Q9AQV2_ORYSJ Loading...

Os01g0285300 protein

AlphaFold DB , UniProt , Accession Q9AQV2, Species ORYSJ (Oryza sativa subsp. japonica, Rice), Gene OSJNBa0004B13.27, Length 428 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

 

Download Structure   PDB   PAE   Table  
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
1M41.2Very low58.2Low184 Ų184150.4 Ų150.491%0.90675%0.746SS**  01350-62.7172.3-17900109.1D236M1-D236 HydrophobicContact CE-CB 3.89Å
2G49.2Very low60Low70 Ų70141.3 Ų141.372%0.72270%0.702SS**  trans-73.7137.9-174.700000113.3H4G2-H4 PolarHBondContact O-N 3.36Å
3R60.2Low61.6Low237 Ų237144.5 Ų144.589%0.89470%0.701SS**  trans-70.2120.1172.8-55.4-176.7-162.3-98.44.4108.5S5R3-S5 PolarHBondContact O-N 3.14Å; R3-S5 PolarHBondContact O-OG 3.42Å
4H57Low63.2Low183 Ų183148.5 Ų148.585%0.84771%0.713SS**  trans-66.1101.5177.1-71.4-78.8000111.2G2 C6G2-H4 PolarHBondContact O-N 3.36Å; H4-C6 PolarHBondContact O-N 3Å
5S60.4Low65Low103 Ų103142.6 Ų142.672%0.7271%0.707SS**  trans-70.235.7179.1-54.20000114.8R3 C7 Y8R3-S5 PolarHBondContact O-N 3.14Å; R3-S5 PolarHBondContact O-OG 3.42Å; S5-C7 PolarHBondContact O-N 3.2Å; S5-Y8 PolarHBondContact O-N 3.34Å
6C57.9Low66.8Low80 Ų80144.2 Ų144.254%0.54172%0.718SS.*THydrogen-bonded Turntrans-56.7-15.8-175.1-178.40000114.3H4H4-C6 PolarHBondContact O-N 3Å
7C60.4Low68.6Low67 Ų67138.3 Ų138.345%0.45369%0.685SS.*THydrogen-bonded Turntrans-105.6-4.2-170.6-56.20000115.6S5 L12 C49S5-C7 PolarHBondContact O-N 3.2Å; C7-L12 HydrophobicContact CB-CD1 3.89Å; C7-C49 WeakPolarHBondContact SG-CB 3.29Å
8Y55.1Low70.1Confident203 Ų203132.9 Ų132.980%0.79666%0.663SS**SBendtrans-86.7-23.8-162.2-159.5-99.4000116S5S5-Y8 PolarHBondContact O-N 3.34Å
9K59.3Low71.5Confident203 Ų203130.8 Ų130.888%0.88366%0.66SS**SBendtrans-103.67-168.4-65.2-161.6175.7-169.10116.3
10Q65.4Low72.8Confident116 Ų116129.6 Ų129.654%0.54265%0.652SS.*SBendtrans-139.3148176-65.7-177.7-8300110.4L12Q10-L12 PolarHBondContact O-N 3.34Å
11K74.3Confident74Confident208 Ų208124.6 Ų124.690%0.90463%0.626SS**  trans-72.969.7178.2-69.4-173.8177.5-177.60111.3
12L79.1Confident76.7Confident42 Ų42116.6 Ų116.622%0.2259%0.588CS.*PPolyproline II helixtrans-61.8137.5179.6-62.7179.8000111.6C7 Q10 K14 Q47 C49C7-L12 HydrophobicContact CB-CD1 3.89Å; Q10-L12 PolarHBondContact O-N 3.34Å; L12-K14 PolarHBondContact O-N 3.12Å; L12-Q47 CarbonylContact C-O 3.53Å; L12-Q47 WeakPolarHBondContact CA-O 3.32Å; L12-C49 HydrophobicContact CD1-CB 4.09Å
13R81.9Confident79Confident183 Ų183118.3 Ų118.369%0.69158%0.577SS**PPolyproline II helixtrans-69.3121177-77.9-81.5167.2137.8-8.6110.6Q47 R48R13-Q47 HydrophobicContact CG-CB 4.32Å; R13-Q47 PolarHBondContact N-O 2.79Å; R13-R48 VanDerWaalsContact O-CD 3.26Å; R13-R48 WeakPolarHBondContact O-CD 3.37Å; R13-R48 PolarHBondContact O-NH1 3.47Å
14K83.1Confident80.8Confident200 Ų200112 Ų11287%0.8756%0.556SS**PPolyproline II helixtrans-103.5147.9169.7-59.3172.8-175172.80108.1L12L12-K14 PolarHBondContact O-N 3.12Å
15G90.6Very high82.7Confident60 Ų60103.2 Ų103.262%0.61952%0.515SS*.SBendtrans113.6-170.4-17700000113.4R48G15-R48 PolarHBondContact O-NH1 3.28Å
16L93.8Very high84.5Confident168 Ų168101.7 Ų101.788%0.8850%0.498SS*.PPolyproline II helixtrans-53150.7-179.7-61.3175.9000112.1R48L16-R48 PolarHBondContact O-NH2 2.83Å
17W96.8Very high86.4Confident44 Ų44101.8 Ų101.817%0.16749%0.492CS..PPolyproline II helixtrans-82.8136172.8-79.475.4000110E21 D22 L25 L46 R48 S52 C53 R56W17-E21 HydrophobicContact CE3-CB 3.75Å; W17-E21 HydrophobicContact CZ3-CB 4.05Å; W17-D22 VanDerWaalsContact CE3-OD1 3.24Å; W17-L25 HydrophobicContact CH2-CD2 3.7Å; W17-L25 HydrophobicContact CZ3-CB 4.41Å; W17-L25 HydrophobicContact CZ3-CD2 3.72Å; W17-L46 HydrophobicContact CH2-CD2 3.67Å; W17-L46 HydrophobicContact CZ3-CD2 3.51Å; W17-R48 HydrophobicContact CH2-CB 4.35Å; W17-R48 HydrophobicContact CH2-CG 4.01Å; W17-R48 HydrophobicContact CZ2-CB 4.44Å; W17-R48 HydrophobicContact CZ2-CG 4.1Å; W17-S52 WeakPolarHBondContact CZ2-OG 3.49Å; W17-C53 HydrophobicContact CH2-CB 4.42Å; W17-R56 HydrophobicContact CD2-CB 4.08Å; W17-R56 HydrophobicContact CD2-CG 3.6Å; W17-R56 HydrophobicContact CE3-CB 4.43Å; W17-R56 HydrophobicContact CE3-CG 3.8Å; W17-R56 HydrophobicContact CG-CG 4.03Å; W17-R56 HydrophobicContact CH2-CB 4.05Å; W17-R56 HydrophobicContact CH2-CG 4.26Å; W17-R56 HydrophobicContact CZ2-CB 3.64Å; W17-R56 HydrophobicContact CZ2-CG 4.08Å; W17-R56 HydrophobicContact CZ3-CB 4.4Å; W17-R56 HydrophobicContact CZ3-CG 4.11Å
18S96.3Very high88.1Confident41 Ų4199.6 Ų99.629%0.28748%0.476SS..PPolyproline II helixtrans-90.8155.6172.783.10000111.4E20 E21 D22S18-E20 WeakPolarHBondContact CB-OE2 3.35Å; S18-E20 PolarHBondContact O-N 3.01Å; S18-E20 PolarHBondContact OG-OE2 2.79Å; S18-E21 PolarHBondContact N-OE2 3.31Å; S18-E21 PolarHBondContact O-N 3.38Å; S18-E21 PolarHBondContact OG-N 3.31Å; S18-D22 PolarHBondContact O-N 3.04Å; S18-D22 VanDerWaalsContact O-N 3.08Å
19P97.1Very high90.1Very high93 Ų9390.6 Ų90.660%0.60444%0.441SS*.Hα-helixtrans-56-33.7178.9-25.535.6000113.1D22 E23P19-D22 PolarHBondContact O-N 3.01Å; P19-E23 WeakPolarHBondContact O-CB 3.49Å; P19-E23 PolarHBondContact O-N 3.41Å
20E97.6Very high91.9Very high106 Ų10686.1 Ų86.150%0.49543%0.431SS..Hα-helixtrans-76.7-24-179.1-4274.3-162.600112.4S18 K24S18-E20 WeakPolarHBondContact CB-OE2 3.35Å; S18-E20 PolarHBondContact O-N 3.01Å; S18-E20 PolarHBondContact OG-OE2 2.79Å; E20-K24 WeakPolarHBondContact O-CB 3.25Å; E20-K24 VanDerWaalsContact O-CD 3.28Å; E20-K24 WeakPolarHBondContact O-CD 3.44Å; E20-K24 WeakPolarHBondContact O-CG 3.35Å; E20-K24 PolarHBondContact O-N 3.05Å
21E97.6Very high93.4Very high25 Ų2588.5 Ų88.512%0.11744%0.44CS..Hα-helixtrans-76.1-39.4168.6-71.6-177.5116.700111.5W17 S18 L25 R48W17-E21 HydrophobicContact CE3-CB 3.75Å; W17-E21 HydrophobicContact CZ3-CB 4.05Å; S18-E21 PolarHBondContact N-OE2 3.31Å; S18-E21 PolarHBondContact O-N 3.38Å; S18-E21 PolarHBondContact OG-N 3.31Å; E21-L25 WeakPolarHBondContact O-CB 3.48Å; E21-L25 PolarHBondContact O-N 3.47Å; E21-R48 IonicContact OE1-CZ 3.52Å; E21-R48 IonicContact OE1-NE 2.75Å; E21-R48 PolarHBondContact OE1-NE 3.23Å; E21-R48 IonicContact OE1-NH2 3.42Å; E21-R48 PolarHBondContact OE1-NH2 2.75Å; E21-R48 IonicContact OE2-CZ 3.47Å; E21-R48 IonicContact OE2-NE 3.46Å; E21-R48 PolarHBondContact OE2-NE 3.18Å; E21-R48 IonicContact OE2-NH2 2.66Å; E21-R48 PolarHBondContact OE2-NH2 2.88Å
22D97.8Very high94.4Very high17 Ų1784.5 Ų84.59%0.09142%0.424CS..Hα-helixtrans-65.4-44.2176.2-74-32.9000111.6W17 S18 P19 L25 M26 R56 L61W17-D22 VanDerWaalsContact CE3-OD1 3.24Å; S18-D22 PolarHBondContact O-N 3.04Å; S18-D22 VanDerWaalsContact O-N 3.08Å; P19-D22 PolarHBondContact O-N 3.01Å; D22-L25 PolarHBondContact O-N 2.92Å; D22-M26 VanDerWaalsContact O-CB 3.24Å; D22-M26 WeakPolarHBondContact O-CB 3.39Å; D22-M26 PolarHBondContact O-N 3.39Å; D22-R56 VanDerWaalsContact OD1-CG 3.3Å; D22-R56 WeakPolarHBondContact OD1-CG 3.46Å; D22-R56 IonicContact OD1-CZ 2.71Å; D22-R56 IonicContact OD1-NE 3.64Å; D22-R56 PolarHBondContact OD1-NE 3.37Å; D22-R56 IonicContact OD1-NH2 3.62Å; D22-R56 IonicContact OD2-CZ 3.11Å; D22-R56 IonicContact OD2-NE 2.66Å; D22-R56 PolarHBondContact OD2-NE 3.05Å; D22-R56 IonicContact OD2-NH2 3.41Å; D22-R56 PolarHBondContact OD2-NH2 3.37Å; D22-L61 HydrophobicContact CB-CD1 3.91Å; D22-L61 HydrophobicContact CB-CD2 3.75Å; D22-L61 HydrophobicContact CB-CG 4.47Å
23E97.8Very high95.2Very high105 Ų10584.1 Ų84.149%0.49143%0.43SS..Hα-helixtrans-61.5-47.4177-161.8-142.2140.600111.2P19 L25 M26 N27P19-E23 WeakPolarHBondContact O-CB 3.49Å; P19-E23 PolarHBondContact O-N 3.41Å; E23-L25 PolarHBondContact O-N 3.09Å; E23-M26 PolarHBondContact O-N 3.34Å; E23-N27 VanDerWaalsContact O-CB 3.28Å; E23-N27 WeakPolarHBondContact O-CB 3.34Å; E23-N27 PolarHBondContact O-N 3.22Å; E23-N27 PolarHBondContact O-ND2 3.19Å; E23-N27 PolarHBondContact OE1-ND2 3.17Å
24K97.5Very high95.7Very high104 Ų10479.5 Ų79.545%0.45242%0.416SS..Hα-helixtrans-59.6-42.9175.3-76.8170.2-170.3168.80112.7E20 H28 L46E20-K24 WeakPolarHBondContact O-CB 3.25Å; E20-K24 VanDerWaalsContact O-CD 3.28Å; E20-K24 WeakPolarHBondContact O-CD 3.44Å; E20-K24 WeakPolarHBondContact O-CG 3.35Å; E20-K24 PolarHBondContact O-N 3.05Å; K24-H28 VanDerWaalsContact O-CB 3.32Å; K24-H28 WeakPolarHBondContact O-CB 3.43Å; K24-H28 PolarHBondContact O-N 3.09Å; K24-L46 HydrophobicContact CB-CD1 3.45Å; K24-L46 VanDerWaalsContact CB-CD1 3.45Å; K24-L46 HydrophobicContact CD-CD1 4.12Å; K24-L46 HydrophobicContact CG-CD1 4.44Å
25L97.9Very high96.1Very high0 Ų073 Ų730%041%0.406CS..Hα-helixtrans-63.8-43.9177178.857.4000111.4W17 E21 D22 E23 I29 V40 L46 C53 R56 L61W17-L25 HydrophobicContact CH2-CD2 3.7Å; W17-L25 HydrophobicContact CZ3-CB 4.41Å; W17-L25 HydrophobicContact CZ3-CD2 3.72Å; E21-L25 WeakPolarHBondContact O-CB 3.48Å; E21-L25 PolarHBondContact O-N 3.47Å; D22-L25 PolarHBondContact O-N 2.92Å; E23-L25 PolarHBondContact O-N 3.09Å; L25-I29 HydrophobicContact CD1-CD1 3.58Å; L25-I29 HydrophobicContact CD1-CG1 4.28Å; L25-I29 HydrophobicContact CG-CD1 4.01Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.43Å; L25-V40 HydrophobicContact CD1-CG1 3.59Å; L25-L46 HydrophobicContact CB-CD2 4.04Å; L25-C53 HydrophobicContact CD1-CB 3.87Å; L25-C53 HydrophobicContact CD2-CB 4.16Å; L25-R56 HydrophobicContact CD2-CB 4.21Å; L25-R56 HydrophobicContact CD2-CG 4.33Å; L25-L61 HydrophobicContact CB-CD1 4.3Å; L25-L61 HydrophobicContact CD2-CD1 3.84Å; L25-L61 HydrophobicContact CG-CD1 4.19Å
26M97.3Very high96.3Very high71 Ų7173.8 Ų73.835%0.3540%0.401SS..Hα-helixtrans-67.5-48.5179.2178.6158.451.900112D22 E23 H28 I29 T30 W57D22-M26 VanDerWaalsContact O-CB 3.24Å; D22-M26 WeakPolarHBondContact O-CB 3.39Å; D22-M26 PolarHBondContact O-N 3.39Å; E23-M26 PolarHBondContact O-N 3.34Å; M26-H28 VanDerWaalsContact C-N 3.31Å; M26-H28 PolarHBondContact O-N 2.66Å; M26-I29 PolarHBondContact O-N 2.89Å; M26-T30 WeakPolarHBondContact O-CB 3.35Å; M26-T30 PolarHBondContact O-N 2.96Å; M26-T30 PolarHBondContact O-OG1 2.79Å; M26-W57 HydrophobicContact CB-CZ3 4.15Å; M26-W57 HydrophobicContact CG-CZ3 4.13Å
27N97.2Very high96.4Very high81 Ų8167.5 Ų67.543%0.43337%0.366SS..Hα-helixtrans-59-41.3176.5-71.3-15.4000111.6E23 K31E23-N27 VanDerWaalsContact O-CB 3.28Å; E23-N27 WeakPolarHBondContact O-CB 3.34Å; E23-N27 PolarHBondContact O-N 3.22Å; E23-N27 PolarHBondContact O-ND2 3.19Å; E23-N27 PolarHBondContact OE1-ND2 3.17Å; N27-K31 WeakPolarHBondContact O-CB 3.19Å; N27-K31 PolarHBondContact O-N 3.43Å; N27-K31 VanDerWaalsContact O-N 3.09Å
28H97.4Very high96.2Very high22 Ų2268.4 Ų68.410%0.10238%0.379CS..Hα-helixtrans-63.4-49.7175.5179.773.9000112K24 M26 K31 H32 L43 A44K24-H28 VanDerWaalsContact O-CB 3.32Å; K24-H28 WeakPolarHBondContact O-CB 3.43Å; K24-H28 PolarHBondContact O-N 3.09Å; M26-H28 VanDerWaalsContact C-N 3.31Å; M26-H28 PolarHBondContact O-N 2.66Å; H28-K31 PolarHBondContact O-N 2.82Å; H28-H32 AromaticContact ND1-CD2 3.73Å; H28-H32 WeakPolarHBondContact O-CB 3.39Å; H28-H32 PolarHBondContact O-N 2.83Å; H28-L43 WeakPolarHBondContact CE1-CB 3.41Å; H28-A44 HydrophobicContact CB-CB 3.59Å
29I97.4Very high96.1Very high13 Ų1369.5 Ų69.57%0.06738%0.384CS..Hα-helixtrans-68.2-38.3-177.2-67.4169.1000111.8L25 M26 K31 G33 H34 W37 W57L25-I29 HydrophobicContact CD1-CD1 3.58Å; L25-I29 HydrophobicContact CD1-CG1 4.28Å; L25-I29 HydrophobicContact CG-CD1 4.01Å; L25-I29 WeakPolarHBondContact O-CG1 3.44Å; L25-I29 PolarHBondContact O-N 3.43Å; M26-I29 PolarHBondContact O-N 2.89Å; I29-K31 VanDerWaalsContact C-N 3.34Å; I29-G33 WeakPolarHBondContact O-CA 3.26Å; I29-G33 PolarHBondContact O-N 3.18Å; I29-H34 HydrophobicContact CD1-CB 4.36Å; I29-H34 HydrophobicContact CG1-CB 4.12Å; I29-H34 HydrophobicContact CG2-CB 4.22Å; I29-W37 HydrophobicContact CD1-CH2 3.68Å; I29-W37 HydrophobicContact CD1-CZ3 3.8Å; I29-W57 HydrophobicContact CB-CE3 4.47Å; I29-W57 HydrophobicContact CB-CH2 4.27Å; I29-W57 HydrophobicContact CB-CZ2 4.42Å; I29-W57 HydrophobicContact CB-CZ3 4.31Å; I29-W57 HydrophobicContact CD1-CB 4.19Å; I29-W57 HydrophobicContact CD1-CD2 3.59Å; I29-W57 HydrophobicContact CD1-CE3 3.67Å; I29-W57 HydrophobicContact CD1-CG 3.83Å; I29-W57 HydrophobicContact CD1-CZ3 4.33Å; I29-W57 HydrophobicContact CG2-CD2 4.28Å; I29-W57 HydrophobicContact CG2-CH2 3.88Å; I29-W57 HydrophobicContact CG2-CZ2 3.58Å; I29-W57 HydrophobicContact CG2-CZ3 4.34Å
30T95.9Very high96.1Very high110 Ų11065.1 Ų65.168%0.67536%0.355SS*.Hα-helixtrans-66.4-35.4176-61.40000112M26M26-T30 WeakPolarHBondContact O-CB 3.35Å; M26-T30 PolarHBondContact O-N 2.96Å; M26-T30 PolarHBondContact O-OG1 2.79Å
31K96.3Very high95.9Very high166 Ų16660.3 Ų60.372%0.72233%0.333SS*.Hα-helixtrans-85.3-32.1-177.8-173.9176.6175.1-179.40114.5N27 H28 I29N27-K31 WeakPolarHBondContact O-CB 3.19Å; N27-K31 PolarHBondContact O-N 3.43Å; N27-K31 VanDerWaalsContact O-N 3.09Å; H28-K31 PolarHBondContact O-N 2.82Å; I29-K31 VanDerWaalsContact C-N 3.34Å
32H96Very high95.7Very high124 Ų12466.9 Ų66.957%0.57436%0.361SS*.Hα-helixtrans-125.5-4.2-170.5-61.7-75.2000114.5H28H28-H32 AromaticContact ND1-CD2 3.73Å; H28-H32 WeakPolarHBondContact O-CB 3.39Å; H28-H32 PolarHBondContact O-N 2.83Å
33G95.1Very high95.6Very high34 Ų3471.5 Ų71.535%0.35139%0.386SS..  trans70.6179.4-161.700000111.9I29I29-G33 WeakPolarHBondContact O-CA 3.26Å; I29-G33 PolarHBondContact O-N 3.18Å
34H92.7Very high95.5Very high86 Ų8667.2 Ų67.240%0.39837%0.368SS..  trans-96.3-18179.663.4-92.3000113.9I29 C36 W37 V40I29-H34 HydrophobicContact CD1-CB 4.36Å; I29-H34 HydrophobicContact CG1-CB 4.12Å; I29-H34 HydrophobicContact CG2-CB 4.22Å; H34-C36 PolarHBondContact O-N 3.45Å; H34-W37 HydrophobicContact CB-CD2 4.5Å; H34-W37 HydrophobicContact CB-CH2 3.72Å; H34-W37 HydrophobicContact CB-CZ2 3.56Å; H34-W37 HydrophobicContact CB-CZ3 4.26Å; H34-W37 AromaticContact CD2-CE2 3.58Å; H34-W37 AromaticContact CD2-CZ2 3.71Å; H34-W37 AromaticContact CD2-NE1 3.33Å; H34-W37 PolarHBondContact CD2-NE1 3.31Å; H34-W37 VanDerWaalsContact CD2-NE1 3.33Å; H34-W37 AromaticContact CG-CE2 3.93Å; H34-W37 AromaticContact CG-CZ2 3.62Å; H34-W37 AromaticContact NE2-NE1 3.96Å; H34-V40 WeakPolarHBondContact O-CG2 3.37Å
