Ų152.781%0.80578%0.784SS**  trans-82.9111.6177.332.2-31.6000110.4H150H150-P152 VanDerWaalsContact O-CD 3.3Å; H150-P152 WeakPolarHBondContact O-CD 3.45Å
153S22.2Very low25.1Very low96 Ų96151.9 Ų151.967%0.67179%0.788SS**  trans-75148.9160.467.80000110.6C151C151-S153 PolarHBondContact O-N 3.32Å
154Q21.2Very low25Very low174 Ų174157.1 Ų157.181%0.81380%0.799SS**SBendtrans86.6113.8162.8-49.1-17618.700120.6
155V20.6Very low24.8Very low136 Ų136156.6 Ų156.682%0.82480%0.8SS**  48.9132.9125.4-170.80000120.4
156P27.8Very low24.6Very low119 Ų119150.8 Ų150.877%0.77379%0.791SS**  trans-94.5156.5-161.237.6-37.5000116.5
157R20.3Very low24.6Very low253 Ų253150.9 Ų150.996%0.95579%0.794SS**  trans-138.9143.1159.1-69.8-172175.4176.8-0.2112.6
158R22.2Very low24.6Very low242 Ų242146.3 Ų146.391%0.91379%0.794SS**  trans-100-178.4170.3-99-175-179-176.32.5109.2
159P44.2Very low24.6Very low88 Ų88146.3 Ų146.357%0.57180%0.797SS**  cis-134.3-170.5-29.835.7-16.7000112.6
160H22Very low24.6Very low175 Ų175145.1 Ų145.181%0.8180%0.799SS**  170.3178.3127.6-90.9-68.2000113.9
161H22.8Very low24.7Very low160 Ų160146.4 Ų146.474%0.74180%0.802SS**  trans-124145.9-149.3-79.7-114.2000117.1
162T24.7Very low24.8Very low126 Ų126145.9 Ų145.977%0.77380%0.797SS**  trans39.2162.8140.361.60000123.1
163P31.8Very low24.9Very low128 Ų128151.7 Ų151.783%0.83180%0.803SS**  cis-139.1-153.215.240.6-17000117.5
164F26.3Very low24.9Very low153 Ų153151.1 Ų151.167%0.67180%0.804SS**  trans-89.6164.8-163.8-96.8-95.3000118.7
165Q23Very low25Very low196 Ų196154.9 Ų154.992%0.91681%0.811SS**  -170.9151.8121.1-107.6-172.521.800116.5
166G24.2Very low25.2Very low67 Ų67155.2 Ų155.269%0.69181%0.807SS**  trans81.4-179.1155.400000121.4
167Q23.9Very low25Very low199 Ų199157.1 Ų157.193%0.9381%0.809SS**  -162.7145.9-63-162.5152.8-28.700113.3
168G24.1Very low25.1Very low79 Ų79150.3 Ų150.381%0.81480%0.8SS**  trans69.3160.4169.200000117.1
169S24.9Very low25.2Very low113 Ų113144.1 Ų144.179%0.7979%0.792SS**  cis-156.4164.5-14.9-175.70000109.6
170S24Very low24.3Very low111 Ų111145.4 Ų145.478%0.77680%0.802SS**  trans47.3107.2168.255.90000119.8
171K24.5Very low24.4Very low202 Ų202144.3 Ų144.388%0.87880%0.801SS**  trans-94.4136.2173.3-62.2174179.2175.60112.5
172P22.9Very low24.5Very low122 Ų122142.5 Ų142.579%0.79280%0.801SS**  trans-75.2135.8147.531.1-29.6000109.7A174P172-A174 PolarHBondContact O-N 3.11Å; P172-A174 VanDerWaalsContact O-N 3.14Å
173R24.2Very low24.5Very low247 Ų247144.1 Ų144.193%0.93280%0.8SS**  trans-77.993.1175.1-80.4179.8169.9171.3-3.9110.2R175R173-R175 PolarHBondContact O-N 2.81Å
174A24.2Very low24.3Very low84 Ų84143.7 Ų143.769%0.69480%0.8SS**  trans-67.1117.5164.400000109.7P172 I176P172-A174 PolarHBondContact O-N 3.11Å; P172-A174 VanDerWaalsContact O-N 3.14Å; A174-I176 PolarHBondContact O-N 2.75Å
175R22.7Very low24.1Very low253 Ų253143 Ų14396%0.95580%0.803SS**  trans-75.7106.3163.2-79.8-178.4169.8173.9-3.6107.4R173R173-R175 PolarHBondContact O-N 2.81Å
