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Rho GTPase-activating protein Graf

GTPase-activating protein for Rho family proteins1. Essential component of the CLIC (clathrin-independent carrier)/GEEC (GPI-anchored protein-enriched early endocytic compartment) endocytic pathway2. During hematopoiesis, inhibits Egfr-ras-MAPK signaling by promoting Spi-induced Egfr internalization through CLIC/GEEC endocytosis, thereby preventing plasmatocyte overproliferation3. Essential for normal mushroom body (MB) development and consequently the formation of olfactory long-term memories4. During MD development, required to stop the MB beta-lobe from crossing the brain midline, possibly acting via its role in the CLIC/GEEC endocytic pathway to down-regulate the Egfr-ras-MAPK signaling at the tip of the beta-lobes5. Required during embryo cellularization for maintaining and regulating the rate of actomyosin ring constriction6. During cellularization, inhibits Rho-GTP levels at the furrow canal tip in a spatiotemporal manner, thus delaying the onset of actomyosin contraction and ensuring appropriate closure of the cells at the base of nuclei after membrane extension7.

AlphaFold DB , UniProt , Accession X2JDY8, Species DROME (Drosophila melanogaster, Fruit fly), Gene Graf, Length 1,025 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M38.7Very low51.1Low244 Ų244141.7 Ų141.7100%1.20281%0.81SS**  0131.10-63.9-52.1-157.100108.3
2G40Very low54.3Low87 Ų87137.2 Ų137.290%0.89778%0.777SS**  trans-91.4138.7-165.100000115
3G37Very low57.1Low81 Ų81133 Ų13384%0.83576%0.758SS**  trans-12960172.100000111.4
4G40.3Very low59.7Low76 Ų76123.6 Ų123.678%0.78471%0.705SS**  trans-77.2130.5179.200000111.9N6G4-N6 PolarHBondContact O-N 3.36Å
5K42.8Very low61.9Low196 Ų196122.5 Ų122.585%0.85269%0.691SS**  trans-68.7125.6-177.1-63.3174.1-177.5175.60111V7K5-V7 PolarHBondContact O-N 2.94Å
6N40.6Very low63.9Low170 Ų170120.3 Ų120.391%0.90967%0.672SS**  trans-69.481.6165.1-91.7-24.1000110.1G4 R8G4-N6 PolarHBondContact O-N 3.36Å; N6-R8 PolarHBondContact O-N 3.43Å
7V45.1Very low65.6Low116 Ų116122.4 Ų122.470%0.70368%0.675SS**  trans-59122.7158.31790000106.7K5 R9K5-V7 PolarHBondContact O-N 2.94Å; V7-R9 VanDerWaalsContact C-N 3.32Å; V7-R9 PolarHBondContact O-N 3.09Å
8R53.1Low67.1Low244 Ų244118.9 Ų118.992%0.92165%0.653SS**  trans-62.297.1167.9-76.9-172.2178.2-168.4-0.4107.9N6N6-R8 PolarHBondContact O-N 3.43Å
9R59.6Low68.3Low219 Ų219112.7 Ų112.783%0.82662%0.619SS**  trans-60.8140.5159.6-63.5-171.4-138.6-169.25.8107.1V7V7-R9 VanDerWaalsContact C-N 3.32Å; V7-R9 PolarHBondContact O-N 3.09Å
10G78.2Confident69.5Low64 Ų64112.3 Ų112.366%0.6662%0.615SS**  trans-65.7175.1171.900000111.1
11L86.8Confident70.5Confident62 Ų62112 Ų11233%0.32562%0.616SS.*PPolyproline II helixtrans-62.4137.6163.2-63.7168.5000108.8R32 E36L11-R32 HydrophobicContact CD2-CB 3.93Å; L11-E36 HydrophobicContact CD1-CB 3.86Å; L11-E36 HydrophobicContact CD1-CG 4.07Å
12E89.3Confident73.1Confident87 Ų87102.8 Ų102.841%0.40757%0.572SS.*PPolyproline II helixtrans-73.5145.3175.5-74.7151.5165.500109.1N29 R32 H33E12-N29 PolarHBondContact O-ND2 3.41Å; E12-N29 PolarHBondContact O-OD1 3.47Å; E12-R32 IonicContact OE2-CZ 3.48Å; E12-R32 VanDerWaalsContact OE2-CZ 3.22Å; E12-R32 IonicContact OE2-NH1 3.22Å; E12-R32 PolarHBondContact OE2-NH1 3.42Å; E12-R32 IonicContact OE2-NH2 2.73Å; E12-R32 PolarHBondContact OE2-NH2 3.26Å; E12-H33 PolarHBondContact O-NE2 2.91Å
13P91.3Very high75.7Confident83 Ų8399.8 Ų99.854%0.53954%0.537SS..PPolyproline II helixtrans-51.8153.7173.5-26.936.1000112.3E15 N29P13-E15 WeakPolarHBondContact CB-OE1 3.29Å; P13-N29 PolarHBondContact O-ND2 3.46Å
14L93.2Very high78.4Confident1 Ų1101 Ų1011%0.00553%0.53CS..  trans-104.599.9174.6-70.5168.9000107.3F26 N29 L30 H33 V190 I193 Q194L14-F26 HydrophobicContact CD2-CD2 4.4Å; L14-F26 HydrophobicContact CD2-CE2 4.26Å; L14-N29 HydrophobicContact CD2-CB 3.91Å; L14-L30 HydrophobicContact CD1-CD1 3.95Å; L14-L30 HydrophobicContact CD2-CB 4.22Å; L14-H33 HydrophobicContact CD1-CB 4.19Å; L14-V190 HydrophobicContact CB-CG1 3.49Å; L14-V190 VanDerWaalsContact CB-CG1 3.49Å; L14-V190 HydrophobicContact CB-CG2 4.4Å; L14-V190 HydrophobicContact CD1-CG1 4.32Å; L14-V190 HydrophobicContact CD1-CG2 4.42Å; L14-V190 WeakPolarHBondContact O-CG1 3.49Å; L14-I193 HydrophobicContact CD1-CB 4.43Å; L14-I193 HydrophobicContact CD1-CD1 4.39Å; L14-I193 HydrophobicContact CD1-CG2 3.87Å; L14-Q194 PolarHBondContact O-NE2 3.23Å
15E92.6Very high80.8Confident107 Ų107102.8 Ų102.850%0.552%0.522SS..  trans-76.3142.1-170.4-65.2-58.8156.400112P13 E17 E18 C19P13-E15 WeakPolarHBondContact CB-OE1 3.29Å; E15-E17 PolarHBondContact O-N 2.91Å; E15-E18 HydrophobicContact CB-CG 4.14Å; E15-E18 WeakPolarHBondContact O-CB 3.26Å; E15-E18 PolarHBondContact O-N 3.17Å; E15-C19 PolarHBondContact O-N 3.43Å; E15-C19 PolarHBondContact O-SG 3.24Å
16F93.5Very high83.3Confident87 Ų8793.4 Ų93.438%0.38248%0.481SS..THydrogen-bonded Turntrans-69.5-21.9-179.2-70.5-43.7000113.3C19 L187 V190 L191F16-C19 WeakPolarHBondContact O-CB 3.15Å; F16-C19 PolarHBondContact O-N 2.9Å; F16-L187 HydrophobicContact CB-CD2 3.71Å; F16-L187 HydrophobicContact CD1-CD2 3.51Å; F16-L187 HydrophobicContact CE1-CD2 4.4Å; F16-L187 HydrophobicContact CG-CD2 3.88Å; F16-V190 HydrophobicContact CD1-CG1 4.16Å; F16-V190 HydrophobicContact CE1-CB 4.36Å; F16-V190 HydrophobicContact CE1-CG1 3.93Å; F16-L191 HydrophobicContact CE1-CB 4.18Å; F16-L191 HydrophobicContact CZ-CB 4.08Å; F16-L191 HydrophobicContact CZ-CD1 4.25Å
17E93.1Very high85.9Confident157 Ų15788.9 Ų88.973%0.73445%0.451SS*.THydrogen-bonded Turntrans-69.3-41.6172.6-173.5168.1-164.600111.3E15 C19 I20 V21E15-E17 PolarHBondContact O-N 2.91Å; E17-C19 PolarHBondContact O-N 3.41Å; E17-I20 WeakPolarHBondContact O-CB 3.37Å; E17-I20 PolarHBondContact O-N 3.44Å; E17-V21 PolarHBondContact O-N 3.29Å
18E92Very high88.2Confident60 Ų6089.3 Ų89.328%0.2845%0.446SS..Hα-helixtrans-61.1-31.1175.2-67.2-174.4137.900112.7E15 I20 V21 D22 F26E15-E18 HydrophobicContact CB-CG 4.14Å; E15-E18 WeakPolarHBondContact O-CB 3.26Å; E15-E18 PolarHBondContact O-N 3.17Å; E18-I20 PolarHBondContact O-N 3.09Å; E18-V21 PolarHBondContact O-N 3.34Å; E18-D22 PolarHBondContact O-N 2.88Å; E18-F26 HydrophobicContact CB-CB 3.91Å; E18-F26 HydrophobicContact CB-CD2 3.51Å; E18-F26 HydrophobicContact CB-CE2 4.25Å; E18-F26 HydrophobicContact CB-CG 3.82Å
19C91.2Very high90.1Very high0 Ų078.1 Ų78.10%040%0.404CS..Hα-helixtrans-63.4-22.2176.4-58.20000113.7E15 F16 E17 F26 L187E15-C19 PolarHBondContact O-N 3.43Å; E15-C19 PolarHBondContact O-SG 3.24Å; F16-C19 WeakPolarHBondContact O-CB 3.15Å; F16-C19 PolarHBondContact O-N 2.9Å; E17-C19 PolarHBondContact O-N 3.41Å; C19-F26 HydrophobicContact CB-CZ 4.24Å; C19-F26 VanDerWaalsContact SG-CZ 3.59Å; C19-L187 HydrophobicContact CB-CD2 3.71Å; C19-L187 HydrophobicContact CB-CG 4.43Å
20I90.8Very high91.8Very high104 Ų10467.8 Ų67.853%0.53337%0.365SS..Hα-helixtrans-90.3-39.5178.7-55.9171.2000110.1E17 E18 I183E17-I20 WeakPolarHBondContact O-CB 3.37Å; E17-I20 PolarHBondContact O-N 3.44Å; E18-I20 PolarHBondContact O-N 3.09Å; I20-I183 HydrophobicContact CG1-CG2 4.34Å; I20-I183 HydrophobicContact CG2-CD1 4.45Å
21V91.8Very high92.6Very high106 Ų10667.9 Ų67.964%0.64235%0.35SS*.Hα-helixtrans-72.9-31.2177.9179.80000112.1E17 E18 S23E17-V21 PolarHBondContact O-N 3.29Å; E18-V21 PolarHBondContact O-N 3.34Å; V21-S23 PolarHBondContact O-N 3.41Å
22D93.1Very high92.9Very high51 Ų5169 Ų6927%0.27335%0.35SS..THydrogen-bonded Turntrans53.147.5-176.8-161.630.4000114.3E18 R27 Y182E18-D22 PolarHBondContact O-N 2.88Å; D22-R27 VanDerWaalsContact CG-NH2 3.27Å; D22-R27 IonicContact OD1-CZ 2.8Å; D22-R27 VanDerWaalsContact OD1-CZ 3.24Å; D22-R27 IonicContact OD1-NE 2.67Å; D22-R27 PolarHBondContact OD1-NE 3.36Å; D22-R27 IonicContact OD1-NH2 2.69Å; D22-R27 PolarHBondContact OD1-NH2 3.34Å; D22-R27 IonicContact OD2-CZ 2.74Å; D22-R27 IonicContact OD2-NE 3.42Å; D22-R27 PolarHBondContact OD2-NE 2.95Å; D22-R27 IonicContact OD2-NH2 2.92Å; D22-R27 PolarHBondContact OD2-NH2 2.77Å; D22-Y182 PolarHBondContact OD1-OH 3.18Å; D22-Y182 PolarHBondContact OD2-OH 3.33Å
23S93.4Very high93.2Very high24 Ų2465.3 Ų65.317%0.16833%0.333CS..  trans-67.8155-175.970.90000113.1V21 D25 F26 R27V21-S23 PolarHBondContact O-N 3.41Å; S23-D25 PolarHBondContact O-N 3.43Å; S23-F26 WeakPolarHBondContact O-CB 3.38Å; S23-F26 PolarHBondContact O-N 3.11Å; S23-F26 VanDerWaalsContact OG-CB 3.25Å; S23-F26 WeakPolarHBondContact OG-CB 3.49Å; S23-F26 PolarHBondContact OG-N 3.29Å; S23-R27 WeakPolarHBondContact O-CG 3.46Å; S23-R27 PolarHBondContact O-N 3.48Å
24P93.6Very high93.4Very high107 Ų10763.5 Ų63.570%0.69532%0.318SS*.Hα-helixtrans-56.5-38170.9-25.535.8000112.8R27 E28P24-R27 PolarHBondContact O-N 3.07Å; P24-E28 PolarHBondContact O-N 2.91Å
25D91.9Very high93.5Very high113 Ų11369.7 Ų69.760%0.60434%0.344SS*.Hα-helixtrans-66.2-40.7178.9-49.9-88.9000111.9S23 E28 N29S23-D25 PolarHBondContact O-N 3.43Å; D25-E28 PolarHBondContact O-N 2.84Å; D25-N29 PolarHBondContact O-N 3.34Å
26F94.6Very high93.6Very high0 Ų068.4 Ų68.40%034%0.339CS..Hα-helixtrans-61.8-46.4171.3167.3-107.3000111.4L14 E18 C19 S23 E28 N29 L30 V190L14-F26 HydrophobicContact CD2-CD2 4.4Å; L14-F26 HydrophobicContact CD2-CE2 4.26Å; E18-F26 HydrophobicContact CB-CB 3.91Å; E18-F26 HydrophobicContact CB-CD2 3.51Å; E18-F26 HydrophobicContact CB-CE2 4.25Å; E18-F26 HydrophobicContact CB-CG 3.82Å; C19-F26 HydrophobicContact CB-CZ 4.24Å; C19-F26 VanDerWaalsContact SG-CZ 3.59Å; S23-F26 WeakPolarHBondContact O-CB 3.38Å; S23-F26 PolarHBondContact O-N 3.11Å; S23-F26 VanDerWaalsContact OG-CB 3.25Å; S23-F26 WeakPolarHBondContact OG-CB 3.49Å; S23-F26 PolarHBondContact OG-N 3.29Å; F26-E28 VanDerWaalsContact C-N 3.27Å; F26-E28 PolarHBondContact O-N 3.02Å; F26-N29 PolarHBondContact O-N 2.85Å; F26-L30 HydrophobicContact CE1-CD2 4.38Å; F26-L30 HydrophobicContact CZ-CD2 4.39Å; F26-L30 VanDerWaalsContact O-CB 3.27Å; F26-L30 WeakPolarHBondContact O-CB 3.3Å; F26-L30 PolarHBondContact O-N 2.86Å; F26-V190 HydrophobicContact CE2-CG2 3.98Å; F26-V190 HydrophobicContact CZ-CG2 3.81Å
27R94.6Very high93.6Very high75 Ų7564.6 Ų64.628%0.28332%0.322SS..Hα-helixtrans-61.2-34.4175.3-70.4-76.6-175.4169.6-8.6111.9D22 S23 P24 N31 F142D22-R27 VanDerWaalsContact CG-NH2 3.27Å; D22-R27 IonicContact OD1-CZ 2.8Å; D22-R27 VanDerWaalsContact OD1-CZ 3.24Å; D22-R27 IonicContact OD1-NE 2.67Å; D22-R27 PolarHBondContact OD1-NE 3.36Å; D22-R27 IonicContact OD1-NH2 2.69Å; D22-R27 PolarHBondContact OD1-NH2 3.34Å; D22-R27 IonicContact OD2-CZ 2.74Å; D22-R27 IonicContact OD2-NE 3.42Å; D22-R27 PolarHBondContact OD2-NE 2.95Å; D22-R27 IonicContact OD2-NH2 2.92Å; D22-R27 PolarHBondContact OD2-NH2 2.77Å; S23-R27 WeakPolarHBondContact O-CG 3.46Å; S23-R27 PolarHBondContact O-N 3.48Å; P24-R27 PolarHBondContact O-N 3.07Å; R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 2.91Å; R27-N31 VanDerWaalsContact O-N 3.11Å; R27-F142 VanDerWaalsContact CZ-CZ 3.49Å; R27-F142 VanDerWaalsContact NH1-CE1 3.31Å
28E93.7Very high93.7Very high125 Ų12559.8 Ų59.858%0.58430%0.301SS*.Hα-helixtrans-71.1-42.7172.1-179.4163.2-17200112.5P24 D25 F26 N31 R32P24-E28 PolarHBondContact O-N 2.91Å; D25-E28 PolarHBondContact O-N 2.84Å; F26-E28 VanDerWaalsContact C-N 3.27Å; F26-E28 PolarHBondContact O-N 3.02Å; E28-N31 WeakPolarHBondContact O-CB 3.11Å; E28-N31 PolarHBondContact O-N 3.45Å; E28-R32 WeakPolarHBondContact O-CG 3.4Å; E28-R32 PolarHBondContact O-N 2.92Å
29N94.1Very high93.9Very high8 Ų861.3 Ų61.34%0.04331%0.308CS..Hα-helixtrans-61.9-46.1175.6-166.114.4000111.5E12 P13 L14 D25 F26 N31 R32 H33E12-N29 PolarHBondContact O-ND2 3.41Å; E12-N29 PolarHBondContact O-OD1 3.47Å; P13-N29 PolarHBondContact O-ND2 3.46Å; L14-N29 HydrophobicContact CD2-CB 3.91Å; D25-N29 PolarHBondContact O-N 3.34Å; F26-N29 PolarHBondContact O-N 2.85Å; N29-N31 VanDerWaalsContact C-N 3.28Å; N29-N31 PolarHBondContact O-N 3.37Å; N29-R32 WeakPolarHBondContact O-CA 3.37Å; N29-R32 WeakPolarHBondContact O-CB 3.37Å; N29-R32 PolarHBondContact O-N 3.48Å; N29-R32 PolarHBondContact OD1-NH2 2.73Å; N29-H33 PolarHBondContact O-CD2 3.16Å; N29-H33 PolarHBondContact O-N 2.88Å
30L95Very high94.1Very high3 Ų362.4 Ų62.42%0.01632%0.315CS..Hα-helixtrans-55.3-44.2174.2-174.464.4000111.4L14 F26 R32 H33 E34 F142 Y189 V190 I193L14-L30 HydrophobicContact CD1-CD1 3.95Å; L14-L30 HydrophobicContact CD2-CB 4.22Å; F26-L30 HydrophobicContact CE1-CD2 4.38Å; F26-L30 HydrophobicContact CZ-CD2 4.39Å; F26-L30 VanDerWaalsContact O-CB 3.27Å; F26-L30 WeakPolarHBondContact O-CB 3.3Å; F26-L30 PolarHBondContact O-N 2.86Å; L30-R32 PolarHBondContact O-N 2.93Å; L30-H33 PolarHBondContact O-N 3Å; L30-E34 WeakPolarHBondContact O-CG 3.44Å; L30-E34 PolarHBondContact O-N 2.86Å; L30-F142 HydrophobicContact CD2-CE1 3.93Å; L30-F142 HydrophobicContact CD2-CZ 4.05Å; L30-Y189 HydrophobicContact CD1-CD1 4.38Å; L30-Y189 HydrophobicContact CD1-CE1 4.03Å; L30-Y189 HydrophobicContact CD2-CD1 4.5Å; L30-Y189 HydrophobicContact CD2-CE1 4.13Å; L30-Y189 HydrophobicContact CG-CE1 4.35Å; L30-V190 HydrophobicContact CD1-CG2 4.18Å; L30-I193 HydrophobicContact CD1-CD1 3.46Å; L30-I193 VanDerWaalsContact CD1-CD1 3.46Å
31N94.6Very high94.3Very high65 Ų6557.8 Ų57.835%0.34829%0.292SS..Hα-helixtrans-64.8-34.2175.3-172.5-12.3000112.7R27 E28 N29 K35R27-N31 WeakPolarHBondContact O-CB 3.31Å; R27-N31 PolarHBondContact O-N 2.91Å; R27-N31 VanDerWaalsContact O-N 3.11Å; E28-N31 WeakPolarHBondContact O-CB 3.11Å; E28-N31 PolarHBondContact O-N 3.45Å; N29-N31 VanDerWaalsContact C-N 3.28Å; N29-N31 PolarHBondContact O-N 3.37Å; N31-K35 WeakPolarHBondContact O-CB 3.44Å; N31-K35 WeakPolarHBondContact O-CD 3.41Å; N31-K35 VanDerWaalsContact O-CG 3.29Å; N31-K35 WeakPolarHBondContact O-CG 3.24Å; N31-K35 PolarHBondContact O-N 2.95Å; N31-K35 VanDerWaalsContact O-N 3.08Å; N31-K35 WeakPolarHBondContact OD1-CE 3.46Å; N31-K35 PolarHBondContact OD1-NZ 3.35Å
32R94.4Very high94.6Very high85 Ų8558 Ų5832%0.32129%0.286SS..Hα-helixtrans-63.8-43.4171-70.5-178-78.5149.3-6.9111.6L11 E12 E28 N29 L30 K35 E36L11-R32 HydrophobicContact CD2-CB 3.93Å; E12-R32 IonicContact OE2-CZ 3.48Å; E12-R32 VanDerWaalsContact OE2-CZ 3.22Å; E12-R32 IonicContact OE2-NH1 3.22Å; E12-R32 PolarHBondContact OE2-NH1 3.42Å; E12-R32 IonicContact OE2-NH2 2.73Å; E12-R32 PolarHBondContact OE2-NH2 3.26Å; E28-R32 WeakPolarHBondContact O-CG 3.4Å; E28-R32 PolarHBondContact O-N 2.92Å; N29-R32 WeakPolarHBondContact O-CA 3.37Å; N29-R32 WeakPolarHBondContact O-CB 3.37Å; N29-R32 PolarHBondContact O-N 3.48Å; N29-R32 PolarHBondContact OD1-NH2 2.73Å; L30-R32 PolarHBondContact O-N 2.93Å; R32-K35 PolarHBondContact O-N 3.2Å; R32-E36 PolarHBondContact O-N 2.67Å
33H95.6Very high94.7Very high11 Ų1159 Ų595%0.05129%0.288CS..Hα-helixtrans-64.5-44.3174.3-80.9-95.9000113E12 L14 N29 L30 K35 E36 L37 I193E12-H33 PolarHBondContact O-NE2 2.91Å; L14-H33 HydrophobicContact CD1-CB 4.19Å; N29-H33 PolarHBondContact O-CD2 3.16Å; N29-H33 PolarHBondContact O-N 2.88Å; L30-H33 PolarHBondContact O-N 3Å; H33-K35 VanDerWaalsContact C-N 3.33Å; H33-K35 PolarHBondContact O-N 2.86Å; H33-E36 PolarHBondContact O-N 2.89Å; H33-L37 WeakPolarHBondContact O-CG 3.37Å; H33-L37 PolarHBondContact O-N 3.27Å; H33-I193 HydrophobicContact CB-CG2 3.79Å