35G91.5Very high95.4Very high64 Ų6464.7 Ų64.766%0.6637%0.372SS*.  trans42.7-122.5178.100000113.7
36C94.8Very high95.2Very high76 Ų7665.1 Ų65.151%0.51437%0.374SS..SBendtrans-90.4116.5171.7-169.40000111.2H34 S38 T39H34-C36 PolarHBondContact O-N 3.45Å; C36-S38 PolarHBondContact O-N 2.91Å; C36-S38 PolarHBondContact SG-OG 2.91Å; C36-T39 PolarHBondContact O-N 3.1Å; C36-T39 PolarHBondContact O-OG1 3.3Å
37W96.2Very high95Very high36 Ų3666.3 Ų66.314%0.13638%0.379CS..THydrogen-bonded Turntrans-55.6-19.1-177.9-72.4100.5000115.6I29 H34 V40 P41 G50 C53 R54 W57I29-W37 HydrophobicContact CD1-CH2 3.68Å; I29-W37 HydrophobicContact CD1-CZ3 3.8Å; H34-W37 HydrophobicContact CB-CD2 4.5Å; H34-W37 HydrophobicContact CB-CH2 3.72Å; H34-W37 HydrophobicContact CB-CZ2 3.56Å; H34-W37 HydrophobicContact CB-CZ3 4.26Å; H34-W37 AromaticContact CD2-CE2 3.58Å; H34-W37 AromaticContact CD2-CZ2 3.71Å; H34-W37 AromaticContact CD2-NE1 3.33Å; H34-W37 PolarHBondContact CD2-NE1 3.31Å; H34-W37 VanDerWaalsContact CD2-NE1 3.33Å; H34-W37 AromaticContact CG-CE2 3.93Å; H34-W37 AromaticContact CG-CZ2 3.62Å; H34-W37 AromaticContact NE2-NE1 3.96Å; W37-V40 HydrophobicContact CE3-CB 4.46Å; W37-V40 HydrophobicContact CE3-CG1 4.46Å; W37-V40 HydrophobicContact CE3-CG2 4.2Å; W37-V40 HydrophobicContact CZ3-CG1 4.45Å; W37-P41 WeakPolarHBondContact O-CD 3.46Å; W37-G50 WeakPolarHBondContact O-CA 3.24Å; W37-C53 HydrophobicContact CE3-CB 4.3Å; W37-C53 HydrophobicContact CZ3-CB 4.33Å; W37-R54 HydrophobicContact CB-CB 4.43Å; W37-R54 HydrophobicContact CD2-CB 3.53Å; W37-R54 HydrophobicContact CD2-CG 3.85Å; W37-R54 VanDerWaalsContact CE3-CA 3.47Å; W37-R54 HydrophobicContact CE3-CB 3.68Å; W37-R54 HydrophobicContact CE3-CG 4.39Å; W37-R54 HydrophobicContact CG-CB 3.87Å; W37-R54 HydrophobicContact CG-CG 4.11Å; W37-R54 HydrophobicContact CZ2-CB 4.43Å; W37-R54 HydrophobicContact CZ2-CG 4.16Å; W37-R54 HydrophobicContact CZ3-CB 4.2Å; W37-W57 HydrophobicContact CH2-CB 3.66Å; W37-W57 AromaticContact CH2-CD1 3.65Å; W37-W57 AromaticContact CH2-CG 3.73Å; W37-W57 HydrophobicContact CH2-CG 3.73Å; W37-W57 HydrophobicContact CZ3-CB 4.17Å
38S93.6Very high94.9Very high63 Ų6363.2 Ų63.244%0.44136%0.361SS..THydrogen-bonded Turntrans-75.8-22.4176.162.30000114.1C36C36-S38 PolarHBondContact O-N 2.91Å; C36-S38 PolarHBondContact SG-OG 2.91Å
39T94.2Very high94.7Very high63 Ų6363.9 Ų63.939%0.38737%0.368SS..THydrogen-bonded Turntrans-91.8-32177.460.90000112.5C36 P41 K42 L43C36-T39 PolarHBondContact O-N 3.1Å; C36-T39 PolarHBondContact O-OG1 3.3Å; T39-P41 VanDerWaalsContact O-N 3.14Å; T39-K42 PolarHBondContact O-N 3.08Å; T39-L43 PolarHBondContact O-N 3.33Å; T39-L43 VanDerWaalsContact O-N 3.11Å
40V96.2Very high94.6Very high1 Ų163.6 Ų63.61%0.00637%0.368CS..Hα-helixtrans-41.2-49179.8170.80000114.4L25 H34 W37 K42 L43 A44 C53L25-V40 HydrophobicContact CD1-CG1 3.59Å; H34-V40 WeakPolarHBondContact O-CG2 3.37Å; W37-V40 HydrophobicContact CE3-CB 4.46Å; W37-V40 HydrophobicContact CE3-CG1 4.46Å; W37-V40 HydrophobicContact CE3-CG2 4.2Å; W37-V40 HydrophobicContact CZ3-CG1 4.45Å; V40-K42 VanDerWaalsContact C-N 3.32Å; V40-K42 PolarHBondContact O-N 3.17Å; V40-L43 PolarHBondContact O-N 3.2Å; V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.75Å; V40-C53 HydrophobicContact CG1-CB 4.24Å
41P94.6Very high94.5Very high6 Ų666.9 Ų66.94%0.03937%0.373CS..Hα-helixtrans-63.7-38.2-177.3-13.824.9000112.8W37 T39 G45 L46 R48W37-P41 WeakPolarHBondContact O-CD 3.46Å; T39-P41 VanDerWaalsContact O-N 3.14Å; P41-G45 PolarHBondContact O-N 3.12Å; P41-L46 HydrophobicContact CB-CB 4.35Å; P41-L46 PolarHBondContact O-N 3.46Å; P41-R48 WeakPolarHBondContact CB-O 3.37Å; P41-R48 WeakPolarHBondContact CG-O 3.2Å
42K93.5Very high94.5Very high162 Ų16260.4 Ų60.470%0.70435%0.349SS*.Hα-helixtrans-69.1-43.6178.3-65.1-173175.1-172.40111.3T39 V40 G45T39-K42 PolarHBondContact O-N 3.08Å; V40-K42 VanDerWaalsContact C-N 3.32Å; V40-K42 PolarHBondContact O-N 3.17Å; K42-G45 PolarHBondContact O-N 2.91Å
43L94.8Very high94.5Very high115 Ų11554.5 Ų54.560%0.60232%0.321SS*.Hα-helixtrans-74-26.6-177.6-60.3175000113.1H28 T39 V40H28-L43 WeakPolarHBondContact CE1-CB 3.41Å; T39-L43 PolarHBondContact O-N 3.33Å; T39-L43 VanDerWaalsContact O-N 3.11Å; V40-L43 PolarHBondContact O-N 3.2Å
44A95.5Very high94.6Very high14 Ų1459.5 Ų59.512%0.11633%0.33CS..THydrogen-bonded Turntrans-90.3-3175.200000113.8H28 V40 L46H28-A44 HydrophobicContact CB-CB 3.59Å; V40-A44 WeakPolarHBondContact O-CB 3.47Å; V40-A44 PolarHBondContact O-N 2.75Å; A44-L46 HydrophobicContact CB-CD1 3.86Å; A44-L46 WeakPolarHBondContact O-CD1 3.39Å
45G94.5Very high94.8Very high52 Ų5260.4 Ų60.454%0.53634%0.337SS..THydrogen-bonded Turntrans70.829.3-178.100000114.7P41 K42P41-G45 PolarHBondContact O-N 3.12Å; K42-G45 PolarHBondContact O-N 2.91Å
46L94.7Very high95.1Very high9 Ų959.8 Ų59.85%0.04732%0.315CS..  trans-99.1134.3-179.7-92.165.8000112.3W17 K24 L25 P41 A44 R48W17-L46 HydrophobicContact CH2-CD2 3.67Å; W17-L46 HydrophobicContact CZ3-CD2 3.51Å; K24-L46 HydrophobicContact CB-CD1 3.45Å; K24-L46 VanDerWaalsContact CB-CD1 3.45Å; K24-L46 HydrophobicContact CD-CD1 4.12Å; K24-L46 HydrophobicContact CG-CD1 4.44Å; L25-L46 HydrophobicContact CB-CD2 4.04Å; P41-L46 HydrophobicContact CB-CB 4.35Å; P41-L46 PolarHBondContact O-N 3.46Å; A44-L46 HydrophobicContact CB-CD1 3.86Å; A44-L46 WeakPolarHBondContact O-CD1 3.39Å; L46-R48 HydrophobicContact CB-CB 4.34Å; L46-R48 HydrophobicContact CB-CG 4.4Å; L46-R48 HydrophobicContact CD2-CG 4.35Å; L46-R48 PolarHBondContact O-N 3.23Å
47Q93.6Very high95.3Very high96 Ų9657.4 Ų57.445%0.44930%0.295SS..SBendtrans-83.143.7170.9-60.6-60.8-24.100112L12 R13L12-Q47 CarbonylContact C-O 3.53Å; L12-Q47 WeakPolarHBondContact CA-O 3.32Å; R13-Q47 HydrophobicContact CG-CB 4.32Å; R13-Q47 PolarHBondContact N-O 2.79Å
48R94.4Very high95.3Very high16 Ų1658.6 Ų58.66%0.0630%0.303CS..SBendtrans-121.4164.4-177.4-61.9-62-174.3146.97.1110.8R13 G15 L16 W17 E21 P41 L46R13-R48 VanDerWaalsContact O-CD 3.26Å; R13-R48 WeakPolarHBondContact O-CD 3.37Å; R13-R48 PolarHBondContact O-NH1 3.47Å; G15-R48 PolarHBondContact O-NH1 3.28Å; L16-R48 PolarHBondContact O-NH2 2.83Å; W17-R48 HydrophobicContact CH2-CB 4.35Å; W17-R48 HydrophobicContact CH2-CG 4.01Å; W17-R48 HydrophobicContact CZ2-CB 4.44Å; W17-R48 HydrophobicContact CZ2-CG 4.1Å; E21-R48 IonicContact OE1-CZ 3.52Å; E21-R48 IonicContact OE1-NE 2.75Å; E21-R48 PolarHBondContact OE1-NE 3.23Å; E21-R48 IonicContact OE1-NH2 3.42Å; E21-R48 PolarHBondContact OE1-NH2 2.75Å; E21-R48 IonicContact OE2-CZ 3.47Å; E21-R48 IonicContact OE2-NE 3.46Å; E21-R48 PolarHBondContact OE2-NE 3.18Å; E21-R48 IonicContact OE2-NH2 2.66Å; E21-R48 PolarHBondContact OE2-NH2 2.88Å; P41-R48 WeakPolarHBondContact CB-O 3.37Å; P41-R48 WeakPolarHBondContact CG-O 3.2Å; L46-R48 HydrophobicContact CB-CB 4.34Å; L46-R48 HydrophobicContact CB-CG 4.4Å; L46-R48 HydrophobicContact CD2-CG 4.35Å; L46-R48 PolarHBondContact O-N 3.23Å
49C93.6Very high95.4Very high36 Ų3656.4 Ų56.424%0.24329%0.286CS..  trans-91.1153.6172.172.60000111.7C7 L12 K51 S52 C53C7-C49 WeakPolarHBondContact SG-CB 3.29Å; L12-C49 HydrophobicContact CD1-CB 4.09Å; C49-K51 VanDerWaalsContact C-N 3.26Å; C49-K51 PolarHBondContact O-N 2.8Å; C49-S52 WeakPolarHBondContact O-CA 3.2Å; C49-S52 VanDerWaalsContact O-CB 3.27Å; C49-S52 WeakPolarHBondContact O-CB 3.22Å; C49-S52 PolarHBondContact O-N 3.21Å; C49-C53 PolarHBondContact O-N 3.17Å; C49-C53 VanDerWaalsContact O-N 3.12Å
50G94.8Very high95.5Very high7 Ų759.3 Ų59.37%0.07229%0.291CS..Hα-helixtrans-56.5-34.8-177.300000115.1W37 S52 C53 R54W37-G50 WeakPolarHBondContact O-CA 3.24Å; G50-S52 VanDerWaalsContact C-N 3.33Å; G50-S52 PolarHBondContact O-N 3.5Å; G50-C53 PolarHBondContact O-N 3.28Å; G50-R54 PolarHBondContact O-N 2.69Å
51K94.4Very high95.6Very high178 Ų17860.4 Ų60.477%0.77430%0.297SS*.Hα-helixtrans-63.2-38.1173.5-175.5177.9178.3-1790111.9C49 L55C49-K51 VanDerWaalsContact C-N 3.26Å; C49-K51 PolarHBondContact O-N 2.8Å; K51-L55 WeakPolarHBondContact O-CB 3.29Å; K51-L55 PolarHBondContact O-N 3.49Å
52S95.1Very high95.6Very high31 Ų3165.4 Ų65.422%0.21732%0.315CS..Hα-helixtrans-67.2-47.4176.6-162.40000110.6W17 C49 G50 R54 L55 R56W17-S52 WeakPolarHBondContact CZ2-OG 3.49Å; C49-S52 WeakPolarHBondContact O-CA 3.2Å; C49-S52 VanDerWaalsContact O-CB 3.27Å; C49-S52 WeakPolarHBondContact O-CB 3.22Å; C49-S52 PolarHBondContact O-N 3.21Å; G50-S52 VanDerWaalsContact C-N 3.33Å; G50-S52 PolarHBondContact O-N 3.5Å; S52-R54 PolarHBondContact O-N 2.9Å; S52-L55 PolarHBondContact O-N 3.47Å; S52-R56 WeakPolarHBondContact O-CB 3.31Å; S52-R56 PolarHBondContact O-N 3.18Å
53C97.1Very high95.7Very high0 Ų062.3 Ų62.30%031%0.311CS..Hα-helixtrans-59.8-44.5177.2-59.20000112W17 L25 W37 V40 C49 G50 L55 R56 W57W17-C53 HydrophobicContact CH2-CB 4.42Å; L25-C53 HydrophobicContact CD1-CB 3.87Å; L25-C53 HydrophobicContact CD2-CB 4.16Å; W37-C53 HydrophobicContact CE3-CB 4.3Å; W37-C53 HydrophobicContact CZ3-CB 4.33Å; V40-C53 HydrophobicContact CG1-CB 4.24Å; C49-C53 PolarHBondContact O-N 3.17Å; C49-C53 VanDerWaalsContact O-N 3.12Å; G50-C53 PolarHBondContact O-N 3.28Å; C53-L55 PolarHBondContact O-N 3.05Å; C53-R56 PolarHBondContact O-N 2.83Å; C53-W57 WeakPolarHBondContact O-CB 3.41Å; C53-W57 PolarHBondContact O-N 3.02Å
54R97.5Very high95.6Very high139 Ų13960.8 Ų60.853%0.52530%0.304SS..Hα-helixtrans-58-48.4174.3-175.1175.2175.5177.8-1111.6W37 G50 S52 W57 I58W37-R54 HydrophobicContact CB-CB 4.43Å; W37-R54 HydrophobicContact CD2-CB 3.53Å; W37-R54 HydrophobicContact CD2-CG 3.85Å; W37-R54 VanDerWaalsContact CE3-CA 3.47Å; W37-R54 HydrophobicContact CE3-CB 3.68Å; W37-R54 HydrophobicContact CE3-CG 4.39Å; W37-R54 HydrophobicContact CG-CB 3.87Å; W37-R54 HydrophobicContact CG-CG 4.11Å; W37-R54 HydrophobicContact CZ2-CB 4.43Å; W37-R54 HydrophobicContact CZ2-CG 4.16Å; W37-R54 HydrophobicContact CZ3-CB 4.2Å; G50-R54 PolarHBondContact O-N 2.69Å; S52-R54 PolarHBondContact O-N 2.9Å; R54-W57 PolarHBondContact O-N 2.74Å; R54-I58 HydrophobicContact CG-CD1 4.49Å; R54-I58 WeakPolarHBondContact O-CG1 3.45Å; R54-I58 WeakPolarHBondContact O-CG2 3.41Å; R54-I58 PolarHBondContact O-N 3.04Å; R54-I58 VanDerWaalsContact O-N 3.11Å
55L96.5Very high95.6Very high104 Ų10461 Ų6155%0.54530%0.303SS..Hα-helixtrans-64.9-41.6-177.7-170.172.3000111.8K51 S52 C53 N59K51-L55 WeakPolarHBondContact O-CB 3.29Å; K51-L55 PolarHBondContact O-N 3.49Å; S52-L55 PolarHBondContact O-N 3.47Å; C53-L55 PolarHBondContact O-N 3.05Å; L55-N59 WeakPolarHBondContact CD1-ND2 3.14Å; L55-N59 WeakPolarHBondContact O-CB 3.38Å; L55-N59 PolarHBondContact O-N 2.9Å; L55-N59 PolarHBondContact O-ND2 3.15Å
56R97.8Very high95.7Very high52 Ų5262.5 Ų62.520%0.19630%0.295CS..Hα-helixtrans-65.4-45.5177.6-174.161.6171.9169.6-7.3111.7W17 D22 L25 S52 C53 Y60 L61W17-R56 HydrophobicContact CD2-CB 4.08Å; W17-R56 HydrophobicContact CD2-CG 3.6Å; W17-R56 HydrophobicContact CE3-CB 4.43Å; W17-R56 HydrophobicContact CE3-CG 3.8Å; W17-R56 HydrophobicContact CG-CG 4.03Å; W17-R56 HydrophobicContact CH2-CB 4.05Å; W17-R56 HydrophobicContact CH2-CG 4.26Å; W17-R56 HydrophobicContact CZ2-CB 3.64Å; W17-R56 HydrophobicContact CZ2-CG 4.08Å; W17-R56 HydrophobicContact CZ3-CB 4.4Å; W17-R56 HydrophobicContact CZ3-CG 4.11Å; D22-R56 VanDerWaalsContact OD1-CG 3.3Å; D22-R56 WeakPolarHBondContact OD1-CG 3.46Å; D22-R56 IonicContact OD1-CZ 2.71Å; D22-R56 IonicContact OD1-NE 3.64Å; D22-R56 PolarHBondContact OD1-NE 3.37Å; D22-R56 IonicContact OD1-NH2 3.62Å; D22-R56 IonicContact OD2-CZ 3.11Å; D22-R56 IonicContact OD2-NE 2.66Å; D22-R56 PolarHBondContact OD2-NE 3.05Å; D22-R56 IonicContact OD2-NH2 3.41Å; D22-R56 PolarHBondContact OD2-NH2 3.37Å; L25-R56 HydrophobicContact CD2-CB 4.21Å; L25-R56 HydrophobicContact CD2-CG 4.33Å; S52-R56 WeakPolarHBondContact O-CB 3.31Å; S52-R56 PolarHBondContact O-N 3.18Å; C53-R56 PolarHBondContact O-N 2.83Å; R56-Y60 WeakPolarHBondContact O-CB 3.24Å; R56-Y60 PolarHBondContact O-N 2.95Å; R56-Y60 VanDerWaalsContact O-N 3.13Å; R56-L61 HydrophobicContact CG-CD1 3.95Å; R56-L61 HydrophobicContact CG-CG 4.13Å; R56-L61 PolarHBondContact O-N 3.01Å
57W97.8Very high95.7Very high26 Ų2669.6 Ų69.610%0.09832%0.321CS..Iπ-helixtrans-58.2-57.6177.9-179.4-106.3000111.9M26 I29 W37 C53 R54 N59 L61 R62M26-W57 HydrophobicContact CB-CZ3 4.15Å; M26-W57 HydrophobicContact CG-CZ3 4.13Å; I29-W57 HydrophobicContact CB-CE3 4.47Å; I29-W57 HydrophobicContact CB-CH2 4.27Å; I29-W57 HydrophobicContact CB-CZ2 4.42Å; I29-W57 HydrophobicContact CB-CZ3 4.31Å; I29-W57 HydrophobicContact CD1-CB 4.19Å; I29-W57 HydrophobicContact CD1-CD2 3.59Å; I29-W57 HydrophobicContact CD1-CE3 3.67Å; I29-W57 HydrophobicContact CD1-CG 3.83Å; I29-W57 HydrophobicContact CD1-CZ3 4.33Å; I29-W57 HydrophobicContact CG2-CD2 4.28Å; I29-W57 HydrophobicContact CG2-CH2 3.88Å; I29-W57 HydrophobicContact CG2-CZ2 3.58Å; I29-W57 HydrophobicContact CG2-CZ3 4.34Å; W37-W57 HydrophobicContact CH2-CB 3.66Å; W37-W57 AromaticContact CH2-CD1 3.65Å; W37-W57 AromaticContact CH2-CG 3.73Å; W37-W57 HydrophobicContact CH2-CG 3.73Å; W37-W57 HydrophobicContact CZ3-CB 4.17Å; C53-W57 WeakPolarHBondContact O-CB 3.41Å; C53-W57 PolarHBondContact O-N 3.02Å; R54-W57 PolarHBondContact O-N 2.74Å; W57-N59 VanDerWaalsContact C-N 3.3Å; W57-N59 PolarHBondContact O-N 3.29Å; W57-L61 HydrophobicContact CE3-CB 3.64Å; W57-L61 HydrophobicContact CE3-CD1 4.42Å; W57-L61 HydrophobicContact CZ3-CB 3.95Å; W57-L61 PolarHBondContact O-N 3.21Å; W57-R62 HydrophobicContact CZ2-CB 4.45Å; W57-R62 HydrophobicContact CZ2-CG 4.38Å; W57-R62 WeakPolarHBondContact O-CB 3.3Å; W57-R62 PolarHBondContact O-N 2.98Å