176I25.3Very low24.2Very low143 Ų143138.8 Ų138.873%0.73379%0.792SS**  trans-87.2119.7175.1-61.3174.2000107.5A174 C178A174-I176 PolarHBondContact O-N 2.75Å; I176-C178 PolarHBondContact O-N 3.09Å
177L22.5Very low24.2Very low158 Ų158141.4 Ų141.483%0.82780%0.797SS**  trans-80.2110.8171.4-154.380.9000108C179L177-C179 PolarHBondContact O-N 3.45Å
178C23.5Very low24.3Very low111 Ų111136.9 Ų136.975%0.7579%0.786SS**  trans-79.799.9176.8-71.60000110.2I176 C180I176-C178 PolarHBondContact O-N 3.09Å; C178-C180 PolarHBondContact O-N 3.06Å
179C24.1Very low24.4Very low112 Ų112140.5 Ų140.576%0.75779%0.792SS**  trans-82.9107.6164.8-63.20000109L177 L181L177-C179 PolarHBondContact O-N 3.45Å; C179-L181 PolarHBondContact O-N 2.76Å
180C24.2Very low24.4Very low114 Ų114138.2 Ų138.277%0.7779%0.787SS**  trans-68.7113.8169.5-67.50000109.2C178 V182C178-C180 PolarHBondContact O-N 3.06Å; C180-V182 PolarHBondContact O-N 2.87Å
181L25.6Very low24.4Very low153 Ų153138.9 Ų138.980%0.80179%0.791SS**  trans-75.196.1173.3-153.388.3000108.6C179 E183C179-L181 PolarHBondContact O-N 2.76Å; L181-E183 HydrophobicContact CD2-CG 4.13Å; L181-E183 PolarHBondContact O-N 3.35Å
182V24.1Very low24.5Very low122 Ų122136.1 Ų136.174%0.73979%0.791SS**  trans-81.792.6169.4-178.50000107.2C180 S184C180-V182 PolarHBondContact O-N 2.87Å; V182-S184 PolarHBondContact O-N 3.31Å
183E24.5Very low24.8Very low159 Ų159133.1 Ų133.174%0.74378%0.782SS**  trans-64.4120.5164.8-74.7-174.4152.400108.5L181 L185L181-E183 HydrophobicContact CD2-CG 4.13Å; L181-E183 PolarHBondContact O-N 3.35Å; E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 3.47Å
184S26.9Very low25Very low119 Ų119130.7 Ų130.783%0.83278%0.781SS**  trans-70.985.8178.955.60000110.8V182V182-S184 PolarHBondContact O-N 3.31Å
185L23.1Very low25.3Very low140 Ų140131.3 Ų131.373%0.73379%0.787SS**  trans-59.8154.9152.8-71.9169000109.4E183E183-L185 VanDerWaalsContact C-N 3.32Å; E183-L185 PolarHBondContact O-N 3.47Å
186P24.2Very low25.4Very low107 Ų107126.7 Ų126.770%0.69578%0.776SS**SBendtrans-55.8152175.724.1-34.2000111.3C188P186-C188 PolarHBondContact O-N 3.23Å
187P25.8Very low25.6Very low121 Ų121125.5 Ų125.579%0.78678%0.779SS**  trans-69.5101.7-150.726.6-36.2000113.3V189P187-V189 PolarHBondContact O-N 3.32Å
188C25Very low25.7Very low105 Ų105124.3 Ų124.371%0.70977%0.772SS**  trans-77.3111154-68.10000107.8P186 G190P186-C188 PolarHBondContact O-N 3.23Å; C188-G190 PolarHBondContact O-N 3.48Å
189V26.2Very low26.3Very low154 Ų154122.4 Ų122.493%0.93377%0.771SS**  trans-71.298.7175.7-178.40000108.7P187P187-V189 PolarHBondContact O-N 3.32Å
190G24.1Very low26.5Very low66 Ų66123.7 Ų123.768%0.6877%0.77SS**  trans-162.1130.9178.800000111.2C188C188-G190 PolarHBondContact O-N 3.48Å
191S24.4Very low26.5Very low124 Ų124128.1 Ų128.187%0.86777%0.771SS**  trans-67.2145.4-178.246.10000112.8G193S191-G193 PolarHBondContact O-N 3.29Å; S191-G193 VanDerWaalsContact O-N 3.13Å