34E94.8Very high94.9Very high45 Ų4557.9 Ų57.921%0.2128%0.281CS..Hα-helixtrans-56-47.1175.5-76.9-174.6-148.200111.9L30 E36 L37 D38 K139 Y189L30-E34 WeakPolarHBondContact O-CG 3.44Å; L30-E34 PolarHBondContact O-N 2.86Å; E34-E36 PolarHBondContact O-N 2.93Å; E34-L37 PolarHBondContact O-N 3.27Å; E34-D38 PolarHBondContact O-N 3.18Å; E34-K139 IonicContact OE1-NZ 3.79Å; E34-K139 PolarHBondContact OE1-NZ 3.27Å; E34-K139 IonicContact OE2-NZ 3.87Å; E34-K139 PolarHBondContact OE2-NZ 3.03Å; E34-Y189 WeakPolarHBondContact CG-OH 3.47Å; E34-Y189 PolarHBondContact OE1-OH 3.28Å; E34-Y189 VanDerWaalsContact OE1-OH 3.12Å
35K94.6Very high95Very high130 Ų13059 Ų5957%0.56528%0.275SS*.Hα-helixtrans-61.4-42179.4-77.1164175.91470112.6N31 R32 H33 H39N31-K35 WeakPolarHBondContact O-CB 3.44Å; N31-K35 WeakPolarHBondContact O-CD 3.41Å; N31-K35 VanDerWaalsContact O-CG 3.29Å; N31-K35 WeakPolarHBondContact O-CG 3.24Å; N31-K35 PolarHBondContact O-N 2.95Å; N31-K35 VanDerWaalsContact O-N 3.08Å; N31-K35 WeakPolarHBondContact OD1-CE 3.46Å; N31-K35 PolarHBondContact OD1-NZ 3.35Å; R32-K35 PolarHBondContact O-N 3.2Å; H33-K35 VanDerWaalsContact C-N 3.33Å; H33-K35 PolarHBondContact O-N 2.86Å; K35-H39 WeakPolarHBondContact O-CB 3.27Å; K35-H39 PolarHBondContact O-N 2.98Å
36E94.4Very high95.3Very high81 Ų8161.3 Ų61.338%0.37928%0.275SS..Hα-helixtrans-71.8-35.9179.2-170.356.9-144.500112.2L11 R32 H33 E34 H39 T40L11-E36 HydrophobicContact CD1-CB 3.86Å; L11-E36 HydrophobicContact CD1-CG 4.07Å; R32-E36 PolarHBondContact O-N 2.67Å; H33-E36 PolarHBondContact O-N 2.89Å; E34-E36 PolarHBondContact O-N 2.93Å; E36-H39 PolarHBondContact O-N 2.81Å; E36-H39 IonicContact OE1-CD2 2.79Å; E36-T40 VanDerWaalsContact O-CB 3.31Å; E36-T40 WeakPolarHBondContact O-CB 3.47Å; E36-T40 PolarHBondContact O-N 2.83Å; E36-T40 PolarHBondContact O-OG1 3.46Å
37L95.3Very high95.4Very high6 Ų664.1 Ų64.13%0.03129%0.289CS..Hα-helixtrans-65.3-41.8173.3-73.9177.6000111.9H33 E34 S41 I132 V135 I193 V196 I200H33-L37 WeakPolarHBondContact O-CG 3.37Å; H33-L37 PolarHBondContact O-N 3.27Å; E34-L37 PolarHBondContact O-N 3.27Å; L37-S41 WeakPolarHBondContact O-CB 3.46Å; L37-S41 PolarHBondContact O-N 2.8Å; L37-I132 HydrophobicContact CB-CG2 4.26Å; L37-V135 HydrophobicContact CD1-CG1 4.13Å; L37-V135 HydrophobicContact CD1-CG2 4.32Å; L37-I193 HydrophobicContact CD1-CG1 4.18Å; L37-I193 HydrophobicContact CD1-CG2 4.16Å; L37-V196 HydrophobicContact CD2-CG1 3.77Å; L37-I200 HydrophobicContact CD2-CD1 4.04Å
38D94.8Very high95.4Very high57 Ų5761.1 Ų61.131%0.30528%0.279SS..Hα-helixtrans-69.5-36.2173.1-98.7-33.2000112.3E34 S41 H42 K136E34-D38 PolarHBondContact O-N 3.18Å; D38-S41 WeakPolarHBondContact O-CB 3.27Å; D38-S41 PolarHBondContact O-N 3.11Å; D38-H42 PolarHBondContact O-N 2.69Å; D38-H42 VanDerWaalsContact O-N 3.07Å; D38-H42 PolarHBondContact O-ND1 3.3Å; D38-K136 WeakPolarHBondContact OD1-CE 3.45Å; D38-K136 IonicContact OD1-NZ 2.7Å; D38-K136 PolarHBondContact OD1-NZ 3.3Å; D38-K136 IonicContact OD2-NZ 2.75Å; D38-K136 PolarHBondContact OD2-NZ 3.21Å
39H95.4Very high95.6Very high92 Ų9260.1 Ų60.143%0.42627%0.273SS..Hα-helixtrans-59.1-51171.9-174.580.3000111K35 E36 S41 H42 Q43K35-H39 WeakPolarHBondContact O-CB 3.27Å; K35-H39 PolarHBondContact O-N 2.98Å; E36-H39 PolarHBondContact O-N 2.81Å; E36-H39 IonicContact OE1-CD2 2.79Å; H39-S41 VanDerWaalsContact C-N 3.32Å; H39-S41 PolarHBondContact O-N 3.26Å; H39-H42 WeakPolarHBondContact O-CA 3.25Å; H39-H42 WeakPolarHBondContact O-CB 3.47Å; H39-H42 PolarHBondContact O-N 3.05Å; H39-Q43 PolarHBondContact CE1-NE2 3.49Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.29Å; H39-Q43 PolarHBondContact NE2-NE2 3.4Å; H39-Q43 PolarHBondContact O-N 3.24Å
40T95.3Very high95.7Very high22 Ų2264.3 Ų64.314%0.13529%0.292CS..Hα-helixtrans-58.6-42.8176.6-62.90000111.4E36 H42 Q43 I44 I132 I200E36-T40 VanDerWaalsContact O-CB 3.31Å; E36-T40 WeakPolarHBondContact O-CB 3.47Å; E36-T40 PolarHBondContact O-N 2.83Å; E36-T40 PolarHBondContact O-OG1 3.46Å; T40-H42 PolarHBondContact O-N 3.23Å; T40-Q43 PolarHBondContact O-N 3.31Å; T40-I44 HydrophobicContact CG2-CD1 3.78Å; T40-I44 HydrophobicContact CG2-CG1 4.24Å; T40-I44 WeakPolarHBondContact O-CG1 3.47Å; T40-I44 PolarHBondContact O-N 3.26Å; T40-I132 HydrophobicContact CG2-CD1 3.93Å; T40-I200 HydrophobicContact CG2-CD1 4.05Å
41S96.1Very high95.7Very high7 Ų764.7 Ų64.75%0.04929%0.294CS..Hα-helixtrans-58.4-34.1174.2-170.50000113.1L37 D38 H39 K45 R128L37-S41 WeakPolarHBondContact O-CB 3.46Å; L37-S41 PolarHBondContact O-N 2.8Å; D38-S41 WeakPolarHBondContact O-CB 3.27Å; D38-S41 PolarHBondContact O-N 3.11Å; H39-S41 VanDerWaalsContact C-N 3.32Å; H39-S41 PolarHBondContact O-N 3.26Å; S41-K45 WeakPolarHBondContact O-CB 3.31Å; S41-K45 PolarHBondContact O-N 3.31Å; S41-R128 PolarHBondContact O-NE 2.99Å; S41-R128 PolarHBondContact OG-NE 2.71Å; S41-R128 PolarHBondContact OG-NH2 3.36Å
42H96.4Very high95.6Very high111 Ų11165.5 Ų65.551%0.51430%0.295SS..Hα-helixtrans-76.1-41174.6-7487000112.4D38 H39 T40 K45 R46D38-H42 PolarHBondContact O-N 2.69Å; D38-H42 VanDerWaalsContact O-N 3.07Å; D38-H42 PolarHBondContact O-ND1 3.3Å; H39-H42 WeakPolarHBondContact O-CA 3.25Å; H39-H42 WeakPolarHBondContact O-CB 3.47Å; H39-H42 PolarHBondContact O-N 3.05Å; T40-H42 PolarHBondContact O-N 3.23Å; H42-K45 WeakPolarHBondContact O-CB 3.42Å; H42-K45 PolarHBondContact O-N 2.86Å; H42-R46 PolarHBondContact O-N 2.88Å; H42-R46 VanDerWaalsContact O-N 3.12Å
43Q96.2Very high95.7Very high71 Ų7165.1 Ų65.133%0.33230%0.299SS..Hα-helixtrans-64.6-44.3176.7-59.7-6513.700111.7H39 T40 K45 R46 I47H39-Q43 PolarHBondContact CE1-NE2 3.49Å; H39-Q43 VanDerWaalsContact CE1-NE2 3.29Å; H39-Q43 PolarHBondContact NE2-NE2 3.4Å; H39-Q43 PolarHBondContact O-N 3.24Å; T40-Q43 PolarHBondContact O-N 3.31Å; Q43-K45 VanDerWaalsContact C-N 3.27Å; Q43-K45 PolarHBondContact O-N 3.31Å; Q43-R46 WeakPolarHBondContact O-CA 3.47Å; Q43-R46 WeakPolarHBondContact O-CB 3.38Å; Q43-R46 PolarHBondContact O-N 2.9Å; Q43-I47 WeakPolarHBondContact O-CG1 3.01Å; Q43-I47 PolarHBondContact O-N 3.06Å
44I96.5Very high95.7Very high2 Ų268.4 Ų68.41%0.0132%0.317CS..Hα-helixtrans-61.4-36.6175.3-63.8176.7000110.9T40 R46 I47 I48 F127 R128 I132 F204T40-I44 HydrophobicContact CG2-CD1 3.78Å; T40-I44 HydrophobicContact CG2-CG1 4.24Å; T40-I44 WeakPolarHBondContact O-CG1 3.47Å; T40-I44 PolarHBondContact O-N 3.26Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.49Å; I44-I47 PolarHBondContact O-N 2.85Å; I44-I48 HydrophobicContact CG2-CD1 3.8Å; I44-I48 HydrophobicContact CG2-CG1 4.34Å; I44-I48 WeakPolarHBondContact O-CD1 3.29Å; I44-I48 VanDerWaalsContact O-CG1 3.26Å; I44-I48 WeakPolarHBondContact O-CG1 3.4Å; I44-I48 PolarHBondContact O-N 2.85Å; I44-F127 HydrophobicContact CD1-CD1 3.93Å; I44-F127 HydrophobicContact CD1-CE1 3.95Å; I44-R128 HydrophobicContact CG2-CB 4.04Å; I44-R128 HydrophobicContact CG2-CG 4.35Å; I44-I132 HydrophobicContact CD1-CD1 3.84Å; I44-F204 HydrophobicContact CD1-CD2 3.88Å; I44-F204 HydrophobicContact CD1-CE2 3.8Å; I44-F204 HydrophobicContact CD1-CG 4.47Å; I44-F204 HydrophobicContact CD1-CZ 4.33Å; I44-F204 HydrophobicContact CG1-CD2 4.29Å; I44-F204 HydrophobicContact CG1-CE2 3.68Å; I44-F204 HydrophobicContact CG1-CZ 4.01Å; I44-F204 HydrophobicContact CG2-CE2 4.46Å
45K97Very high95.5Very high131 Ų13166.4 Ų66.457%0.5731%0.307SS*.Hα-helixtrans-61-36.7173.2-166.8-175.2176-171.90112.5S41 H42 Q43 K49S41-K45 WeakPolarHBondContact O-CB 3.31Å; S41-K45 PolarHBondContact O-N 3.31Å; H42-K45 WeakPolarHBondContact O-CB 3.42Å; H42-K45 PolarHBondContact O-N 2.86Å; Q43-K45 VanDerWaalsContact C-N 3.27Å; Q43-K45 PolarHBondContact O-N 3.31Å; K45-K49 PolarHBondContact O-N 3.25Å
46R97.6Very high95.5Very high161 Ų16163.3 Ų63.361%0.60830%0.302SS*.Hα-helixtrans-70.7-45.3175.1-64.5178.373-164.35.3111.3H42 Q43 I44 I48 K49 E50H42-R46 PolarHBondContact O-N 2.88Å; H42-R46 VanDerWaalsContact O-N 3.12Å; Q43-R46 WeakPolarHBondContact O-CA 3.47Å; Q43-R46 WeakPolarHBondContact O-CB 3.38Å; Q43-R46 PolarHBondContact O-N 2.9Å; I44-R46 VanDerWaalsContact C-N 3.3Å; I44-R46 PolarHBondContact O-N 3.49Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 3.18Å; R46-K49 WeakPolarHBondContact O-CA 3.43Å; R46-K49 WeakPolarHBondContact O-CB 3.21Å; R46-K49 PolarHBondContact O-N 3.32Å; R46-E50 PolarHBondContact O-N 3.3Å
47I96.3Very high95.6Very high58 Ų5862.1 Ų62.130%0.29731%0.306SS..Hα-helixtrans-56.8-45.5176.1-65.1167.3000110.8Q43 I44 K49 E50 V51 L124 F204 L208Q43-I47 WeakPolarHBondContact O-CG1 3.01Å; Q43-I47 PolarHBondContact O-N 3.06Å; I44-I47 PolarHBondContact O-N 2.85Å; I47-K49 VanDerWaalsContact C-N 3.28Å; I47-K49 PolarHBondContact O-N 2.81Å; I47-E50 PolarHBondContact O-N 3.02Å; I47-V51 HydrophobicContact CG2-CG2 4.22Å; I47-V51 WeakPolarHBondContact O-CB 3.39Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.37Å; I47-V51 PolarHBondContact O-N 3.35Å; I47-L124 HydrophobicContact CG2-CD1 4.25Å; I47-F204 HydrophobicContact CD1-CZ 4.07Å; I47-L208 HydrophobicContact CG2-CD2 4.32Å
48I96Very high95.6Very high13 Ų1362.2 Ų62.27%0.06731%0.308CS..Hα-helixtrans-59.9-36.1176.3-68161.3000112.1I44 R46 K52 L124 E125I44-I48 HydrophobicContact CG2-CD1 3.8Å; I44-I48 HydrophobicContact CG2-CG1 4.34Å; I44-I48 WeakPolarHBondContact O-CD1 3.29Å; I44-I48 VanDerWaalsContact O-CG1 3.26Å; I44-I48 WeakPolarHBondContact O-CG1 3.4Å; I44-I48 PolarHBondContact O-N 2.85Å; R46-I48 VanDerWaalsContact C-N 3.31Å; R46-I48 PolarHBondContact O-N 3.18Å; I48-K52 HydrophobicContact CG2-CD 4.21Å; I48-K52 WeakPolarHBondContact O-CB 3.36Å; I48-K52 VanDerWaalsContact O-CG 3.3Å; I48-K52 WeakPolarHBondContact O-CG 3.44Å; I48-K52 PolarHBondContact O-N 2.79Å; I48-K52 VanDerWaalsContact O-N 3.14Å; I48-L124 HydrophobicContact CD1-CB 3.92Å; I48-L124 HydrophobicContact CG1-CB 3.63Å; I48-L124 HydrophobicContact CG1-CD1 4.09Å; I48-E125 HydrophobicContact CD1-CG 3.94Å; I48-E125 HydrophobicContact CG2-CG 4.12Å
49K96.8Very high95.5Very high103 Ų10363 Ų6345%0.44831%0.309SS..Hα-helixtrans-64.7-56.1174-179.7-161.4154.4-64.10110.4K45 R46 I47 V51 K52 D53K45-K49 PolarHBondContact O-N 3.25Å; R46-K49 WeakPolarHBondContact O-CA 3.43Å; R46-K49 WeakPolarHBondContact O-CB 3.21Å; R46-K49 PolarHBondContact O-N 3.32Å; I47-K49 VanDerWaalsContact C-N 3.28Å; I47-K49 PolarHBondContact O-N 2.81Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 3.46Å; K49-K52 WeakPolarHBondContact O-CB 3.44Å; K49-K52 PolarHBondContact O-N 3.06Å; K49-D53 WeakPolarHBondContact CE-OD2 3.31Å; K49-D53 IonicContact NZ-OD2 2.72Å; K49-D53 PolarHBondContact NZ-OD2 3.47Å; K49-D53 PolarHBondContact O-N 2.85Å
50E96.5Very high95.5Very high96 Ų9663.4 Ų63.445%0.44931%0.313SS..Hα-helixtrans-63.9-34.1-175.3-50.2-42.9133.800112.2R46 I47 D53 L54R46-E50 PolarHBondContact O-N 3.3Å; I47-E50 PolarHBondContact O-N 3.02Å; E50-D53 PolarHBondContact O-N 2.88Å; E50-L54 VanDerWaalsContact O-CB 3.25Å; E50-L54 WeakPolarHBondContact O-CB 3.45Å; E50-L54 PolarHBondContact O-N 3.38Å
51V94.2Very high95.6Very high11 Ų1166 Ų667%0.06733%0.325CS..Hα-helixtrans-64-42.2172.2170.80000111.6I47 K49 M55 I120 I121 F211I47-V51 HydrophobicContact CG2-CG2 4.22Å; I47-V51 WeakPolarHBondContact O-CB 3.39Å; I47-V51 VanDerWaalsContact O-CG2 3.31Å; I47-V51 WeakPolarHBondContact O-CG2 3.37Å; I47-V51 PolarHBondContact O-N 3.35Å; K49-V51 VanDerWaalsContact C-N 3.28Å; K49-V51 PolarHBondContact O-N 3.46Å; V51-M55 HydrophobicContact CG1-SD 4.11Å; V51-M55 WeakPolarHBondContact O-CB 3.5Å; V51-M55 VanDerWaalsContact O-CG 3.31Å; V51-M55 WeakPolarHBondContact O-CG 3.39Å; V51-M55 PolarHBondContact O-N 2.85Å; V51-I120 HydrophobicContact CG1-CG2 4.34Å; V51-I121 HydrophobicContact CG1-CD1 4.43Å; V51-I121 HydrophobicContact CG1-CG1 3.97Å; V51-F211 HydrophobicContact CG1-CE2 4.38Å; V51-F211 HydrophobicContact CG1-CZ 4.18Å; V51-F211 HydrophobicContact CG2-CE1 4.19Å; V51-F211 HydrophobicContact CG2-CZ 4.45Å
52K94.4Very high95.5Very high83 Ų8366 Ų6636%0.36133%0.326SS..Hα-helixtrans-64.4-42.7175.6-80.3175.2-178.7-1740112.4I48 K49 M55 S56 I121 E125I48-K52 HydrophobicContact CG2-CD 4.21Å; I48-K52 WeakPolarHBondContact O-CB 3.36Å; I48-K52 VanDerWaalsContact O-CG 3.3Å; I48-K52 WeakPolarHBondContact O-CG 3.44Å; I48-K52 PolarHBondContact O-N 2.79Å; I48-K52 VanDerWaalsContact O-N 3.14Å; K49-K52 WeakPolarHBondContact O-CB 3.44Å; K49-K52 PolarHBondContact O-N 3.06Å; K52-M55 PolarHBondContact O-N 3.41Å; K52-S56 WeakPolarHBondContact O-CB 3.45Å; K52-S56 PolarHBondContact O-N 3.02Å; K52-I121 HydrophobicContact CG-CD1 3.64Å; K52-I121 HydrophobicContact CG-CG1 4.14Å; K52-I121 HydrophobicContact CG-CG2 4.46Å; K52-E125 IonicContact NZ-OE1 3.07Å; K52-E125 PolarHBondContact NZ-OE1 2.71Å
53D95.9Very high95.4Very high77 Ų7765.1 Ų65.141%0.41233%0.328SS..Hα-helixtrans-67.3-43-179.8-64.5-18.5000110.9K49 E50 S56 A57K49-D53 WeakPolarHBondContact CE-OD2 3.31Å; K49-D53 IonicContact NZ-OD2 2.72Å; K49-D53 PolarHBondContact NZ-OD2 3.47Å; K49-D53 PolarHBondContact O-N 2.85Å; E50-D53 PolarHBondContact O-N 2.88Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.21Å; D53-A57 PolarHBondContact O-N 3.01Å
54L94.6Very high95.5Very high79 Ų7970.4 Ų70.441%0.41435%0.345SS..Hα-helixtrans-58.8-46.8171.7172.258.2000112E50 S56 A57 A58 F211 W215E50-L54 VanDerWaalsContact O-CB 3.25Å; E50-L54 WeakPolarHBondContact O-CB 3.45Å; E50-L54 PolarHBondContact O-N 3.38Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 3.39Å; L54-A57 PolarHBondContact O-N 3.2Å; L54-A58 WeakPolarHBondContact O-CB 3.43Å; L54-A58 PolarHBondContact O-N 3.22Å; L54-F211 HydrophobicContact CD2-CE1 4.32Å; L54-F211 HydrophobicContact CD2-CZ 3.93Å; L54-W215 HydrophobicContact CD1-CZ2 4.41Å; L54-W215 HydrophobicContact CD2-CZ2 4.38Å; L54-W215 HydrophobicContact CG-CZ2 4.29Å
55M92.2Very high95.5Very high3 Ų373.5 Ų73.52%0.01536%0.36CS..Hα-helixtrans-67-32.8177.8-76-176.457.800112.8V51 K52 K59 L113 A116 D117 I121V51-M55 HydrophobicContact CG1-SD 4.11Å; V51-M55 WeakPolarHBondContact O-CB 3.5Å; V51-M55 VanDerWaalsContact O-CG 3.31Å; V51-M55 WeakPolarHBondContact O-CG 3.39Å; V51-M55 PolarHBondContact O-N 2.85Å; K52-M55 PolarHBondContact O-N 3.41Å; M55-K59 WeakPolarHBondContact O-CB 3.29Å; M55-K59 VanDerWaalsContact O-CG 3.25Å; M55-K59 WeakPolarHBondContact O-CG 3.46Å; M55-K59 PolarHBondContact O-N 3.04Å; M55-L113 WeakPolarHBondContact CE-O 3.34Å; M55-L113 HydrophobicContact CG-CD2 4.26Å; M55-A116 HydrophobicContact CE-CB 3.55Å; M55-A116 HydrophobicContact SD-CB 3.64Å; M55-D117 HydrophobicContact CE-CB 4.4Å; M55-D117 WeakPolarHBondContact CE-OD1 3.33Å; M55-I121 HydrophobicContact CE-CD1 4.02Å; M55-I121 HydrophobicContact SD-CD1 3.5Å; M55-I121 WeakPolarHBondContact SD-CD1 3.28Å; M55-I121 HydrophobicContact SD-CG1 4.19Å