58I96.4Very high95.7Very high60 Ų6067.8 Ų67.831%0.30833%0.328SS..Iπ-helixtrans-70.2-20.5-171.271.1-172000114.5R54 T100R54-I58 HydrophobicContact CG-CD1 4.49Å; R54-I58 WeakPolarHBondContact O-CG1 3.45Å; R54-I58 WeakPolarHBondContact O-CG2 3.41Å; R54-I58 PolarHBondContact O-N 3.04Å; R54-I58 VanDerWaalsContact O-N 3.11Å; I58-T100 WeakPolarHBondContact O-CG2 3.35Å
59N97.1Very high95.7Very high17 Ų1771.5 Ų71.59%0.09136%0.362CS..Iπ-helixtrans-103-17.1-178.4-70.7-87.8000114.8L55 W57 N102L55-N59 WeakPolarHBondContact CD1-ND2 3.14Å; L55-N59 WeakPolarHBondContact O-CB 3.38Å; L55-N59 PolarHBondContact O-N 2.9Å; L55-N59 PolarHBondContact O-ND2 3.15Å; W57-N59 VanDerWaalsContact C-N 3.3Å; W57-N59 PolarHBondContact O-N 3.29Å; N59-N102 WeakPolarHBondContact OD1-CB 3.48Å
60Y96.6Very high95.9Very high125 Ų12571.7 Ų71.749%0.4936%0.358SS..Iπ-helixtrans-139.3-48.1-169.8-58-83.2000114.1R56 R67R56-Y60 WeakPolarHBondContact O-CB 3.24Å; R56-Y60 PolarHBondContact O-N 2.95Å; R56-Y60 VanDerWaalsContact O-N 3.13Å; Y60-R67 PolarHBondContact O-NH2 3.38Å
61L96.8Very high96Very high23 Ų2373.5 Ų73.512%0.1237%0.37CS..Iπ-helixtrans-92.1-22.8-168.3-52.7-177.5000114.5D22 L25 R56 W57D22-L61 HydrophobicContact CB-CD1 3.91Å; D22-L61 HydrophobicContact CB-CD2 3.75Å; D22-L61 HydrophobicContact CB-CG 4.47Å; L25-L61 HydrophobicContact CB-CD1 4.3Å; L25-L61 HydrophobicContact CD2-CD1 3.84Å; L25-L61 HydrophobicContact CG-CD1 4.19Å; R56-L61 HydrophobicContact CG-CD1 3.95Å; R56-L61 HydrophobicContact CG-CG 4.13Å; R56-L61 PolarHBondContact O-N 3.01Å; W57-L61 HydrophobicContact CE3-CB 3.64Å; W57-L61 HydrophobicContact CE3-CD1 4.42Å; W57-L61 HydrophobicContact CZ3-CB 3.95Å; W57-L61 PolarHBondContact O-N 3.21Å
62R95.4Very high96Very high111 Ų11169.4 Ų69.442%0.41935%0.354SS..  trans-56.4132.8-179.3-167.8-172.2155.4155.6-3.5109.8W57 D64 L65 R67W57-R62 HydrophobicContact CZ2-CB 4.45Å; W57-R62 HydrophobicContact CZ2-CG 4.38Å; W57-R62 WeakPolarHBondContact O-CB 3.3Å; W57-R62 PolarHBondContact O-N 2.98Å; R62-D64 WeakPolarHBondContact CD-OD1 3.23Å; R62-D64 WeakPolarHBondContact CG-OD1 3.43Å; R62-D64 IonicContact CZ-OD1 3.18Å; R62-D64 IonicContact CZ-OD2 3.36Å; R62-D64 IonicContact NE-OD1 2.9Å; R62-D64 PolarHBondContact NE-OD1 3.06Å; R62-D64 IonicContact NE-OD2 3.73Å; R62-D64 PolarHBondContact NE-OD2 2.78Å; R62-D64 IonicContact NH2-OD1 2.68Å; R62-D64 IonicContact NH2-OD2 2.76Å; R62-D64 PolarHBondContact NH2-OD2 3.47Å; R62-D64 PolarHBondContact O-N 3.33Å; R62-L65 HydrophobicContact CB-CD1 4.04Å; R62-L65 HydrophobicContact CB-CG 4.12Å; R62-L65 WeakPolarHBondContact O-CG 3.47Å; R62-L65 PolarHBondContact O-N 2.89Å; R62-R67 PolarHBondContact O-NH2 2.93Å
63P94.5Very high96.1Very high97 Ų9774.6 Ų74.663%0.6338%0.375SS*.THydrogen-bonded Turntrans-68.1-31.2-165.922.8-33.9000114.2L65 R67P63-L65 VanDerWaalsContact C-N 3.27Å; P63-L65 PolarHBondContact O-N 3.48Å; P63-R67 PolarHBondContact O-NH1 3.03Å
64D94Very high96.2Very high83 Ų8375.4 Ų75.444%0.44438%0.378SS..THydrogen-bonded Turntrans-78.92.5-176.559.4-0.7000115.4R62 G98R62-D64 WeakPolarHBondContact CD-OD1 3.23Å; R62-D64 WeakPolarHBondContact CG-OD1 3.43Å; R62-D64 IonicContact CZ-OD1 3.18Å; R62-D64 IonicContact CZ-OD2 3.36Å; R62-D64 IonicContact NE-OD1 2.9Å; R62-D64 PolarHBondContact NE-OD1 3.06Å; R62-D64 IonicContact NE-OD2 3.73Å; R62-D64 PolarHBondContact NE-OD2 2.78Å; R62-D64 IonicContact NH2-OD1 2.68Å; R62-D64 IonicContact NH2-OD2 2.76Å; R62-D64 PolarHBondContact NH2-OD2 3.47Å; R62-D64 PolarHBondContact O-N 3.33Å; D64-G98 VanDerWaalsContact O-CA 3.23Å; D64-G98 WeakPolarHBondContact O-CA 3.27Å
65L95.9Very high96.1Very high18 Ų1869.9 Ų69.99%0.09436%0.358CS..  trans-71132.4175.9-61.4174.6000111.6R62 P63 R67 T100R62-L65 HydrophobicContact CB-CD1 4.04Å; R62-L65 HydrophobicContact CB-CG 4.12Å; R62-L65 WeakPolarHBondContact O-CG 3.47Å; R62-L65 PolarHBondContact O-N 2.89Å; P63-L65 VanDerWaalsContact C-N 3.27Å; P63-L65 PolarHBondContact O-N 3.48Å; L65-R67 WeakPolarHBondContact O-CD 3.23Å; L65-R67 PolarHBondContact O-N 3.4Å; L65-R67 PolarHBondContact O-NH1 2.92Å; L65-T100 HydrophobicContact CD2-CG2 3.56Å
66K95.8Very high96.1Very high85 Ų8568.9 Ų68.937%0.3735%0.354SS..  trans-77.2114.4173-76.5168.5169.9164.40109.7E74 P97 G98 R99K66-E74 IonicContact NZ-OE1 2.78Å; K66-E74 PolarHBondContact NZ-OE1 3.04Å; K66-P97 WeakPolarHBondContact CD-O 3.37Å; K66-P97 WeakPolarHBondContact CE-O 3.28Å; K66-P97 PolarHBondContact NZ-O 2.89Å; K66-G98 PolarHBondContact N-O 3.36Å; K66-R99 HydrophobicContact CD-CG 4.46Å; K66-R99 PolarHBondContact O-NH1 3.2Å
67R94Very high96.1Very high158 Ų15869 Ų6960%0.59636%0.358SS*.  trans-88.7116.9171.7-66.889.1-173167.40.7108.9Y60 R62 P63 L65Y60-R67 PolarHBondContact O-NH2 3.38Å; R62-R67 PolarHBondContact O-NH2 2.93Å; P63-R67 PolarHBondContact O-NH1 3.03Å; L65-R67 WeakPolarHBondContact O-CD 3.23Å; L65-R67 PolarHBondContact O-N 3.4Å; L65-R67 PolarHBondContact O-NH1 2.92Å
68G93.3Very high96.1Very high57 Ų5767.8 Ų67.859%0.58835%0.353SS*.SBendtrans141.6176.2177.900000113.6R99G68-R99 PolarHBondContact O-NH1 3.34Å
69A95.5Very high96.2Very high94 Ų9466.5 Ų66.578%0.77735%0.348SS*.PPolyproline II helixtrans-58.2158.3175.800000112.3R99A69-R99 PolarHBondContact O-NH2 3.46Å
70F97.1Very high96.1Very high40 Ų4071.7 Ų71.718%0.17537%0.372CS..PPolyproline II helixtrans-73.5145.8171.5-77.1-99.5000110.7E74 E75 I78 R99 E103 I104 L107F70-E74 WeakPolarHBondContact CA-OE2 3.25Å; F70-E74 HydrophobicContact CD1-CB 3.94Å; F70-E75 HydrophobicContact CB-CG 4.41Å; F70-I78 HydrophobicContact CD1-CD1 4.03Å; F70-I78 HydrophobicContact CE1-CD1 3.82Å; F70-R99 HydrophobicContact CD1-CG 4.45Å; F70-R99 HydrophobicContact CE1-CB 4.28Å; F70-R99 HydrophobicContact CE1-CG 3.77Å; F70-R99 HydrophobicContact CZ-CG 4.34Å; F70-E103 HydrophobicContact CE2-CB 4.12Å; F70-E103 HydrophobicContact CZ-CB 3.8Å; F70-I104 HydrophobicContact CE1-CG1 4.27Å; F70-I104 HydrophobicContact CZ-CG1 4.38Å; F70-L107 HydrophobicContact CB-CD1 4.38Å; F70-L107 HydrophobicContact CB-CD2 3.95Å; F70-L107 HydrophobicContact CD1-CD2 3.55Å; F70-L107 HydrophobicContact CD2-CB 4.3Å; F70-L107 HydrophobicContact CD2-CD1 3.85Å; F70-L107 HydrophobicContact CD2-CD2 3.64Å; F70-L107 HydrophobicContact CD2-CG 4.14Å; F70-L107 HydrophobicContact CE1-CD2 3.85Å; F70-L107 HydrophobicContact CE2-CB 4.03Å; F70-L107 HydrophobicContact CE2-CD1 4.42Å; F70-L107 HydrophobicContact CE2-CD2 3.94Å; F70-L107 HydrophobicContact CE2-CG 4.36Å; F70-L107 HydrophobicContact CG-CD1 4.22Å; F70-L107 HydrophobicContact CG-CD2 3.42Å; F70-L107 VanDerWaalsContact CG-CD2 3.42Å; F70-L107 HydrophobicContact CG-CG 4.36Å; F70-L107 HydrophobicContact CZ-CB 4.36Å; F70-L107 HydrophobicContact CZ-CD2 4.03Å
71S96.5Very high96.2Very high45 Ų4567 Ų6732%0.31536%0.355SS..PPolyproline II helixtrans-80163.9168.986.40000110.7E73 E74 E75S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.42Å; S71-E73 PolarHBondContact O-N 3.2Å; S71-E73 PolarHBondContact OG-OE2 3.17Å; S71-E74 PolarHBondContact N-OE2 2.87Å; S71-E74 VanDerWaalsContact N-OE2 3.11Å; S71-E74 PolarHBondContact O-N 3.07Å; S71-E74 PolarHBondContact OG-N 3.22Å; S71-E75 PolarHBondContact O-N 3.02Å
72Q96.1Very high96.2Very high92 Ų9266.2 Ų66.243%0.4335%0.351SS..Hα-helixtrans-67.7-34.1-179.7-174.453.353.300111.2E75 D76Q72-E75 PolarHBondContact O-N 3.41Å; Q72-D76 PolarHBondContact NE2-OD1 3.15Å; Q72-D76 PolarHBondContact NE2-OD2 3.06Å; Q72-D76 PolarHBondContact O-N 3.46Å
73E97.3Very high96.2Very high141 Ų14163.7 Ų63.766%0.65935%0.354SS*.Hα-helixtrans-66-36.5173.3-46.880.7178.600111.9S71 L77S71-E73 VanDerWaalsContact C-N 3.29Å; S71-E73 WeakPolarHBondContact CB-OE2 3.42Å; S71-E73 PolarHBondContact O-N 3.2Å; S71-E73 PolarHBondContact OG-OE2 3.17Å; E73-L77 VanDerWaalsContact O-CB 3.26Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 PolarHBondContact O-N 2.96Å; E73-L77 VanDerWaalsContact O-N 3.1Å
74E97.5Very high96.3Very high17 Ų1764.7 Ų64.78%0.07936%0.358CS..Hα-helixtrans-67.8-38.2171.3-68.4180140.600111.6K66 F70 S71 I78 L96 R99K66-E74 IonicContact NZ-OE1 2.78Å; K66-E74 PolarHBondContact NZ-OE1 3.04Å; F70-E74 WeakPolarHBondContact CA-OE2 3.25Å; F70-E74 HydrophobicContact CD1-CB 3.94Å; S71-E74 PolarHBondContact N-OE2 2.87Å; S71-E74 VanDerWaalsContact N-OE2 3.11Å; S71-E74 PolarHBondContact O-N 3.07Å; S71-E74 PolarHBondContact OG-N 3.22Å; E74-I78 VanDerWaalsContact O-CD1 3.24Å; E74-I78 WeakPolarHBondContact O-CD1 3.45Å; E74-I78 WeakPolarHBondContact O-CG1 3.49Å; E74-I78 PolarHBondContact O-N 3.25Å; E74-L96 HydrophobicContact CB-CD2 4Å; E74-L96 HydrophobicContact CG-CD2 4.03Å; E74-R99 IonicContact OE1-CZ 3.33Å; E74-R99 IonicContact OE1-NE 3.12Å; E74-R99 PolarHBondContact OE1-NE 3.43Å; E74-R99 VanDerWaalsContact OE1-NE 3.11Å; E74-R99 IonicContact OE1-NH2 2.71Å; E74-R99 IonicContact OE2-CZ 3.9Å; E74-R99 IonicContact OE2-NE 3.73Å; E74-R99 PolarHBondContact OE2-NE 3.44Å; E74-R99 VanDerWaalsContact OE2-NE 3.12Å; E74-R99 IonicContact OE2-NH2 3.9Å; E74-R99 PolarHBondContact OE2-NH2 2.87Å
75E97Very high96.4Very high22 Ų2263.3 Ų63.310%0.10335%0.35CS..Hα-helixtrans-64.3-48174.3-87.5-159.2-13700112.6F70 S71 Q72 I78 V79 L107 K115F70-E75 HydrophobicContact CB-CG 4.41Å; S71-E75 PolarHBondContact O-N 3.02Å; Q72-E75 PolarHBondContact O-N 3.41Å; E75-I78 WeakPolarHBondContact O-CB 3.24Å; E75-I78 PolarHBondContact O-N 2.98Å; E75-I78 VanDerWaalsContact O-N 3.15Å; E75-V79 PolarHBondContact O-N 3.08Å; E75-L107 HydrophobicContact CG-CD1 4.5Å; E75-L107 HydrophobicContact CG-CD2 3.92Å; E75-K115 IonicContact OE1-NZ 2.8Å; E75-K115 PolarHBondContact OE1-NZ 3.25Å; E75-K115 WeakPolarHBondContact OE2-CD 3.36Å; E75-K115 IonicContact OE2-NZ 2.69Å; E75-K115 PolarHBondContact OE2-NZ 3.41Å
76D96.7Very high96.4Very high83 Ų8363.5 Ų63.544%0.44436%0.357SS..Hα-helixtrans-67.4-38.6-177-68.5-37.1000111.6Q72 I78 V79 E80Q72-D76 PolarHBondContact NE2-OD1 3.15Å; Q72-D76 PolarHBondContact NE2-OD2 3.06Å; Q72-D76 PolarHBondContact O-N 3.46Å; D76-I78 VanDerWaalsContact C-N 3.3Å; D76-I78 PolarHBondContact O-N 3.36Å; D76-V79 WeakPolarHBondContact O-CB 3.22Å; D76-V79 PolarHBondContact O-N 3.41Å; D76-V79 VanDerWaalsContact O-N 3.15Å; D76-E80 PolarHBondContact O-N 2.96Å
77L97.7Very high96.4Very high55 Ų5564.5 Ų64.529%0.28837%0.366SS..Hα-helixtrans-64.6-32.1172.4-178.260.4000112.4E73 L81 L96E73-L77 VanDerWaalsContact O-CB 3.26Å; E73-L77 WeakPolarHBondContact O-CB 3.48Å; E73-L77 PolarHBondContact O-N 2.96Å; E73-L77 VanDerWaalsContact O-N 3.1Å; L77-L81 HydrophobicContact CD1-CD1 3.83Å; L77-L81 HydrophobicContact CD1-CG 3.95Å; L77-L81 HydrophobicContact CG-CD1 3.81Å; L77-L81 HydrophobicContact CG-CG 4.34Å; L77-L81 VanDerWaalsContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CB 3.15Å; L77-L81 VanDerWaalsContact O-CG 3.22Å; L77-L81 WeakPolarHBondContact O-CG 3.18Å; L77-L81 PolarHBondContact O-N 2.92Å; L77-L96 HydrophobicContact CD2-CD2 3.92Å; L77-L96 HydrophobicContact CD2-CG 4.3Å; L77-L96 HydrophobicContact CG-CD2 4.45Å
78I97.9Very high96.6Very high0 Ų064.2 Ų64.20%037%0.365CS..Hα-helixtrans-68.6-37.3172.9-70.7162.6000111F70 E74 E75 D76 H82 I92 L96 I104 L107 W108 I112F70-I78 HydrophobicContact CD1-CD1 4.03Å; F70-I78 HydrophobicContact CE1-CD1 3.82Å; E74-I78 VanDerWaalsContact O-CD1 3.24Å; E74-I78 WeakPolarHBondContact O-CD1 3.45Å; E74-I78 WeakPolarHBondContact O-CG1 3.49Å; E74-I78 PolarHBondContact O-N 3.25Å; E75-I78 WeakPolarHBondContact O-CB 3.24Å; E75-I78 PolarHBondContact O-N 2.98Å; E75-I78 VanDerWaalsContact O-N 3.15Å; D76-I78 VanDerWaalsContact C-N 3.3Å; D76-I78 PolarHBondContact O-N 3.36Å; I78-H82 VanDerWaalsContact O-CB 3.23Å; I78-H82 WeakPolarHBondContact O-CB 3.26Å; I78-H82 PolarHBondContact O-N 3.12Å; I78-I92 HydrophobicContact CG1-CG2 4.48Å; I78-L96 HydrophobicContact CD1-CD1 3.97Å; I78-L96 HydrophobicContact CG1-CD1 3.43Å; I78-L96 VanDerWaalsContact CG1-CD1 3.43Å; I78-L96 HydrophobicContact CG1-CD2 4.44Å; I78-I104 HydrophobicContact CD1-CB 4.44Å; I78-I104 HydrophobicContact CD1-CG1 4.07Å; I78-I104 HydrophobicContact CD1-CG2 3.99Å; I78-I104 HydrophobicContact CG1-CG2 3.98Å; I78-I104 HydrophobicContact CG2-CG2 3.95Å; I78-L107 HydrophobicContact CD1-CD2 3.62Å; I78-W108 HydrophobicContact CG2-CE3 4.35Å; I78-I112 HydrophobicContact CB-CD1 4.13Å; I78-I112 HydrophobicContact CG2-CD1 3.61Å
79V96.9Very high96.9Very high33 Ų3362.9 Ų62.920%0.234%0.342CS..Hα-helixtrans-63.4-51.2174.7173.20000110.6E75 D76 H82 A83 I112 L116 H126E75-V79 PolarHBondContact O-N 3.08Å; D76-V79 WeakPolarHBondContact O-CB 3.22Å; D76-V79 PolarHBondContact O-N 3.41Å; D76-V79 VanDerWaalsContact O-N 3.15Å; V79-H82 PolarHBondContact O-N 2.86Å; V79-A83 PolarHBondContact O-N 3.46Å; V79-I112 HydrophobicContact CG2-CG2 3.58Å; V79-L116 HydrophobicContact CG1-CD2 4.41Å; V79-H126 PolarHBondContact O-CE1 3.07Å; V79-H126 VanDerWaalsContact O-CE1 3.23Å
80E96.6Very high97Very high127 Ų12762.3 Ų62.359%0.59333%0.333SS*.Hα-helixtrans-57.6-52.1178.2-174-171.6174.600111.7D76 H82 A83 V84D76-E80 PolarHBondContact O-N 2.96Å; E80-H82 VanDerWaalsContact C-N 3.31Å; E80-H82 PolarHBondContact O-N 3.38Å; E80-A83 WeakPolarHBondContact O-CB 3.39Å; E80-A83 PolarHBondContact O-N 2.75Å; E80-V84 PolarHBondContact O-N 2.75Å
81L97.6Very high97Very high27 Ų2764.8 Ų64.814%0.14135%0.345CS..Hα-helixtrans-66.9-30.6-179.4-67.8171.9000112.6L77 A83 V84 L85 I92 R95L77-L81 HydrophobicContact CD1-CD1 3.83Å; L77-L81 HydrophobicContact CD1-CG 3.95Å; L77-L81 HydrophobicContact CG-CD1 3.81Å; L77-L81 HydrophobicContact CG-CG 4.34Å; L77-L81 VanDerWaalsContact O-CB 3.3Å; L77-L81 WeakPolarHBondContact O-CB 3.15Å; L77-L81 VanDerWaalsContact O-CG 3.22Å; L77-L81 WeakPolarHBondContact O-CG 3.18Å; L77-L81 PolarHBondContact O-N 2.92Å; L81-A83 VanDerWaalsContact C-N 3.34Å; L81-V84 PolarHBondContact O-N 3.46Å; L81-L85 VanDerWaalsContact O-CB 3.28Å; L81-L85 WeakPolarHBondContact O-CB 3.3Å; L81-L85 PolarHBondContact O-N 3.34Å; L81-I92 HydrophobicContact CB-CD1 4.46Å; L81-I92 HydrophobicContact CB-CG1 4.09Å; L81-I92 HydrophobicContact CB-CG2 4.04Å; L81-I92 HydrophobicContact CD1-CG2 4.01Å; L81-R95 HydrophobicContact CD1-CB 3.62Å; L81-R95 HydrophobicContact CD1-CG 3.81Å; L81-R95 HydrophobicContact CD2-CG 4.32Å