192V28.1Very low26.8Very low144 Ų144125.6 Ų125.687%0.87377%0.772SS**  trans-59.8111.5-177.7-177.30000111.6
193G28.4Very low26.8Very low59 Ų59124.7 Ų124.761%0.60877%0.767SS**PPolyproline II helixtrans-86.4134.7169.500000111.7S191S191-G193 PolarHBondContact O-N 3.29Å; S191-G193 VanDerWaalsContact O-N 3.13Å
194Q27.7Very low27.1Very low196 Ų196122.5 Ų122.592%0.91677%0.769SS**PPolyproline II helixtrans-81.2118.2178.9-166.2173.39.100110.1
195A31.7Very low26.9Very low98 Ų98125.3 Ų125.381%0.8177%0.771SS**PPolyproline II helixtrans-98124.817800000111.1
196E24.6Very low26.9Very low156 Ų156121.1 Ų121.173%0.72976%0.761SS**  trans-115.3130179.2-159.7172.7-141.400111.1I198E196-I198 PolarHBondContact O-N 3.24Å
197C29.4Very low26.9Very low117 Ų117124.8 Ų124.879%0.79177%0.774SS**  trans-9296.5-174.2-71.90000111.7
198I24.9Very low26.8Very low134 Ų134122.5 Ų122.569%0.68777%0.772SS**  trans-98.395.4175.5-54.3179.7000110.4E196E196-I198 PolarHBondContact O-N 3.24Å
199G34.4Very low26.8Very low71 Ų71124 Ų12473%0.73278%0.778SS**THydrogen-bonded Turntrans72.5-149.6174.700000114.4R201G199-R201 VanDerWaalsContact C-N 3.28Å; G199-R201 PolarHBondContact O-N 3.16Å
200D29.6Very low26.7Very low139 Ų139121.4 Ų121.474%0.74377%0.765SS**THydrogen-bonded Turntrans-80.8-2.1-170.7-114-43.2000114.7K231D200-K231 PolarHBondContact O-NZ 3.05Å; D200-K231 IonicContact OD1-NZ 2.76Å; D200-K231 PolarHBondContact OD1-NZ 3.3Å
201R24.4Very low26.6Very low206 Ų206126.9 Ų126.978%0.77777%0.773SS**SBendtrans-119.7129-179.3-64.2-176.5-179.5-175.20.3110.4G199G199-R201 VanDerWaalsContact C-N 3.28Å; G199-R201 PolarHBondContact O-N 3.16Å
202A30.4Very low26.7Very low101 Ų101127.3 Ų127.384%0.83577%0.765SS**  trans-79124.7165.800000108.9
203V25.7Very low26.4Very low103 Ų103131.8 Ų131.862%0.62477%0.767SS**  trans-109.4118.6173.4-179.60000107.5M205V203-M205 HydrophobicContact CG1-CG 4.46Å
204S30.3Very low26.4Very low112 Ų112133.4 Ų133.478%0.78377%0.766SS**  trans-82.3122.7174.3-178.70000109.5
205M23.3Very low26.2Very low179 Ų179136 Ų13688%0.88277%0.768SS**  trans-107.669.4176.8-73.2-118.1-73.200111.2V203V203-M205 HydrophobicContact CG1-CG 4.46Å
206G22.3Very low25.9Very low51 Ų51135 Ų13553%0.52675%0.754SS.*SBendtrans71.6157.2169.600000115.7
207L24.6Very low26Very low185 Ų185130.8 Ų130.897%0.96975%0.746SS**  cis-150.7128.1-8.7-114.7166.1000106.5
208G23.7Very low25.9Very low72 Ų72131.1 Ų131.174%0.74274%0.743SS**  trans140.9100.9-177.500000112.1
209V23.8Very low25.9Very low137 Ų137135.3 Ų135.383%0.8375%0.751SS**  trans-91.1110.5-179.9-179.30000109.5E211V209-E211 HydrophobicContact CG1-CG 4.34Å
210C24.7Very low25.4Very low99 Ų99142.9 Ų142.967%0.66976%0.757SS**  trans-111.3112.4158.7-71.70000108.2L212C210-L212 VanDerWaalsContact C-N 3.32Å; C210-L212 PolarHBondContact O-N 2.9Å