56S93.7Very high95.5Very high65 Ų6569.2 Ų69.246%0.45534%0.341SS..Hα-helixtrans-63.6-49.2172.4-168.60000111K52 D53 L54 A58 K59 I60K52-S56 WeakPolarHBondContact O-CB 3.45Å; K52-S56 PolarHBondContact O-N 3.02Å; D53-S56 WeakPolarHBondContact O-CB 3.48Å; D53-S56 PolarHBondContact O-N 3.21Å; L54-S56 VanDerWaalsContact C-N 3.33Å; L54-S56 PolarHBondContact O-N 3.39Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact O-N 3.02Å; S56-K59 PolarHBondContact O-N 3.47Å; S56-I60 WeakPolarHBondContact O-CG1 3.43Å; S56-I60 PolarHBondContact O-N 3.37Å
57A96.2Very high95.4Very high57 Ų5766 Ų6647%0.47133%0.333SS..Hα-helixtrans-59.5-42.717600000112.3D53 L54 I60 L61D53-A57 PolarHBondContact O-N 3.01Å; L54-A57 PolarHBondContact O-N 3.2Å; A57-I60 PolarHBondContact O-N 3.49Å; A57-L61 PolarHBondContact O-N 3.5Å
58A95Very high95.5Very high7 Ų767 Ų676%0.05834%0.339CS..Hα-helixtrans-66.5-38.4178.100000113.1L54 S56 L61 S62 L113 W215L54-A58 WeakPolarHBondContact O-CB 3.43Å; L54-A58 PolarHBondContact O-N 3.22Å; S56-A58 VanDerWaalsContact C-N 3.34Å; S56-A58 PolarHBondContact O-N 3.02Å; A58-L61 PolarHBondContact O-N 2.87Å; A58-S62 PolarHBondContact O-N 3.42Å; A58-L113 HydrophobicContact CB-CD1 3.94Å; A58-L113 HydrophobicContact CB-CD2 3.66Å; A58-L113 HydrophobicContact CB-CG 4.42Å; A58-W215 HydrophobicContact CB-CH2 4.05Å
59K94Very high95.6Very high75 Ų7566.8 Ų66.833%0.32634%0.339SS..Hα-helixtrans-65.1-39.3173-75.2170.1176.61760111.8M55 S56 T63 L113 D117M55-K59 WeakPolarHBondContact O-CB 3.29Å; M55-K59 VanDerWaalsContact O-CG 3.25Å; M55-K59 WeakPolarHBondContact O-CG 3.46Å; M55-K59 PolarHBondContact O-N 3.04Å; S56-K59 PolarHBondContact O-N 3.47Å; K59-T63 WeakPolarHBondContact O-CB 3.48Å; K59-T63 PolarHBondContact O-N 3Å; K59-T63 PolarHBondContact O-OG1 3.08Å; K59-L113 HydrophobicContact CG-CB 4.46Å; K59-L113 HydrophobicContact CG-CD1 4.04Å; K59-D117 IonicContact NZ-OD1 2.77Å; K59-D117 PolarHBondContact NZ-OD1 3.32Å; K59-D117 IonicContact NZ-OD2 2.72Å; K59-D117 PolarHBondContact NZ-OD2 2.9Å
60I95.5Very high95.5Very high100 Ų10066.1 Ų66.151%0.51334%0.339SS..Hα-helixtrans-63.7-48.2173.9-68.2165.3000110.6S56 A57 S62 T63 R64S56-I60 WeakPolarHBondContact O-CG1 3.43Å; S56-I60 PolarHBondContact O-N 3.37Å; A57-I60 PolarHBondContact O-N 3.49Å; I60-S62 PolarHBondContact O-N 2.9Å; I60-T63 PolarHBondContact O-N 3.35Å; I60-R64 WeakPolarHBondContact O-CG 3.39Å; I60-R64 PolarHBondContact O-N 2.77Å
61L96.1Very high95.5Very high76 Ų7666.5 Ų66.540%0.39834%0.344SS..Hα-helixtrans-55.9-49.8177.4176.359.6000111.3A57 A58 T63 R64 M65A57-L61 PolarHBondContact O-N 3.5Å; A58-L61 PolarHBondContact O-N 2.87Å; L61-T63 PolarHBondContact O-N 3.33Å; L61-R64 PolarHBondContact O-N 3.49Å; L61-R64 VanDerWaalsContact O-N 3.12Å; L61-M65 HydrophobicContact CD1-CE 4.45Å; L61-M65 HydrophobicContact CD1-CG 4.01Å; L61-M65 HydrophobicContact CG-CG 4.44Å; L61-M65 WeakPolarHBondContact O-CG 3.4Å; L61-M65 PolarHBondContact O-N 2.85Å
62S95Very high95.6Very high8 Ų867.6 Ų67.66%0.05635%0.35CS..Hα-helixtrans-59.9-44.8179.7-157.40000112.4A58 I60 R64 M65 K66 E106A58-S62 PolarHBondContact O-N 3.42Å; I60-S62 PolarHBondContact O-N 2.9Å; S62-R64 VanDerWaalsContact C-N 3.28Å; S62-R64 PolarHBondContact O-N 2.83Å; S62-M65 PolarHBondContact O-N 3.35Å; S62-K66 WeakPolarHBondContact O-CG 3.46Å; S62-K66 PolarHBondContact O-N 3.26Å; S62-E106 WeakPolarHBondContact CA-OE2 3.35Å; S62-E106 WeakPolarHBondContact CB-OE2 3.27Å; S62-E106 PolarHBondContact OG-OE2 3.23Å
63T94.7Very high95.6Very high92 Ų9267.5 Ų67.556%0.56435%0.353SS*.Hα-helixtrans-58.3-39.5176.2-54.10000111.8K59 I60 L61 Q67K59-T63 WeakPolarHBondContact O-CB 3.48Å; K59-T63 PolarHBondContact O-N 3Å; K59-T63 PolarHBondContact O-OG1 3.08Å; I60-T63 PolarHBondContact O-N 3.35Å; L61-T63 PolarHBondContact O-N 3.33Å; T63-Q67 WeakPolarHBondContact O-CB 3.46Å; T63-Q67 PolarHBondContact O-N 3.39Å; T63-Q67 VanDerWaalsContact O-N 3.13Å
64R97.2Very high95.3Very high181 Ų18168.9 Ų68.968%0.68336%0.36SS*.Hα-helixtrans-74.1-39.9178.5-64.1-58.5179.9-169.1-1.7112.7I60 L61 S62 Q67 L68I60-R64 WeakPolarHBondContact O-CG 3.39Å; I60-R64 PolarHBondContact O-N 2.77Å; L61-R64 PolarHBondContact O-N 3.49Å; L61-R64 VanDerWaalsContact O-N 3.12Å; S62-R64 VanDerWaalsContact C-N 3.28Å; S62-R64 PolarHBondContact O-N 2.83Å; R64-Q67 PolarHBondContact O-N 3.49Å; R64-L68 PolarHBondContact O-N 3.22Å
65M97.3Very high95.2Very high68 Ų6870.4 Ų70.434%0.33536%0.364SS..Hα-helixtrans-65.7-42.5176-71.5-63.6-141.500111.9L61 S62 Q67 L68 A69 I102 E106L61-M65 HydrophobicContact CD1-CE 4.45Å; L61-M65 HydrophobicContact CD1-CG 4.01Å; L61-M65 HydrophobicContact CG-CG 4.44Å; L61-M65 WeakPolarHBondContact O-CG 3.4Å; L61-M65 PolarHBondContact O-N 2.85Å; S62-M65 PolarHBondContact O-N 3.35Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; M65-Q67 PolarHBondContact O-N 3.35Å; M65-L68 WeakPolarHBondContact O-CB 3.5Å; M65-L68 PolarHBondContact O-N 3.32Å; M65-A69 PolarHBondContact O-N 2.75Å; M65-I102 HydrophobicContact CB-CG2 4.01Å; M65-I102 WeakPolarHBondContact O-CG2 3.32Å; M65-E106 HydrophobicContact CB-CG 3.53Å; M65-E106 HydrophobicContact CG-CG 4.31Å
66K96.1Very high94.9Very high40 Ų4075.2 Ų75.217%0.17439%0.389CS..Hα-helixtrans-64.1-37.1173.5-66.5-167.5-174.8-162.50112.4S62 L68 A69 I70 E106 D107 E110S62-K66 WeakPolarHBondContact O-CG 3.46Å; S62-K66 PolarHBondContact O-N 3.26Å; K66-L68 VanDerWaalsContact C-N 3.35Å; K66-L68 PolarHBondContact O-N 2.96Å; K66-A69 WeakPolarHBondContact O-CB 3.29Å; K66-A69 PolarHBondContact O-N 3.22Å; K66-I70 WeakPolarHBondContact O-CG1 3.24Å; K66-I70 PolarHBondContact O-N 3.3Å; K66-I70 VanDerWaalsContact O-N 3.08Å; K66-E106 HydrophobicContact CD-CB 4.36Å; K66-E106 VanDerWaalsContact CE-O 3.27Å; K66-E106 WeakPolarHBondContact CE-O 3.2Å; K66-E106 HydrophobicContact CG-CB 3.8Å; K66-E106 PolarHBondContact NZ-O 2.92Å; K66-D107 IonicContact NZ-OD1 3.23Å; K66-D107 PolarHBondContact NZ-OD1 2.88Å; K66-E110 IonicContact NZ-OE2 2.79Å; K66-E110 PolarHBondContact NZ-OE2 3.24Å
67Q96.6Very high94.6Very high94 Ų9475.8 Ų75.844%0.43938%0.384SS..Hα-helixtrans-64.9-36.9173.2-175.360.481.300112.8T63 R64 M65 L71T63-Q67 WeakPolarHBondContact O-CB 3.46Å; T63-Q67 PolarHBondContact O-N 3.39Å; T63-Q67 VanDerWaalsContact O-N 3.13Å; R64-Q67 PolarHBondContact O-N 3.49Å; M65-Q67 VanDerWaalsContact C-N 3.34Å; M65-Q67 PolarHBondContact O-N 3.35Å; Q67-L71 WeakPolarHBondContact O-CG 3.45Å; Q67-L71 PolarHBondContact O-N 2.88Å
68L97.5Very high93.9Very high79 Ų7981.9 Ų81.941%0.41440%0.403SS..Hα-helixtrans-66-42172.5176.360.8000111.4R64 M65 K66 I70 L71 L72 I102R64-L68 PolarHBondContact O-N 3.22Å; M65-L68 WeakPolarHBondContact O-CB 3.5Å; M65-L68 PolarHBondContact O-N 3.32Å; K66-L68 VanDerWaalsContact C-N 3.35Å; K66-L68 PolarHBondContact O-N 2.96Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 3.36Å; L68-L71 PolarHBondContact O-N 3.48Å; L68-L72 HydrophobicContact CD1-CD1 4.04Å; L68-L72 HydrophobicContact CD1-CG 4.08Å; L68-L72 HydrophobicContact CG-CD1 3.89Å; L68-L72 HydrophobicContact CG-CG 4.39Å; L68-L72 WeakPolarHBondContact O-CG 3.38Å; L68-L72 PolarHBondContact O-N 3.12Å; L68-I102 HydrophobicContact CD2-CD1 4.36Å
69A97.4Very high93.4Very high9 Ų983.2 Ų83.27%0.07441%0.411CS..Hα-helixtrans-58.2-44.3177.600000112.5M65 K66 L72 N73 G99 I102M65-A69 PolarHBondContact O-N 2.75Å; K66-A69 WeakPolarHBondContact O-CB 3.29Å; K66-A69 PolarHBondContact O-N 3.22Å; A69-L72 PolarHBondContact O-N 2.96Å; A69-N73 WeakPolarHBondContact O-CB 3.48Å; A69-N73 PolarHBondContact O-N 3.3Å; A69-G99 WeakPolarHBondContact CB-O 3.39Å; A69-I102 HydrophobicContact CB-CB 4.18Å; A69-I102 HydrophobicContact CB-CG2 4.06Å
70I96.2Very high92.7Very high88 Ų8886.2 Ų86.245%0.45143%0.429SS..Hα-helixtrans-61.2-49.1174.9-66.8163.5000110.6K66 L68 L72 N73 D74K66-I70 WeakPolarHBondContact O-CG1 3.24Å; K66-I70 PolarHBondContact O-N 3.3Å; K66-I70 VanDerWaalsContact O-N 3.08Å; L68-I70 VanDerWaalsContact C-N 3.34Å; L68-I70 PolarHBondContact O-N 3.36Å; I70-L72 VanDerWaalsContact C-N 3.3Å; I70-L72 PolarHBondContact O-N 3.48Å; I70-N73 PolarHBondContact O-N 2.66Å; I70-N73 VanDerWaalsContact O-N 3.12Å; I70-D74 PolarHBondContact O-N 2.79Å
71L96.6Very high91.8Very high105 Ų10583.3 Ų83.355%0.5542%0.424SS..Hα-helixtrans-61.1-37.5179.6-70.9170.2000112.4Q67 L68 F75Q67-L71 WeakPolarHBondContact O-CG 3.45Å; Q67-L71 PolarHBondContact O-N 2.88Å; L68-L71 PolarHBondContact O-N 3.48Å; L71-F75 VanDerWaalsContact O-CB 3.28Å; L71-F75 WeakPolarHBondContact O-CB 3.41Å; L71-F75 PolarHBondContact O-N 3.12Å; L71-F75 VanDerWaalsContact O-N 3.1Å
72L96.4Very high90.9Very high34 Ų3484.8 Ų84.818%0.17844%0.436CS..Hα-helixtrans-70.8-31.3176-71.9169.9000113.1L68 A69 I70 L95 K96 F98 I102L68-L72 HydrophobicContact CD1-CD1 4.04Å; L68-L72 HydrophobicContact CD1-CG 4.08Å; L68-L72 HydrophobicContact CG-CD1 3.89Å; L68-L72 HydrophobicContact CG-CG 4.39Å; L68-L72 WeakPolarHBondContact O-CG 3.38Å; L68-L72 PolarHBondContact O-N 3.12Å; A69-L72 PolarHBondContact O-N 2.96Å; I70-L72 VanDerWaalsContact C-N 3.3Å; I70-L72 PolarHBondContact O-N 3.48Å; L72-L95 WeakPolarHBondContact CB-O 3.46Å; L72-L95 HydrophobicContact CD2-CB 4.48Å; L72-L95 HydrophobicContact CD2-CD2 4.13Å; L72-L95 CarbonylContact O-C 3.52Å; L72-L95 WeakPolarHBondContact O-CB 3.33Å; L72-K96 PolarHBondContact O-N 3.12Å; L72-F98 HydrophobicContact CD1-CB 4.21Å; L72-I102 HydrophobicContact CD1-CD1 3.79Å
73N92.6Very high90.2Very high81 Ų8185.6 Ų85.643%0.43344%0.443SS..Hα-helixtrans-75.1-38.3176.2-18084.3000112.9A69 I70 K96A69-N73 WeakPolarHBondContact O-CB 3.48Å; A69-N73 PolarHBondContact O-N 3.3Å; I70-N73 PolarHBondContact O-N 2.66Å; I70-N73 VanDerWaalsContact O-N 3.12Å; N73-K96 VanDerWaalsContact O-CG 3.24Å; N73-K96 WeakPolarHBondContact O-CG 3.49Å
74D91.3Very high89.6Confident105 Ų10583.6 Ų83.656%0.56143%0.428SS*.Hα-helixtrans-82.7-20.4-178.2-63.6-8.5000112.2I70 N76I70-D74 PolarHBondContact O-N 2.79Å; D74-N76 PolarHBondContact O-N 3.04Å; D74-N76 PolarHBondContact O-ND2 2.79Å
75F90.8Very high89Confident112 Ų11275.2 Ų75.249%0.49140%0.397SS..  trans-68.5124.8177.5-166.1-83.2000111.9L71 F77 L95L71-F75 VanDerWaalsContact O-CB 3.28Å; L71-F75 WeakPolarHBondContact O-CB 3.41Å; L71-F75 PolarHBondContact O-N 3.12Å; L71-F75 VanDerWaalsContact O-N 3.1Å; F75-F77 AromaticContact CD1-CD1 3.95Å; F75-F77 HydrophobicContact CD1-CD1 3.95Å; F75-F77 HydrophobicContact CE1-CB 3.94Å; F75-F77 AromaticContact CE1-CD1 3.6Å; F75-F77 HydrophobicContact CE1-CD1 3.6Å; F75-F77 HydrophobicContact CE1-CE1 4.48Å; F75-F77 HydrophobicContact CE1-CG 4.12Å; F75-L95 HydrophobicContact CB-CD1 4.45Å; F75-L95 HydrophobicContact CD1-CD1 3.35Å; F75-L95 HydrophobicContact CE1-CD1 3.87Å; F75-L95 HydrophobicContact CG-CD1 4.19Å
76N87.5Confident88.4Confident103 Ų10375.5 Ų75.555%0.55140%0.4SS*.  trans-134.5144.7173.2-66.8-98.1000108D74 K96D74-N76 PolarHBondContact O-N 3.04Å; D74-N76 PolarHBondContact O-ND2 2.79Å; N76-K96 WeakPolarHBondContact OD1-CE 3.45Å; N76-K96 PolarHBondContact OD1-NZ 3.07Å
77F86.6Confident88.1Confident77 Ų7774.7 Ų74.734%0.33840%0.397SS..  trans-139.4151.2179.962.3-81.5000111F75 I91 C92 L95F75-F77 AromaticContact CD1-CD1 3.95Å; F75-F77 HydrophobicContact CD1-CD1 3.95Å; F75-F77 HydrophobicContact CE1-CB 3.94Å; F75-F77 AromaticContact CE1-CD1 3.6Å; F75-F77 HydrophobicContact CE1-CD1 3.6Å; F75-F77 HydrophobicContact CE1-CE1 4.48Å; F75-F77 HydrophobicContact CE1-CG 4.12Å; F77-I91 HydrophobicContact CZ-CG2 4.24Å; F77-C92 HydrophobicContact CE1-CB 4.46Å; F77-C92 HydrophobicContact CZ-CB 4.33Å; F77-L95 HydrophobicContact CD1-CD1 4.11Å; F77-L95 HydrophobicContact CE1-CD1 3.77Å
78E82.2Confident87.7Confident186 Ų18671.1 Ų71.187%0.86938%0.381SS*.  trans-101.6122.1-177.1-64.2-177.4169.700110.5
79C84.5Confident87.3Confident34 Ų3471 Ų7123%0.2338%0.381CS..  trans-74144.4173.2-69.90000111.4G81 Q84 C92C79-G81 PolarHBondContact O-N 3.43Å; C79-Q84 HydrophobicContact CB-CG 4.05Å; C79-C92 VanDerWaalsContact SG-SG 3.63Å
80I79.5Confident87.1Confident138 Ų13872.7 Ų72.771%0.70839%0.39SS*.SBendtrans-71.6113.3-179-55.1178.2000110.5L569I80-L569 HydrophobicContact CG2-CD1 3.87Å
81G75.8Confident86.9Confident40 Ų4069.9 Ų69.941%0.41238%0.375SS..SBendtrans164.4-175.6176.900000110.9C79C79-G81 PolarHBondContact O-N 3.43Å
82T77.1Confident86.6Confident106 Ų10665.7 Ų65.765%0.6535%0.354SS*.SBendtrans-92.1-7.216676.70000112.7K499T82-K499 PolarHBondContact OG1-NZ 3.29Å
83A79.4Confident86.4Confident25 Ų2568.1 Ų68.121%0.20737%0.365CS..SBendtrans-159.7161.2179.800000109.7K499 F573A83-K499 HydrophobicContact CB-CB 3.88Å; A83-K499 HydrophobicContact CB-CD 3.65Å; A83-K499 HydrophobicContact CB-CG 3.57Å; A83-F573 HydrophobicContact CB-CE2 4.43Å; A83-F573 HydrophobicContact CB-CZ 3.91Å
84Q82.4Confident86.6Confident51 Ų5164.7 Ų64.724%0.23835%0.347CS..  trans-107.7148.1177.3-53.4-163.518.200110.6C79 E88 N89 C92C79-Q84 HydrophobicContact CB-CG 4.05Å; Q84-E88 VanDerWaalsContact CA-OE2 3.31Å; Q84-E88 WeakPolarHBondContact CA-OE2 3.45Å; Q84-E88 HydrophobicContact CB-CB 3.99Å; Q84-N89 WeakPolarHBondContact CB-OD1 3.44Å; Q84-C92 PolarHBondContact OE1-SG 3.02Å
85T84.6Confident86.7Confident5 Ų561.3 Ų61.33%0.03133%0.329CS..  trans-77167169.268.60000111.2D87 E88 N89 K572 F573 I576T85-D87 PolarHBondContact O-N 3.01Å; T85-D87 PolarHBondContact OG1-N 3.29Å; T85-E88 PolarHBondContact N-OE2 3.32Å; T85-E88 PolarHBondContact O-N 3.37Å; T85-E88 VanDerWaalsContact O-N 3.16Å; T85-E88 WeakPolarHBondContact OG1-CG 3.37Å; T85-E88 PolarHBondContact OG1-N 3.02Å; T85-N89 PolarHBondContact O-N 2.89Å; T85-N89 PolarHBondContact O-ND2 2.98Å; T85-K572 HydrophobicContact CG2-CB 4.46Å; T85-K572 HydrophobicContact CG2-CD 3.7Å; T85-K572 HydrophobicContact CG2-CG 3.9Å; T85-F573 HydrophobicContact CG2-CE1 4.05Å; T85-F573 HydrophobicContact CG2-CZ 4.32Å; T85-I576 HydrophobicContact CG2-CD1 4.13Å
86D85.5Confident86.9Confident74 Ų7458 Ų5840%0.39631%0.314SS..Hα-helixtrans-59.1-35.8174.6-55.2-31000112.2V90 R506D86-V90 WeakPolarHBondContact O-CB 3.5Å; D86-V90 VanDerWaalsContact O-CG2 3.27Å; D86-V90 WeakPolarHBondContact O-CG2 3.44Å; D86-V90 PolarHBondContact O-N 3.32Å; D86-R506 VanDerWaalsContact CG-NH1 3.31Å; D86-R506 IonicContact OD1-CZ 3.22Å; D86-R506 IonicContact OD1-NH1 2.79Å; D86-R506 PolarHBondContact OD1-NH1 3.42Å; D86-R506 IonicContact OD1-NH2 3.77Å; D86-R506 PolarHBondContact OD1-NH2 3.29Å; D86-R506 IonicContact OD2-CZ 2.65Å; D86-R506 IonicContact OD2-NH1 3.13Å; D86-R506 PolarHBondContact OD2-NH1 2.68Å; D86-R506 IonicContact OD2-NH2 2.65Å
87D88.7Confident87.2Confident22 Ų2260.1 Ų60.112%0.11832%0.315CS..Hα-helixtrans-66.4-44.3176.2-46.8-71.3000110.8T85 V90 I91 K239 K242T85-D87 PolarHBondContact O-N 3.01Å; T85-D87 PolarHBondContact OG1-N 3.29Å; D87-V90 PolarHBondContact O-N 3.09Å; D87-I91 WeakPolarHBondContact O-CB 3.35Å; D87-I91 WeakPolarHBondContact O-CD1 3.21Å; D87-I91 WeakPolarHBondContact O-CG1 3.33Å; D87-I91 PolarHBondContact O-N 3.47Å; D87-K239 HydrophobicContact CB-CB 4.28Å; D87-K239 HydrophobicContact CB-CG 4.32Å; D87-K242 IonicContact OD1-NZ 2.71Å; D87-K242 PolarHBondContact OD1-NZ 3.08Å; D87-K242 VanDerWaalsContact OD2-CE 3.31Å; D87-K242 WeakPolarHBondContact OD2-CE 3.46Å; D87-K242 IonicContact OD2-NZ 3.51Å; D87-K242 PolarHBondContact OD2-NZ 3.28Å