82H97.5Very high97.1Very high6 Ų662.6 Ų62.63%0.02833%0.33CS..Hα-helixtrans-68.5-32.2171.8-170.5-96.3000112.1I78 V79 E80 V84 G86 W89 I92 W108 H126I78-H82 VanDerWaalsContact O-CB 3.23Å; I78-H82 WeakPolarHBondContact O-CB 3.26Å; I78-H82 PolarHBondContact O-N 3.12Å; V79-H82 PolarHBondContact O-N 2.86Å; E80-H82 VanDerWaalsContact C-N 3.31Å; E80-H82 PolarHBondContact O-N 3.38Å; H82-V84 VanDerWaalsContact C-N 3.31Å; H82-V84 PolarHBondContact O-N 3.37Å; H82-G86 PolarHBondContact CD2-O 2.66Å; H82-G86 VanDerWaalsContact O-CA 3.22Å; H82-G86 WeakPolarHBondContact O-CA 3.45Å; H82-G86 PolarHBondContact O-N 2.91Å; H82-W89 AromaticContact CD2-CH2 3.53Å; H82-W89 AromaticContact CD2-CZ3 3.95Å; H82-W89 AromaticContact NE2-CH2 3.93Å; H82-I92 HydrophobicContact CB-CD1 4.48Å; H82-W108 HydrophobicContact CB-CE3 4.4Å; H82-W108 HydrophobicContact CB-CH2 4.14Å; H82-W108 HydrophobicContact CB-CZ3 3.93Å; H82-W108 AromaticContact CE1-CE2 3.83Å; H82-W108 AromaticContact CE1-CH2 3.78Å; H82-W108 AromaticContact CE1-CZ2 3.29Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.14Å; H82-W108 AromaticContact CG-CH2 3.65Å; H82-W108 AromaticContact CG-CZ2 3.82Å; H82-W108 AromaticContact CG-CZ3 3.86Å; H82-W108 AromaticContact ND1-CE2 3.98Å; H82-W108 AromaticContact ND1-CH2 3.2Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.3Å; H82-W108 AromaticContact ND1-CZ2 3.24Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.5Å; H82-W108 AromaticContact ND1-CZ3 3.9Å; H82-W108 AromaticContact NE2-CE2 3.94Å; H82-W108 AromaticContact NE2-CZ2 3.86Å; H82-H126 AromaticContact CG-NE2 3.93Å; H82-H126 AromaticContact ND1-CE1 3.95Å; H82-H126 AromaticContact ND1-NE2 3.23Å; H82-H126 PolarHBondContact ND1-NE2 3.11Å
83A95.5Very high97.2Very high58 Ų5859.3 Ų59.348%0.47932%0.318SS..Hα-helixtrans-65.6-34.2176.800000112.7V79 E80 L81 H126V79-A83 PolarHBondContact O-N 3.46Å; E80-A83 WeakPolarHBondContact O-CB 3.39Å; E80-A83 PolarHBondContact O-N 2.75Å; L81-A83 VanDerWaalsContact C-N 3.34Å; A83-H126 VanDerWaalsContact CA-CD2 3.41Å; A83-H126 WeakPolarHBondContact CA-CD2 3.32Å; A83-H126 VanDerWaalsContact CA-NE2 3.31Å; A83-H126 WeakPolarHBondContact CA-NE2 3.34Å; A83-H126 HydrophobicContact CB-CB 4.43Å; A83-H126 VanDerWaalsContact CB-CD2 3.49Å; A83-H126 WeakPolarHBondContact CB-CD2 3.18Å; A83-H126 PolarHBondContact N-NE2 3.46Å; A83-H126 VanDerWaalsContact N-NE2 3.18Å
84V96.1Very high97.1Very high118 Ų11857.5 Ų57.572%0.71532%0.317SS*.Hα-helixtrans-88.5-39.6179.4-177.20000112.7E80 L81 H82E80-V84 PolarHBondContact O-N 2.75Å; L81-V84 PolarHBondContact O-N 3.46Å; H82-V84 VanDerWaalsContact C-N 3.31Å; H82-V84 PolarHBondContact O-N 3.37Å
85L96.4Very high97.1Very high53 Ų5364.8 Ų64.828%0.27734%0.344SS..Hα-helixtrans-106.9-17.1-170-57.1176.3000114.4L81 R88 Q91 I92L81-L85 VanDerWaalsContact O-CB 3.28Å; L81-L85 WeakPolarHBondContact O-CB 3.3Å; L81-L85 PolarHBondContact O-N 3.34Å; L85-R88 HydrophobicContact CB-CB 4.29Å; L85-R88 VanDerWaalsContact O-CD 3.25Å; L85-R88 WeakPolarHBondContact O-CD 3.26Å; L85-R88 VanDerWaalsContact O-CG 3.23Å; L85-R88 WeakPolarHBondContact O-CG 3.07Å; L85-R88 PolarHBondContact O-NE 2.72Å; L85-Q91 HydrophobicContact CD1-CB 4.16Å; L85-I92 HydrophobicContact CD1-CG1 4.08Å
86G95.7Very high97.1Very high23 Ų2364 Ų6424%0.23734%0.34CS..SBendtrans61.1-147.1-169.700000112.6H82 R88 I92H82-G86 PolarHBondContact CD2-O 2.66Å; H82-G86 VanDerWaalsContact O-CA 3.22Å; H82-G86 WeakPolarHBondContact O-CA 3.45Å; H82-G86 PolarHBondContact O-N 2.91Å; G86-R88 PolarHBondContact O-N 3.42Å; G86-I92 WeakPolarHBondContact O-CD1 3.38Å
87N96.9Very high97.1Very high105 Ų10564.8 Ų64.856%0.56135%0.35SS*.SBendtrans-67.724.4-175.1-64.9-85.4000115.6W89N87-W89 HydrophobicContact CB-CZ2 4.13Å; N87-W89 VanDerWaalsContact O-CD1 3.24Å; N87-W89 PolarHBondContact O-N 2.9Å; N87-W89 PolarHBondContact O-NE1 3.44Å; N87-W89 VanDerWaalsContact OD1-CZ2 3.24Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.33Å
88R97.5Very high97Very high153 Ų15363.1 Ų63.158%0.57735%0.346SS*.  trans-83.858.4-178.8-63.4178.1-167.5-96.72.8111.5L85 G86 S90 Q91 I92L85-R88 HydrophobicContact CB-CB 4.29Å; L85-R88 VanDerWaalsContact O-CD 3.25Å; L85-R88 WeakPolarHBondContact O-CD 3.26Å; L85-R88 VanDerWaalsContact O-CG 3.23Å; L85-R88 WeakPolarHBondContact O-CG 3.07Å; L85-R88 PolarHBondContact O-NE 2.72Å; G86-R88 PolarHBondContact O-N 3.42Å; R88-S90 VanDerWaalsContact C-N 3.25Å; R88-S90 PolarHBondContact O-N 2.71Å; R88-S90 VanDerWaalsContact O-N 3.08Å; R88-Q91 HydrophobicContact CB-CB 4.28Å; R88-Q91 HydrophobicContact CB-CG 4.47Å; R88-Q91 WeakPolarHBondContact O-CA 3.49Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 3.12Å; R88-I92 PolarHBondContact O-N 3.11Å; R88-I92 VanDerWaalsContact O-N 3.12Å
89W98.3Very high97Very high28 Ų2864.1 Ų64.111%0.10635%0.349CS..Hα-helixtrans-50.6-38.3-170.7-53.2117.6000114.9H82 N87 Q91 I92 A93 D101 I104 K105 W108H82-W89 AromaticContact CD2-CH2 3.53Å; H82-W89 AromaticContact CD2-CZ3 3.95Å; H82-W89 AromaticContact NE2-CH2 3.93Å; N87-W89 HydrophobicContact CB-CZ2 4.13Å; N87-W89 VanDerWaalsContact O-CD1 3.24Å; N87-W89 PolarHBondContact O-N 2.9Å; N87-W89 PolarHBondContact O-NE1 3.44Å; N87-W89 VanDerWaalsContact OD1-CZ2 3.24Å; N87-W89 WeakPolarHBondContact OD1-CZ2 3.33Å; W89-Q91 VanDerWaalsContact C-N 3.33Å; W89-Q91 PolarHBondContact O-N 3.07Å; W89-I92 HydrophobicContact CE3-CD1 3.95Å; W89-I92 HydrophobicContact CZ3-CD1 3.99Å; W89-I92 PolarHBondContact O-N 2.8Å; W89-A93 WeakPolarHBondContact O-CB 3.41Å; W89-A93 PolarHBondContact O-N 2.66Å; W89-D101 HydrophobicContact CB-CB 3.85Å; W89-I104 HydrophobicContact CE3-CG2 3.74Å; W89-I104 HydrophobicContact CZ3-CG2 4.07Å; W89-K105 HydrophobicContact CD2-CB 3.87Å; W89-K105 HydrophobicContact CD2-CG 4.44Å; W89-K105 HydrophobicContact CE3-CB 4.48Å; W89-K105 HydrophobicContact CG-CB 3.87Å; W89-K105 HydrophobicContact CG-CG 4.41Å; W89-W108 HydrophobicContact CH2-CB 3.71Å; W89-W108 AromaticContact CH2-CD1 3.39Å; W89-W108 AromaticContact CH2-CD2 3.85Å; W89-W108 HydrophobicContact CH2-CD2 3.85Å; W89-W108 AromaticContact CH2-CG 3.36Å; W89-W108 HydrophobicContact CH2-CG 3.36Å; W89-W108 AromaticContact CH2-NE1 3.87Å; W89-W108 HydrophobicContact CZ2-CB 4.44Å; W89-W108 AromaticContact CZ2-CD1 3.72Å; W89-W108 HydrophobicContact CZ2-CG 4.1Å; W89-W108 HydrophobicContact CZ3-CB 4.05Å; W89-W108 HydrophobicContact CZ3-CG 4.1Å
90S97.5Very high97Very high83 Ų8363 Ų6358%0.5834%0.343SS*.Hα-helixtrans-68.6-26.9177.753.90000114R88 T94R88-S90 VanDerWaalsContact C-N 3.25Å; R88-S90 PolarHBondContact O-N 2.71Å; R88-S90 VanDerWaalsContact O-N 3.08Å; S90-T94 WeakPolarHBondContact O-CG2 3.26Å
91Q98Very high97.1Very high91 Ų9160 Ų6043%0.42533%0.331SS..Hα-helixtrans-79.6-42.1171.3-67.9-176.9-31.600111L85 R88 W89 A93 T94L85-Q91 HydrophobicContact CD1-CB 4.16Å; R88-Q91 HydrophobicContact CB-CB 4.28Å; R88-Q91 HydrophobicContact CB-CG 4.47Å; R88-Q91 WeakPolarHBondContact O-CA 3.49Å; R88-Q91 WeakPolarHBondContact O-CB 3.45Å; R88-Q91 PolarHBondContact O-N 3.12Å; W89-Q91 VanDerWaalsContact C-N 3.33Å; W89-Q91 PolarHBondContact O-N 3.07Å; Q91-A93 VanDerWaalsContact C-N 3.29Å; Q91-A93 PolarHBondContact O-N 2.71Å; Q91-T94 WeakPolarHBondContact O-CB 3.26Å; Q91-T94 PolarHBondContact O-N 3.21Å; Q91-T94 PolarHBondContact O-OG1 2.56Å
92I98.3Very high97.1Very high0 Ų060.6 Ų60.60%033%0.334CS..Hα-helixtrans-58.4-43175.9-60.6178.5000110.4I78 L81 H82 L85 G86 R88 W89 T94 R95 L96 I104I78-I92 HydrophobicContact CG1-CG2 4.48Å; L81-I92 HydrophobicContact CB-CD1 4.46Å; L81-I92 HydrophobicContact CB-CG1 4.09Å; L81-I92 HydrophobicContact CB-CG2 4.04Å; L81-I92 HydrophobicContact CD1-CG2 4.01Å; H82-I92 HydrophobicContact CB-CD1 4.48Å; L85-I92 HydrophobicContact CD1-CG1 4.08Å; G86-I92 WeakPolarHBondContact O-CD1 3.38Å; R88-I92 PolarHBondContact O-N 3.11Å; R88-I92 VanDerWaalsContact O-N 3.12Å; W89-I92 HydrophobicContact CE3-CD1 3.95Å; W89-I92 HydrophobicContact CZ3-CD1 3.99Å; W89-I92 PolarHBondContact O-N 2.8Å; I92-T94 PolarHBondContact O-N 3.22Å; I92-T94 VanDerWaalsContact O-N 3.13Å; I92-R95 PolarHBondContact O-N 3.1Å; I92-L96 HydrophobicContact CG2-CD1 3.86Å; I92-I104 HydrophobicContact CG2-CD1 4.44Å; I92-I104 HydrophobicContact CG2-CG2 4Å
93A97.7Very high97.1Very high22 Ų2262.5 Ų62.518%0.18234%0.343CS..G310 helixtrans-57.7-25.5176.100000114.4W89 Q91 R95 L96 D101 I104W89-A93 WeakPolarHBondContact O-CB 3.41Å; W89-A93 PolarHBondContact O-N 2.66Å; Q91-A93 VanDerWaalsContact C-N 3.29Å; Q91-A93 PolarHBondContact O-N 2.71Å; A93-R95 PolarHBondContact O-N 3.46Å; A93-L96 PolarHBondContact O-N 2.82Å; A93-D101 HydrophobicContact CB-CB 4.24Å; A93-I104 HydrophobicContact CB-CD1 3.81Å
94T96.8Very high97.2Very high104 Ų10459.8 Ų59.864%0.63832%0.32SS*.G310 helixtrans-66-16.3176.669.80000113.7S90 Q91 I92S90-T94 WeakPolarHBondContact O-CG2 3.26Å; Q91-T94 WeakPolarHBondContact O-CB 3.26Å; Q91-T94 PolarHBondContact O-N 3.21Å; Q91-T94 PolarHBondContact O-OG1 2.56Å; I92-T94 PolarHBondContact O-N 3.22Å; I92-T94 VanDerWaalsContact O-N 3.13Å
95R97.1Very high97.3Very high170 Ų17057 Ų5764%0.64230%0.299SS*.G310 helixtrans-101.2-7.6180-54.6-53.6-171.9172.93.3113.6L81 I92 A93 P97L81-R95 HydrophobicContact CD1-CB 3.62Å; L81-R95 HydrophobicContact CD1-CG 3.81Å; L81-R95 HydrophobicContact CD2-CG 4.32Å; I92-R95 PolarHBondContact O-N 3.1Å; A93-R95 PolarHBondContact O-N 3.46Å; R95-P97 VanDerWaalsContact O-CD 3.3Å; R95-P97 WeakPolarHBondContact O-CD 3.42Å
96L97Very high97.3Very high4 Ų458.1 Ų58.12%0.02131%0.305CS..SBendtrans-118.480.7-173.5-71.5152000109.7E74 L77 I78 I92 A93 G98 R99 I104E74-L96 HydrophobicContact CB-CD2 4Å; E74-L96 HydrophobicContact CG-CD2 4.03Å; L77-L96 HydrophobicContact CD2-CD2 3.92Å; L77-L96 HydrophobicContact CD2-CG 4.3Å; L77-L96 HydrophobicContact CG-CD2 4.45Å; I78-L96 HydrophobicContact CD1-CD1 3.97Å; I78-L96 HydrophobicContact CG1-CD1 3.43Å; I78-L96 VanDerWaalsContact CG1-CD1 3.43Å; I78-L96 HydrophobicContact CG1-CD2 4.44Å; I92-L96 HydrophobicContact CG2-CD1 3.86Å; A93-L96 PolarHBondContact O-N 2.82Å; L96-G98 PolarHBondContact O-N 2.81Å; L96-R99 HydrophobicContact CB-CB 4.03Å; L96-R99 HydrophobicContact CB-CG 4.27Å; L96-R99 PolarHBondContact O-N 2.88Å; L96-I104 HydrophobicContact CB-CD1 4.29Å; L96-I104 HydrophobicContact CD1-CD1 3.55Å; L96-I104 HydrophobicContact CD1-CG1 4.05Å
97P95.6Very high97.4Very high101 Ų10158.2 Ų58.266%0.65630%0.3SS*.THydrogen-bonded Turntrans-59.3127-173.623.5-33.6000111.2K66 R95K66-P97 WeakPolarHBondContact CD-O 3.37Å; K66-P97 WeakPolarHBondContact CE-O 3.28Å; K66-P97 PolarHBondContact NZ-O 2.89Å; R95-P97 VanDerWaalsContact O-CD 3.3Å; R95-P97 WeakPolarHBondContact O-CD 3.42Å
98G95.9Very high97.4Very high19 Ų1953.4 Ų53.420%0.19627%0.274CS..THydrogen-bonded Turntrans83.15-177.200000115.7D64 K66 L96D64-G98 VanDerWaalsContact O-CA 3.23Å; D64-G98 WeakPolarHBondContact O-CA 3.27Å; K66-G98 PolarHBondContact N-O 3.36Å; L96-G98 PolarHBondContact O-N 2.81Å
99R97.6Very high97.4Very high21 Ų2149.5 Ų49.58%0.07926%0.264CS..  trans-109.7143.9172.6-58.8-60.9-174.1174.22.6111.4K66 G68 A69 F70 E74 L96 E103 I104K66-R99 HydrophobicContact CD-CG 4.46Å; K66-R99 PolarHBondContact O-NH1 3.2Å; G68-R99 PolarHBondContact O-NH1 3.34Å; A69-R99 PolarHBondContact O-NH2 3.46Å; F70-R99 HydrophobicContact CD1-CG 4.45Å; F70-R99 HydrophobicContact CE1-CB 4.28Å; F70-R99 HydrophobicContact CE1-CG 3.77Å; F70-R99 HydrophobicContact CZ-CG 4.34Å; E74-R99 IonicContact OE1-CZ 3.33Å; E74-R99 IonicContact OE1-NE 3.12Å; E74-R99 PolarHBondContact OE1-NE 3.43Å; E74-R99 VanDerWaalsContact OE1-NE 3.11Å; E74-R99 IonicContact OE1-NH2 2.71Å; E74-R99 IonicContact OE2-CZ 3.9Å; E74-R99 IonicContact OE2-NE 3.73Å; E74-R99 PolarHBondContact OE2-NE 3.44Å; E74-R99 VanDerWaalsContact OE2-NE 3.12Å; E74-R99 IonicContact OE2-NH2 3.9Å; E74-R99 PolarHBondContact OE2-NH2 2.87Å; L96-R99 HydrophobicContact CB-CB 4.03Å; L96-R99 HydrophobicContact CB-CG 4.27Å; L96-R99 PolarHBondContact O-N 2.88Å; R99-E103 IonicContact NH1-OE1 3.96Å; R99-I104 HydrophobicContact CB-CD1 4.21Å; R99-I104 HydrophobicContact CB-CG1 4.29Å
100T97.6Very high97.3Very high11 Ų1151.9 Ų51.97%0.06729%0.285CS..  trans-92.5155.7175.8630000113I58 L65 N102 E103 I104I58-T100 WeakPolarHBondContact O-CG2 3.35Å; L65-T100 HydrophobicContact CD2-CG2 3.56Å; T100-N102 PolarHBondContact O-N 3.32Å; T100-E103 WeakPolarHBondContact CB-OE2 3.43Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.48Å; T100-E103 PolarHBondContact N-OE2 3.12Å; T100-E103 PolarHBondContact O-N 2.89Å; T100-E103 VanDerWaalsContact OG1-CG 3.26Å; T100-E103 WeakPolarHBondContact OG1-CG 3.43Å; T100-E103 PolarHBondContact OG1-N 3.48Å; T100-E103 PolarHBondContact OG1-OE2 3.04Å; T100-I104 WeakPolarHBondContact O-CD1 3.46Å; T100-I104 VanDerWaalsContact O-CG1 3.26Å; T100-I104 WeakPolarHBondContact O-CG1 3.37Å; T100-I104 PolarHBondContact O-N 3.26Å
101D97.7Very high97.1Very high63 Ų6348.7 Ų48.734%0.33726%0.263SS..Hα-helixtrans-56.5-33.4169.970.5-56.2000111.8W89 A93 K105W89-D101 HydrophobicContact CB-CB 3.85Å; A93-D101 HydrophobicContact CB-CB 4.24Å; D101-K105 WeakPolarHBondContact O-CB 3.43Å; D101-K105 PolarHBondContact O-N 3.17Å
102N97.5Very high97.1Very high39 Ų3944.5 Ų44.521%0.20924%0.243CC..Hα-helixtrans-68.3-46176.7-172.464.5000112.8N59 T100 K105 N106N59-N102 WeakPolarHBondContact OD1-CB 3.48Å; T100-N102 PolarHBondContact O-N 3.32Å; N102-K105 PolarHBondContact OD1-NZ 3.04Å; N102-N106 WeakPolarHBondContact O-CB 3.35Å; N102-N106 PolarHBondContact O-N 3.13Å; N102-N106 PolarHBondContact O-ND2 2.95Å; N102-N106 PolarHBondContact O-OD1 2.78Å