211E22.6Very low25.3Very low181 Ų181147.6 Ų147.685%0.84677%0.765SS**  trans-71.582.2177.2-78.4-159.1121.200111.9V209V209-E211 HydrophobicContact CG1-CG 4.34Å
212L25.6Very low25.2Very low133 Ų133144 Ų14470%0.69677%0.765SS**  trans-91.3101161.9-84.5161.1000109C210 P214C210-L212 VanDerWaalsContact C-N 3.32Å; C210-L212 PolarHBondContact O-N 2.9Å; L212-P214 WeakPolarHBondContact O-CD 3.45Å; L212-P214 VanDerWaalsContact O-N 3.13Å
213R22.5Very low24.8Very low239 Ų239145.6 Ų145.690%0.90276%0.759SS**  trans-59.8110.5173.8-73.9-173.3177-171.70.5110.1
214P28.4Very low24.7Very low92 Ų92146.6 Ų146.660%0.59777%0.771SS**  trans-93.9122.2-171.434-27.7000111.2L212 C216L212-P214 WeakPolarHBondContact O-CD 3.45Å; L212-P214 VanDerWaalsContact O-N 3.13Å; P214-C216 PolarHBondContact O-N 3.06Å
215R23.1Very low24.5Very low252 Ų252145 Ų14595%0.95177%0.773SS**  trans-90.681.2156.9-80.7-170.1171.2-171.4-0.9109.1A217R215-A217 PolarHBondContact O-N 3.33Å
216C26.5Very low24.5Very low76 Ų76144.9 Ų144.951%0.51477%0.767SS.*  trans-66.8112.1176.6-68.10000111.5P214P214-C216 PolarHBondContact O-N 3.06Å
217A25.7Very low24.6Very low68 Ų68152.6 Ų152.656%0.56278%0.78SS**  trans-86.8108165.700000109.6R215 W219R215-A217 PolarHBondContact O-N 3.33Å; A217-W219 PolarHBondContact O-N 3.41Å
218V27.6Very low24.5Very low123 Ų123147.7 Ų147.775%0.74576%0.761SS**  trans-81.2100.9-178.9-178.60000110.5R220V218-R220 HydrophobicContact CG1-CG 4.45Å; V218-R220 PolarHBondContact O-N 3.2Å
219W24.2Very low24.5Very low223 Ų223148 Ų14885%0.84576%0.763SS**  trans-8495.6173.7-73.280.3000111.2A217 R221A217-W219 PolarHBondContact O-N 3.41Å; W219-R221 PolarHBondContact O-N 3.43Å
220R25.3Very low24.6Very low229 Ų229149.1 Ų149.186%0.86476%0.757SS**  trans-79.193.8167.2-80.9-172.5176-178.20.8110.6V218V218-R220 HydrophobicContact CG1-CG 4.45Å; V218-R220 PolarHBondContact O-N 3.2Å
221R25.7Very low24.7Very low238 Ų238151.4 Ų151.490%0.89876%0.756SS**  trans-80.5115.8158.1-105-176.7176.4172.4-1109.2W219W219-R221 PolarHBondContact O-N 3.43Å
222V22.2Very low24.9Very low131 Ų131148 Ų14879%0.79475%0.747SS**  trans-90.6100.5171179.40000107.7S224V222-S224 PolarHBondContact O-N 2.63Å
223L23.9Very low25Very low134 Ų134146.5 Ų146.570%0.70275%0.747SS**  trans-71.5116.8164.6-72.5168.6000108.2G225L223-G225 PolarHBondContact O-N 3.32Å
224S23.3Very low25.2Very low124 Ų124140.1 Ų140.187%0.86773%0.734SS**THydrogen-bonded Turntrans-65.1121.5175.743.30000110.1V222V222-S224 PolarHBondContact O-N 2.63Å
225G24.5Very low25.1Very low80 Ų80140.7 Ų140.783%0.82574%0.739SS**THydrogen-bonded Turntrans128.5-43.1169.900000115.7L223L223-G225 PolarHBondContact O-N 3.32Å
226K24.6Very low25.2Very low176 Ų176139.4 Ų139.477%0.76573%0.734SS**SBendtrans-141.7128.2178.2-70.3-177.3-178.7170.60111.7C228K226-C228 VanDerWaalsContact C-N 3.3Å; K226-C228 PolarHBondContact O-N 2.96Å
227R24.1Very low25Very low213 Ų213138.7 Ų138.780%0.80474%0.74SS**  trans-73.576.4178.9-70.4-175.7176.9-162.9-3.2112.1G229R227-G229 PolarHBondContact O-N 3.38Å