88E88.9Confident87.7Confident20 Ų2059.3 Ų59.39%0.09331%0.311CS..Hα-helixtrans-64-44.1176.6-71.3166.4164.200111.3Q84 T85 V90 I91 C92 T243 K572Q84-E88 VanDerWaalsContact CA-OE2 3.31Å; Q84-E88 WeakPolarHBondContact CA-OE2 3.45Å; Q84-E88 HydrophobicContact CB-CB 3.99Å; T85-E88 PolarHBondContact N-OE2 3.32Å; T85-E88 PolarHBondContact O-N 3.37Å; T85-E88 VanDerWaalsContact O-N 3.16Å; T85-E88 WeakPolarHBondContact OG1-CG 3.37Å; T85-E88 PolarHBondContact OG1-N 3.02Å; E88-V90 PolarHBondContact O-N 2.96Å; E88-I91 PolarHBondContact O-N 2.85Å; E88-I91 VanDerWaalsContact O-N 3.16Å; E88-C92 PolarHBondContact O-N 3.25Å; E88-C92 PolarHBondContact O-SG 2.78Å; E88-T243 HydrophobicContact CG-CG2 4.36Å; E88-K572 IonicContact OE1-NZ 2.69Å; E88-K572 PolarHBondContact OE1-NZ 2.86Å; E88-K572 IonicContact OE2-NZ 3.28Å; E88-K572 PolarHBondContact OE2-NZ 2.79Å
89N89.9Confident88.3Confident77 Ų7750.7 Ų50.741%0.41227%0.272SS..Hα-helixtrans-59.1-43.7174.7-73.1-47.6000112.2Q84 T85 I91 C92 E93Q84-N89 WeakPolarHBondContact CB-OD1 3.44Å; T85-N89 PolarHBondContact O-N 2.89Å; T85-N89 PolarHBondContact O-ND2 2.98Å; N89-I91 VanDerWaalsContact C-N 3.34Å; N89-C92 PolarHBondContact O-N 3.31Å; N89-E93 WeakPolarHBondContact O-CB 3.22Å; N89-E93 PolarHBondContact O-N 3.3Å
90V91.9Very high88.8Confident44 Ų4451.5 Ų51.527%0.26728%0.281SS..Hα-helixtrans-66.3-35176.4168.10000111.8D86 D87 E88 S94 L236 K239D86-V90 WeakPolarHBondContact O-CB 3.5Å; D86-V90 VanDerWaalsContact O-CG2 3.27Å; D86-V90 WeakPolarHBondContact O-CG2 3.44Å; D86-V90 PolarHBondContact O-N 3.32Å; D87-V90 PolarHBondContact O-N 3.09Å; E88-V90 PolarHBondContact O-N 2.96Å; V90-S94 WeakPolarHBondContact O-CB 3.27Å; V90-S94 PolarHBondContact O-N 3.17Å; V90-S94 VanDerWaalsContact O-N 3.08Å; V90-L236 HydrophobicContact CG1-CD1 4.2Å; V90-K239 HydrophobicContact CB-CD 4.25Å; V90-K239 HydrophobicContact CG1-CD 3.84Å
91I92.9Very high89.6Confident28 Ų2846.2 Ų46.214%0.14425%0.254CS..Hα-helixtrans-70.1-42.6175.4-68.9162.1000110.8F77 D87 E88 N89 E93 S94 L236 K239 V240 T243F77-I91 HydrophobicContact CZ-CG2 4.24Å; D87-I91 WeakPolarHBondContact O-CB 3.35Å; D87-I91 WeakPolarHBondContact O-CD1 3.21Å; D87-I91 WeakPolarHBondContact O-CG1 3.33Å; D87-I91 PolarHBondContact O-N 3.47Å; E88-I91 PolarHBondContact O-N 2.85Å; E88-I91 VanDerWaalsContact O-N 3.16Å; N89-I91 VanDerWaalsContact C-N 3.34Å; I91-E93 PolarHBondContact O-N 3.06Å; I91-S94 WeakPolarHBondContact O-CB 3.34Å; I91-S94 PolarHBondContact O-N 2.98Å; I91-S94 PolarHBondContact O-OG 3.24Å; I91-L236 HydrophobicContact CG1-CD1 3.98Å; I91-K239 HydrophobicContact CD1-CB 4.36Å; I91-K239 HydrophobicContact CG1-CB 4.47Å; I91-V240 HydrophobicContact CD1-CG2 4.06Å; I91-V240 HydrophobicContact CG1-CG2 3.94Å; I91-T243 HydrophobicContact CD1-CG2 4.39Å; I91-T243 WeakPolarHBondContact CD1-OG1 3.39Å
92C90.9Very high90.6Very high17 Ų1746.3 Ų46.312%0.11525%0.245CC..Hα-helixtrans-59.6-44.2174.2-70.30000112.4F77 C79 Q84 E88 N89 S94F77-C92 HydrophobicContact CE1-CB 4.46Å; F77-C92 HydrophobicContact CZ-CB 4.33Å; C79-C92 VanDerWaalsContact SG-SG 3.63Å; Q84-C92 PolarHBondContact OE1-SG 3.02Å; E88-C92 PolarHBondContact O-N 3.25Å; E88-C92 PolarHBondContact O-SG 2.78Å; N89-C92 PolarHBondContact O-N 3.31Å; C92-S94 VanDerWaalsContact C-N 3.29Å; C92-S94 PolarHBondContact O-N 3.09Å
93E92.3Very high91.4Very high86 Ų8642.1 Ų42.140%0.40222%0.222SC..Hα-helixtrans-77.2-13.1-179.9-167.260.4-164.500113.2N89 I91 L95 K96 R97N89-E93 WeakPolarHBondContact O-CB 3.22Å; N89-E93 PolarHBondContact O-N 3.3Å; I91-E93 PolarHBondContact O-N 3.06Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.39Å; E93-K96 VanDerWaalsContact CD-CD 3.4Å; E93-K96 PolarHBondContact O-N 3.02Å; E93-K96 VanDerWaalsContact OE1-CD 3.25Å; E93-K96 WeakPolarHBondContact OE1-CD 3.4Å; E93-K96 WeakPolarHBondContact OE2-CD 3.3Å; E93-K96 IonicContact OE2-NZ 3.95Å; E93-K96 PolarHBondContact OE2-NZ 3.36Å; E93-R97 PolarHBondContact O-N 2.86Å
94S95.2Very high92.1Very high9 Ų944.7 Ų44.76%0.06323%0.233CC..Hα-helixtrans-63.5-30.1-175.3700000114.4V90 I91 C92 K96 R97 F98 Y232V90-S94 WeakPolarHBondContact O-CB 3.27Å; V90-S94 PolarHBondContact O-N 3.17Å; V90-S94 VanDerWaalsContact O-N 3.08Å; I91-S94 WeakPolarHBondContact O-CB 3.34Å; I91-S94 PolarHBondContact O-N 2.98Å; I91-S94 PolarHBondContact O-OG 3.24Å; C92-S94 VanDerWaalsContact C-N 3.29Å; C92-S94 PolarHBondContact O-N 3.09Å; S94-K96 PolarHBondContact O-N 3.15Å; S94-R97 WeakPolarHBondContact O-CA 3.31Å; S94-R97 WeakPolarHBondContact O-CB 3.49Å; S94-R97 PolarHBondContact O-N 3.07Å; S94-R97 VanDerWaalsContact O-N 3.12Å; S94-F98 WeakPolarHBondContact O-CD1 3.43Å; S94-F98 VanDerWaalsContact O-CG 3.31Å; S94-F98 WeakPolarHBondContact O-CG 3.27Å; S94-F98 PolarHBondContact O-N 2.79Å; S94-Y232 WeakPolarHBondContact CA-OH 3.39Å; S94-Y232 WeakPolarHBondContact CB-OH 3.47Å
95L94.8Very high92.7Very high34 Ų3444 Ų4418%0.17823%0.231CC..Hα-helixtrans-66.6-40.2-180-59.5175.2000111.4L72 F75 F77 E93 R97 F98 G99L72-L95 WeakPolarHBondContact CB-O 3.46Å; L72-L95 HydrophobicContact CD2-CB 4.48Å; L72-L95 HydrophobicContact CD2-CD2 4.13Å; L72-L95 CarbonylContact O-C 3.52Å; L72-L95 WeakPolarHBondContact O-CB 3.33Å; F75-L95 HydrophobicContact CB-CD1 4.45Å; F75-L95 HydrophobicContact CD1-CD1 3.35Å; F75-L95 HydrophobicContact CE1-CD1 3.87Å; F75-L95 HydrophobicContact CG-CD1 4.19Å; F77-L95 HydrophobicContact CD1-CD1 4.11Å; F77-L95 HydrophobicContact CE1-CD1 3.77Å; E93-L95 VanDerWaalsContact C-N 3.29Å; E93-L95 PolarHBondContact O-N 3.39Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 3.37Å; L95-F98 HydrophobicContact CD2-CD2 3.95Å; L95-F98 HydrophobicContact CD2-CE2 4.11Å; L95-F98 PolarHBondContact O-N 2.76Å; L95-G99 PolarHBondContact O-N 3.27Å
96K94.8Very high93.2Very high42 Ų4244 Ų4418%0.18323%0.23CC..Hα-helixtrans-63.2-35.8171.5-66.2150.5-171172.10112.2L72 N73 N76 E93 S94 G99 A100L72-K96 PolarHBondContact O-N 3.12Å; N73-K96 VanDerWaalsContact O-CG 3.24Å; N73-K96 WeakPolarHBondContact O-CG 3.49Å; N76-K96 WeakPolarHBondContact OD1-CE 3.45Å; N76-K96 PolarHBondContact OD1-NZ 3.07Å; E93-K96 VanDerWaalsContact CD-CD 3.4Å; E93-K96 PolarHBondContact O-N 3.02Å; E93-K96 VanDerWaalsContact OE1-CD 3.25Å; E93-K96 WeakPolarHBondContact OE1-CD 3.4Å; E93-K96 WeakPolarHBondContact OE2-CD 3.3Å; E93-K96 IonicContact OE2-NZ 3.95Å; E93-K96 PolarHBondContact OE2-NZ 3.36Å; S94-K96 PolarHBondContact O-N 3.15Å; K96-G99 PolarHBondContact O-N 2.68Å; K96-A100 PolarHBondContact O-N 3.17Å
97R93.8Very high93.6Very high147 Ų14744.1 Ų44.156%0.55523%0.231SC*.Hα-helixtrans-64.3-45.3173.3-62.5-63.6-178.9154.5-1.3111.2E93 S94 L95 G99 A100 I101 Y232E93-R97 PolarHBondContact O-N 2.86Å; S94-R97 WeakPolarHBondContact O-CA 3.31Å; S94-R97 WeakPolarHBondContact O-CB 3.49Å; S94-R97 PolarHBondContact O-N 3.07Å; S94-R97 VanDerWaalsContact O-N 3.12Å; L95-R97 VanDerWaalsContact C-N 3.29Å; L95-R97 PolarHBondContact O-N 3.37Å; R97-G99 VanDerWaalsContact C-N 3.32Å; R97-G99 PolarHBondContact O-N 3.08Å; R97-A100 PolarHBondContact O-N 2.94Å; R97-I101 VanDerWaalsContact O-CG1 3.23Å; R97-I101 WeakPolarHBondContact O-CG1 3.4Å; R97-I101 PolarHBondContact O-N 3.42Å; R97-Y232 HydrophobicContact CB-CE1 3.85Å; R97-Y232 HydrophobicContact CG-CE1 4.32Å
98F96.1Very high93.7Very high61 Ų6145.5 Ų45.527%0.26824%0.236SC..Hα-helixtrans-60.5-41.6173.4-56.3-25.1000112L72 S94 L95 I101 I102 L233 L236L72-F98 HydrophobicContact CD1-CB 4.21Å; S94-F98 WeakPolarHBondContact O-CD1 3.43Å; S94-F98 VanDerWaalsContact O-CG 3.31Å; S94-F98 WeakPolarHBondContact O-CG 3.27Å; S94-F98 PolarHBondContact O-N 2.79Å; L95-F98 HydrophobicContact CD2-CD2 3.95Å; L95-F98 HydrophobicContact CD2-CE2 4.11Å; L95-F98 PolarHBondContact O-N 2.76Å; F98-I101 PolarHBondContact O-N 3.35Å; F98-I102 VanDerWaalsContact O-CG1 3.32Å; F98-I102 WeakPolarHBondContact O-CG1 3.39Å; F98-I102 PolarHBondContact O-N 2.92Å; F98-L233 HydrophobicContact CD1-CD2 4.35Å; F98-L233 HydrophobicContact CE1-CD2 3.74Å; F98-L236 HydrophobicContact CE1-CD2 3.72Å; F98-L236 HydrophobicContact CZ-CD2 3.49Å; F98-L236 VanDerWaalsContact CZ-CD2 3.49Å
99G96.2Very high93.9Very high5 Ų545.8 Ų45.85%0.05224%0.237CC..Hα-helixtrans-57.9-48.1173.900000112.7A69 L95 K96 R97 I101 I102 G103A69-G99 WeakPolarHBondContact CB-O 3.39Å; L95-G99 PolarHBondContact O-N 3.27Å; K96-G99 PolarHBondContact O-N 2.68Å; R97-G99 VanDerWaalsContact C-N 3.32Å; R97-G99 PolarHBondContact O-N 3.08Å; G99-I101 PolarHBondContact O-N 3.49Å; G99-I102 PolarHBondContact O-N 2.84Å; G99-G103 PolarHBondContact O-N 3.19Å
100A95.1Very high94Very high50 Ų5046.8 Ų46.841%0.41324%0.239SC..Hα-helixtrans-60.8-42.4176.500000112.9K96 R97 G103 N104K96-A100 PolarHBondContact O-N 3.17Å; R97-A100 PolarHBondContact O-N 2.94Å; A100-G103 PolarHBondContact O-N 3Å; A100-N104 PolarHBondContact O-N 3.42Å; A100-N104 PolarHBondContact O-OD1 2.67Å
101I95.1Very high93.8Very high28 Ų2849.7 Ų49.714%0.14425%0.248CC..Hα-helixtrans-62.8-47.7178.6-64.1170.3000111R97 F98 G99 G103 N104 I105 H229R97-I101 VanDerWaalsContact O-CG1 3.23Å; R97-I101 WeakPolarHBondContact O-CG1 3.4Å; R97-I101 PolarHBondContact O-N 3.42Å; F98-I101 PolarHBondContact O-N 3.35Å; G99-I101 PolarHBondContact O-N 3.49Å; I101-G103 VanDerWaalsContact C-N 3.31Å; I101-G103 PolarHBondContact O-N 2.67Å; I101-N104 PolarHBondContact O-N 3.39Å; I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.33Å; I101-I105 PolarHBondContact O-N 2.89Å; I101-H229 HydrophobicContact CD1-CB 3.99Å; I101-H229 VanDerWaalsContact CG1-CD2 3.43Å; I101-H229 WeakPolarHBondContact CG1-CD2 3.32Å
102I96.3Very high93.7Very high41 Ų4149.4 Ų49.421%0.2125%0.246CC..Hα-helixtrans-64.2-39.2177.8-64.7165.5000110.5M65 L68 A69 L72 F98 G99 E106M65-I102 HydrophobicContact CB-CG2 4.01Å; M65-I102 WeakPolarHBondContact O-CG2 3.32Å; L68-I102 HydrophobicContact CD2-CD1 4.36Å; A69-I102 HydrophobicContact CB-CB 4.18Å; A69-I102 HydrophobicContact CB-CG2 4.06Å; L72-I102 HydrophobicContact CD1-CD1 3.79Å; F98-I102 VanDerWaalsContact O-CG1 3.32Å; F98-I102 WeakPolarHBondContact O-CG1 3.39Å; F98-I102 PolarHBondContact O-N 2.92Å; G99-I102 PolarHBondContact O-N 2.84Å; I102-E106 HydrophobicContact CG2-CG 4.49Å; I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 3.02Å; I102-E106 VanDerWaalsContact O-N 3.12Å
103G95.4Very high93.7Very high18 Ų1848.9 Ų48.919%0.18624%0.242CC..Hα-helixtrans-58.2-53175.200000112.7G99 A100 I101 I105 E106 D107G99-G103 PolarHBondContact O-N 3.19Å; A100-G103 PolarHBondContact O-N 3Å; I101-G103 VanDerWaalsContact C-N 3.31Å; I101-G103 PolarHBondContact O-N 2.67Å; G103-I105 VanDerWaalsContact C-N 3.35Å; G103-I105 PolarHBondContact O-N 3.11Å; G103-E106 PolarHBondContact O-N 3.45Å; G103-D107 PolarHBondContact O-N 3.41Å
104N93.8Very high93.4Very high79 Ų7948.7 Ų48.742%0.42225%0.247SC..Hα-helixtrans-55.7-46.6179.6-72.42.8000112.6A100 I101 D107 E108 Q225A100-N104 PolarHBondContact O-N 3.42Å; A100-N104 PolarHBondContact O-OD1 2.67Å; I101-N104 PolarHBondContact O-N 3.39Å; N104-D107 PolarHBondContact O-N 3.34Å; N104-E108 PolarHBondContact O-N 2.98Å; N104-Q225 PolarHBondContact ND2-OE1 2.98Å
105I95.6Very high92.9Very high38 Ų3853.1 Ų53.120%0.19527%0.269CS..Hα-helixtrans-65.6-40.5-178.4-66.6169.5000110.8I101 G103 E108 R109 F218 A222 Q225I101-I105 HydrophobicContact CG2-CD1 4.1Å; I101-I105 WeakPolarHBondContact O-CG1 3.33Å; I101-I105 PolarHBondContact O-N 2.89Å; G103-I105 VanDerWaalsContact C-N 3.35Å; G103-I105 PolarHBondContact O-N 3.11Å; I105-E108 PolarHBondContact O-N 3.35Å; I105-R109 PolarHBondContact O-N 3.14Å; I105-R109 VanDerWaalsContact O-N 3.14Å; I105-F218 HydrophobicContact CG2-CE2 4.27Å; I105-F218 HydrophobicContact CG2-CZ 4.43Å; I105-A222 HydrophobicContact CG2-CB 4.11Å; I105-Q225 HydrophobicContact CD1-CB 4.34Å; I105-Q225 HydrophobicContact CG1-CB 4.02Å; I105-Q225 HydrophobicContact CG1-CG 4.42Å
106E95.1Very high92.5Very high4 Ų452 Ų522%0.01927%0.265CS..Hα-helixtrans-80-22.5-179.2-69-63.5158.900114.1S62 M65 K66 I102 G103 E108 R109 E110S62-E106 WeakPolarHBondContact CA-OE2 3.35Å; S62-E106 WeakPolarHBondContact CB-OE2 3.27Å; S62-E106 PolarHBondContact OG-OE2 3.23Å; M65-E106 HydrophobicContact CB-CG 3.53Å; M65-E106 HydrophobicContact CG-CG 4.31Å; K66-E106 HydrophobicContact CD-CB 4.36Å; K66-E106 VanDerWaalsContact CE-O 3.27Å; K66-E106 WeakPolarHBondContact CE-O 3.2Å; K66-E106 HydrophobicContact CG-CB 3.8Å; K66-E106 PolarHBondContact NZ-O 2.92Å; I102-E106 HydrophobicContact CG2-CG 4.49Å; I102-E106 WeakPolarHBondContact O-CB 3.5Å; I102-E106 WeakPolarHBondContact O-CG 3.47Å; I102-E106 PolarHBondContact O-N 3.02Å; I102-E106 VanDerWaalsContact O-N 3.12Å; G103-E106 PolarHBondContact O-N 3.45Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E106-R109 VanDerWaalsContact CD-NE 3.29Å; E106-R109 PolarHBondContact O-N 3.39Å; E106-R109 IonicContact OE1-CZ 3.61Å; E106-R109 VanDerWaalsContact OE1-CZ 3.28Å; E106-R109 IonicContact OE1-NE 2.65Å; E106-R109 PolarHBondContact OE1-NE 2.71Å; E106-R109 IonicContact OE1-NH2 3.67Å; E106-R109 PolarHBondContact OE1-NH2 3.23Å; E106-R109 WeakPolarHBondContact OE2-CB 3.47Å; E106-R109 WeakPolarHBondContact OE2-CD 3.4Å; E106-R109 IonicContact OE2-CZ 3.91Å; E106-R109 IonicContact OE2-NE 2.71Å; E106-R109 PolarHBondContact OE2-NE 2.72Å; E106-R109 IonicContact OE2-NH2 2.82Å; E106-E110 WeakPolarHBondContact O-CB 3.48Å; E106-E110 PolarHBondContact O-N 3.07Å
107D92.7Very high91.9Very high76 Ų7652.8 Ų52.841%0.40627%0.271SS..Hα-helixtrans-62.5-38.1165.5-81.5-2.1000111.2K66 G103 N104 E110 K111K66-D107 IonicContact NZ-OD1 3.23Å; K66-D107 PolarHBondContact NZ-OD1 2.88Å; G103-D107 PolarHBondContact O-N 3.41Å; N104-D107 PolarHBondContact O-N 3.34Å; D107-E110 PolarHBondContact O-N 3.12Å; D107-K111 VanDerWaalsContact O-CE 3.28Å; D107-K111 WeakPolarHBondContact O-CE 3.49Å; D107-K111 WeakPolarHBondContact O-CG 3.43Å; D107-K111 PolarHBondContact O-N 3.04Å; D107-K111 VanDerWaalsContact O-N 3.14Å
108E91.5Very high91.3Very high51 Ų5152 Ų5224%0.23827%0.272CS..Hα-helixtrans-71-38.1173.8-158.757.3-128.200112.3N104 I105 E106 E110 K111 M112 F218 T221N104-E108 PolarHBondContact O-N 2.98Å; I105-E108 PolarHBondContact O-N 3.35Å; E106-E108 VanDerWaalsContact C-N 3.3Å; E108-E110 VanDerWaalsContact C-N 3.3Å; E108-E110 PolarHBondContact O-N 3.38Å; E108-K111 PolarHBondContact O-N 2.61Å; E108-K111 IonicContact OE2-NZ 3.9Å; E108-K111 PolarHBondContact OE2-NZ 3.4Å; E108-M112 PolarHBondContact O-N 2.97Å; E108-F218 HydrophobicContact CB-CD2 4.4Å; E108-T221 HydrophobicContact CG-CG2 4.15Å