103E97.7Very high96.8Very high47 Ų4747.6 Ų47.622%0.2226%0.257CS..Hα-helixtrans-64.9-45.1175.6-70.1161.4100.500112F70 R99 T100 K105 N106 L107F70-E103 HydrophobicContact CE2-CB 4.12Å; F70-E103 HydrophobicContact CZ-CB 3.8Å; R99-E103 IonicContact NH1-OE1 3.96Å; T100-E103 WeakPolarHBondContact CB-OE2 3.43Å; T100-E103 WeakPolarHBondContact CG2-OE2 3.48Å; T100-E103 PolarHBondContact N-OE2 3.12Å; T100-E103 PolarHBondContact O-N 2.89Å; T100-E103 VanDerWaalsContact OG1-CG 3.26Å; T100-E103 WeakPolarHBondContact OG1-CG 3.43Å; T100-E103 PolarHBondContact OG1-N 3.48Å; T100-E103 PolarHBondContact OG1-OE2 3.04Å; E103-K105 PolarHBondContact O-N 3.18Å; E103-N106 WeakPolarHBondContact O-CB 3.49Å; E103-N106 PolarHBondContact O-N 3.07Å; E103-L107 WeakPolarHBondContact O-CB 3.41Å; E103-L107 PolarHBondContact O-N 2.65Å
104I98.2Very high96.7Very high0 Ų052.8 Ų52.80%028%0.275CS..Hα-helixtrans-59.8-47.6179.6-66.7160.9000110.3F70 I78 W89 I92 A93 L96 R99 T100 N106 L107 W108F70-I104 HydrophobicContact CE1-CG1 4.27Å; F70-I104 HydrophobicContact CZ-CG1 4.38Å; I78-I104 HydrophobicContact CD1-CB 4.44Å; I78-I104 HydrophobicContact CD1-CG1 4.07Å; I78-I104 HydrophobicContact CD1-CG2 3.99Å; I78-I104 HydrophobicContact CG1-CG2 3.98Å; I78-I104 HydrophobicContact CG2-CG2 3.95Å; W89-I104 HydrophobicContact CE3-CG2 3.74Å; W89-I104 HydrophobicContact CZ3-CG2 4.07Å; I92-I104 HydrophobicContact CG2-CD1 4.44Å; I92-I104 HydrophobicContact CG2-CG2 4Å; A93-I104 HydrophobicContact CB-CD1 3.81Å; L96-I104 HydrophobicContact CB-CD1 4.29Å; L96-I104 HydrophobicContact CD1-CD1 3.55Å; L96-I104 HydrophobicContact CD1-CG1 4.05Å; R99-I104 HydrophobicContact CB-CD1 4.21Å; R99-I104 HydrophobicContact CB-CG1 4.29Å; T100-I104 WeakPolarHBondContact O-CD1 3.46Å; T100-I104 VanDerWaalsContact O-CG1 3.26Å; T100-I104 WeakPolarHBondContact O-CG1 3.37Å; T100-I104 PolarHBondContact O-N 3.26Å; I104-N106 VanDerWaalsContact C-N 3.29Å; I104-N106 PolarHBondContact O-N 3.38Å; I104-L107 PolarHBondContact O-N 2.54Å; I104-W108 WeakPolarHBondContact O-CB 3.05Å; I104-W108 PolarHBondContact O-N 3.18Å
105K97.5Very high96.5Very high60 Ų6050.5 Ų50.526%0.26126%0.256SS..Hα-helixtrans-57.9-39.1172.8174.3-166.171.9-152.90112.2W89 D101 N102 E103 N109W89-K105 HydrophobicContact CD2-CB 3.87Å; W89-K105 HydrophobicContact CD2-CG 4.44Å; W89-K105 HydrophobicContact CE3-CB 4.48Å; W89-K105 HydrophobicContact CG-CB 3.87Å; W89-K105 HydrophobicContact CG-CG 4.41Å; D101-K105 WeakPolarHBondContact O-CB 3.43Å; D101-K105 PolarHBondContact O-N 3.17Å; N102-K105 PolarHBondContact OD1-NZ 3.04Å; E103-K105 PolarHBondContact O-N 3.18Å; K105-N109 WeakPolarHBondContact O-CB 3.46Å; K105-N109 PolarHBondContact O-N 3.23Å; K105-N109 PolarHBondContact O-ND2 3.36Å
106N97.4Very high96.4Very high76 Ų7643 Ų4341%0.40623%0.229SC..Hα-helixtrans-71.4-43.9179.7-68.8-8.3000111.5N102 E103 I104 W108 N109 S110N102-N106 WeakPolarHBondContact O-CB 3.35Å; N102-N106 PolarHBondContact O-N 3.13Å; N102-N106 PolarHBondContact O-ND2 2.95Å; N102-N106 PolarHBondContact O-OD1 2.78Å; E103-N106 WeakPolarHBondContact O-CB 3.49Å; E103-N106 PolarHBondContact O-N 3.07Å; I104-N106 VanDerWaalsContact C-N 3.29Å; I104-N106 PolarHBondContact O-N 3.38Å; N106-W108 PolarHBondContact O-N 3.08Å; N106-N109 PolarHBondContact O-N 3.41Å; N106-S110 VanDerWaalsContact O-CB 3.29Å; N106-S110 WeakPolarHBondContact O-CB 3.39Å; N106-S110 PolarHBondContact O-N 2.76Å; N106-S110 PolarHBondContact O-OG 3.43Å
107L97.2Very high96.1Very high25 Ų2550.2 Ų50.213%0.13126%0.256CS..Hα-helixtrans-58.5-46.6173.9-178.571.8000111.3F70 E75 I78 E103 I104 N109 S110 C111 I112F70-L107 HydrophobicContact CB-CD1 4.38Å; F70-L107 HydrophobicContact CB-CD2 3.95Å; F70-L107 HydrophobicContact CD1-CD2 3.55Å; F70-L107 HydrophobicContact CD2-CB 4.3Å; F70-L107 HydrophobicContact CD2-CD1 3.85Å; F70-L107 HydrophobicContact CD2-CD2 3.64Å; F70-L107 HydrophobicContact CD2-CG 4.14Å; F70-L107 HydrophobicContact CE1-CD2 3.85Å; F70-L107 HydrophobicContact CE2-CB 4.03Å; F70-L107 HydrophobicContact CE2-CD1 4.42Å; F70-L107 HydrophobicContact CE2-CD2 3.94Å; F70-L107 HydrophobicContact CE2-CG 4.36Å; F70-L107 HydrophobicContact CG-CD1 4.22Å; F70-L107 HydrophobicContact CG-CD2 3.42Å; F70-L107 VanDerWaalsContact CG-CD2 3.42Å; F70-L107 HydrophobicContact CG-CG 4.36Å; F70-L107 HydrophobicContact CZ-CB 4.36Å; F70-L107 HydrophobicContact CZ-CD2 4.03Å; E75-L107 HydrophobicContact CG-CD1 4.5Å; E75-L107 HydrophobicContact CG-CD2 3.92Å; I78-L107 HydrophobicContact CD1-CD2 3.62Å; E103-L107 WeakPolarHBondContact O-CB 3.41Å; E103-L107 PolarHBondContact O-N 2.65Å; I104-L107 PolarHBondContact O-N 2.54Å; L107-N109 PolarHBondContact O-N 2.66Å; L107-S110 PolarHBondContact O-N 3.28Å; L107-C111 HydrophobicContact CD1-CB 4.09Å; L107-C111 WeakPolarHBondContact O-CA 3.4Å; L107-C111 VanDerWaalsContact O-CB 3.3Å; L107-C111 WeakPolarHBondContact O-CB 3.23Å; L107-C111 PolarHBondContact O-N 3.21Å; L107-I112 HydrophobicContact CD2-CD1 4Å; L107-I112 HydrophobicContact CG-CD1 4.04Å; L107-I112 HydrophobicContact CG-CG1 4.25Å; L107-I112 PolarHBondContact O-N 3.45Å
108W97.9Very high95.9Very high4 Ų453 Ų532%0.01526%0.26CS..Iπ-helixtrans-55.7-51.8174.9179.9-102.5000111.6I78 H82 W89 I104 N106 I112 K113 L116 P123 H126I78-W108 HydrophobicContact CG2-CE3 4.35Å; H82-W108 HydrophobicContact CB-CE3 4.4Å; H82-W108 HydrophobicContact CB-CH2 4.14Å; H82-W108 HydrophobicContact CB-CZ3 3.93Å; H82-W108 AromaticContact CE1-CE2 3.83Å; H82-W108 AromaticContact CE1-CH2 3.78Å; H82-W108 AromaticContact CE1-CZ2 3.29Å; H82-W108 WeakPolarHBondContact CE1-CZ2 3.14Å; H82-W108 AromaticContact CG-CH2 3.65Å; H82-W108 AromaticContact CG-CZ2 3.82Å; H82-W108 AromaticContact CG-CZ3 3.86Å; H82-W108 AromaticContact ND1-CE2 3.98Å; H82-W108 AromaticContact ND1-CH2 3.2Å; H82-W108 WeakPolarHBondContact ND1-CH2 3.3Å; H82-W108 AromaticContact ND1-CZ2 3.24Å; H82-W108 WeakPolarHBondContact ND1-CZ2 3.5Å; H82-W108 AromaticContact ND1-CZ3 3.9Å; H82-W108 AromaticContact NE2-CE2 3.94Å; H82-W108 AromaticContact NE2-CZ2 3.86Å; W89-W108 HydrophobicContact CH2-CB 3.71Å; W89-W108 AromaticContact CH2-CD1 3.39Å; W89-W108 AromaticContact CH2-CD2 3.85Å; W89-W108 HydrophobicContact CH2-CD2 3.85Å; W89-W108 AromaticContact CH2-CG 3.36Å; W89-W108 HydrophobicContact CH2-CG 3.36Å; W89-W108 AromaticContact CH2-NE1 3.87Å; W89-W108 HydrophobicContact CZ2-CB 4.44Å; W89-W108 AromaticContact CZ2-CD1 3.72Å; W89-W108 HydrophobicContact CZ2-CG 4.1Å; W89-W108 HydrophobicContact CZ3-CB 4.05Å; W89-W108 HydrophobicContact CZ3-CG 4.1Å; I104-W108 WeakPolarHBondContact O-CB 3.05Å; I104-W108 PolarHBondContact O-N 3.18Å; N106-W108 PolarHBondContact O-N 3.08Å; W108-I112 HydrophobicContact CD2-CB 4.44Å; W108-I112 HydrophobicContact CE3-CB 3.78Å; W108-I112 HydrophobicContact CE3-CD1 4.05Å; W108-I112 HydrophobicContact CE3-CG2 3.58Å; W108-I112 HydrophobicContact CH2-CG2 4.32Å; W108-I112 HydrophobicContact CZ3-CB 4.17Å; W108-I112 HydrophobicContact CZ3-CG2 3.44Å; W108-I112 VanDerWaalsContact CZ3-CG2 3.44Å; W108-I112 PolarHBondContact O-N 3.06Å; W108-K113 HydrophobicContact CD2-CG 4.35Å; W108-K113 HydrophobicContact CG-CG 4.43Å; W108-K113 HydrophobicContact CZ2-CG 4.18Å; W108-K113 WeakPolarHBondContact O-CG 3.07Å; W108-K113 PolarHBondContact O-N 2.97Å; W108-K113 VanDerWaalsContact O-N 3.12Å; W108-L116 HydrophobicContact CH2-CD1 3.77Å; W108-L116 HydrophobicContact CZ3-CD1 4.1Å; W108-P123 HydrophobicContact CH2-CB 4.14Å; W108-P123 WeakPolarHBondContact CH2-O 3.01Å; W108-P123 HydrophobicContact CZ2-CB 3.84Å; W108-P123 WeakPolarHBondContact CZ2-O 3.28Å; W108-H126 AromaticContact CH2-CE1 3.81Å
109N96.7Very high95.7Very high71 Ų7159.4 Ų59.438%0.3828%0.283SS..Iπ-helixtrans-69-35.8-175.6-81.4-68.6000114K105 N106 L107 K113K105-N109 WeakPolarHBondContact O-CB 3.46Å; K105-N109 PolarHBondContact O-N 3.23Å; K105-N109 PolarHBondContact O-ND2 3.36Å; N106-N109 PolarHBondContact O-N 3.41Å; L107-N109 PolarHBondContact O-N 2.66Å; N109-K113 WeakPolarHBondContact O-CE 3.45Å; N109-K113 PolarHBondContact OD1-NZ 3.48Å
110S95.3Very high95.2Very high78 Ų7859.9 Ų59.955%0.54529%0.294SS..Iπ-helixtrans-90.3-35-174.6-63.60000114.2N106 L107 K114N106-S110 VanDerWaalsContact O-CB 3.29Å; N106-S110 WeakPolarHBondContact O-CB 3.39Å; N106-S110 PolarHBondContact O-N 2.76Å; N106-S110 PolarHBondContact O-OG 3.43Å; L107-S110 PolarHBondContact O-N 3.28Å; S110-K114 WeakPolarHBondContact O-CD 3.39Å; S110-K114 VanDerWaalsContact O-CE 3.26Å; S110-K114 WeakPolarHBondContact O-CE 3.45Å; S110-K114 PolarHBondContact O-NZ 3Å
111C95.3Very high94.8Very high17 Ų1761.5 Ų61.512%0.11530%0.302CS..Iπ-helixtrans-117.1-66.2-170.7-175.70000112.2L107 K113 K114 K115L107-C111 HydrophobicContact CD1-CB 4.09Å; L107-C111 WeakPolarHBondContact O-CA 3.4Å; L107-C111 VanDerWaalsContact O-CB 3.3Å; L107-C111 WeakPolarHBondContact O-CB 3.23Å; L107-C111 PolarHBondContact O-N 3.21Å; C111-K113 PolarHBondContact O-N 2.84Å; C111-K114 WeakPolarHBondContact O-CA 2.95Å; C111-K114 WeakPolarHBondContact O-CB 3.46Å; C111-K114 PolarHBondContact O-N 3.47Å; C111-K115 PolarHBondContact O-N 2.86Å; C111-K115 VanDerWaalsContact O-N 3.08Å; C111-K115 WeakPolarHBondContact SG-CE 3.3Å
112I96Very high94.3Very high2 Ų259.9 Ų59.91%0.0129%0.293CS..Iπ-helixtrans-63.2-41.9-163.9-57.1173.5000112.2I78 V79 L107 W108 K114 K115 L116I78-I112 HydrophobicContact CB-CD1 4.13Å; I78-I112 HydrophobicContact CG2-CD1 3.61Å; V79-I112 HydrophobicContact CG2-CG2 3.58Å; L107-I112 HydrophobicContact CD2-CD1 4Å; L107-I112 HydrophobicContact CG-CD1 4.04Å; L107-I112 HydrophobicContact CG-CG1 4.25Å; L107-I112 PolarHBondContact O-N 3.45Å; W108-I112 HydrophobicContact CD2-CB 4.44Å; W108-I112 HydrophobicContact CE3-CB 3.78Å; W108-I112 HydrophobicContact CE3-CD1 4.05Å; W108-I112 HydrophobicContact CE3-CG2 3.58Å; W108-I112 HydrophobicContact CH2-CG2 4.32Å; W108-I112 HydrophobicContact CZ3-CB 4.17Å; W108-I112 HydrophobicContact CZ3-CG2 3.44Å; W108-I112 VanDerWaalsContact CZ3-CG2 3.44Å; W108-I112 PolarHBondContact O-N 3.06Å; I112-K114 PolarHBondContact O-N 3.13Å; I112-K114 VanDerWaalsContact O-N 3.1Å; I112-K115 PolarHBondContact O-N 3.01Å; I112-K115 VanDerWaalsContact O-N 3.17Å; I112-L116 HydrophobicContact CG2-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CG 4.08Å; I112-L116 PolarHBondContact O-N 3.01Å
113K94Very high93.7Very high66 Ų6658.1 Ų58.129%0.28728%0.284SS..Hα-helixtrans-57.2-26.8174.9-70.5-172.9-37.1-166.10113.7W108 N109 C111 R117 P123W108-K113 HydrophobicContact CD2-CG 4.35Å; W108-K113 HydrophobicContact CG-CG 4.43Å; W108-K113 HydrophobicContact CZ2-CG 4.18Å; W108-K113 WeakPolarHBondContact O-CG 3.07Å; W108-K113 PolarHBondContact O-N 2.97Å; W108-K113 VanDerWaalsContact O-N 3.12Å; N109-K113 WeakPolarHBondContact O-CE 3.45Å; N109-K113 PolarHBondContact OD1-NZ 3.48Å; C111-K113 PolarHBondContact O-N 2.84Å; K113-R117 WeakPolarHBondContact O-CD 3.46Å; K113-R117 VanDerWaalsContact O-CG 3.25Å; K113-R117 WeakPolarHBondContact O-CG 3.28Å; K113-P123 HydrophobicContact CB-CB 4.35Å; K113-P123 HydrophobicContact CB-CG 4.36Å; K113-P123 HydrophobicContact CG-CB 4.04Å; K113-P123 HydrophobicContact CG-CG 4.3Å
114K94.5Very high93.1Very high130 Ų13061.2 Ų61.257%0.56530%0.302SS*.Hα-helixtrans-82.7-48.1175.7-59.7175.5-174.5156.80110.6S110 C111 I112 L116 R117 Q118S110-K114 WeakPolarHBondContact O-CD 3.39Å; S110-K114 VanDerWaalsContact O-CE 3.26Å; S110-K114 WeakPolarHBondContact O-CE 3.45Å; S110-K114 PolarHBondContact O-NZ 3Å; C111-K114 WeakPolarHBondContact O-CA 2.95Å; C111-K114 WeakPolarHBondContact O-CB 3.46Å; C111-K114 PolarHBondContact O-N 3.47Å; I112-K114 PolarHBondContact O-N 3.13Å; I112-K114 VanDerWaalsContact O-N 3.1Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.27Å; K114-R117 PolarHBondContact O-N 3.11Å; K114-Q118 WeakPolarHBondContact O-CG 3.35Å; K114-Q118 PolarHBondContact O-N 3.33Å
115K93.4Very high92.5Very high56 Ų5665.1 Ų65.124%0.24333%0.326CS..Hα-helixtrans-53.2-45.3175.7-74.7-174.7172.3177.70111.9E75 C111 I112 Q118 K119E75-K115 IonicContact OE1-NZ 2.8Å; E75-K115 PolarHBondContact OE1-NZ 3.25Å; E75-K115 WeakPolarHBondContact OE2-CD 3.36Å; E75-K115 IonicContact OE2-NZ 2.69Å; E75-K115 PolarHBondContact OE2-NZ 3.41Å; C111-K115 PolarHBondContact O-N 2.86Å; C111-K115 VanDerWaalsContact O-N 3.08Å; C111-K115 WeakPolarHBondContact SG-CE 3.3Å; I112-K115 PolarHBondContact O-N 3.01Å; I112-K115 VanDerWaalsContact O-N 3.17Å; K115-Q118 PolarHBondContact O-N 3.27Å; K115-K119 WeakPolarHBondContact O-CG 3.38Å; K115-K119 PolarHBondContact O-N 3.36Å
116L93.4Very high91.9Very high13 Ų1364.3 Ų64.37%0.06832%0.323CS..Hα-helixtrans-65.3-46.1178.3-69.1176.4000112.1V79 W108 I112 K114 Q118 K119 G120 I121 P123V79-L116 HydrophobicContact CG1-CD2 4.41Å; W108-L116 HydrophobicContact CH2-CD1 3.77Å; W108-L116 HydrophobicContact CZ3-CD1 4.1Å; I112-L116 HydrophobicContact CG2-CD1 3.87Å; I112-L116 HydrophobicContact CG2-CG 4.08Å; I112-L116 PolarHBondContact O-N 3.01Å; K114-L116 VanDerWaalsContact C-N 3.31Å; K114-L116 PolarHBondContact O-N 3.27Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-Q118 PolarHBondContact O-N 3.4Å; L116-K119 CarbonylContact O-C 3.58Å; L116-K119 WeakPolarHBondContact O-CA 3.19Å; L116-K119 PolarHBondContact O-N 2.85Å; L116-K119 VanDerWaalsContact O-N 3.09Å; L116-G120 PolarHBondContact O-N 3.35Å; L116-I121 CarbonylContact C-O 3.47Å; L116-I121 HydrophobicContact CB-CB 4.32Å; L116-I121 HydrophobicContact CD2-CB 4.37Å; L116-I121 HydrophobicContact CD2-CD1 4.27Å; L116-I121 HydrophobicContact CD2-CG2 4.29Å; L116-I121 PolarHBondContact O-N 2.95Å; L116-I121 VanDerWaalsContact O-O 3.12Å; L116-P123 HydrophobicContact CB-CB 4.34Å; L116-P123 HydrophobicContact CD1-CB 3.93Å
117R91.5Very high91.2Very high155 Ų15566.9 Ų66.959%0.58533%0.33SS*.Hα-helixtrans-61.3-39.2176.8-74174.3176.9-103-11.5112.7K113 K114 K119 G120 I121 P123K113-R117 WeakPolarHBondContact O-CD 3.46Å; K113-R117 VanDerWaalsContact O-CG 3.25Å; K113-R117 WeakPolarHBondContact O-CG 3.28Å; K114-R117 PolarHBondContact O-N 3.11Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-G120 PolarHBondContact O-N 2.92Å; R117-G120 VanDerWaalsContact O-N 3.09Å; R117-I121 PolarHBondContact N-O 3.32Å; R117-P123 HydrophobicContact CG-CG 4.36Å