228C22.3Very low24.8Very low82 Ų82146.7 Ų146.755%0.55476%0.755SS**  trans-90.693160.7-62.60000108.3K226 F230K226-C228 VanDerWaalsContact C-N 3.3Å; K226-C228 PolarHBondContact O-N 2.96Å; C228-F230 VanDerWaalsContact C-N 3.31Å; C228-F230 HydrophobicContact CB-CD2 3.92Å; C228-F230 HydrophobicContact CB-CE2 3.36Å; C228-F230 HydrophobicContact CB-CZ 3.89Å; C228-F230 WeakPolarHBondContact O-CD2 3.45Å; C228-F230 PolarHBondContact O-N 3.35Å
229G24.3Very low24.5Very low77 Ų77147.7 Ų147.779%0.79476%0.762SS**  trans-75.776.7-18000000112.2R227 K231R227-G229 PolarHBondContact O-N 3.38Å; G229-K231 PolarHBondContact O-N 3.32Å
230F25.9Very low24.4Very low162 Ų162146.4 Ų146.471%0.71178%0.784SS**  trans-77.3108.5173.3-61.4-71.1000110.4C228 V232C228-F230 VanDerWaalsContact C-N 3.31Å; C228-F230 HydrophobicContact CB-CD2 3.92Å; C228-F230 HydrophobicContact CB-CE2 3.36Å; C228-F230 HydrophobicContact CB-CZ 3.89Å; C228-F230 WeakPolarHBondContact O-CD2 3.45Å; C228-F230 PolarHBondContact O-N 3.35Å; F230-V232 HydrophobicContact CB-CG2 4.45Å; F230-V232 PolarHBondContact O-N 3.48Å
231K27.1Very low24.3Very low146 Ų146142.3 Ų142.364%0.63578%0.78SS**  trans-84.389.4165.6-71.6178.5-173.5165.40108.5D200 G229 C233D200-K231 PolarHBondContact O-NZ 3.05Å; D200-K231 IonicContact OD1-NZ 2.76Å; D200-K231 PolarHBondContact OD1-NZ 3.3Å; G229-K231 PolarHBondContact O-N 3.32Å; K231-C233 PolarHBondContact O-N 2.88Å
232V27.1Very low24.3Very low109 Ų109137.2 Ų137.266%0.66177%0.774SS**  trans-81.9112.2169.7-173.60000108.2F230 V234F230-V232 HydrophobicContact CB-CG2 4.45Å; F230-V232 PolarHBondContact O-N 3.48Å; V232-V234 HydrophobicContact CG1-CG2 3.91Å
233C26.2Very low24.4Very low103 Ų103137.6 Ų137.670%0.69677%0.773SS**  trans-91.7109.6170.5-71.60000108.9K231K231-C233 PolarHBondContact O-N 2.88Å
234V27.4Very low24.4Very low104 Ų104137.8 Ų137.863%0.6378%0.777SS**  trans-100.5109.5171.9-175.70000108.4V232 R236V232-V234 HydrophobicContact CG1-CG2 3.91Å; V234-R236 PolarHBondContact O-N 3.33Å
235C25.5Very low24.5Very low104 Ų104138.6 Ų138.670%0.70377%0.772SS**  trans-85.7106174.9-70.10000109.9G237C235-G237 PolarHBondContact O-N 3.14Å
236R25Very low24.5Very low225 Ų225142.5 Ų142.585%0.84977%0.768SS**  trans-87.1101.1167.9-93.2-177.9159157.8-5.2110.1V234V234-R236 PolarHBondContact O-N 3.33Å
237G23.3Very low24.5Very low61 Ų61140.1 Ų140.163%0.62977%0.768SS**  trans-75.5143.6159.200000110.4C235C235-G237 PolarHBondContact O-N 3.14Å
238W20.5Very low24.5Very low236 Ų236134.5 Ų134.589%0.89477%0.765SS**  trans-109.3138162.4-75.557.7000106.9
239V21.7Very low24.7Very low145 Ų145138.9 Ų138.988%0.87978%0.783SS**  trans-100.8134.4169.5-172.40000106.9
240C22Very low24.7Very low195 Ų195144.5 Ų144.5100%1.31878%0.782SS**  trans-83.70177.7-62.80000111.6

Retrieved 240 of 240 residues in 46.2 ms (Link to these results)