109R93.6Very high90.9Very high27 Ų2754 Ų5410%0.10228%0.282CS..Hα-helixtrans-60.2-40.5173-155.7-161.2-61.7-87.12.1111.6I105 E106 M112 L113 F218I105-R109 PolarHBondContact O-N 3.14Å; I105-R109 VanDerWaalsContact O-N 3.14Å; E106-R109 VanDerWaalsContact CD-NE 3.29Å; E106-R109 PolarHBondContact O-N 3.39Å; E106-R109 IonicContact OE1-CZ 3.61Å; E106-R109 VanDerWaalsContact OE1-CZ 3.28Å; E106-R109 IonicContact OE1-NE 2.65Å; E106-R109 PolarHBondContact OE1-NE 2.71Å; E106-R109 IonicContact OE1-NH2 3.67Å; E106-R109 PolarHBondContact OE1-NH2 3.23Å; E106-R109 WeakPolarHBondContact OE2-CB 3.47Å; E106-R109 WeakPolarHBondContact OE2-CD 3.4Å; E106-R109 IonicContact OE2-CZ 3.91Å; E106-R109 IonicContact OE2-NE 2.71Å; E106-R109 PolarHBondContact OE2-NE 2.72Å; E106-R109 IonicContact OE2-NH2 2.82Å; R109-M112 HydrophobicContact CG-CE 4.04Å; R109-M112 PolarHBondContact O-N 2.86Å; R109-L113 HydrophobicContact CG-CD1 3.92Å; R109-L113 HydrophobicContact CG-CG 4.45Å; R109-L113 WeakPolarHBondContact O-CB 3.18Å; R109-L113 WeakPolarHBondContact O-CD1 3.33Å; R109-L113 VanDerWaalsContact O-CG 3.22Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 3.33Å; R109-F218 HydrophobicContact CB-CD2 4.09Å; R109-F218 HydrophobicContact CB-CE2 3.58Å; R109-F218 HydrophobicContact CB-CZ 4.11Å; R109-F218 HydrophobicContact CG-CD2 4.36Å; R109-F218 HydrophobicContact CG-CE2 3.93Å; R109-F218 HydrophobicContact CG-CZ 4.03Å
110E91.7Very high90.7Very high98 Ų9854 Ų5446%0.45828%0.281SS..Hα-helixtrans-67.2-39.8178.3-174.9165.1-151.700112.6K66 E106 D107 E108 M112 L113 T114K66-E110 IonicContact NZ-OE2 2.79Å; K66-E110 PolarHBondContact NZ-OE2 3.24Å; E106-E110 WeakPolarHBondContact O-CB 3.48Å; E106-E110 PolarHBondContact O-N 3.07Å; D107-E110 PolarHBondContact O-N 3.12Å; E108-E110 VanDerWaalsContact C-N 3.3Å; E108-E110 PolarHBondContact O-N 3.38Å; E110-M112 PolarHBondContact O-N 3.01Å; E110-L113 PolarHBondContact O-N 3.25Å; E110-T114 HydrophobicContact CG-CG2 4.27Å; E110-T114 WeakPolarHBondContact O-CB 3.34Å; E110-T114 WeakPolarHBondContact O-CG2 3.46Å; E110-T114 PolarHBondContact O-N 2.97Å; E110-T114 PolarHBondContact O-OG1 3.04Å
111K88.1Confident90.6Very high104 Ų10452.4 Ų52.445%0.45227%0.265SS..Hα-helixtrans-58.5-47.5172.2-68.8167.9-137.1161.10111.5D107 E108 T114 L115D107-K111 VanDerWaalsContact O-CE 3.28Å; D107-K111 WeakPolarHBondContact O-CE 3.49Å; D107-K111 WeakPolarHBondContact O-CG 3.43Å; D107-K111 PolarHBondContact O-N 3.04Å; D107-K111 VanDerWaalsContact O-N 3.14Å; E108-K111 PolarHBondContact O-N 2.61Å; E108-K111 IonicContact OE2-NZ 3.9Å; E108-K111 PolarHBondContact OE2-NZ 3.4Å; K111-T114 PolarHBondContact O-OG1 3.41Å; K111-T114 VanDerWaalsContact O-OG1 3.05Å; K111-L115 WeakPolarHBondContact O-CG 3.36Å; K111-L115 PolarHBondContact O-N 2.8Å
112M90.4Very high90.5Very high22 Ų2256.5 Ų56.511%0.10828%0.283CS..Hα-helixtrans-60.5-46175.8-179.7-165.766.900112E108 R109 E110 L115 A116 W215 F218E108-M112 PolarHBondContact O-N 2.97Å; R109-M112 HydrophobicContact CG-CE 4.04Å; R109-M112 PolarHBondContact O-N 2.86Å; E110-M112 PolarHBondContact O-N 3.01Å; M112-L115 PolarHBondContact O-N 2.96Å; M112-A116 WeakPolarHBondContact O-CB 3.32Å; M112-A116 PolarHBondContact O-N 3.31Å; M112-W215 HydrophobicContact CE-CD2 3.88Å; M112-W215 HydrophobicContact CE-CE3 3.71Å; M112-W215 HydrophobicContact CE-CH2 3.74Å; M112-W215 HydrophobicContact CE-CZ2 3.88Å; M112-W215 HydrophobicContact CE-CZ3 3.65Å; M112-W215 HydrophobicContact SD-CB 4.47Å; M112-W215 HydrophobicContact SD-CD2 3.78Å; M112-W215 HydrophobicContact SD-CE3 3.93Å; M112-W215 HydrophobicContact SD-CG 4.04Å; M112-W215 HydrophobicContact SD-CZ3 4.48Å; M112-F218 HydrophobicContact CE-CG 4.39Å; M112-F218 HydrophobicContact SD-CB 3.62Å; M112-F218 HydrophobicContact SD-CD1 4.49Å; M112-F218 HydrophobicContact SD-CG 4.12Å
113L90.9Very high90.4Very high6 Ų656.3 Ų56.33%0.03129%0.286CS..Hα-helixtrans-70.4-34.2-176.2-72.3167.5000113.5M55 A58 K59 R109 E110 A116M55-L113 WeakPolarHBondContact CE-O 3.34Å; M55-L113 HydrophobicContact CG-CD2 4.26Å; A58-L113 HydrophobicContact CB-CD1 3.94Å; A58-L113 HydrophobicContact CB-CD2 3.66Å; A58-L113 HydrophobicContact CB-CG 4.42Å; K59-L113 HydrophobicContact CG-CB 4.46Å; K59-L113 HydrophobicContact CG-CD1 4.04Å; R109-L113 HydrophobicContact CG-CD1 3.92Å; R109-L113 HydrophobicContact CG-CG 4.45Å; R109-L113 WeakPolarHBondContact O-CB 3.18Å; R109-L113 WeakPolarHBondContact O-CD1 3.33Å; R109-L113 VanDerWaalsContact O-CG 3.22Å; R109-L113 WeakPolarHBondContact O-CG 3.49Å; R109-L113 PolarHBondContact O-N 3.33Å; E110-L113 PolarHBondContact O-N 3.25Å; L113-A116 PolarHBondContact O-N 3.18Å
114T86Confident90.4Very high83 Ų8355.4 Ų55.451%0.50928%0.277SS..Hα-helixtrans-72.1-34.4176.148.70000112.4E110 K111E110-T114 HydrophobicContact CG-CG2 4.27Å; E110-T114 WeakPolarHBondContact O-CB 3.34Å; E110-T114 WeakPolarHBondContact O-CG2 3.46Å; E110-T114 PolarHBondContact O-N 2.97Å; E110-T114 PolarHBondContact O-OG1 3.04Å; K111-T114 PolarHBondContact O-OG1 3.41Å; K111-T114 VanDerWaalsContact O-OG1 3.05Å
115L84.7Confident90.6Very high101 Ų10154 Ų5453%0.52927%0.267SS..Hα-helixtrans-68.2-36.5170.9-69.7172000112.2K111 M112 D117 K118 H119K111-L115 WeakPolarHBondContact O-CG 3.36Å; K111-L115 PolarHBondContact O-N 2.8Å; M112-L115 PolarHBondContact O-N 2.96Å; L115-D117 PolarHBondContact O-N 3.04Å; L115-K118 PolarHBondContact O-N 3.42Å; L115-H119 WeakPolarHBondContact O-CB 3.41Å; L115-H119 PolarHBondContact O-CD2 3.44Å; L115-H119 VanDerWaalsContact O-CD2 3.32Å; L115-H119 PolarHBondContact O-N 3.45Å
116A85.9Confident90.6Very high10 Ų1055.1 Ų55.18%0.08327%0.274CS..Hα-helixtrans-67-31.5-173.200000114.6M55 M112 L113 K118 I120 I121M55-A116 HydrophobicContact CE-CB 3.55Å; M55-A116 HydrophobicContact SD-CB 3.64Å; M112-A116 WeakPolarHBondContact O-CB 3.32Å; M112-A116 PolarHBondContact O-N 3.31Å; L113-A116 PolarHBondContact O-N 3.18Å; A116-K118 PolarHBondContact O-N 3.37Å; A116-I120 HydrophobicContact CB-CG1 4.32Å; A116-I120 WeakPolarHBondContact O-CA 3.26Å; A116-I120 VanDerWaalsContact O-CB 3.27Å; A116-I120 WeakPolarHBondContact O-CB 3.17Å; A116-I120 PolarHBondContact O-N 3.39Å; A116-I121 PolarHBondContact O-N 2.93Å
117D82.8Confident90.6Very high60 Ų6055.1 Ų55.132%0.32127%0.274SS..Iπ-helixtrans-60.6-49.9178.1-70.8-47.5000110.1M55 K59 L115 I121 E122M55-D117 HydrophobicContact CE-CB 4.4Å; M55-D117 WeakPolarHBondContact CE-OD1 3.33Å; K59-D117 IonicContact NZ-OD1 2.77Å; K59-D117 PolarHBondContact NZ-OD1 3.32Å; K59-D117 IonicContact NZ-OD2 2.72Å; K59-D117 PolarHBondContact NZ-OD2 2.9Å; L115-D117 PolarHBondContact O-N 3.04Å; D117-I121 WeakPolarHBondContact O-CB 3.47Å; D117-I121 PolarHBondContact O-N 3.3Å; D117-E122 PolarHBondContact O-N 3.33Å
118K80.7Confident90.8Very high131 Ų13154.4 Ų54.457%0.5727%0.266SS*.Iπ-helixtrans-74.9-50.2-179.2-177.1175.6-174.8179.70112.6L115 A116 I120 E122L115-K118 PolarHBondContact O-N 3.42Å; A116-K118 PolarHBondContact O-N 3.37Å; K118-I120 PolarHBondContact O-N 3.37Å; K118-E122 WeakPolarHBondContact O-CB 3.43Å
119H87.2Confident91Very high101 Ų10157.2 Ų57.247%0.46828%0.277SS..Iπ-helixtrans-78.8-22.1-170.3-71.8-74.6000113.4L115 S123L115-H119 WeakPolarHBondContact O-CB 3.41Å; L115-H119 PolarHBondContact O-CD2 3.44Å; L115-H119 VanDerWaalsContact O-CD2 3.32Å; L115-H119 PolarHBondContact O-N 3.45Å; H119-S123 VanDerWaalsContact O-CB 3.24Å; H119-S123 WeakPolarHBondContact O-CB 3.41Å; H119-S123 PolarHBondContact O-OG 3.19Å
120I91.6Very high91Very high6 Ų661.8 Ų61.83%0.03130%0.298CS..Iπ-helixtrans-115.8-56.5-176.1-44.3-57.5000111.5V51 A116 K118 L124 I207 A210 F211V51-I120 HydrophobicContact CG1-CG2 4.34Å; A116-I120 HydrophobicContact CB-CG1 4.32Å; A116-I120 WeakPolarHBondContact O-CA 3.26Å; A116-I120 VanDerWaalsContact O-CB 3.27Å; A116-I120 WeakPolarHBondContact O-CB 3.17Å; A116-I120 PolarHBondContact O-N 3.39Å; K118-I120 PolarHBondContact O-N 3.37Å; I120-L124 HydrophobicContact CG2-CD1 4.1Å; I120-L124 WeakPolarHBondContact O-CB 3.35Å; I120-L124 VanDerWaalsContact O-CG 3.25Å; I120-L124 WeakPolarHBondContact O-CG 3.35Å; I120-L124 PolarHBondContact O-N 2.88Å; I120-I207 HydrophobicContact CD1-CG2 4.42Å; I120-I207 WeakPolarHBondContact CD1-O 3.49Å; I120-I207 HydrophobicContact CG2-CG2 4.24Å; I120-A210 HydrophobicContact CD1-CB 4.07Å; I120-F211 HydrophobicContact CB-CD2 4.44Å; I120-F211 HydrophobicContact CD1-CB 3.73Å; I120-F211 HydrophobicContact CG1-CB 3.95Å; I120-F211 HydrophobicContact CG1-CD2 3.89Å; I120-F211 HydrophobicContact CG1-CG 4.31Å; I120-F211 HydrophobicContact CG2-CB 3.96Å; I120-F211 HydrophobicContact CG2-CD2 4.12Å; I120-F211 HydrophobicContact CG2-CG 4.08Å
121I92.8Very high91.2Very high16 Ų1658.3 Ų58.38%0.08228%0.282CS..Iπ-helixtrans-67.9-51.1-175.5-71.6165.4000111.3V51 K52 M55 A116 D117 L124 E125V51-I121 HydrophobicContact CG1-CD1 4.43Å; V51-I121 HydrophobicContact CG1-CG1 3.97Å; K52-I121 HydrophobicContact CG-CD1 3.64Å; K52-I121 HydrophobicContact CG-CG1 4.14Å; K52-I121 HydrophobicContact CG-CG2 4.46Å; M55-I121 HydrophobicContact CE-CD1 4.02Å; M55-I121 HydrophobicContact SD-CD1 3.5Å; M55-I121 WeakPolarHBondContact SD-CD1 3.28Å; M55-I121 HydrophobicContact SD-CG1 4.19Å; A116-I121 PolarHBondContact O-N 2.93Å; D117-I121 WeakPolarHBondContact O-CB 3.47Å; D117-I121 PolarHBondContact O-N 3.3Å; I121-L124 PolarHBondContact O-N 2.73Å; I121-E125 WeakPolarHBondContact O-CB 3.2Å; I121-E125 PolarHBondContact O-N 2.99Å
122E93.5Very high91.5Very high114 Ų11453.5 Ų53.553%0.53326%0.261SS..Iπ-helixtrans-62-44.6177.2-64.6-176.8164.100110.9D117 K118 L124 E125 D126D117-E122 PolarHBondContact O-N 3.33Å; K118-E122 WeakPolarHBondContact O-CB 3.43Å; E122-L124 PolarHBondContact O-N 2.75Å; E122-E125 PolarHBondContact O-N 3.24Å; E122-D126 WeakPolarHBondContact O-CB 3.01Å; E122-D126 PolarHBondContact O-N 3.24Å
123S95.3Very high91.6Very high37 Ų3753.9 Ų53.926%0.25927%0.27SS..Hα-helixtrans-59.2-45.2177.6-55.60000113.7H119 D126 F127H119-S123 VanDerWaalsContact O-CB 3.24Å; H119-S123 WeakPolarHBondContact O-CB 3.41Å; H119-S123 PolarHBondContact O-OG 3.19Å; S123-D126 PolarHBondContact O-N 3.3Å; S123-F127 WeakPolarHBondContact O-CB 3.5Å; S123-F127 PolarHBondContact O-N 3.06Å
124L95.8Very high91.7Very high0 Ų054.7 Ų54.70%028%0.28CS..Hα-helixtrans-67.1-38.9176.6-72.9177.9000111.8I47 I48 I120 I121 E122 R128 F204 I207 L208I47-L124 HydrophobicContact CG2-CD1 4.25Å; I48-L124 HydrophobicContact CD1-CB 3.92Å; I48-L124 HydrophobicContact CG1-CB 3.63Å; I48-L124 HydrophobicContact CG1-CD1 4.09Å; I120-L124 HydrophobicContact CG2-CD1 4.1Å; I120-L124 WeakPolarHBondContact O-CB 3.35Å; I120-L124 VanDerWaalsContact O-CG 3.25Å; I120-L124 WeakPolarHBondContact O-CG 3.35Å; I120-L124 PolarHBondContact O-N 2.88Å; I121-L124 PolarHBondContact O-N 2.73Å; E122-L124 PolarHBondContact O-N 2.75Å; L124-R128 VanDerWaalsContact O-CB 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.44Å; L124-R128 PolarHBondContact O-N 2.72Å; L124-F204 HydrophobicContact CD2-CD2 3.81Å; L124-F204 HydrophobicContact CD2-CE2 3.75Å; L124-I207 HydrophobicContact CD2-CB 4.28Å; L124-I207 HydrophobicContact CD2-CD1 4.49Å; L124-I207 HydrophobicContact CD2-CG2 3.77Å; L124-I207 HydrophobicContact CG-CG2 3.76Å; L124-L208 HydrophobicContact CD1-CD2 4.33Å; L124-L208 HydrophobicContact CD2-CD2 4.32Å
125E96.2Very high92.2Very high48 Ų4851.1 Ų51.122%0.22426%0.258CS..Hα-helixtrans-66.2-41.2174.7-82.6-162.9-153.300112.2I48 K52 I121 E122 R128 K129I48-E125 HydrophobicContact CD1-CG 3.94Å; I48-E125 HydrophobicContact CG2-CG 4.12Å; K52-E125 IonicContact NZ-OE1 3.07Å; K52-E125 PolarHBondContact NZ-OE1 2.71Å; I121-E125 WeakPolarHBondContact O-CB 3.2Å; I121-E125 PolarHBondContact O-N 2.99Å; E122-E125 PolarHBondContact O-N 3.24Å; E125-R128 PolarHBondContact O-N 3.15Å; E125-K129 VanDerWaalsContact O-CB 3.28Å; E125-K129 WeakPolarHBondContact O-CB 3.37Å; E125-K129 WeakPolarHBondContact O-CD 3.43Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 3.03Å; E125-K129 VanDerWaalsContact OE2-CE 3.27Å; E125-K129 WeakPolarHBondContact OE2-CE 3.26Å; E125-K129 IonicContact OE2-NZ 3.69Å; E125-K129 PolarHBondContact OE2-NZ 3Å
126D95.6Very high92.6Very high63 Ų6351.2 Ų51.234%0.33725%0.254SS..Hα-helixtrans-66.9-45.3176.3-97.7-7.1000111.8E122 S123 R128 K129 K130E122-D126 WeakPolarHBondContact O-CB 3.01Å; E122-D126 PolarHBondContact O-N 3.24Å; S123-D126 PolarHBondContact O-N 3.3Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 2.77Å; D126-K129 PolarHBondContact O-N 2.97Å; D126-K130 HydrophobicContact CB-CD 4.07Å; D126-K130 VanDerWaalsContact CG-CE 3.44Å; D126-K130 WeakPolarHBondContact O-CA 3.42Å; D126-K130 WeakPolarHBondContact O-CB 3.19Å; D126-K130 WeakPolarHBondContact O-CG 3.33Å; D126-K130 PolarHBondContact O-N 2.93Å; D126-K130 WeakPolarHBondContact OD1-CE 3.35Å; D126-K130 IonicContact OD1-NZ 3.2Å; D126-K130 PolarHBondContact OD1-NZ 3.49Å; D126-K130 IonicContact OD2-NZ 3.67Å; D126-K130 PolarHBondContact OD2-NZ 3.31Å
127F95.9Very high92.9Very high3 Ų355.1 Ų55.11%0.01327%0.27CS..Iπ-helixtrans-54.5-49.3173.7-175-92.6000110.7I44 S123 Q131 I132 R199 I200 E203 F204 I207I44-F127 HydrophobicContact CD1-CD1 3.93Å; I44-F127 HydrophobicContact CD1-CE1 3.95Å; S123-F127 WeakPolarHBondContact O-CB 3.5Å; S123-F127 PolarHBondContact O-N 3.06Å; F127-Q131 HydrophobicContact CD2-CB 4.27Å; F127-Q131 HydrophobicContact CD2-CG 3.71Å; F127-Q131 HydrophobicContact CE2-CB 4.19Å; F127-Q131 HydrophobicContact CE2-CG 3.88Å; F127-Q131 HydrophobicContact CG-CG 4.32Å; F127-Q131 HydrophobicContact CZ-CB 4.46Å; F127-Q131 WeakPolarHBondContact O-CA 3.29Å; F127-Q131 WeakPolarHBondContact O-CB 3.36Å; F127-Q131 PolarHBondContact O-N 2.83Å; F127-I132 HydrophobicContact CD1-CD1 4.46Å; F127-I132 HydrophobicContact CE1-CD1 4.05Å; F127-I132 HydrophobicContact CE1-CG1 4.21Å; F127-I132 PolarHBondContact O-N 3.36Å; F127-R199 HydrophobicContact CE2-CB 4.06Å; F127-R199 HydrophobicContact CZ-CB 4.41Å; F127-I200 HydrophobicContact CE1-CG1 4Å; F127-I200 HydrophobicContact CZ-CB 4.45Å; F127-I200 HydrophobicContact CZ-CG1 3.74Å; F127-E203 HydrophobicContact CD2-CB 4.25Å; F127-E203 HydrophobicContact CD2-CG 3.84Å; F127-E203 WeakPolarHBondContact CD2-OE1 3.39Å; F127-E203 HydrophobicContact CE2-CB 3.93Å; F127-E203 HydrophobicContact CE2-CG 4Å; F127-F204 HydrophobicContact CD1-CB 4.2Å; F127-F204 HydrophobicContact CD1-CD2 4.36Å; F127-F204 HydrophobicContact CD2-CB 4.45Å; F127-F204 HydrophobicContact CE1-CB 3.83Å; F127-F204 HydrophobicContact CE1-CG 4.39Å; F127-F204 HydrophobicContact CE2-CB 4.1Å; F127-F204 HydrophobicContact CZ-CB 3.79Å; F127-I207 HydrophobicContact CB-CD1 4.36Å
128R96.4Very high93.5Very high62 Ų6253.9 Ų53.923%0.23426%0.264CS..Iπ-helixtrans-64.4-41.6179.2-171.8-177.1172.1-77.8-18113.2S41 I44 L124 E125 D126 G133S41-R128 PolarHBondContact O-NE 2.99Å; S41-R128 PolarHBondContact OG-NE 2.71Å; S41-R128 PolarHBondContact OG-NH2 3.36Å; I44-R128 HydrophobicContact CG2-CB 4.04Å; I44-R128 HydrophobicContact CG2-CG 4.35Å; L124-R128 VanDerWaalsContact O-CB 3.29Å; L124-R128 WeakPolarHBondContact O-CB 3.44Å; L124-R128 PolarHBondContact O-N 2.72Å; E125-R128 PolarHBondContact O-N 3.15Å; D126-R128 VanDerWaalsContact C-N 3.29Å; D126-R128 PolarHBondContact O-N 2.77Å; R128-G133 PolarHBondContact O-N 2.94Å
129K95.2Very high94.2Very high110 Ų11050.4 Ų50.448%0.47825%0.249SC..Iπ-helixtrans-79.7-46.5-176.9-69.5164.8-167.3168.30112.8E125 D126 G133 G134E125-K129 VanDerWaalsContact O-CB 3.28Å; E125-K129 WeakPolarHBondContact O-CB 3.37Å; E125-K129 WeakPolarHBondContact O-CD 3.43Å; E125-K129 WeakPolarHBondContact O-CG 3.44Å; E125-K129 PolarHBondContact O-N 3.03Å; E125-K129 VanDerWaalsContact OE2-CE 3.27Å; E125-K129 WeakPolarHBondContact OE2-CE 3.26Å; E125-K129 IonicContact OE2-NZ 3.69Å; E125-K129 PolarHBondContact OE2-NZ 3Å; D126-K129 PolarHBondContact O-N 2.97Å; K129-G133 CarbonylContact O-C 3.56Å; K129-G133 WeakPolarHBondContact O-CA 3.29Å; K129-G133 PolarHBondContact O-N 2.94Å; K129-G134 PolarHBondContact O-N 3.4Å