118Q91.6Very high90.4Very high160 Ų16069.3 Ų69.375%0.74835%0.348SS*.Hα-helixtrans-65.4-34.4174.2-72.5168.1-33.400112.5K114 K115 L116 G120K114-Q118 WeakPolarHBondContact O-CG 3.35Å; K114-Q118 PolarHBondContact O-N 3.33Å; K115-Q118 PolarHBondContact O-N 3.27Å; L116-Q118 VanDerWaalsContact C-N 3.33Å; L116-Q118 PolarHBondContact O-N 3.4Å; Q118-G120 PolarHBondContact O-N 3.02Å
119K91.2Very high89.1Confident154 Ų15472.6 Ų72.667%0.6737%0.365SS*.THydrogen-bonded Turntrans-77.14.4171.5-70.4-179.1177.2-175.20113.8K115 L116 R117 I121K115-K119 WeakPolarHBondContact O-CG 3.38Å; K115-K119 PolarHBondContact O-N 3.36Å; L116-K119 CarbonylContact O-C 3.58Å; L116-K119 WeakPolarHBondContact O-CA 3.19Å; L116-K119 PolarHBondContact O-N 2.85Å; L116-K119 VanDerWaalsContact O-N 3.09Å; R117-K119 VanDerWaalsContact C-N 3.33Å; K119-I121 HydrophobicContact CB-CD1 4.23Å; K119-I121 HydrophobicContact CB-CG1 4.4Å
120G88.1Confident87.6Confident31 Ų3172.3 Ų72.332%0.3237%0.373SS..THydrogen-bonded Turntrans70.927.9-177.900000114L116 R117 Q118 P128 L129L116-G120 PolarHBondContact O-N 3.35Å; R117-G120 PolarHBondContact O-N 2.92Å; R117-G120 VanDerWaalsContact O-N 3.09Å; Q118-G120 PolarHBondContact O-N 3.02Å; G120-P128 CarbonylContact O-C 3.21Å; G120-P128 WeakPolarHBondContact O-CA 3.24Å; G120-L129 WeakPolarHBondContact O-CB 3.3Å; G120-L129 PolarHBondContact O-N 2.87Å
121I89.2Confident85.9Confident45 Ų4575 Ų7523%0.23138%0.377CS..BIsolated β-bridgetrans-115.1133.9-180-58.2171.5000109.3L116 R117 K119 P123 K127L116-I121 CarbonylContact C-O 3.47Å; L116-I121 HydrophobicContact CB-CB 4.32Å; L116-I121 HydrophobicContact CD2-CB 4.37Å; L116-I121 HydrophobicContact CD2-CD1 4.27Å; L116-I121 HydrophobicContact CD2-CG2 4.29Å; L116-I121 PolarHBondContact O-N 2.95Å; L116-I121 VanDerWaalsContact O-O 3.12Å; R117-I121 PolarHBondContact N-O 3.32Å; K119-I121 HydrophobicContact CB-CD1 4.23Å; K119-I121 HydrophobicContact CB-CG1 4.4Å; I121-P123 WeakPolarHBondContact O-CD 3.2Å; I121-K127 WeakPolarHBondContact CA-O 3.33Å
122D87Confident84.1Confident29 Ų2978.7 Ų78.716%0.15540%0.399CS..  trans-73121.6170.4165.943.7000110.3N124 T125 H126 K127 L129D122-N124 PolarHBondContact O-N 2.83Å; D122-N124 PolarHBondContact OD1-N 3.4Å; D122-N124 PolarHBondContact OD2-N 3.2Å; D122-T125 WeakPolarHBondContact OD2-CB 3.18Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.18Å; D122-T125 PolarHBondContact OD2-N 2.75Å; D122-T125 PolarHBondContact OD2-OG1 3.3Å; D122-H126 WeakPolarHBondContact O-CA 3.32Å; D122-H126 PolarHBondContact O-N 2.84Å; D122-K127 PolarHBondContact N-O 2.85Å; D122-L129 HydrophobicContact CB-CD2 4.05Å; D122-L129 HydrophobicContact CB-CG 4.37Å
123P85.3Confident82.2Confident1 Ų185 Ų851%0.00643%0.433CS..THydrogen-bonded Turntrans-65.6-16.4-179.426.3-36.2000115W108 K113 L116 R117 I121W108-P123 HydrophobicContact CH2-CB 4.14Å; W108-P123 WeakPolarHBondContact CH2-O 3.01Å; W108-P123 HydrophobicContact CZ2-CB 3.84Å; W108-P123 WeakPolarHBondContact CZ2-O 3.28Å; K113-P123 HydrophobicContact CB-CB 4.35Å; K113-P123 HydrophobicContact CB-CG 4.36Å; K113-P123 HydrophobicContact CG-CB 4.04Å; K113-P123 HydrophobicContact CG-CG 4.3Å; L116-P123 HydrophobicContact CB-CB 4.34Å; L116-P123 HydrophobicContact CD1-CB 3.93Å; R117-P123 HydrophobicContact CG-CG 4.36Å; I121-P123 WeakPolarHBondContact O-CD 3.2Å
124N84.7Confident80.4Confident112 Ų11291.2 Ų91.260%0.59945%0.454SS*.THydrogen-bonded Turntrans-85.7-44.7179.9-67.6-23.5000112.4D122D122-N124 PolarHBondContact O-N 2.83Å; D122-N124 PolarHBondContact OD1-N 3.4Å; D122-N124 PolarHBondContact OD2-N 3.2Å
125T85.4Confident78.5Confident82 Ų8289.7 Ų89.750%0.50346%0.46SS..THydrogen-bonded Turntrans-96.8-13.5-178.859.20000114D122 K127D122-T125 WeakPolarHBondContact OD2-CB 3.18Å; D122-T125 WeakPolarHBondContact OD2-CG2 3.18Å; D122-T125 PolarHBondContact OD2-N 2.75Å; D122-T125 PolarHBondContact OD2-OG1 3.3Å; T125-K127 PolarHBondContact O-N 2.78Å; T125-K127 PolarHBondContact OG1-N 3.34Å
126H84Confident76.7Confident43 Ų4396.4 Ų96.420%0.19949%0.489CS..  trans54.621.7-169.6-60.6-98.4000114.6V79 H82 A83 W108 D122V79-H126 PolarHBondContact O-CE1 3.07Å; V79-H126 VanDerWaalsContact O-CE1 3.23Å; H82-H126 AromaticContact CG-NE2 3.93Å; H82-H126 AromaticContact ND1-CE1 3.95Å; H82-H126 AromaticContact ND1-NE2 3.23Å; H82-H126 PolarHBondContact ND1-NE2 3.11Å; A83-H126 VanDerWaalsContact CA-CD2 3.41Å; A83-H126 WeakPolarHBondContact CA-CD2 3.32Å; A83-H126 VanDerWaalsContact CA-NE2 3.31Å; A83-H126 WeakPolarHBondContact CA-NE2 3.34Å; A83-H126 HydrophobicContact CB-CB 4.43Å; A83-H126 VanDerWaalsContact CB-CD2 3.49Å; A83-H126 WeakPolarHBondContact CB-CD2 3.18Å; A83-H126 PolarHBondContact N-NE2 3.46Å; A83-H126 VanDerWaalsContact N-NE2 3.18Å; W108-H126 AromaticContact CH2-CE1 3.81Å; D122-H126 WeakPolarHBondContact O-CA 3.32Å; D122-H126 PolarHBondContact O-N 2.84Å
127K83Confident74.6Confident130 Ų13099.3 Ų99.357%0.56552%0.515SS*.  trans-92.3152176.4-65.8-171.7177-169.10112.2I121 D122 T125 L129I121-K127 WeakPolarHBondContact CA-O 3.33Å; D122-K127 PolarHBondContact N-O 2.85Å; T125-K127 PolarHBondContact O-N 2.78Å; T125-K127 PolarHBondContact OG1-N 3.34Å; K127-L129 PolarHBondContact O-N 2.89Å
128P81.5Confident72.7Confident76 Ų7697.6 Ų97.649%0.49452%0.522SS..BIsolated β-bridgetrans-61.8127.8170-20.933.5000111.9G120 A130G120-P128 CarbonylContact O-C 3.21Å; G120-P128 WeakPolarHBondContact O-CA 3.24Å; P128-A130 PolarHBondContact O-N 3.32Å
129L69.2Low70.8Confident73 Ų7395 Ų9538%0.38252%0.518SS..G310 helixtrans-63.2-28.9176.8-74.2160.9000112.3G120 D122 K127 E131 V132G120-L129 WeakPolarHBondContact O-CB 3.3Å; G120-L129 PolarHBondContact O-N 2.87Å; D122-L129 HydrophobicContact CB-CD2 4.05Å; D122-L129 HydrophobicContact CB-CG 4.37Å; K127-L129 PolarHBondContact O-N 2.89Å; L129-E131 PolarHBondContact O-N 3.11Å; L129-V132 PolarHBondContact O-N 2.98Å
130A66.4Low68.6Low65 Ų6594 Ų9454%0.53753%0.526SS..G310 helixtrans-66.4-2.5-177.200000115.8P128 R134P128-A130 PolarHBondContact O-N 3.32Å; A130-R134 PolarHBondContact O-NE 2.9Å
131E59.6Low67.1Low135 Ų13599.2 Ų99.263%0.63155%0.545SS*.G310 helixtrans-97.9-23.5174.5-165.1164.1-122.300112.2L129L129-E131 PolarHBondContact O-N 3.11Å
132V57.1Low65.3Low95 Ų95102.2 Ų102.258%0.57657%0.569SS**THydrogen-bonded Turntrans-73.9-43.1-175.8-176.30000111.6L129 R134 S135L129-V132 PolarHBondContact O-N 2.98Å; V132-R134 VanDerWaalsContact C-N 3.33Å; V132-R134 PolarHBondContact O-N 3.35Å; V132-S135 PolarHBondContact O-OG 2.68Å
133D56.3Low63.6Low135 Ų135107.8 Ų107.872%0.72260%0.599SS**G310 helixtrans-72.9-20.6-177-73.1-46.1000114.2
134R56Low61.9Low196 Ų196115.3 Ų115.374%0.7464%0.639SS**G310 helixtrans-79.2-23.4-179.7-64.1-167.6-139.3-149.23.8114A130 V132 K136A130-R134 PolarHBondContact O-NE 2.9Å; V132-R134 VanDerWaalsContact C-N 3.33Å; V132-R134 PolarHBondContact O-N 3.35Å; R134-K136 PolarHBondContact O-N 2.97Å
135S54.2Low60.5Low97 Ų97120.4 Ų120.468%0.67865%0.65SS**G310 helixtrans-80-0.3-179.352.20000113.9V132V132-S135 PolarHBondContact O-OG 2.68Å
136K56.2Low58.3Low198 Ų198123.3 Ų123.386%0.86167%0.668SS**G310 helixtrans-112.36.5178.5-150176.6-178.1-1790114.2R134R134-K136 PolarHBondContact O-N 2.97Å
137A50.2Low56.7Low74 Ų74126.2 Ų126.261%0.61269%0.693SS**  trans-119.446-172.500000113P139A137-P139 WeakPolarHBondContact O-CD 3.46Å
138T50.9Low54.9Low119 Ų119129 Ų12973%0.7371%0.708SS**  trans-88.6112.2174.7-37.40000109.9T140T138-T140 PolarHBondContact O-N 2.97Å
139P52.2Low53.4Low104 Ų104130.9 Ų130.968%0.67572%0.724SS**  trans-73.6122.617229.8-32.6000109.8A137 I141A137-P139 WeakPolarHBondContact O-CD 3.46Å; P139-I141 PolarHBondContact O-N 3.23Å
140T44.4Very low52.4Low135 Ų135131.4 Ų131.483%0.82873%0.733SS**  trans-68.299.3176.7-54.90000110.3T138 S142T138-T140 PolarHBondContact O-N 2.97Å; T140-S142 PolarHBondContact O-N 2.76Å
141I57.1Low51.6Low140 Ų140135.2 Ų135.272%0.71874%0.744SS**  trans-76.5102.8168.9-61.5179.2000108.1P139 N143P139-I141 PolarHBondContact O-N 3.23Å; I141-N143 PolarHBondContact O-N 2.78Å; I141-N143 VanDerWaalsContact O-N 3.14Å
142S51.7Low51.5Low107 Ų107135 Ų13575%0.74875%0.752SS**  trans-78.288176.953.90000111.2T140 D144T140-S142 PolarHBondContact O-N 2.76Å; S142-D144 PolarHBondContact O-N 3.44Å
143N49.6Very low51.4Low146 Ų146137.8 Ų137.878%0.78176%0.764SS**  trans-82.696.4163.1-78.84.8000109.1I141I141-N143 PolarHBondContact O-N 2.78Å; I141-N143 VanDerWaalsContact O-N 3.14Å
144D51.2Low50.8Low159 Ų159137.1 Ų137.185%0.8577%0.767SS**PPolyproline II helixtrans-76159.5168.6-150.2-15000111S142S142-D144 PolarHBondContact O-N 3.44Å
145R54Low50.3Low220 Ų220133.1 Ų133.183%0.8377%0.769SS**PPolyproline II helixtrans-99.3118.4-160.1-66.1177.7176.2174.8-1.9113.3
146T40.5Very low50.1Low142 Ų142134.3 Ų134.387%0.87178%0.777SS**PPolyproline II helixtrans-63.2138.7159.2-46.50000109.9
147S49.4Very low49.5Very low105 Ų105128.2 Ų128.273%0.73477%0.771SS**  trans-145.9158.9168.2-69.50000109.4
148E45.2Very low49.4Very low188 Ų188131.7 Ų131.788%0.87978%0.784SS**  trans-71.4170.6-155.2-68.6154.383.400117.6
149S49.3Very low49.1Very low116 Ų116131 Ų13181%0.81179%0.79SS**  trans84.6134158.8-141.30000118.1
150S48.7Very low48.7Very low84 Ų84134 Ų13459%0.58780%0.8SS**  cis-165.5169.1-21.249.10000111.5
151D50.3Low49Very low144 Ų144135.5 Ų135.577%0.7780%0.797SS**  trans78.5159.2151.5-54.1-48.9000123.1
152V57.9Low48.7Very low130 Ų130135.2 Ų135.279%0.78880%0.797SS**  trans70102.2167.9-63.20000123.2
153D53.2Low48.3Very low154 Ų154137.4 Ų137.482%0.82480%0.799SS**  trans67.3127.1133.6-69-46.3000124
154P44.1Very low47.8Very low121 Ų121134.9 Ų134.979%0.78679%0.793SS**  trans-108.5141.8170.838.2-29.7000114.4
155S45.8Very low47.3Very low112 Ų112135.9 Ų135.978%0.78379%0.792SS**  trans-160.7123.5160.3-169.80000115.8
156S49.4Very low46.7Very low123 Ų123131.8 Ų131.886%0.8679%0.787SS**  trans63.8151.8157.676.70000119.5
157G43.9Very low46.6Very low70 Ų70133 Ų13372%0.72279%0.786SS**  trans141.946.5165.200000119.9
158V48.3Very low46.4Very low147 Ų147132.6 Ų132.689%0.89178%0.784SS**  trans3.3123.2158.8-73.80000120.8
159A45.7Very low46.1Very low104 Ų104131.9 Ų131.986%0.8678%0.78SS**  -177.7144.1122.200000112.6
160L43.6Very low45.7Very low167 Ų167132.2 Ų132.287%0.87478%0.778SS**  trans-103.5145.7172-77162.8000110.8
161H49.6Very low45.3Very low166 Ų166132.2 Ų132.277%0.76978%0.783SS**  -170.7138.7122.648.4-84.4000114.2
162N50.9Low44.9Very low134 Ų134134.2 Ų134.272%0.71779%0.788SS**  trans56.6102.5145.3-60.1-7.5000119.3
163L43.1Very low43.9Very low153 Ų153132.9 Ų132.980%0.80178%0.784SS**  78.999.590.5-74.2166.8000112.1
164S39.7Very low43.5Very low94 Ų94130.7 Ų130.766%0.65778%0.781SS**  7284.872-170.60000113.8
165H41.6Very low43.3Very low179 Ų179132.9 Ų132.983%0.82978%0.781SS**  trans-144.666.7149.8-158.1-68.5000112.3
166L41.5Very low43Very low135 Ų135133.1 Ų133.171%0.70777%0.772SS**  trans34.8109.4137.5-69.5161.9000118.7
167L37.8Very low42.9Very low166 Ų166134 Ų13487%0.86977%0.767SS**  trans-70.8179.4132.8-68.3167.2000109.5
168S44.3Very low43.2Very low97 Ų97135.4 Ų135.468%0.67876%0.763SS**  trans73.5144.4-173.8-82.50000114.9
169E40.2Very low43.1Very low173 Ų173133.9 Ų133.981%0.80875%0.754SS**  cis-150.9-175.8-1.7-135.3156.9102.500114.5
170T39.6Very low43.2Very low123 Ų123137.5 Ų137.576%0.75575%0.75SS**  trans-79.4141.5-169.248.70000116.1
171A41Very low43.4Very low84 Ų84135.2 Ų135.269%0.69474%0.743SS**  trans33.8128.613800000121.7
172Q40.8Very low43.4Very low187 Ų187133.9 Ų133.987%0.87475%0.747SS**  -171.7140.2113.2-103166.566.200115.5
173S38.8Very low43.4Very low101 Ų101136.5 Ų136.571%0.70675%0.752SS**  trans38.4121.3139.5-57.80000124.8
174S44.3Very low44Very low109 Ų109134.2 Ų134.276%0.76275%0.746SS**  93145.8122.2-65.40000123.5
175E38.7Very low44.5Very low167 Ų167140.2 Ų140.278%0.7875%0.754SS**  trans71.6141.5156.9-54.9-110.9108.600118.4
176L41.1Very low44.9Very low116 Ų116135.8 Ų135.861%0.60774%0.74SS**  cis-161.9142.9-14.9-101.6179.7000112.2
177L47.1Very low45.2Very low142 Ų142138.1 Ų138.174%0.74375%0.747SS**  trans68.3172.7142.3-62.8176.9000121.1
178P48.9Very low45.5Very low99 Ų99134.7 Ų134.764%0.64374%0.742SS**  -147.9-177.7-54.744-27.7000118.1
179V47.6Very low45.8Very low115 Ų115136.3 Ų136.370%0.69775%0.751SS**  trans75.1150.6145.2150.80000117.9
180K47.7Very low46Very low181 Ų181131.5 Ų131.579%0.78775%0.748SS**  cis-122.7141.914.7-105.5110.4-164.8178.10111.2
181V47.4Very low46.2Very low119 Ų119134 Ų13472%0.72176%0.756SS**  71.9119.173.9179.50000113.3
182T48.4Very low46.4Very low137 Ų137134.7 Ų134.784%0.8476%0.761SS**  -153.4175.383.7-53.50000113.5
183K52.6Low46Very low190 Ų190136.7 Ų136.783%0.82676%0.76SS**  trans-149.7-168.4-157.2-120.2-178.3-179.2176.70110
184P55Low46.4Very low105 Ų105140.3 Ų140.368%0.68277%0.771SS**  cis-119.9-165.1-33.732.9-11.7000110.1
185R49.6Very low46Very low220 Ų220143.9 Ų143.983%0.8377%0.773SS**  173.5171.756.5-143.5-171.1158.5156.7-4.9106.6
186T50.3Low46.3Very low86 Ų86141.8 Ų141.853%0.52877%0.771SS.*  cis-155.6156.89.1-38.70000111.2
187Q48.7Very low46.4Very low184 Ų184141.2 Ų141.286%0.8678%0.775SS**  trans65.3179.7158.9-95154.8-90.200118.1
188A43Very low46.3Very low93 Ų93140.5 Ų140.577%0.76978%0.778SS**  trans-155.9-133.2-146.400000114.1
189P50.3Low46.5Very low132 Ų132145.2 Ų145.286%0.85779%0.789SS**  -138.5177.9-103.142.8-25.2000117.8
190G44.9Very low46.1Very low72 Ų72148 Ų14874%0.74279%0.794SS**  trans-172.5103.5164.400000115.9
191L44.6Very low46Very low176 Ų176146.1 Ų146.192%0.92179%0.792SS**  trans7.6149.7152.1-54.8176.5000121
192A44.8Very low45.6Very low97 Ų97149.5 Ų149.580%0.80280%0.797SS**  cis-167.8166.6-13.400000109.7
193R33.2Very low45.1Very low229 Ų229150.6 Ų150.686%0.86480%0.797SS**  trans-125.7129.4-177.9-177.9-171.1-171-173.57111.6
194L46.2Very low44.5Very low178 Ų178148.6 Ų148.693%0.93280%0.796SS**  trans-134.2164.8167.9-72.6176.5000111.3
195K36.4Very low43.6Very low183 Ų183152.1 Ų152.180%0.79680%0.803SS**  trans-155.1174.1-170.6-178.8172.8171.1174.70109.4
196V44.7Very low43Very low123 Ų123149.1 Ų149.175%0.74580%0.802SS**  trans83.7145.4165.9-162.50000112.9