130K95Very high94.7Very high123 Ų12351.2 Ų51.254%0.53525%0.251SS..Iπ-helixtrans-88.4-44.4-171.4-60.3173.9174.4168.90112D126 G134 R192D126-K130 HydrophobicContact CB-CD 4.07Å; D126-K130 VanDerWaalsContact CG-CE 3.44Å; D126-K130 WeakPolarHBondContact O-CA 3.42Å; D126-K130 WeakPolarHBondContact O-CB 3.19Å; D126-K130 WeakPolarHBondContact O-CG 3.33Å; D126-K130 PolarHBondContact O-N 2.93Å; D126-K130 WeakPolarHBondContact OD1-CE 3.35Å; D126-K130 IonicContact OD1-NZ 3.2Å; D126-K130 PolarHBondContact OD1-NZ 3.49Å; D126-K130 IonicContact OD2-NZ 3.67Å; D126-K130 PolarHBondContact OD2-NZ 3.31Å; K130-G134 PolarHBondContact O-N 3.17Å; K130-R192 PolarHBondContact O-NH2 3.23Å
131Q94.8Very high94.9Very high25 Ų2555.1 Ų55.112%0.11727%0.268CS..Iπ-helixtrans-76.2-72.3177.3-47.5-60.910.900110.3F127 G134 V196 E203F127-Q131 HydrophobicContact CD2-CB 4.27Å; F127-Q131 HydrophobicContact CD2-CG 3.71Å; F127-Q131 HydrophobicContact CE2-CB 4.19Å; F127-Q131 HydrophobicContact CE2-CG 3.88Å; F127-Q131 HydrophobicContact CG-CG 4.32Å; F127-Q131 HydrophobicContact CZ-CB 4.46Å; F127-Q131 WeakPolarHBondContact O-CA 3.29Å; F127-Q131 WeakPolarHBondContact O-CB 3.36Å; F127-Q131 PolarHBondContact O-N 2.83Å; Q131-G134 PolarHBondContact O-N 2.83Å; Q131-V196 HydrophobicContact CB-CG1 4.48Å; Q131-V196 HydrophobicContact CB-CG2 4.27Å; Q131-E203 PolarHBondContact NE2-OE1 2.98Å; Q131-E203 PolarHBondContact NE2-OE2 2.91Å
132I94.9Very high95Very high3 Ų354.4 Ų54.42%0.01526%0.264CS..Iπ-helixtrans-68.7-44.2-175.4-49.9175.4000111.8L37 T40 I44 F127 G134 V135 V196L37-I132 HydrophobicContact CB-CG2 4.26Å; T40-I132 HydrophobicContact CG2-CD1 3.93Å; I44-I132 HydrophobicContact CD1-CD1 3.84Å; F127-I132 HydrophobicContact CD1-CD1 4.46Å; F127-I132 HydrophobicContact CE1-CD1 4.05Å; F127-I132 HydrophobicContact CE1-CG1 4.21Å; F127-I132 PolarHBondContact O-N 3.36Å; I132-G134 VanDerWaalsContact C-N 3.3Å; I132-G134 PolarHBondContact O-N 3.4Å; I132-V135 WeakPolarHBondContact O-CB 3.11Å; I132-V135 WeakPolarHBondContact O-CG2 3.28Å; I132-V135 PolarHBondContact O-N 3.27Å; I132-V196 HydrophobicContact CG1-CG1 3.9Å
133G93.3Very high95.2Very high29 Ų2952.1 Ų52.130%0.29926%0.256SS..THydrogen-bonded Turntrans-63.8-31.817800000114R128 K129 V135 K136R128-G133 PolarHBondContact O-N 2.94Å; K129-G133 CarbonylContact O-C 3.56Å; K129-G133 WeakPolarHBondContact O-CA 3.29Å; K129-G133 PolarHBondContact O-N 2.94Å; G133-V135 VanDerWaalsContact C-N 3.27Å; G133-V135 PolarHBondContact O-N 3.01Å; G133-K136 PolarHBondContact O-N 3.1Å; G133-K136 VanDerWaalsContact O-N 3.17Å
134G92.9Very high95.3Very high23 Ų2356.7 Ų56.724%0.23727%0.271CS..THydrogen-bonded Turntrans-61.6-32.5177.400000113.6K129 K130 Q131 I132 K136 E137 N138K129-G134 PolarHBondContact O-N 3.4Å; K130-G134 PolarHBondContact O-N 3.17Å; Q131-G134 PolarHBondContact O-N 2.83Å; I132-G134 VanDerWaalsContact C-N 3.3Å; I132-G134 PolarHBondContact O-N 3.4Å; G134-K136 PolarHBondContact O-N 2.79Å; G134-K136 VanDerWaalsContact O-N 3.08Å; G134-E137 PolarHBondContact O-N 3.21Å; G134-N138 PolarHBondContact O-N 2.65Å; G134-N138 PolarHBondContact O-OD1 3.06Å
135V95.9Very high95.3Very high9 Ų958.7 Ų58.76%0.05528%0.279CS..Hα-helixtrans-53.9-30.3175.9-178.80000112L37 I132 G133 N138 K139 Y189 R192 I193 V196L37-V135 HydrophobicContact CD1-CG1 4.13Å; L37-V135 HydrophobicContact CD1-CG2 4.32Å; I132-V135 WeakPolarHBondContact O-CB 3.11Å; I132-V135 WeakPolarHBondContact O-CG2 3.28Å; I132-V135 PolarHBondContact O-N 3.27Å; G133-V135 VanDerWaalsContact C-N 3.27Å; G133-V135 PolarHBondContact O-N 3.01Å; V135-N138 PolarHBondContact O-N 2.89Å; V135-K139 PolarHBondContact O-N 3.29Å; V135-Y189 HydrophobicContact CG1-CD2 4.47Å; V135-Y189 HydrophobicContact CG1-CE2 3.67Å; V135-Y189 WeakPolarHBondContact O-CE2 3.21Å; V135-R192 HydrophobicContact CG2-CG 4.39Å; V135-I193 HydrophobicContact CG1-CG1 3.81Å; V135-V196 HydrophobicContact CG2-CB 4.29Å; V135-V196 HydrophobicContact CG2-CG2 3.8Å
136K93.2Very high95.3Very high103 Ų10357.4 Ų57.445%0.44828%0.275SS..Hα-helixtrans-74.4-24.3-178.8-59.7-173.7-175.5-92.60113.6D38 G133 G134 K140D38-K136 WeakPolarHBondContact OD1-CE 3.45Å; D38-K136 IonicContact OD1-NZ 2.7Å; D38-K136 PolarHBondContact OD1-NZ 3.3Å; D38-K136 IonicContact OD2-NZ 2.75Å; D38-K136 PolarHBondContact OD2-NZ 3.21Å; G133-K136 PolarHBondContact O-N 3.1Å; G133-K136 VanDerWaalsContact O-N 3.17Å; G134-K136 PolarHBondContact O-N 2.79Å; G134-K136 VanDerWaalsContact O-N 3.08Å; K136-K140 WeakPolarHBondContact O-CB 3.31Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.09Å
137E92.6Very high95.4Very high91 Ų9159.6 Ų59.643%0.42528%0.283SS..Hα-helixtrans-78.4-37171.8-173.561.2-157.100111G134 K140 K141G134-E137 PolarHBondContact O-N 3.21Å; E137-K140 VanDerWaalsContact CD-NZ 3.31Å; E137-K140 PolarHBondContact O-N 3.32Å; E137-K140 IonicContact OE1-NZ 2.67Å; E137-K140 PolarHBondContact OE1-NZ 3.37Å; E137-K140 IonicContact OE2-NZ 2.68Å; E137-K140 PolarHBondContact OE2-NZ 2.93Å; E137-K141 WeakPolarHBondContact O-CG 3.45Å; E137-K141 PolarHBondContact O-N 3.31Å; E137-K141 VanDerWaalsContact O-N 3.07Å
138N94.7Very high95.4Very high35 Ų3562.8 Ų62.819%0.18730%0.297CS..Hα-helixtrans-59.4-47.9169-71.777.4000111.2G134 V135 K140 K141 F142 S188 Y189G134-N138 PolarHBondContact O-N 2.65Å; G134-N138 PolarHBondContact O-OD1 3.06Å; V135-N138 PolarHBondContact O-N 2.89Å; N138-K140 VanDerWaalsContact C-N 3.35Å; N138-K140 PolarHBondContact O-N 3.29Å; N138-K141 PolarHBondContact O-N 3.45Å; N138-K141 VanDerWaalsContact O-N 3.15Å; N138-F142 PolarHBondContact O-N 2.75Å; N138-S188 PolarHBondContact ND2-O 3.25Å; N138-Y189 HydrophobicContact CB-CD2 3.65Å; N138-Y189 HydrophobicContact CB-CE2 4.42Å; N138-Y189 HydrophobicContact CB-CG 4.4Å
139K96.1Very high95.4Very high58 Ų5861.2 Ų61.225%0.25229%0.292SS..Hα-helixtrans-53.5-51174.5-169.8-170.7167.5870111.5E34 V135 K141 F142 D143 Y189E34-K139 IonicContact OE1-NZ 3.79Å; E34-K139 PolarHBondContact OE1-NZ 3.27Å; E34-K139 IonicContact OE2-NZ 3.87Å; E34-K139 PolarHBondContact OE2-NZ 3.03Å; V135-K139 PolarHBondContact O-N 3.29Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 2.87Å; K139-F142 CarbonylContact O-C 3.6Å; K139-F142 WeakPolarHBondContact O-CB 3.22Å; K139-F142 PolarHBondContact O-N 3.02Å; K139-F142 VanDerWaalsContact O-N 3.12Å; K139-D143 WeakPolarHBondContact CE-OD2 3.47Å; K139-D143 WeakPolarHBondContact O-CB 3.5Å; K139-D143 PolarHBondContact O-N 3.26Å; K139-Y189 HydrophobicContact CB-CD2 4.42Å; K139-Y189 HydrophobicContact CB-CE1 4.15Å; K139-Y189 HydrophobicContact CB-CE2 3.66Å; K139-Y189 WeakPolarHBondContact CB-OH 3.43Å; K139-Y189 HydrophobicContact CG-CE1 4Å; K139-Y189 HydrophobicContact CG-CE2 4.34Å; K139-Y189 WeakPolarHBondContact CG-OH 3.48Å
140K96.2Very high95.4Very high118 Ų11858.7 Ų58.751%0.51329%0.288SS..Hα-helixtrans-60.7-30.4-179.7173.9174150.2-123.10113.8K136 E137 N138 K144K136-K140 WeakPolarHBondContact O-CB 3.31Å; K136-K140 PolarHBondContact O-N 3.45Å; K136-K140 VanDerWaalsContact O-N 3.09Å; E137-K140 VanDerWaalsContact CD-NZ 3.31Å; E137-K140 PolarHBondContact O-N 3.32Å; E137-K140 IonicContact OE1-NZ 2.67Å; E137-K140 PolarHBondContact OE1-NZ 3.37Å; E137-K140 IonicContact OE2-NZ 2.68Å; E137-K140 PolarHBondContact OE2-NZ 2.93Å; N138-K140 VanDerWaalsContact C-N 3.35Å; N138-K140 PolarHBondContact O-N 3.29Å; K140-K144 VanDerWaalsContact O-CB 3.24Å; K140-K144 WeakPolarHBondContact O-CB 3.41Å; K140-K144 PolarHBondContact O-N 2.84Å
141K96.2Very high95.4Very high88 Ų8856 Ų5638%0.38328%0.277SS..Hα-helixtrans-73.5-48.4171.6-68.3174.4178.6-1720111.5E137 N138 K139 K144 K145 E185E137-K141 WeakPolarHBondContact O-CG 3.45Å; E137-K141 PolarHBondContact O-N 3.31Å; E137-K141 VanDerWaalsContact O-N 3.07Å; N138-K141 PolarHBondContact O-N 3.45Å; N138-K141 VanDerWaalsContact O-N 3.15Å; K139-K141 VanDerWaalsContact C-N 3.26Å; K139-K141 PolarHBondContact O-N 2.87Å; K141-K144 PolarHBondContact O-N 2.87Å; K141-K145 WeakPolarHBondContact O-CG 3.33Å; K141-K145 PolarHBondContact O-N 3.05Å; K141-E185 HydrophobicContact CB-CG 4.2Å; K141-E185 WeakPolarHBondContact CB-OE2 3.43Å; K141-E185 VanDerWaalsContact CD-OE2 3.3Å; K141-E185 WeakPolarHBondContact CD-OE2 3.24Å
142F96.2Very high95.4Very high1 Ų155.5 Ų55.50%0.00428%0.276CS..Hα-helixtrans-54.8-52.3175.5165.5-111.6000111.9R27 L30 N138 K139 K144 K145 T146 Y182 S186 Y189R27-F142 VanDerWaalsContact CZ-CZ 3.49Å; R27-F142 VanDerWaalsContact NH1-CE1 3.31Å; L30-F142 HydrophobicContact CD2-CE1 3.93Å; L30-F142 HydrophobicContact CD2-CZ 4.05Å; N138-F142 PolarHBondContact O-N 2.75Å; K139-F142 CarbonylContact O-C 3.6Å; K139-F142 WeakPolarHBondContact O-CB 3.22Å; K139-F142 PolarHBondContact O-N 3.02Å; K139-F142 VanDerWaalsContact O-N 3.12Å; F142-K144 VanDerWaalsContact C-N 3.32Å; F142-K144 PolarHBondContact O-N 2.92Å; F142-K145 PolarHBondContact O-N 3.37Å; F142-T146 WeakPolarHBondContact O-CB 3.48Å; F142-T146 PolarHBondContact O-N 3.48Å; F142-T146 PolarHBondContact O-OG1 3.11Å; F142-Y182 HydrophobicContact CD2-CE2 4.12Å; F142-Y182 AromaticContact CE2-CE2 3.69Å; F142-Y182 HydrophobicContact CE2-CE2 3.69Å; F142-S186 WeakPolarHBondContact CE2-OG 3.42Å; F142-Y189 HydrophobicContact CB-CD1 3.99Å; F142-Y189 HydrophobicContact CB-CG 4.26Å; F142-Y189 AromaticContact CD1-CD1 3.47Å; F142-Y189 HydrophobicContact CD1-CD1 3.47Å; F142-Y189 VanDerWaalsContact CD1-CD1 3.47Å; F142-Y189 AromaticContact CD1-CE1 3.74Å; F142-Y189 HydrophobicContact CD1-CE1 3.74Å; F142-Y189 HydrophobicContact CD2-CD1 4.44Å; F142-Y189 AromaticContact CE1-CD1 3.92Å; F142-Y189 HydrophobicContact CE1-CD1 3.92Å; F142-Y189 HydrophobicContact CE1-CE1 4.04Å; F142-Y189 AromaticContact CG-CD1 3.74Å; F142-Y189 HydrophobicContact CG-CD1 3.74Å; F142-Y189 HydrophobicContact CG-CE1 4.44Å; F142-Y189 HydrophobicContact CG-CG 4.44Å
143D96.4Very high95.4Very high66 Ų6659.1 Ų59.135%0.35329%0.293SS..Hα-helixtrans-54-48.3175.5-65.6-20.8000110.7K139 K145 T146 E147K139-D143 WeakPolarHBondContact CE-OD2 3.47Å; K139-D143 WeakPolarHBondContact O-CB 3.5Å; K139-D143 PolarHBondContact O-N 3.26Å; D143-K145 PolarHBondContact O-N 3.02Å; D143-T146 WeakPolarHBondContact O-CB 3.21Å; D143-T146 PolarHBondContact O-N 3.24Å; D143-E147 WeakPolarHBondContact O-CB 3.13Å; D143-E147 PolarHBondContact O-N 3.22Å
144K97.1Very high95.4Very high132 Ų13263.4 Ų63.457%0.57431%0.305SS*.Hα-helixtrans-68.2-32.3-179.3-178.4174.6-179.6177.10114.1K140 K141 F142 K148K140-K144 VanDerWaalsContact O-CB 3.24Å; K140-K144 WeakPolarHBondContact O-CB 3.41Å; K140-K144 PolarHBondContact O-N 2.84Å; K141-K144 PolarHBondContact O-N 2.87Å; F142-K144 VanDerWaalsContact C-N 3.32Å; F142-K144 PolarHBondContact O-N 2.92Å; K144-K148 HydrophobicContact CG-CD 4.47Å; K144-K148 WeakPolarHBondContact O-CD 3.48Å; K144-K148 VanDerWaalsContact O-CG 3.29Å; K144-K148 WeakPolarHBondContact O-CG 3.45Å; K144-K148 PolarHBondContact O-N 2.57Å
145K96.9Very high95.4Very high42 Ų4270.3 Ų70.318%0.18332%0.324CS..Hα-helixtrans-76.2-39.9173.2-65.9-54.8-159.3177.90111.2K141 F142 D143 E147 K148 F149 E181 E185K141-K145 WeakPolarHBondContact O-CG 3.33Å; K141-K145 PolarHBondContact O-N 3.05Å; F142-K145 PolarHBondContact O-N 3.37Å; D143-K145 PolarHBondContact O-N 3.02Å; K145-E147 PolarHBondContact O-N 2.84Å; K145-K148 PolarHBondContact O-N 3.37Å; K145-F149 WeakPolarHBondContact O-CB 3.37Å; K145-F149 PolarHBondContact O-N 3.26Å; K145-E181 HydrophobicContact CD-CB 3.86Å; K145-E181 HydrophobicContact CG-CB 4.46Å; K145-E181 IonicContact NZ-OE1 2.66Å; K145-E181 PolarHBondContact NZ-OE1 2.85Å; K145-E181 IonicContact NZ-OE2 2.66Å; K145-E181 PolarHBondContact NZ-OE2 2.85Å; K145-E185 HydrophobicContact CG-CB 4.08Å; K145-E185 HydrophobicContact CG-CG 3.65Å
146T96.3Very high95.3Very high21 Ų2172.5 Ų72.513%0.12933%0.333CS..Hα-helixtrans-54.6-52.2172.7-50.90000109.9F142 D143 K148 F149 C150 Y182F142-T146 WeakPolarHBondContact O-CB 3.48Å; F142-T146 PolarHBondContact O-N 3.48Å; F142-T146 PolarHBondContact O-OG1 3.11Å; D143-T146 WeakPolarHBondContact O-CB 3.21Å; D143-T146 PolarHBondContact O-N 3.24Å; T146-K148 PolarHBondContact O-N 2.95Å; T146-F149 PolarHBondContact O-N 2.58Å; T146-C150 PolarHBondContact O-N 3.49Å; T146-C150 PolarHBondContact O-SG 3.22Å; T146-Y182 HydrophobicContact CG2-CD2 4.47Å; T146-Y182 HydrophobicContact CG2-CE2 4.21Å; T146-Y182 WeakPolarHBondContact OG1-CD2 3.25Å; T146-Y182 VanDerWaalsContact OG1-CE2 3.31Å; T146-Y182 WeakPolarHBondContact OG1-CE2 3.34Å
147E96.5Very high95.3Very high110 Ų11073.7 Ų73.751%0.51434%0.343SS..Hα-helixtrans-54.1-48.5177-168.5-157159.700112.3D143 K145 Q151D143-E147 WeakPolarHBondContact O-CB 3.13Å; D143-E147 PolarHBondContact O-N 3.22Å; K145-E147 PolarHBondContact O-N 2.84Å; E147-Q151 WeakPolarHBondContact O-CB 3.31Å; E147-Q151 VanDerWaalsContact O-CG 3.31Å; E147-Q151 WeakPolarHBondContact O-CG 3.28Å; E147-Q151 PolarHBondContact O-N 2.78Å; E147-Q151 PolarHBondContact OE1-NE2 2.87Å
148K95.9Very high95.3Very high70 Ų7075.3 Ų75.330%0.30436%0.355SS..Hα-helixtrans-66.1-38.4179.1-71.1168.4100.7-88.50112.7K144 K145 T146 S152 H178 E181K144-K148 HydrophobicContact CG-CD 4.47Å; K144-K148 WeakPolarHBondContact O-CD 3.48Å; K144-K148 VanDerWaalsContact O-CG 3.29Å; K144-K148 WeakPolarHBondContact O-CG 3.45Å; K144-K148 PolarHBondContact O-N 2.57Å; K145-K148 PolarHBondContact O-N 3.37Å; T146-K148 PolarHBondContact O-N 2.95Å; K148-S152 WeakPolarHBondContact O-CB 3.31Å; K148-S152 PolarHBondContact O-N 2.91Å; K148-H178 PolarHBondContact NZ-CD2 2.68Å; K148-H178 VanDerWaalsContact NZ-CD2 3.32Å; K148-H178 PolarHBondContact NZ-NE2 2.94Å; K148-E181 IonicContact NZ-OE2 3.06Å
149F96.6Very high95.2Very high28 Ų2875 Ų7512%0.12335%0.353CS..Hα-helixtrans-65-51.9176.8170.7-118.5000110.6K145 T146 Q151 S152 Q153 L175 H178 E179 Y182K145-F149 WeakPolarHBondContact O-CB 3.37Å; K145-F149 PolarHBondContact O-N 3.26Å; T146-F149 PolarHBondContact O-N 2.58Å; F149-Q151 VanDerWaalsContact C-N 3.33Å; F149-Q151 PolarHBondContact O-N 2.93Å; F149-S152 PolarHBondContact O-N 2.83Å; F149-Q153 WeakPolarHBondContact O-CB 3.33Å; F149-Q153 PolarHBondContact O-N 3.41Å; F149-L175 HydrophobicContact CD2-CD1 3.97Å; F149-L175 HydrophobicContact CE2-CD1 3.74Å; F149-H178 HydrophobicContact CB-CB 4.45Å; F149-E179 HydrophobicContact CD2-CB 3.93Å; F149-E179 HydrophobicContact CE2-CB 3.62Å; F149-E179 HydrophobicContact CE2-CG 3.93Å; F149-E179 HydrophobicContact CZ-CB 4.47Å; F149-E179 HydrophobicContact CZ-CG 4.31Å; F149-Y182 HydrophobicContact CB-CG 4.38Å; F149-Y182 AromaticContact CD1-CD1 3.99Å; F149-Y182 HydrophobicContact CD1-CD1 3.99Å; F149-Y182 HydrophobicContact CD1-CG 4.17Å; F149-Y182 HydrophobicContact CE1-CD1 4.27Å; F149-Y182 HydrophobicContact CG-CD1 4.48Å; F149-Y182 HydrophobicContact CG-CG 4.4Å
150C95.3Very high94.8Very high58 Ų5875.5 Ų75.539%0.39236%0.364SS..Hα-helixtrans-57.2-43.8175.5-62.50000112.1T146 S152 Q153 E154T146-C150 PolarHBondContact O-N 3.49Å; T146-C150 PolarHBondContact O-SG 3.22Å; C150-S152 PolarHBondContact O-N 2.83Å; C150-Q153 PolarHBondContact O-N 2.71Å; C150-E154 WeakPolarHBondContact O-CB 3.49Å; C150-E154 PolarHBondContact O-N 3Å
151Q95.4Very high94.4Very high66 Ų6676.2 Ų76.231%0.30838%0.378SS..Hα-helixtrans-65-36.1175.1-74.6179.226.600113.2E147 F149 R155E147-Q151 WeakPolarHBondContact O-CB 3.31Å; E147-Q151 VanDerWaalsContact O-CG 3.31Å; E147-Q151 WeakPolarHBondContact O-CG 3.28Å; E147-Q151 PolarHBondContact O-N 2.78Å; E147-Q151 PolarHBondContact OE1-NE2 2.87Å; F149-Q151 VanDerWaalsContact C-N 3.33Å; F149-Q151 PolarHBondContact O-N 2.93Å; Q151-R155 WeakPolarHBondContact O-CB 3.4Å; Q151-R155 VanDerWaalsContact O-CD 3.31Å; Q151-R155 WeakPolarHBondContact O-CD 3.33Å; Q151-R155 WeakPolarHBondContact O-CG 3.45Å; Q151-R155 PolarHBondContact O-N 2.92Å; Q151-R155 VanDerWaalsContact O-N 3.11Å; Q151-R155 VanDerWaalsContact OE1-NH2 3.15Å
152S94Very high94Very high14 Ų1481.2 Ų81.210%0.09840%0.4CS..Hα-helixtrans-70.7-38176-163.40000111.2K148 F149 C150 F156 S174K148-S152 WeakPolarHBondContact O-CB 3.31Å; K148-S152 PolarHBondContact O-N 2.91Å; F149-S152 PolarHBondContact O-N 2.83Å; C150-S152 PolarHBondContact O-N 2.83Å; S152-F156 WeakPolarHBondContact O-CB 3.35Å; S152-F156 PolarHBondContact O-N 3.05Å; S152-S174 PolarHBondContact OG-OG 3.45Å
153Q94.8Very high93.6Very high80 Ų8085.9 Ų85.937%0.37442%0.42SS..Hα-helixtrans-66.2-48.4177.1-170.6-176.358.600110.9F149 C150 R155 F156 L157 L175F149-Q153 WeakPolarHBondContact O-CB 3.33Å; F149-Q153 PolarHBondContact O-N 3.41Å; C150-Q153 PolarHBondContact O-N 2.71Å; Q153-R155 PolarHBondContact O-N 2.86Å; Q153-F156 PolarHBondContact O-N 2.78Å; Q153-L157 HydrophobicContact CG-CD1 4Å; Q153-L157 WeakPolarHBondContact O-CB 3.44Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.21Å; Q153-L157 PolarHBondContact O-N 3.21Å; Q153-L175 HydrophobicContact CB-CD1 3.85Å; Q153-L175 HydrophobicContact CG-CD1 4.44Å
154E95.1Very high93.3Very high118 Ų11886.9 Ų86.955%0.55143%0.43SS*.Hα-helixtrans-58.2-45.1174.8-179.3-177.8-15900111.8C150 F156 L157 N158C150-E154 WeakPolarHBondContact O-CB 3.49Å; C150-E154 PolarHBondContact O-N 3Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 2.97Å; E154-L157 PolarHBondContact O-N 2.99Å; E154-N158 VanDerWaalsContact CG-ND2 3.29Å; E154-N158 WeakPolarHBondContact CG-ND2 3.38Å; E154-N158 VanDerWaalsContact O-CB 3.26Å; E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 PolarHBondContact O-N 2.73Å; E154-N158 PolarHBondContact O-ND2 2.97Å
155R92.6Very high92.9Very high168 Ų16885.9 Ų85.963%0.63443%0.428SS*.Hα-helixtrans-64.8-32.7177.6-72.5168.9-161.8-171.19.7113.1Q151 Q153Q151-R155 WeakPolarHBondContact O-CB 3.4Å; Q151-R155 VanDerWaalsContact O-CD 3.31Å; Q151-R155 WeakPolarHBondContact O-CD 3.33Å; Q151-R155 WeakPolarHBondContact O-CG 3.45Å; Q151-R155 PolarHBondContact O-N 2.92Å; Q151-R155 VanDerWaalsContact O-N 3.11Å; Q151-R155 VanDerWaalsContact OE1-NH2 3.15Å; Q153-R155 PolarHBondContact O-N 2.86Å
156F93.9Very high92.6Very high56 Ų5689.2 Ų89.225%0.24645%0.447CS..Hα-helixtrans-72.7-49.1175.9-176.4-102.1000111.1S152 Q153 E154 N158 M159 I168 A171 D172 L175S152-F156 WeakPolarHBondContact O-CB 3.35Å; S152-F156 PolarHBondContact O-N 3.05Å; Q153-F156 PolarHBondContact O-N 2.78Å; E154-F156 VanDerWaalsContact C-N 3.3Å; E154-F156 PolarHBondContact O-N 2.97Å; F156-N158 PolarHBondContact O-N 3.23Å; F156-M159 HydrophobicContact CD2-CE 4.07Å; F156-M159 HydrophobicContact CE2-CE 4.36Å; F156-M159 WeakPolarHBondContact O-CB 3.49Å; F156-M159 PolarHBondContact O-N 2.9Å; F156-M159 VanDerWaalsContact O-N 3.09Å; F156-I168 HydrophobicContact CE2-CG2 4.44Å; F156-A171 HydrophobicContact CD2-CB 3.87Å; F156-A171 HydrophobicContact CE2-CB 4.42Å; F156-D172 HydrophobicContact CE2-CB 3.79Å; F156-D172 HydrophobicContact CZ-CB 4.22Å; F156-L175 HydrophobicContact CB-CD2 4.14Å; F156-L175 HydrophobicContact CD1-CD2 3.78Å; F156-L175 HydrophobicContact CE1-CD2 4.34Å; F156-L175 HydrophobicContact CG-CD2 3.96Å
157L92.8Very high92.4Very high127 Ų12790.4 Ų90.467%0.66545%0.454SS*.Hα-helixtrans-63.9-36.7178.9-67.9172.2000112.9Q153 E154 M159Q153-L157 HydrophobicContact CG-CD1 4Å; Q153-L157 WeakPolarHBondContact O-CB 3.44Å; Q153-L157 VanDerWaalsContact O-CG 3.3Å; Q153-L157 WeakPolarHBondContact O-CG 3.21Å; Q153-L157 PolarHBondContact O-N 3.21Å; E154-L157 PolarHBondContact O-N 2.99Å; L157-M159 PolarHBondContact O-N 3.43Å
158N93Very high92.1Very high125 Ų12587.3 Ų87.367%0.66844%0.441SS*.THydrogen-bonded Turntrans-80.15.5175.6-72.4-37.7000113.7E154 F156E154-N158 VanDerWaalsContact CG-ND2 3.29Å; E154-N158 WeakPolarHBondContact CG-ND2 3.38Å; E154-N158 VanDerWaalsContact O-CB 3.26Å; E154-N158 WeakPolarHBondContact O-CB 3.34Å; E154-N158 PolarHBondContact O-N 2.73Å; E154-N158 PolarHBondContact O-ND2 2.97Å; F156-N158 PolarHBondContact O-N 3.23Å
159M90.8Very high91.9Very high30 Ų3089.1 Ų89.115%0.14845%0.451CS..  trans-82.3128-176.9-168.5154.860.100112.4F156 L157 T161 K163 I168 A171F156-M159 HydrophobicContact CD2-CE 4.07Å; F156-M159 HydrophobicContact CE2-CE 4.36Å; F156-M159 WeakPolarHBondContact O-CB 3.49Å; F156-M159 PolarHBondContact O-N 2.9Å; F156-M159 VanDerWaalsContact O-N 3.09Å; L157-M159 PolarHBondContact O-N 3.43Å; M159-T161 PolarHBondContact O-N 3.01Å; M159-K163 HydrophobicContact CG-CD 3.74Å; M159-K163 HydrophobicContact CG-CG 4.28Å; M159-K163 HydrophobicContact SD-CD 3.61Å; M159-K163 PolarHBondContact SD-NZ 3.12Å; M159-I168 HydrophobicContact CE-CB 4.33Å; M159-I168 HydrophobicContact CE-CG1 4.19Å; M159-I168 HydrophobicContact CE-CG2 4.31Å; M159-A171 HydrophobicContact CE-CB 3.55Å; M159-A171 HydrophobicContact SD-CB 4.24Å
160S88.5Confident91.7Very high68 Ų6894 Ų9448%0.47647%0.474SS..  trans-64.4129.6176-173.50000112K162 K163S160-K162 PolarHBondContact O-N 2.98Å; S160-K162 PolarHBondContact OG-N 3.29Å; S160-K163 PolarHBondContact O-N 3.31Å; S160-K163 VanDerWaalsContact O-N 3.09Å
161T87.1Confident91.5Very high132 Ų13292.3 Ų92.381%0.8146%0.464SS*.THydrogen-bonded Turntrans-60.1-1.5171.453.50000114.7M159M159-T161 PolarHBondContact O-N 3.01Å
162K89Confident91.5Very high193 Ų19393.5 Ų93.584%0.83947%0.473SS*.THydrogen-bonded Turntrans-92.4-1174-60.7-176.3179.7-1790113.9S160S160-K162 PolarHBondContact O-N 2.98Å; S160-K162 PolarHBondContact OG-N 3.29Å
163K87.6Confident91.5Very high99 Ų9995.8 Ų95.843%0.4349%0.493SS..SBendtrans-70157.2174.3-75.2-157-168169.10111.4M159 S160 T167 I168M159-K163 HydrophobicContact CG-CD 3.74Å; M159-K163 HydrophobicContact CG-CG 4.28Å; M159-K163 HydrophobicContact SD-CD 3.61Å; M159-K163 PolarHBondContact SD-NZ 3.12Å; S160-K163 PolarHBondContact O-N 3.31Å; S160-K163 VanDerWaalsContact O-N 3.09Å; K163-T167 HydrophobicContact CD-CG2 3.76Å; K163-I168 HydrophobicContact CB-CG1 4.38Å
164P90.2Very high91.5Very high87 Ų8793.9 Ų93.957%0.56549%0.488SS*.  trans-57.8141.3170.8-22.133.8000111.5N166 T167 I168P164-N166 VanDerWaalsContact C-N 3.28Å; P164-N166 PolarHBondContact O-N 2.87Å; P164-T167 WeakPolarHBondContact O-CA 3.42Å; P164-T167 WeakPolarHBondContact O-CB 3.38Å; P164-T167 PolarHBondContact O-N 2.71Å; P164-I168 PolarHBondContact O-N 3.43Å
165E89.4Confident91.5Very high112 Ų11289.4 Ų89.452%0.52347%0.468SS..Hα-helixtrans-50.2-45.8-179.4179.258.1-157.500112.5T167 I168 Q169E165-T167 PolarHBondContact O-N 2.64Å; E165-I168 WeakPolarHBondContact O-CA 3.41Å; E165-I168 WeakPolarHBondContact O-CB 3.48Å; E165-I168 PolarHBondContact O-N 2.94Å; E165-Q169 PolarHBondContact O-N 2.93Å; E165-Q169 PolarHBondContact OE1-NE2 3.33Å
166N90.5Very high91.6Very high112 Ų11282.4 Ų82.460%0.59945%0.447SS*.Hα-helixtrans-54-39.7176.3-60.119.3000112.6P164 I168 Q169 E170P164-N166 VanDerWaalsContact C-N 3.28Å; P164-N166 PolarHBondContact O-N 2.87Å; N166-I168 VanDerWaalsContact C-N 3.3Å; N166-I168 PolarHBondContact O-N 3.46Å; N166-Q169 PolarHBondContact O-N 3.05Å; N166-E170 WeakPolarHBondContact O-CB 3.33Å; N166-E170 VanDerWaalsContact O-CG 3.24Å; N166-E170 WeakPolarHBondContact O-CG 3.26Å; N166-E170 PolarHBondContact O-N 3.31Å
167T91.1Very high91.7Very high45 Ų4583.9 Ų83.928%0.27646%0.456SS..Hα-helixtrans-73.7-22.8179-50.60000112.5K163 P164 E165 A171K163-T167 HydrophobicContact CD-CG2 3.76Å; P164-T167 WeakPolarHBondContact O-CA 3.42Å; P164-T167 WeakPolarHBondContact O-CB 3.38Å; P164-T167 PolarHBondContact O-N 2.71Å; E165-T167 PolarHBondContact O-N 2.64Å; T167-A171 PolarHBondContact O-N 3.04Å
168I90.4Very high91.9Very high45 Ų4579 Ų7923%0.23143%0.43CS..Hα-helixtrans-74.7-47.1171.1-57178.7000109.3F156 M159 K163 P164 E165 N166 E170 A171 D172F156-I168 HydrophobicContact CE2-CG2 4.44Å; M159-I168 HydrophobicContact CE-CB 4.33Å; M159-I168 HydrophobicContact CE-CG1 4.19Å; M159-I168 HydrophobicContact CE-CG2 4.31Å; K163-I168 HydrophobicContact CB-CG1 4.38Å; P164-I168 PolarHBondContact O-N 3.43Å; E165-I168 WeakPolarHBondContact O-CA 3.41Å; E165-I168 WeakPolarHBondContact O-CB 3.48Å; E165-I168 PolarHBondContact O-N 2.94Å; N166-I168 VanDerWaalsContact C-N 3.3Å; N166-I168 PolarHBondContact O-N 3.46Å; I168-E170 PolarHBondContact O-N 2.64Å; I168-A171 PolarHBondContact O-N 2.9Å; I168-A171 VanDerWaalsContact O-N 3.16Å; I168-D172 PolarHBondContact O-N 3.01Å
169Q91.5Very high92Very high108 Ų10877.2 Ų77.251%0.50542%0.418SS..Hα-helixtrans-63.2-38.6177.2-64.6178.66.500112.9E165 N166 A171 D172 A173E165-Q169 PolarHBondContact O-N 2.93Å; E165-Q169 PolarHBondContact OE1-NE2 3.33Å; N166-Q169 PolarHBondContact O-N 3.05Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.43Å; Q169-D172 PolarHBondContact O-N 3.47Å; Q169-A173 VanDerWaalsContact O-CB 3.27Å; Q169-A173 WeakPolarHBondContact O-CB 3.45Å; Q169-A173 PolarHBondContact O-N 3.14Å
170E92Very high92.2Very high130 Ų13083.8 Ų83.861%0.60744%0.441SS*.Hα-helixtrans-60.8-39.7172.4-78.2167-178.900112.4N166 I168 S174N166-E170 WeakPolarHBondContact O-CB 3.33Å; N166-E170 VanDerWaalsContact O-CG 3.24Å; N166-E170 WeakPolarHBondContact O-CG 3.26Å; N166-E170 PolarHBondContact O-N 3.31Å; I168-E170 PolarHBondContact O-N 2.64Å; E170-S174 WeakPolarHBondContact O-CB 3.3Å; E170-S174 PolarHBondContact O-N 2.83Å
171A92.6Very high92.6Very high24 Ų2483.1 Ų83.120%0.19843%0.43CS..Hα-helixtrans-75.5-36.6179.400000112.5F156 M159 T167 I168 Q169 S174 L175F156-A171 HydrophobicContact CD2-CB 3.87Å; F156-A171 HydrophobicContact CE2-CB 4.42Å; M159-A171 HydrophobicContact CE-CB 3.55Å; M159-A171 HydrophobicContact SD-CB 4.24Å; T167-A171 PolarHBondContact O-N 3.04Å; I168-A171 PolarHBondContact O-N 2.9Å; I168-A171 VanDerWaalsContact O-N 3.16Å; Q169-A171 VanDerWaalsContact C-N 3.33Å; Q169-A171 PolarHBondContact O-N 3.43Å; A171-S174 WeakPolarHBondContact O-CB 3.46Å; A171-S174 PolarHBondContact O-N 2.78Å; A171-L175 WeakPolarHBondContact O-CB 3.49Å; A171-L175 PolarHBondContact O-N 3.25Å
172D94.3Very high92.9Very high91 Ų9177.1 Ų77.149%0.48739%0.393SS..Hα-helixtrans-64-48.4173.1-175.462.8000111.1F156 I168 Q169 S174 L175 G176F156-D172 HydrophobicContact CE2-CB 3.79Å; F156-D172 HydrophobicContact CZ-CB 4.22Å; I168-D172 PolarHBondContact O-N 3.01Å; Q169-D172 PolarHBondContact O-N 3.47Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 2.81Å; D172-L175 WeakPolarHBondContact O-CB 3.44Å; D172-L175 PolarHBondContact O-N 3.47Å; D172-G176 PolarHBondContact O-N 2.67Å
173A94.7Very high93.3Very high62 Ų6269.8 Ų69.851%0.51236%0.362SS..Hα-helixtrans-59.6-36.1173.400000112.5Q169 M177Q169-A173 VanDerWaalsContact O-CB 3.27Å; Q169-A173 WeakPolarHBondContact O-CB 3.45Å; Q169-A173 PolarHBondContact O-N 3.14Å; A173-M177 VanDerWaalsContact O-CB 3.29Å; A173-M177 WeakPolarHBondContact O-CB 3.25Å; A173-M177 PolarHBondContact O-N 2.82Å
174S93.9Very high93.7Very high40 Ų4071.1 Ų71.128%0.2837%0.37SS..Hα-helixtrans-66.6-40.71711730000112.5S152 E170 A171 D172 M177 H178S152-S174 PolarHBondContact OG-OG 3.45Å; E170-S174 WeakPolarHBondContact O-CB 3.3Å; E170-S174 PolarHBondContact O-N 2.83Å; A171-S174 WeakPolarHBondContact O-CB 3.46Å; A171-S174 PolarHBondContact O-N 2.78Å; D172-S174 VanDerWaalsContact C-N 3.27Å; D172-S174 PolarHBondContact O-N 2.81Å; S174-M177 WeakPolarHBondContact O-CB 3.45Å; S174-M177 PolarHBondContact O-N 3.25Å; S174-H178 PolarHBondContact O-N 2.98Å; S174-H178 PolarHBondContact O-ND1 3.24Å; S174-H178 PolarHBondContact OG-ND1 3.49Å
175L95.8Very high94Very high24 Ų2468.7 Ų68.713%0.12635%0.351CS..Hα-helixtrans-64.9-53.8178.4178.255.9000110.7F149 Q153 F156 A171 D172 M177 H178 E179F149-L175 HydrophobicContact CD2-CD1 3.97Å; F149-L175 HydrophobicContact CE2-CD1 3.74Å; Q153-L175 HydrophobicContact CB-CD1 3.85Å; Q153-L175 HydrophobicContact CG-CD1 4.44Å; F156-L175 HydrophobicContact CB-CD2 4.14Å; F156-L175 HydrophobicContact CD1-CD2 3.78Å; F156-L175 HydrophobicContact CE1-CD2 4.34Å; F156-L175 HydrophobicContact CG-CD2 3.96Å; A171-L175 WeakPolarHBondContact O-CB 3.49Å; A171-L175 PolarHBondContact O-N 3.25Å; D172-L175 WeakPolarHBondContact O-CB 3.44Å; D172-L175 PolarHBondContact O-N 3.47Å; L175-M177 PolarHBondContact O-N 3.18Å; L175-H178 PolarHBondContact O-N 3.22Å; L175-E179 WeakPolarHBondContact O-CB 3.27Å; L175-E179 PolarHBondContact O-N 3.42Å
176G95Very high94.3Very high20 Ų2063.3 Ų63.321%0.20633%0.326CS..Hα-helixtrans-65-18.8176.100000113.8D172 R180D172-G176 PolarHBondContact O-N 2.67Å; G176-R180 WeakPolarHBondContact O-CG 3.45Å; G176-R180 PolarHBondContact O-NE 3.43Å; G176-R180 PolarHBondContact O-NH2 3.04Å
177M95.9Very high94.5Very high88 Ų8860.6 Ų60.643%0.43331%0.311SS..Hα-helixtrans-71.1-53.6165.3-178.6-175.268.500111A173 S174 L175 E179 R180 E181A173-M177 VanDerWaalsContact O-CB 3.29Å; A173-M177 WeakPolarHBondContact O-CB 3.25Å; A173-M177 PolarHBondContact O-N 2.82Å; S174-M177 WeakPolarHBondContact O-CB 3.45Å; S174-M177 PolarHBondContact O-N 3.25Å; L175-M177 PolarHBondContact O-N 3.18Å; M177-E179 VanDerWaalsContact C-N 3.32Å; M177-E179 PolarHBondContact O-N 3.39Å; M177-R180 PolarHBondContact O-N 2.82Å; M177-E181 WeakPolarHBondContact O-CG 3.01Å; M177-E181 PolarHBondContact O-N 3.28Å
178H96Very high94.8Very high24 Ų2460.7 Ų60.711%0.11131%0.314CS..Hα-helixtrans-65.3-33-178-7498.4000113.4K148 F149 S174 L175 E181 Y182K148-H178 PolarHBondContact NZ-CD2 2.68Å; K148-H178 VanDerWaalsContact NZ-CD2 3.32Å; K148-H178 PolarHBondContact NZ-NE2 2.94Å; F149-H178 HydrophobicContact CB-CB 4.45Å; S174-H178 PolarHBondContact O-N 2.98Å; S174-H178 PolarHBondContact O-ND1 3.24Å; S174-H178 PolarHBondContact OG-ND1 3.49Å; L175-H178 PolarHBondContact O-N 3.22Å; H178-E181 IonicContact CD2-OE2 3.24Å; H178-E181 PolarHBondContact O-N 3.1Å; H178-Y182 WeakPolarHBondContact O-CB 3.39Å; H178-Y182 PolarHBondContact O-N 2.95Å