197P42.1Very low42.3Very low105 Ų105151.1 Ų151.168%0.68282%0.815SS**  cis-126.5-173.8-48.441.4-24.8000111.6
198P46.1Very low41.8Very low126 Ų126148.2 Ų148.282%0.81882%0.815SS**  trans-76.3168.2172.432.1-37.1000113.5
199K53.4Low41.6Very low199 Ų199147.1 Ų147.187%0.86581%0.813SS**  trans-120.8129.4175.6-73.1-173.7176.9-177.40111.9
200E38.6Very low41.1Very low172 Ų172148.8 Ų148.880%0.80481%0.809SS**  trans-62168.1150.3-76.4-67.1146.600111.3
201L44.7Very low40.8Very low142 Ų142152.1 Ų152.174%0.74381%0.805SS**  trans147106.4133.1-74.4177.7000112.9
202F40.8Very low40.7Very low190 Ų190150.8 Ų150.883%0.83380%0.799SS**  trans60.8120146.7-70.2-92.6000122.2
203L37.4Very low40.3Very low161 Ų161153.2 Ų153.284%0.84380%0.797SS**  trans-62.8136.5147.7168.876.1000110.6
204D39.7Very low40.9Very low148 Ų148148.1 Ų148.179%0.79179%0.794SS**  trans-162168.7144.3-134.8-32.5000114.6
205Q36.9Very low40.5Very low179 Ų179144.3 Ų144.384%0.83678%0.782SS**  trans76.6108.8160.4-150.2138.6106.900119.9
206L35.6Very low40.5Very low156 Ų156142 Ų14282%0.81779%0.788SS**  trans-99.1174.8164.3-75163.8000111.2
207T35.6Very low40.1Very low128 Ų128147.9 Ų147.979%0.78580%0.796SS**  trans96.6140.1154.175.90000120.4
208S39.9Very low40.1Very low124 Ų124148 Ų14887%0.86780%0.8SS**  trans67.7142.9172.974.20000117.8
209G37.7Very low40.1Very low70 Ų70147 Ų14772%0.72280%0.796SS**  cis168.6147.9-10.200000114.9
210H40.2Very low39.5Very low167 Ų167141 Ų14177%0.77379%0.791SS**  trans67.1115155.7-105.2-126.3000122.9
211E38.5Very low39.6Very low141 Ų141139 Ų13966%0.65979%0.792SS**  trans67125.6140.6-35.7-166.2-95.800121.6
212N41.2Very low39.6Very low149 Ų149138.8 Ų138.880%0.79779%0.791SS**  -168.9166.262.1-95-79.1000112.7
213L37.7Very low39.7Very low147 Ų147135.3 Ų135.377%0.7779%0.787SS**  trans-125.2151.4173.4-149.785000110.5
214P45.9Very low39.8Very low122 Ų122134.1 Ų134.179%0.79278%0.782SS**  -142.713896.926.6-6.5000113.3
215S36.4Very low40Very low98 Ų98136.7 Ų136.769%0.68579%0.786SS**  69.7105.972.1-167.30000115.6
216C37.5Very low40.1Very low135 Ų135133.8 Ų133.891%0.91278%0.783SS**  trans-158.3161.8151.8-127.40000110.6
217R36.7Very low40Very low246 Ų246136.1 Ų136.193%0.92879%0.787SS**  trans-110.3151.1-164-61.1174.5169.8-167.8-2.9114.5
218S42.4Very low40.1Very low107 Ų107137.5 Ų137.575%0.74878%0.784SS**  -173.1148118.9-162.10000114.4
219S44.3Very low39.9Very low106 Ų106138.8 Ų138.874%0.74178%0.777SS**  trans25.8124.3151.156.30000122.1
220G41.4Very low39.6Very low74 Ų74142 Ų14276%0.76378%0.777SS**  trans-85.1-147.8167.800000114.4
221P40.3Very low39.1Very low128 Ų128140.2 Ų140.283%0.83177%0.772SS**  cis-138.313315.638.1-18.3000117.4
222I46.4Very low38.9Very low138 Ų138140.1 Ų140.171%0.70879%0.785SS**  trans-145.4128.9160.8-55.2179.7000109.9N224I222-N224 PolarHBondContact O-N 3.25Å; I222-N224 VanDerWaalsContact O-N 3.13Å
223P41Very low38.5Very low117 Ų117142.1 Ų142.176%0.7678%0.783SS**  trans-85.570.5176.635.5-35.2000112.5F225P223-F225 PolarHBondContact O-N 3.42Å
224N40Very low38.2Very low136 Ų136141.5 Ų141.573%0.72778%0.78SS**  trans-77.5112.4168.3-80.8-25.1000110.2I222 P226I222-N224 PolarHBondContact O-N 3.25Å; I222-N224 VanDerWaalsContact O-N 3.13Å; N224-P226 WeakPolarHBondContact O-CD 3.13Å
225F44.8Very low37.7Very low203 Ų203142.9 Ų142.989%0.8978%0.781SS**  trans-77.6121.1175.5-90.3-89.9000111.9P223P223-F225 PolarHBondContact O-N 3.42Å
226P39.4Very low37.6Very low118 Ų118142.6 Ų142.677%0.76677%0.772SS**  trans-81.9126.6169-4.523.7000110.4N224 Q228N224-P226 WeakPolarHBondContact O-CD 3.13Å; P226-Q228 PolarHBondContact O-N 3.04Å
227F33.3Very low37.5Very low205 Ų205146.7 Ų146.790%0.89978%0.775SS**  trans-90.198.6174.4176.3-92.4000110.6
228Q37.5Very low37.4Very low156 Ų156140.5 Ų140.573%0.72976%0.76SS**  trans-175.1147.2166.6-85.8-124.77900107P226P226-Q228 PolarHBondContact O-N 3.04Å
229Q34.8Very low36.8Very low151 Ų151140.1 Ų140.171%0.70676%0.757SS**  cis-159.8-175.4-3.4-157.6178.710.500108.7
230L31.5Very low36.4Very low138 Ų138143 Ų14372%0.72376%0.761SS**  trans83.7111.9159.6-62.4133.8000119.7
231L30.3Very low36Very low130 Ų130145.9 Ų145.968%0.68176%0.759SS**  trans49.498.7130.4-54.2179.6000119.8Y233L231-Y233 HydrophobicContact CD2-CD2 4.27Å; L231-Y233 HydrophobicContact CD2-CE2 4.14Å
232C33.4Very low35.9Very low138 Ų138145.9 Ų145.993%0.93276%0.757SS**  trans-113.7125.3132.3-82.80000108.5
233Y34Very low35.1Very low191 Ų191142.4 Ų142.475%0.74975%0.754SS**  trans-79.2169.6-173.4-117.6-108.4000113.1L231L231-Y233 HydrophobicContact CD2-CD2 4.27Å; L231-Y233 HydrophobicContact CD2-CE2 4.14Å
234N30.6Very low34.8Very low134 Ų134144 Ų14472%0.71776%0.757SS**  trans-33.7142.4172.9-54.7-31.6000115.7
235N35.1Very low34.4Very low151 Ų151148.8 Ų148.881%0.80776%0.764SS**  trans-142.6133.1138.8-90.4-51.7000110.1
236D34.7Very low34Very low93 Ų93146.4 Ų146.450%0.49776%0.761SS.*  trans48.189.4158.1-62.1-37.5000120.4M1 N238M1-D236 HydrophobicContact CE-CB 3.89Å; D236-N238 PolarHBondContact OD1-ND2 2.86Å
237F35.9Very low33.9Very low221 Ų221145.2 Ų145.297%0.96976%0.755SS**  trans-110.187131.4-112.7-88.4000108.6
238N34.3Very low33.9Very low115 Ų115143.7 Ų143.762%0.61576%0.756SS**  trans-69.1132.4178.9-117.7-61.3000110.5D236 M240D236-N238 PolarHBondContact OD1-ND2 2.86Å; N238-M240 PolarHBondContact O-N 3.37Å
239S30.6Very low34Very low99 Ų99146.8 Ų146.869%0.69276%0.761SS**  trans-70.6127.4175.7-170.30000110
240M36.2Very low33.8Very low166 Ų166150 Ų15082%0.81877%0.768SS**  trans-117.291.7159.3-85.5-97.971.100106.8N238 V242N238-M240 PolarHBondContact O-N 3.37Å; M240-V242 PolarHBondContact O-N 3.09Å
241D32.6Very low34Very low136 Ų136148.6 Ų148.673%0.72776%0.762SS**  trans-70.4112.7171.7-171.34000108.9
242V37.8Very low34.2Very low128 Ų128149.5 Ų149.578%0.77676%0.762SS**  trans-133.992.9166.8-179.20000105.5M240M240-V242 PolarHBondContact O-N 3.09Å
243G30Very low34.2Very low64 Ų64149 Ų14966%0.6675%0.751SS**  trans-65.4145.6-169.300000113.9
244N33.5Very low34.4Very low152 Ų152148.1 Ų148.181%0.81375%0.753SS**  trans-126.493.7157.7-171.3-2.1000108.4
245R32.5Very low34.8Very low235 Ų235146.9 Ų146.989%0.88776%0.755SS**  trans-79.7116.7170.7-72.1-175.3177.2-1600.9108.4
246N36.2Very low34.9Very low154 Ų154145.6 Ų145.682%0.82476%0.758SS**  trans-164.792153.5-103.2-25.3000112.7
247S36.5Very low34.8Very low92 Ų92146.9 Ų146.964%0.64377%0.774SS**  trans-167.2102.4141.7-156.90000108.8W249S247-W249 PolarHBondContact OG-NE1 3.25Å; S247-W249 VanDerWaalsContact OG-NE1 3.12Å
248L35Very low35Very low173 Ų173142.3 Ų142.391%0.90677%0.77SS**  trans-112.7101.1-179.5-91.3171.7000110
249W38.1Very low35.4Very low221 Ų221143 Ų14384%0.83778%0.778SS**  trans-123.7115.1170.8-40.1-17.8000109.3S247S247-W249 PolarHBondContact OG-NE1 3.25Å; S247-W249 VanDerWaalsContact OG-NE1 3.12Å
250Y32.1Very low36.3Very low218 Ų218146.2 Ų146.286%0.85579%0.786SS**  trans28.7136.6141.9-78-101.3000120.3
251N34.2Very low36.4Very low110 Ų110143.6 Ų143.659%0.58878%0.784SS**  cis-165.5174.23.5-1578.6000111.9
252Q35.2Very low37Very low148 Ų148143.2 Ų143.269%0.69279%0.787SS**  trans3.7149.1149-77.6165.970.500120.5
253N34.2Very low37.3Very low129 Ų129142.9 Ų142.969%0.6979%0.785SS**  cis-161.7-168.113.4-141.63.3000113.8
254E38Very low38.6Very low171 Ų171147.7 Ų147.780%0.79979%0.792SS**  trans90.278.1156.5-49.9-135.6134.300120.3
255S37.8Very low39.8Very low109 Ų109145.3 Ų145.376%0.76279%0.785SS**  22.7121.1120.5-48.30000121
256S36.8Very low40.9Very low123 Ų123140 Ų14086%0.8678%0.78SS**  174.3151.1105.8-76.70000114.3
257S34.1Very low42Very low121 Ų121139.5 Ų139.585%0.84678%0.783SS**  trans-70.6146.5-172.1-50.40000116
258S39.9Very low42.8Very low125 Ų125140.2 Ų140.287%0.87479%0.788SS**  -165.2151.3118.137.60000112.5
259T42.4Very low43.6Very low130 Ų130138 Ų13880%0.79878%0.784SS**  trans-94.5146.4-176.249.20000112.4
260I49.1Very low44.3Very low165 Ų165133.2 Ų133.285%0.84678%0.784SS**  trans-153.5135.2139.6-98.9142.7000108.3
261S38.2Very low44.6Very low111 Ų111129.2 Ų129.278%0.77678%0.783SS**  trans-101.8133.5176.8-60.30000110.7
262T45.7Very low45.2Very low129 Ų129132.2 Ų132.279%0.79180%0.798SS**  trans-137.1124155.2-64.80000108.3
263V44.3Very low45.3Very low121 Ų121130.4 Ų130.473%0.73380%0.801SS**  trans-109.2128.2179.9-177.90000108.7
264M56.6Low45.3Very low165 Ų165130.4 Ų130.481%0.81381%0.806SS**  trans-137.5132.9166.5-83.6-72.8103.100109.4
265P58.5Low45.8Very low102 Ų102128 Ų12866%0.66281%0.809SS**PPolyproline II helixtrans-86.9156.8-174.234.8-35.8000113.1
266P55.9Low46.1Very low122 Ų122129.5 Ų129.579%0.79281%0.813SS**PPolyproline II helixtrans-76.2148.417033-34.5000111.6
267V59.8Low46.3Very low145 Ų145127.1 Ų127.188%0.87981%0.808SS**PPolyproline II helixtrans-92.7130.1172.7-72.10000111.4
268S52Low46.8Very low107 Ų107129.1 Ų129.175%0.74881%0.808SS**PPolyproline II helixtrans-98.9142.5173.9-640000110.9
269P53.7Low47Very low127 Ų127130.8 Ų130.883%0.82581%0.807SS**PPolyproline II helixtrans-78.8127.3175.731.2-33000111.4
270S51.5Low47.1Very low119 Ų119130 Ų13083%0.83281%0.805SS**PPolyproline II helixtrans-79.3121.4179.5-57.90000112.5
271T39.6Very low46.6Very low135 Ų135127.2 Ų127.283%0.82880%0.8SS**PPolyproline II helixtrans-93.2133.7159.149.90000109.7
272L45.4Very low47.1Very low173 Ų173127.5 Ų127.591%0.90680%0.799SS**  trans-132.6145169.4-89.2169.7000109.9
273S37.1Very low47.5Very low110 Ų110129.2 Ų129.277%0.76980%0.803SS**  trans-104.8149.5-162.7-57.30000114.2
274T34.8Very low47.2Very low129 Ų129130.2 Ų130.279%0.79181%0.805SS**  trans12.8124.8146.1-43.10000119.1
275S49.4Very low46.8Very low121 Ų121126.9 Ų126.985%0.84680%0.803SS**  trans-121.6143.5150.557.80000110.5
276T42.7Very low46Very low140 Ų140129.2 Ų129.286%0.85981%0.81SS**  trans-97.5147.8-175.939.20000112.2
277G41.7Very low45.2Very low73 Ų73128.5 Ų128.575%0.75381%0.808SS**  trans-164.775.3-175.800000117.3
278L45.3Very low44.3Very low163 Ų163133.4 Ų133.485%0.85381%0.811SS**  trans50.498.9144.1-55.6177.4000122.1
279N43Very low43.7Very low159 Ų159131.9 Ų131.985%0.8581%0.812SS**  62.3163.4119-91.6-0.3000123.1
280P44.1Very low43Very low114 Ų114132.9 Ų132.974%0.7482%0.816SS**  trans-126.6179.5-141.945.5-34.2000116.2
281S39.6Very low42.5Very low107 Ų107130.6 Ų130.675%0.74881%0.811SS**  trans-149.7134.8152.3-1630000111.7
282P47.6Very low42.5Very low116 Ų116132.1 Ų132.175%0.75381%0.813SS**  trans-101.2150.816637-29.6000111.7
283D55.2Low42.3Very low165 Ų165131.6 Ų131.688%0.88281%0.805SS**  trans-132.4149.4168.7-99.6-55.8000111.4
284N38.4Very low42.3Very low143 Ų143132.5 Ų132.577%0.76580%0.801SS**  trans-138.6131.6-167.2178.418.3000111.1
285A48.1Very low42.5Very low94 Ų94130.4 Ų130.478%0.77779%0.792SS**  trans-136.1117.8176.900000111.7
286N40Very low42.1Very low151 Ų151131.7 Ų131.781%0.80779%0.785SS**  trans-62.8155.2179.5-56.3-75.7000113.3
287S40.9Very low41.9Very low108 Ų108134 Ų13476%0.75578%0.783SS**  175.7111.9104.9-164.80000115.4
288R39.6Very low41.5Very low247 Ų247137.3 Ų137.393%0.93277%0.774SS**  55.8113127.7-157.7-176.5-155.7-176.76.4121.1
289G39.7Very low41.4Very low76 Ų76141.4 Ų141.478%0.78478%0.778SS**  trans-172.1135.7159.100000112.4
290T39.3Very low41Very low148 Ų148138.9 Ų138.991%0.90877%0.765SS**  trans-132147.2-164.747.20000115.6
291G40.5Very low40.7Very low70 Ų70138.9 Ų138.972%0.72276%0.763SS**  trans147106.2168.800000110.2
292I39.7Very low40.9Very low168 Ų168141.1 Ų141.186%0.86277%0.766SS**  72.190.550.9-51.8179.5000114
293H41.8Very low40.2Very low162 Ų162142.8 Ų142.875%0.7577%0.769SS**  trans-177.8108.7134.5-161.3-87.3000107.6
294N36.6Very low39.5Very low128 Ų128139.9 Ų139.968%0.68476%0.759SS**  84148.163.7-169.639.9000114.3
295S40.3Very low39.4Very low86 Ų86138 Ų13860%0.60176%0.757SS**  trans82.6110.2-161.9-1610000113.6
296Q39.7Very low39.1Very low148 Ų148138.7 Ų138.769%0.69276%0.756SS**  72.2121.454.2-160.5171.11.300110.1
297F39.5Very low39.1Very low189 Ų189136.9 Ų136.983%0.82976%0.755SS**  -130.4-174.755.2-85.4-91.4000117.1
298Y32.3Very low38.9Very low142 Ų142137.6 Ų137.656%0.55776%0.76SS**  trans-140.9143.4-152.9165.2-90.2000111.7D300Y298-D300 HydrophobicContact CE2-CB 4.18Å; Y298-D300 WeakPolarHBondContact CE2-OD2 3.41Å; Y298-D300 WeakPolarHBondContact OH-CB 3.38Å; Y298-D300 PolarHBondContact OH-OD2 3.03Å
299W43.2Very low39Very low248 Ų248131.6 Ų131.694%0.93976%0.756SS**  trans-156.2112.6147.6-71.6123.5000110.2
300D34.8Very low39Very low107 Ų107135.2 Ų135.257%0.57276%0.763SS**  trans-73178.4161.8-84.8-38.6000110.1Y298Y298-D300 HydrophobicContact CE2-CB 4.18Å; Y298-D300 WeakPolarHBondContact CE2-OD2 3.41Å; Y298-D300 WeakPolarHBondContact OH-CB 3.38Å; Y298-D300 PolarHBondContact OH-OD2 3.03Å
301T38.4Very low39.1Very low113 Ų113132 Ų13269%0.69376%0.76SS**  cis-157.4151.625.2-32.20000112
302N42.4Very low39Very low154 Ų154134.2 Ų134.282%0.82476%0.764SS**  trans143.498.7137.9-73-14000114.1
303N34.3Very low39.1Very low152 Ų152132.5 Ų132.581%0.81377%0.767SS**  trans-99.9-178154.4-134.4-2.6000106.7
304P40.2Very low39Very low104 Ų104128.5 Ų128.568%0.67577%0.769SS**  cis-140.6166.819.241.9-21.6000119.2
305S36.4Very low39.1Very low103 Ų103129.7 Ų129.772%0.7278%0.776SS**  trans60.1110.1138.463.70000122.6
306S40.8Very low39.1Very low109 Ų109132.9 Ų132.976%0.76279%0.786SS**  -161.699.2129.952.60000109.6
307S41.1Very low38.9Very low112 Ų112128.9 Ų128.978%0.78379%0.785SS**  59.4104.393.170.20000114.7
308S35.5Very low38.8Very low124 Ų124129 Ų12987%0.86779%0.793SS**  trans-66.7146.3175.354.20000113.8
309S42.6Very low38.8Very low121 Ų121125.6 Ų125.685%0.84680%0.801SS**  trans-143.6132.3155.451.50000111.2
310T39.7Very low38.6Very low152 Ų152123.2 Ų123.293%0.93380%0.798SS**  trans-96.3134.1172.211.40000109.3
311G41.5Very low38.4Very low81 Ų81125.1 Ų125.184%0.83580%0.803SS**  trans-122.4117.8177.900000111.7
312S38Very low38.5Very low115 Ų115127 Ų12780%0.80481%0.808SS**  trans-119117.3174.8-65.30000110.6
313S41.8Very low38Very low133 Ų133126.9 Ų126.993%0.9380%0.803SS**  trans174.8150.9157.6-81.60000108.4
314G40.2Very low38.2Very low77 Ų77125.4 Ų125.479%0.79480%0.804SS**  cis-149.4-1750.500000111.4
315N37.9Very low37.8Very low153 Ų153127.1 Ų127.182%0.81881%0.813SS**  trans-100.7-174.2-172.1-156.81.9000112.3
316N40.4Very low37.8Very low154 Ų154128.2 Ų128.282%0.82482%0.82SS**  trans88.8138.2178-43.9-27.2000113.9
317G35.2Very low37.4Very low64 Ų64128.8 Ų128.866%0.6682%0.824SS**  cis156.5157.2-7.300000112.8
318L38.8Very low37.3Very low190 Ų190131.7 Ų131.7100%0.99583%0.83SS**  trans69.1154.3179.9-47.5178000115.2
319G31.5Very low37.6Very low71 Ų71133.4 Ų133.473%0.73283%0.829SS**  trans-156-176.317900000110.7
320F39.1Very low37.2Very low198 Ų198136.2 Ų136.287%0.86883%0.829SS**  trans-146.9138.2175.655.1-86.7000110.5
321E30.8Very low37.1Very low148 Ų148134.4 Ų134.469%0.69282%0.818SS**  trans-100.3138.2164.3-174.6-169153.800107.6Q323E321-Q323 PolarHBondContact OE1-NE2 2.88Å
322L40.2Very low36.9Very low153 Ų153137.1 Ų137.180%0.80181%0.813SS**  trans-147.4115.5163.4-114.6172.8000110.8
323Q32.6Very low37.1Very low151 Ų151138.5 Ų138.571%0.70681%0.81SS**  trans-83.3137.6170-56.916919.400108.7E321E321-Q323 PolarHBondContact OE1-NE2 2.88Å
324S37.4Very low36.8Very low120 Ų120140.8 Ų140.884%0.83980%0.803SS**  trans-160.6128.9160-84.60000111.3
325T32.9Very low37.1Very low140 Ų140142.6 Ų142.686%0.85980%0.801SS**  trans-99.5124.2-179.850.30000111
326S36.5Very low36.8Very low126 Ų126146.2 Ų146.288%0.88180%0.803SS**  trans-143.8106.4164.7-71.50000110.7
327S32Very low36.7Very low121 Ų121144.1 Ų144.185%0.84680%0.801SS**  trans-92.8124.2161.156.10000109.2
328L39.5Very low36.8Very low174 Ų174148.3 Ų148.391%0.91181%0.808SS**  trans-140.8151.5157-106.4174000110
329L41.3Very low36.8Very low160 Ų160147.9 Ų147.984%0.83881%0.806SS**  trans-100.4129.4-174.1-60.3163.6000108.3
330E34.6Very low37.3Very low180 Ų180148.9 Ų148.984%0.84181%0.808SS**  trans-145.8116.1160-153.272.5-106.100109.1
331T36.1Very low37.5Very low114 Ų114145.5 Ų145.570%0.69981%0.805SS**  trans-68.3137.6167.935.20000110
332N37.8Very low38.3Very low138 Ų138147.2 Ų147.274%0.73881%0.813SS**  -176.2135.7121-95.9-48.6000114.9
333I41.6Very low38.3Very low143 Ų143148.2 Ų148.273%0.73381%0.811SS**  trans36.7113.6134.6-55.3167.9000118.4
334F36.5Very low38.7Very low182 Ų182147.8 Ų147.880%0.79881%0.814SS**  trans-76138.8155.3-96.6-83.8000111.4W336F334-W336 AromaticContact CD1-CD1 3.8Å; F334-W336 AromaticContact CD1-NE1 3.81Å; F334-W336 AromaticContact CE1-NE1 3.92Å
335P45.5Very low38.9Very low115 Ų115148.1 Ų148.175%0.74782%0.816SS**  trans-120.9141.3140.233.9-24.4000111.1
336W31.8Very low39Very low228 Ų228151 Ų15186%0.86482%0.82SS**  trans-97.5123.6166.9-73.814.7000109.1F334F334-W336 AromaticContact CD1-CD1 3.8Å; F334-W336 AromaticContact CD1-NE1 3.81Å; F334-W336 AromaticContact CE1-NE1 3.92Å
337S38Very low39.3Very low111 Ų111149.9 Ų149.978%0.77682%0.818SS**  trans-168.7158.4153-113.20000111
338D37.7Very low39.3Very low151 Ų151152.7 Ų152.781%0.80782%0.818SS**  trans48.9103.2162.3-59.7-44.8000120
339L39.2Very low39.1Very low182 Ų182152 Ų15295%0.95381%0.814SS**  -142.6135.5122.9-105.3173.2000109.5
340A43Very low38.8Very low92 Ų92152.8 Ų152.876%0.7681%0.814SS**PPolyproline II helixtrans-90.4167.1-169.500000113
341P41.9Very low39.2Very low127 Ų127152.6 Ų152.683%0.82581%0.813SS**PPolyproline II helixtrans-95.8161.5-160.537.4-36.4000115.8
342E47.5Very low39.2Very low183 Ų183155.3 Ų155.386%0.85582%0.817SS**PPolyproline II helixtrans-96.1164.3164.8-84.7-85.380.800111.8
343K41.8Very low39.8Very low175 Ų175155.5 Ų155.576%0.76182%0.818SS**  trans-86179.4-178.6-47.9167-176.6161.50111
344D39.3Very low39.6Very low142 Ų142156.7 Ų156.776%0.75982%0.818SS**  cis-144.21519.1-81.7-73.5000109.8
345S42.7Very low39.8Very low127 Ų127159.5 Ų159.589%0.88882%0.823SS**  trans173.8126146-82.80000112.3
346Q34.3Very low39.8Very low201 Ų201157.7 Ų157.794%0.93981%0.811SS**  trans-97.3114.9-174.1174.4-175.9-28.800112.4
347A42.5Very low40Very low101 Ų101154.2 Ų154.284%0.83581%0.81SS**  trans-152.687.1172.200000113.1
348Q32.3Very low40.4Very low180 Ų180156.8 Ų156.884%0.84181%0.814SS**  trans-45.4122.8174.1172.4-173.8-6.800116
349L35.8Very low40.5Very low161 Ų161157.8 Ų157.884%0.84382%0.818SS**  trans-166.4144.8135.4-116.5170.6000111.4
350E34.4Very low40.7Very low176 Ų176158.2 Ų158.282%0.82282%0.815SS**  trans-92.6141-175.1-59.6154.5114.600112
351E44.4Very low40.4Very low175 Ų175157.5 Ų157.582%0.81882%0.817SS**  trans-168.1109.6133.4-164.5168-173.700108.9
352E34.7Very low40.1Very low172 Ų172157.6 Ų157.680%0.80482%0.815SS**  trans-104.5112-176.7-173.5-177.5170.100111.3
353L50.1Low39.8Very low142 Ų142159 Ų15974%0.74382%0.818SS**  trans-133.688.8173.5-89.9167.6000111.3
354K38.5Very low39.8Very low168 Ų168156.7 Ų156.773%0.7383%0.825SS**  trans-96.6127.5177.1176.1177.8174.9-179.10110.1P356K354-P356 WeakPolarHBondContact O-CD 3.04Å
355W39.5Very low39.9Very low240 Ų240157.9 Ų157.991%0.90983%0.826SS**  trans-99.3111.4170.2-70.496.1000110.2
356P45.8Very low40Very low78 Ų78159.5 Ų159.551%0.50682%0.821SS.*  trans-98.1141.3168.736-31.3000112.4K354K354-P356 WeakPolarHBondContact O-CD 3.04Å
357D36.3Very low40.9Very low155 Ų155155.2 Ų155.283%0.82981%0.811SS**  trans3190.2134.3-46.1-44.4000118.2
358L46.3Very low41.1Very low165 Ų165154.8 Ų154.886%0.86481%0.807SS**  trans-133.4152158.8-74.7176.4000110.4
359L40Very low42Very low172 Ų172151.7 Ų151.790%0.90180%0.803SS**  trans77.538.7179.7-48.6-177.6000117.6G361L359-G361 PolarHBondContact O-N 2.9Å
360H43.2Very low42.4Very low191 Ų191151.4 Ų151.488%0.88480%0.799SS**  trans-74.6101.7142.4-89.7-85.7000108.9
361G36.8Very low42.9Very low77 Ų77150.9 Ų150.979%0.79480%0.796SS**  trans-106.887.7178.500000112.4L359L359-G361 PolarHBondContact O-N 2.9Å
362T35.1Very low42.5Very low128 Ų128149.4 Ų149.479%0.78579%0.794SS**  trans-86.5132.4174.52.90000111.4
363F41.8Very low42.8Very low212 Ų212149.4 Ų149.493%0.9380%0.799SS**  trans-137142.8160.6-100.3-84.2000110.2
364S41.2Very low42.1Very low128 Ų128146.9 Ų146.990%0.89579%0.793SS**  trans-89.3176.5-167.9-67.40000114.4
365E41.4Very low42.1Very low167 Ų167147.5 Ų147.578%0.7880%0.799SS**  trans-116.6138.2-155.7175.7179.5174.200113.5
366M45.6Very low41.7Very low160 Ų160140.9 Ų140.979%0.78879%0.789SS**  trans67.9171157.2-68-78.8163.300118.1
367P52.5Low41.5Very low111 Ų111145.1 Ų145.172%0.72181%0.807SS**  -143.2-160.8-66.643.7-26.4000115
368A48.3Very low41.4Very low92 Ų92147.9 Ų147.976%0.7681%0.807SS**  trans104.8146.4152.600000118
369P49.7Very low41Very low116 Ų116148.9 Ų148.975%0.75381%0.807SS**  trans-134.1166.7-14241.1-23.9000117.3
370M44.5Very low40.9Very low155 Ų155147.7 Ų147.776%0.76480%0.802SS**  trans-141.4130.7165-87.9-76.499.200113.3
371Q44.7Very low41Very low164 Ų164144.8 Ų144.877%0.76680%0.797SS**  trans17.7117.3144.9-64.5166.31.500118.5
372N36.1Very low41.2Very low145 Ų145147.5 Ų147.578%0.77580%0.798SS**  85.399.365.7-17924.2000114.8
373L41.5Very low41.5Very low172 Ų172150.9 Ų150.990%0.90180%0.802SS**  trans-152.8161.7144-157.960.8000109.9
374S35.1Very low41.6Very low89 Ų89145.7 Ų145.762%0.62280%0.798SS**  trans-130.1-174.5-164.1620000114.1
375Q38.3Very low41.2Very low181 Ų181149 Ų14985%0.84680%0.799SS**  trans83.2133-179.2-54.81771.200115
376S32.4Very low41.1Very low100 Ų100146.1 Ų146.170%0.69980%0.797SS**  cis130.9113.1-9.363.40000110.6
377L41.2Very low40.5Very low168 Ų168147.3 Ų147.388%0.8880%0.801SS**  trans-145.5121.9163.1-81.8-178.1000111.9
378Y34.6Very low39.6Very low213 Ų213152 Ų15284%0.83581%0.81SS**  trans55.1109.3154.4-93.9-93.7000121.7
379E36.7Very low39Very low185 Ų185153.6 Ų153.686%0.86481%0.806SS**  trans-78.1148.8141.5-60168.897.500109.9
380D38.5Very low38.6Very low148 Ų148155.1 Ų155.179%0.79181%0.805SS**  trans-166176.1134.5-138.8-37.5000111.7
381V44.3Very low38.5Very low130 Ų130155.6 Ų155.679%0.78881%0.805SS**  trans76.983.5176-166.80000115.7
382V41.9Very low38.3Very low134 Ų134150.4 Ų150.481%0.81280%0.795SS**  trans-98.8155.8159.1179.50000109.8
383K41.3Very low38.5Very low199 Ų199150 Ų15087%0.86579%0.793SS**  trans82.3111.2179.7-60.2177.6174.7172.80117.1
384A42.9Very low38.4Very low102 Ų102146.7 Ų146.784%0.84378%0.783SS**  -161.8127.9103.900000110.7
385E33.4Very low38.9Very low198 Ų198146.3 Ų146.393%0.92579%0.785SS**  trans-93.6124168-64.9171.1101.500109.5
386S39.1Very low38.9Very low106 Ų106141.9 Ų141.974%0.74178%0.779SS**  trans-171143.7141.544.30000112.6
387Q34Very low39.1Very low185 Ų185149.4 Ų149.486%0.86479%0.792SS**  trans38.495.5152.9-62.3-179.8-8.700118.8
388F33.5Very low39Very low210 Ų210146.6 Ų146.692%0.92179%0.787SS**  trans-130.4113.4142.1-99-83.7000110.6
389N35.9Very low39Very low125 Ų125145.5 Ų145.567%0.66879%0.789SS**  trans-85.5122.1172.7-176.721.7000109.1E391N389-E391 PolarHBondContact ND2-OE2 3.32Å
390M41.1Very low39Very low149 Ų149144 Ų14473%0.73479%0.788SS**  trans-104.450.9-172.2-158.8171.770.200113.4L393M390-L393 HydrophobicContact CE-CD1 4.08Å; M390-L393 HydrophobicContact CG-CD1 4.06Å; M390-L393 HydrophobicContact CG-CG 4.44Å; M390-L393 HydrophobicContact SD-CD1 3.65Å
391E41Very low38.9Very low165 Ų165144.4 Ų144.477%0.77179%0.789SS**  trans-89.8102170.6-67.9178.112200109.8N389N389-E391 PolarHBondContact ND2-OE2 3.32Å
392G41.9Very low38.5Very low54 Ų54146.6 Ų146.656%0.55780%0.795SS**  trans168.6-24.2173.900000118.2C394 A395G392-C394 PolarHBondContact O-N 3.47Å; G392-A395 PolarHBondContact O-N 3.41Å
393L39.9Very low38.3Very low137 Ų137145.5 Ų145.572%0.71779%0.791SS**THydrogen-bonded Turntrans-72.719.9-167.2-64.6179.7000116.9M390M390-L393 HydrophobicContact CE-CD1 4.08Å; M390-L393 HydrophobicContact CG-CD1 4.06Å; M390-L393 HydrophobicContact CG-CG 4.44Å; M390-L393 HydrophobicContact SD-CD1 3.65Å
394C40.3Very low38Very low103 Ų103145.1 Ų145.170%0.69679%0.792SS**THydrogen-bonded Turntrans-107.2-5.2169.9-76.50000114.3G392G392-C394 PolarHBondContact O-N 3.47Å
395A44Very low37.6Very low81 Ų81149.2 Ų149.267%0.66979%0.794SS**  trans-90.8-10.2-175.400000115.2G392 W397G392-A395 PolarHBondContact O-N 3.41Å; A395-W397 VanDerWaalsContact C-N 3.3Å; A395-W397 PolarHBondContact O-N 3.13Å
396A40.1Very low37.8Very low87 Ų87147.2 Ų147.272%0.71978%0.784SS**  trans-83.630.5-161.500000116.5
397W35.3Very low37.4Very low258 Ų258149.5 Ų149.598%0.97779%0.787SS**SBendtrans-119.829.9177.6-88.755000113A395A395-W397 VanDerWaalsContact C-N 3.3Å; A395-W397 PolarHBondContact O-N 3.13Å
398S38.8Very low37.6Very low109 Ų109145.2 Ų145.276%0.76278%0.775SS**  trans-138.247.6-177.9-60.50000113.4
399Q34.6Very low37.7Very low190 Ų190141.3 Ų141.389%0.88877%0.768SS**  trans-135.580.5171-72.8-162.415.200113.1
400N37Very low37.9Very low155 Ų155142 Ų14283%0.82978%0.777SS**SBendtrans-159.8156143.2-119.4-87.4000109
401L37Very low37.8Very low155 Ų155139 Ų13981%0.81277%0.77SS**  trans64.185.9-170.3-65.876.6000115.8
402L35.9Very low37.6Very low177 Ų177138.1 Ų138.193%0.92777%0.771SS**  trans-155.1165131.8-119.884.7000106.6
403P37.3Very low37.6Very low111 Ų111143.2 Ų143.272%0.72178%0.782SS**  trans-107.5151.8-141.911.811.1000114.2Q405P403-Q405 PolarHBondContact O-N 2.64Å
404Q35.9Very low37.5Very low190 Ų190147.1 Ų147.189%0.88879%0.789SS**  trans-74.1118.6160.5-78.8-167-8.800110.4
405Q33.4Very low37.6Very low189 Ų189147.9 Ų147.988%0.88379%0.786SS**  trans-102.3132.6145.7-67.9-175.3-0.100107.3P403P403-Q405 PolarHBondContact O-N 2.64Å
406H37Very low37.5Very low156 Ų156151.9 Ų151.972%0.72279%0.788SS**  trans-131.494.5171.6-178-83.5000109.6
407L30.6Very low37.6Very low154 Ų154154.6 Ų154.681%0.80679%0.791SS**  trans-69.9139.5162.2-95161.1000109.4
408P38.4Very low37.9Very low95 Ų95149.5 Ų149.562%0.61778%0.782SS**  trans-128.2152.8130.635.9-27.7000111.9
409V36.3Very low38Very low127 Ų127152 Ų15277%0.7778%0.781SS**  trans-74.7129.5176.8174.10000110.5
410V39.2Very low38.4Very low140 Ų140153.2 Ų153.285%0.84878%0.778SS**  trans-139138.3149.9-174.10000107.4
411S39.9Very low38.8Very low85 Ų85155.1 Ų155.159%0.59478%0.784SS**  trans-94.7163.9-179.1-530000112.7
412D37.4Very low39.2Very low148 Ų148152.5 Ų152.579%0.79178%0.779SS**  trans72.7146.2150.1-71.1-57.3000120.9
413M40.9Very low39.8Very low160 Ų160151.9 Ų151.979%0.78878%0.776SS**  trans56.2111.5162.1-63.7176.470.500118.4
414Y39.2Very low40.3Very low219 Ų219151.5 Ų151.586%0.85978%0.776SS**  -159.8112.4107.7-105.6-72.2000110.7
415D41.4Very low41.1Very low119 Ų119152.2 Ų152.264%0.63678%0.777SS**  trans-131.6145.2168.8171.434.2000107.3
416K42.5Very low41.9Very low165 Ų165150.9 Ų150.972%0.71777%0.77SS**  trans63.291.9-176.7-61.6132-176147.40117.7
417D41.5Very low42.5Very low144 Ų144150.2 Ų150.277%0.7777%0.772SS**  -125.5146.9127.8-88.8-44.1000107.1
418L41.3Very low43.7Very low152 Ų152154.8 Ų154.880%0.79680%0.795SS**  cis-135.5152.85.4-157.187.2000109.9
419Q42.1Very low44Very low160 Ų160157.8 Ų157.875%0.74880%0.804SS**  trans-83.2165174.1-67.3179.9-10.800113.2
420R43.1Very low44.4Very low217 Ų217159.4 Ų159.482%0.81981%0.805SS**  trans85.691.9169.6-52.1-176.8-175.690.2-1.4117.5
421M44.2Very low44.7Very low194 Ų194160.5 Ų160.596%0.95680%0.803SS**  -137.5136.2120.7-106.6173.463.100107.8
422S45.7Very low45Very low101 Ų101164.9 Ų164.971%0.70682%0.815SS**  trans-138.8154.6-170.4-56.60000111.2
423L48.6Very low45.5Very low163 Ų163166 Ų16685%0.85382%0.817SS**  trans77.5147.9169.8-48.4178.4000117.2
424S48.7Very low45.8Very low104 Ų104166.4 Ų166.473%0.72782%0.819SS**  trans52.2114169.754.90000116.7
425F52.2Low46.2Very low205 Ų205162.6 Ų162.690%0.89982%0.816SS**  -139.8162.859.5-121.4-98000115
426E50.2Low46.6Very low160 Ų160166 Ų16675%0.74883%0.83SS**  trans-139.2156.7-173.3-178.5175.7-15900109.6
427N49.2Very low47Very low143 Ų143166.1 Ų166.177%0.76584%0.839SS**  trans100.4135.9174.1-59.3-82.5000118.1
428I56.6Low47.4Very low250 Ų250168.1 Ų168.1100%1.28285%0.845SS**  trans70.90174.1-45.6-176.4000114.9

Retrieved 428 of 428 residues in 537.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).