179E95.5Very high95.1Very high87 Ų8758.6 Ų58.641%0.40730%0.303SS..Hα-helixtrans-59.3-50.6172.4-176.6179.8-139.300111.6F149 L175 M177 E181 Y182 I183F149-E179 HydrophobicContact CD2-CB 3.93Å; F149-E179 HydrophobicContact CE2-CB 3.62Å; F149-E179 HydrophobicContact CE2-CG 3.93Å; F149-E179 HydrophobicContact CZ-CB 4.47Å; F149-E179 HydrophobicContact CZ-CG 4.31Å; L175-E179 WeakPolarHBondContact O-CB 3.27Å; L175-E179 PolarHBondContact O-N 3.42Å; M177-E179 VanDerWaalsContact C-N 3.32Å; M177-E179 PolarHBondContact O-N 3.39Å; E179-E181 VanDerWaalsContact C-N 3.33Å; E179-E181 PolarHBondContact O-N 3.28Å; E179-Y182 WeakPolarHBondContact O-CB 3.31Å; E179-Y182 PolarHBondContact O-N 2.81Å; E179-Y182 VanDerWaalsContact O-N 3.12Å; E179-I183 HydrophobicContact CG-CD1 3.98Å; E179-I183 WeakPolarHBondContact O-CG1 3.36Å; E179-I183 PolarHBondContact O-N 3.19Å
180R95.4Very high95.3Very high169 Ų16953.5 Ų53.564%0.63828%0.279SS*.Hα-helixtrans-62-40.3175.9-75.2177.2-70.9176.3-2.4111.9G176 M177 Y182 Q184G176-R180 WeakPolarHBondContact O-CG 3.45Å; G176-R180 PolarHBondContact O-NE 3.43Å; G176-R180 PolarHBondContact O-NH2 3.04Å; M177-R180 PolarHBondContact O-N 2.82Å; R180-Y182 VanDerWaalsContact C-N 3.32Å; R180-Y182 PolarHBondContact O-N 3.07Å; R180-Q184 WeakPolarHBondContact O-CB 3.49Å; R180-Q184 PolarHBondContact O-N 2.94Å
181E96.1Very high95.5Very high53 Ų5352 Ų5225%0.24828%0.275CS..Hα-helixtrans-62.3-38.1173.6-65.9-157.6122.900112.6K145 K148 M177 H178 E179 E185K145-E181 HydrophobicContact CD-CB 3.86Å; K145-E181 HydrophobicContact CG-CB 4.46Å; K145-E181 IonicContact NZ-OE1 2.66Å; K145-E181 PolarHBondContact NZ-OE1 2.85Å; K145-E181 IonicContact NZ-OE2 2.66Å; K145-E181 PolarHBondContact NZ-OE2 2.85Å; K148-E181 IonicContact NZ-OE2 3.06Å; M177-E181 WeakPolarHBondContact O-CG 3.01Å; M177-E181 PolarHBondContact O-N 3.28Å; H178-E181 IonicContact CD2-OE2 3.24Å; H178-E181 PolarHBondContact O-N 3.1Å; E179-E181 VanDerWaalsContact C-N 3.33Å; E179-E181 PolarHBondContact O-N 3.28Å; E181-E185 PolarHBondContact O-N 3.38Å
182Y95.2Very high95.7Very high7 Ų752.7 Ų52.73%0.02727%0.272CS..Hα-helixtrans-67.3-54.3177.5160.5-107.7000111.8D22 F142 T146 F149 H178 E179 R180 Q184 E185 S186D22-Y182 PolarHBondContact OD1-OH 3.18Å; D22-Y182 PolarHBondContact OD2-OH 3.33Å; F142-Y182 HydrophobicContact CD2-CE2 4.12Å; F142-Y182 AromaticContact CE2-CE2 3.69Å; F142-Y182 HydrophobicContact CE2-CE2 3.69Å; T146-Y182 HydrophobicContact CG2-CD2 4.47Å; T146-Y182 HydrophobicContact CG2-CE2 4.21Å; T146-Y182 WeakPolarHBondContact OG1-CD2 3.25Å; T146-Y182 VanDerWaalsContact OG1-CE2 3.31Å; T146-Y182 WeakPolarHBondContact OG1-CE2 3.34Å; F149-Y182 HydrophobicContact CB-CG 4.38Å; F149-Y182 AromaticContact CD1-CD1 3.99Å; F149-Y182 HydrophobicContact CD1-CD1 3.99Å; F149-Y182 HydrophobicContact CD1-CG 4.17Å; F149-Y182 HydrophobicContact CE1-CD1 4.27Å; F149-Y182 HydrophobicContact CG-CD1 4.48Å; F149-Y182 HydrophobicContact CG-CG 4.4Å; H178-Y182 WeakPolarHBondContact O-CB 3.39Å; H178-Y182 PolarHBondContact O-N 2.95Å; E179-Y182 WeakPolarHBondContact O-CB 3.31Å; E179-Y182 PolarHBondContact O-N 2.81Å; E179-Y182 VanDerWaalsContact O-N 3.12Å; R180-Y182 VanDerWaalsContact C-N 3.32Å; R180-Y182 PolarHBondContact O-N 3.07Å; Y182-Q184 VanDerWaalsContact C-N 3.26Å; Y182-Q184 PolarHBondContact O-N 3.44Å; Y182-E185 PolarHBondContact O-N 3.25Å; Y182-S186 WeakPolarHBondContact O-CB 3.25Å; Y182-S186 PolarHBondContact O-N 3.45Å
183I95.5Very high95.8Very high39 Ų3948.3 Ų48.320%0.225%0.249CC..Hα-helixtrans-59.3-39.9179.6-64.8169.5000110.4I20 E179 S186 L187I20-I183 HydrophobicContact CG1-CG2 4.34Å; I20-I183 HydrophobicContact CG2-CD1 4.45Å; E179-I183 HydrophobicContact CG-CD1 3.98Å; E179-I183 WeakPolarHBondContact O-CG1 3.36Å; E179-I183 PolarHBondContact O-N 3.19Å; I183-S186 WeakPolarHBondContact O-CB 3.27Å; I183-S186 PolarHBondContact O-N 3.34Å; I183-L187 HydrophobicContact CG2-CD1 3.8Å; I183-L187 HydrophobicContact CG2-CG 4.23Å; I183-L187 WeakPolarHBondContact O-CG 3.34Å; I183-L187 PolarHBondContact O-N 2.89Å
184Q96.5Very high95.8Very high127 Ų12748.4 Ų48.459%0.59324%0.239SC*.Hα-helixtrans-60.4-47.8177.9-177.5178.11.100113.1R180 Y182 S188R180-Q184 WeakPolarHBondContact O-CB 3.49Å; R180-Q184 PolarHBondContact O-N 2.94Å; Y182-Q184 VanDerWaalsContact C-N 3.26Å; Y182-Q184 PolarHBondContact O-N 3.44Å; Q184-S188 VanDerWaalsContact O-CB 3.27Å; Q184-S188 WeakPolarHBondContact O-CB 3.33Å; Q184-S188 PolarHBondContact O-N 2.89Å; Q184-S188 VanDerWaalsContact O-N 3.11Å; Q184-S188 PolarHBondContact O-OG 3.41Å
185E96.2Very high95.9Very high35 Ų3549.7 Ų49.716%0.16424%0.24CC..Hα-helixtrans-74.7-28.7177.7-66.3-74.5-176.200111.9K141 K145 E181 Y182 S188 Y189K141-E185 HydrophobicContact CB-CG 4.2Å; K141-E185 WeakPolarHBondContact CB-OE2 3.43Å; K141-E185 VanDerWaalsContact CD-OE2 3.3Å; K141-E185 WeakPolarHBondContact CD-OE2 3.24Å; K145-E185 HydrophobicContact CG-CB 4.08Å; K145-E185 HydrophobicContact CG-CG 3.65Å; E181-E185 PolarHBondContact O-N 3.38Å; Y182-E185 PolarHBondContact O-N 3.25Å; E185-S188 PolarHBondContact O-N 3.03Å; E185-Y189 VanDerWaalsContact O-CB 3.22Å; E185-Y189 WeakPolarHBondContact O-CB 3.41Å; E185-Y189 PolarHBondContact O-N 2.99Å
186S95.8Very high95.9Very high0 Ų048.6 Ų48.60%023%0.234CC..Hα-helixtrans-60.9-55.8173.1-174.30000111.9F142 Y182 I183 S188 Y189 V190F142-S186 WeakPolarHBondContact CE2-OG 3.42Å; Y182-S186 WeakPolarHBondContact O-CB 3.25Å; Y182-S186 PolarHBondContact O-N 3.45Å; I183-S186 WeakPolarHBondContact O-CB 3.27Å; I183-S186 PolarHBondContact O-N 3.34Å; S186-S188 VanDerWaalsContact C-N 3.31Å; S186-S188 PolarHBondContact O-N 3.37Å; S186-Y189 PolarHBondContact O-N 3.18Å; S186-Y189 VanDerWaalsContact O-N 3.09Å; S186-V190 PolarHBondContact O-N 3.47Å
187L96.3Very high95.8Very high54 Ų5449.3 Ų49.328%0.28323%0.233SC..Hα-helixtrans-59.5-41.4175.5-66171.8000111.6F16 C19 I183 Y189 L191F16-L187 HydrophobicContact CB-CD2 3.71Å; F16-L187 HydrophobicContact CD1-CD2 3.51Å; F16-L187 HydrophobicContact CE1-CD2 4.4Å; F16-L187 HydrophobicContact CG-CD2 3.88Å; C19-L187 HydrophobicContact CB-CD2 3.71Å; C19-L187 HydrophobicContact CB-CG 4.43Å; I183-L187 HydrophobicContact CG2-CD1 3.8Å; I183-L187 HydrophobicContact CG2-CG 4.23Å; I183-L187 WeakPolarHBondContact O-CG 3.34Å; I183-L187 PolarHBondContact O-N 2.89Å; L187-Y189 VanDerWaalsContact C-N 3.29Å; L187-Y189 PolarHBondContact O-N 2.92Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 PolarHBondContact O-N 2.91Å
188S96.1Very high95.7Very high47 Ų4749.8 Ų49.833%0.32923%0.234SC..Hα-helixtrans-65.8-30.2177-600000113.1N138 Q184 E185 S186 R192N138-S188 PolarHBondContact ND2-O 3.25Å; Q184-S188 VanDerWaalsContact O-CB 3.27Å; Q184-S188 WeakPolarHBondContact O-CB 3.33Å; Q184-S188 PolarHBondContact O-N 2.89Å; Q184-S188 VanDerWaalsContact O-N 3.11Å; Q184-S188 PolarHBondContact O-OG 3.41Å; E185-S188 PolarHBondContact O-N 3.03Å; S186-S188 VanDerWaalsContact C-N 3.31Å; S186-S188 PolarHBondContact O-N 3.37Å; S188-R192 WeakPolarHBondContact O-CB 3.1Å; S188-R192 PolarHBondContact O-N 3.15Å
189Y97.1Very high95.7Very high2 Ų251.9 Ų51.91%0.00824%0.24CC..Hα-helixtrans-76.3-47.3177.7179.6-142.9000111.5L30 E34 V135 N138 K139 F142 E185 S186 L187 R192 I193L30-Y189 HydrophobicContact CD1-CD1 4.38Å; L30-Y189 HydrophobicContact CD1-CE1 4.03Å; L30-Y189 HydrophobicContact CD2-CD1 4.5Å; L30-Y189 HydrophobicContact CD2-CE1 4.13Å; L30-Y189 HydrophobicContact CG-CE1 4.35Å; E34-Y189 WeakPolarHBondContact CG-OH 3.47Å; E34-Y189 PolarHBondContact OE1-OH 3.28Å; E34-Y189 VanDerWaalsContact OE1-OH 3.12Å; V135-Y189 HydrophobicContact CG1-CD2 4.47Å; V135-Y189 HydrophobicContact CG1-CE2 3.67Å; V135-Y189 WeakPolarHBondContact O-CE2 3.21Å; N138-Y189 HydrophobicContact CB-CD2 3.65Å; N138-Y189 HydrophobicContact CB-CE2 4.42Å; N138-Y189 HydrophobicContact CB-CG 4.4Å; K139-Y189 HydrophobicContact CB-CD2 4.42Å; K139-Y189 HydrophobicContact CB-CE1 4.15Å; K139-Y189 HydrophobicContact CB-CE2 3.66Å; K139-Y189 WeakPolarHBondContact CB-OH 3.43Å; K139-Y189 HydrophobicContact CG-CE1 4Å; K139-Y189 HydrophobicContact CG-CE2 4.34Å; K139-Y189 WeakPolarHBondContact CG-OH 3.48Å; F142-Y189 HydrophobicContact CB-CD1 3.99Å; F142-Y189 HydrophobicContact CB-CG 4.26Å; F142-Y189 AromaticContact CD1-CD1 3.47Å; F142-Y189 HydrophobicContact CD1-CD1 3.47Å; F142-Y189 VanDerWaalsContact CD1-CD1 3.47Å; F142-Y189 AromaticContact CD1-CE1 3.74Å; F142-Y189 HydrophobicContact CD1-CE1 3.74Å; F142-Y189 HydrophobicContact CD2-CD1 4.44Å; F142-Y189 AromaticContact CE1-CD1 3.92Å; F142-Y189 HydrophobicContact CE1-CD1 3.92Å; F142-Y189 HydrophobicContact CE1-CE1 4.04Å; F142-Y189 AromaticContact CG-CD1 3.74Å; F142-Y189 HydrophobicContact CG-CD1 3.74Å; F142-Y189 HydrophobicContact CG-CE1 4.44Å; F142-Y189 HydrophobicContact CG-CG 4.44Å; E185-Y189 VanDerWaalsContact O-CB 3.22Å; E185-Y189 WeakPolarHBondContact O-CB 3.41Å; E185-Y189 PolarHBondContact O-N 2.99Å; S186-Y189 PolarHBondContact O-N 3.18Å; S186-Y189 VanDerWaalsContact O-N 3.09Å; L187-Y189 VanDerWaalsContact C-N 3.29Å; L187-Y189 PolarHBondContact O-N 2.92Å; Y189-R192 PolarHBondContact O-N 2.98Å; Y189-I193 HydrophobicContact CD2-CD1 4.21Å; Y189-I193 HydrophobicContact CD2-CG1 4.33Å; Y189-I193 HydrophobicContact CE1-CD1 4.18Å; Y189-I193 HydrophobicContact CE2-CD1 3.74Å; Y189-I193 HydrophobicContact CE2-CG1 4Å; Y189-I193 PolarHBondContact O-N 3.35Å
190V96.5Very high95.7Very high1 Ų149.1 Ų49.11%0.00623%0.228CC..Hα-helixtrans-62-45.7176.8165.90000111.8L14 F16 F26 L30 S186 R192 I193 Q194L14-V190 HydrophobicContact CB-CG1 3.49Å; L14-V190 VanDerWaalsContact CB-CG1 3.49Å; L14-V190 HydrophobicContact CB-CG2 4.4Å; L14-V190 HydrophobicContact CD1-CG1 4.32Å; L14-V190 HydrophobicContact CD1-CG2 4.42Å; L14-V190 WeakPolarHBondContact O-CG1 3.49Å; F16-V190 HydrophobicContact CD1-CG1 4.16Å; F16-V190 HydrophobicContact CE1-CB 4.36Å; F16-V190 HydrophobicContact CE1-CG1 3.93Å; F26-V190 HydrophobicContact CE2-CG2 3.98Å; F26-V190 HydrophobicContact CZ-CG2 3.81Å; L30-V190 HydrophobicContact CD1-CG2 4.18Å; S186-V190 PolarHBondContact O-N 3.47Å; V190-R192 VanDerWaalsContact C-N 3.26Å; V190-R192 PolarHBondContact O-N 2.86Å; V190-I193 PolarHBondContact O-N 2.97Å; V190-I193 VanDerWaalsContact O-N 3.17Å; V190-Q194 PolarHBondContact O-N 2.93Å
191L95.4Very high95.6Very high98 Ų9847.3 Ų47.351%0.51323%0.225SC..Hα-helixtrans-54.9-43.5174.2175.861.1000111.5F16 L187 Q194 E195F16-L191 HydrophobicContact CE1-CB 4.18Å; F16-L191 HydrophobicContact CZ-CB 4.08Å; F16-L191 HydrophobicContact CZ-CD1 4.25Å; L187-L191 VanDerWaalsContact O-CB 3.27Å; L187-L191 WeakPolarHBondContact O-CB 3.49Å; L187-L191 PolarHBondContact O-N 2.91Å; L191-Q194 PolarHBondContact O-N 3.5Å; L191-E195 WeakPolarHBondContact O-CB 3.46Å; L191-E195 PolarHBondContact O-N 3.02Å
192R96.2Very high95.5Very high38 Ų3849.5 Ų49.514%0.14323%0.234CC..Hα-helixtrans-71.2-31-179.2-174.756.5-179.6167.95.1113.1K130 V135 S188 Y189 V190 E195 V196K130-R192 PolarHBondContact O-NH2 3.23Å; V135-R192 HydrophobicContact CG2-CG 4.39Å; S188-R192 WeakPolarHBondContact O-CB 3.1Å; S188-R192 PolarHBondContact O-N 3.15Å; Y189-R192 PolarHBondContact O-N 2.98Å; V190-R192 VanDerWaalsContact C-N 3.26Å; V190-R192 PolarHBondContact O-N 2.86Å; R192-E195 WeakPolarHBondContact CD-OE2 3.42Å; R192-E195 IonicContact CZ-OE2 3.97Å; R192-E195 IonicContact NE-OE2 2.61Å; R192-E195 IonicContact NH1-OE1 2.86Å; R192-E195 PolarHBondContact NH1-OE1 2.69Å; R192-E195 IonicContact NH1-OE2 2.71Å; R192-E195 PolarHBondContact NH1-OE2 3.27Å; R192-V196 WeakPolarHBondContact O-CG2 3.25Å; R192-V196 PolarHBondContact O-N 3.37Å
193I96.7Very high95.5Very high0 Ų051.1 Ų51.10%024%0.242CC..Hα-helixtrans-63.2-51.6170.6-74.6173000110.1L14 L30 H33 L37 V135 Y189 V190 E195 V196 Q197L14-I193 HydrophobicContact CD1-CB 4.43Å; L14-I193 HydrophobicContact CD1-CD1 4.39Å; L14-I193 HydrophobicContact CD1-CG2 3.87Å; L30-I193 HydrophobicContact CD1-CD1 3.46Å; L30-I193 VanDerWaalsContact CD1-CD1 3.46Å; H33-I193 HydrophobicContact CB-CG2 3.79Å; L37-I193 HydrophobicContact CD1-CG1 4.18Å; L37-I193 HydrophobicContact CD1-CG2 4.16Å; V135-I193 HydrophobicContact CG1-CG1 3.81Å; Y189-I193 HydrophobicContact CD2-CD1 4.21Å; Y189-I193 HydrophobicContact CD2-CG1 4.33Å; Y189-I193 HydrophobicContact CE1-CD1 4.18Å; Y189-I193 HydrophobicContact CE2-CD1 3.74Å; Y189-I193 HydrophobicContact CE2-CG1 4Å; Y189-I193 PolarHBondContact O-N 3.35Å; V190-I193 PolarHBondContact O-N 2.97Å; V190-I193 VanDerWaalsContact O-N 3.17Å; I193-E195 PolarHBondContact O-N 3.49Å; I193-V196 PolarHBondContact O-N 3.02Å; I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.46Å
194Q94.8Very high95.5Very high64 Ų6450.6 Ų50.630%0.29924%0.238SC..Hα-helixtrans-61.9-43.1-179.5-64.7-171.917.700111.9L14 V190 L191 V196 Q197 E198L14-Q194 PolarHBondContact O-NE2 3.23Å; V190-Q194 PolarHBondContact O-N 2.93Å; L191-Q194 PolarHBondContact O-N 3.5Å; Q194-V196 VanDerWaalsContact C-N 3.28Å; Q194-V196 PolarHBondContact O-N 3.06Å; Q194-Q197 PolarHBondContact O-N 3.29Å; Q194-Q197 VanDerWaalsContact O-N 3.14Å; Q194-E198 PolarHBondContact O-N 3.34Å
195E95.1Very high95.5Very high67 Ų6748 Ų4831%0.31323%0.231SC..Hα-helixtrans-57.4-40.9176.8-164.6-153.5153.700112L191 R192 I193 R199L191-E195 WeakPolarHBondContact O-CB 3.46Å; L191-E195 PolarHBondContact O-N 3.02Å; R192-E195 WeakPolarHBondContact CD-OE2 3.42Å; R192-E195 IonicContact CZ-OE2 3.97Å; R192-E195 IonicContact NE-OE2 2.61Å; R192-E195 IonicContact NH1-OE1 2.86Å; R192-E195 PolarHBondContact NH1-OE1 2.69Å; R192-E195 IonicContact NH1-OE2 2.71Å; R192-E195 PolarHBondContact NH1-OE2 3.27Å; I193-E195 PolarHBondContact O-N 3.49Å; E195-R199 WeakPolarHBondContact O-CB 3.46Å; E195-R199 VanDerWaalsContact O-CG 3.26Å; E195-R199 WeakPolarHBondContact O-CG 3.47Å; E195-R199 PolarHBondContact O-N 2.91Å; E195-R199 IonicContact OE1-CZ 3.02Å; E195-R199 IonicContact OE1-NE 2.82Å; E195-R199 PolarHBondContact OE1-NE 3.47Å; E195-R199 IonicContact OE1-NH2 2.69Å; E195-R199 PolarHBondContact OE1-NH2 3.35Å
196V96.3Very high95.4Very high0 Ų052.2 Ų52.20%025%0.251CS..Hα-helixtrans-71.8-36.9177.5173.70000111.6L37 Q131 I132 V135 R192 I193 Q194 E198 R199 I200L37-V196 HydrophobicContact CD2-CG1 3.77Å; Q131-V196 HydrophobicContact CB-CG1 4.48Å; Q131-V196 HydrophobicContact CB-CG2 4.27Å; I132-V196 HydrophobicContact CG1-CG1 3.9Å; V135-V196 HydrophobicContact CG2-CB 4.29Å; V135-V196 HydrophobicContact CG2-CG2 3.8Å; R192-V196 WeakPolarHBondContact O-CG2 3.25Å; R192-V196 PolarHBondContact O-N 3.37Å; I193-V196 PolarHBondContact O-N 3.02Å; Q194-V196 VanDerWaalsContact C-N 3.28Å; Q194-V196 PolarHBondContact O-N 3.06Å; V196-E198 VanDerWaalsContact C-N 3.35Å; V196-E198 PolarHBondContact O-N 2.96Å; V196-R199 PolarHBondContact O-N 3.27Å; V196-I200 HydrophobicContact CG1-CD1 4.43Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.07Å
197Q93Very high95.4Very high36 Ų3653.2 Ų53.217%0.16826%0.256CS..Hα-helixtrans-61.9-39.4173.5-69.2-71.78.700112.3I193 Q194I193-Q197 WeakPolarHBondContact O-CG 3.37Å; I193-Q197 PolarHBondContact O-N 3.46Å; Q194-Q197 PolarHBondContact O-N 3.29Å; Q194-Q197 VanDerWaalsContact O-N 3.14Å
198E93.9Very high95.3Very high98 Ų9853 Ų5346%0.45826%0.255SS..Hα-helixtrans-69-43.4173-65.6-50.6130.100112Q194 V196 I200 K201 F202Q194-E198 PolarHBondContact O-N 3.34Å; V196-E198 VanDerWaalsContact C-N 3.35Å; V196-E198 PolarHBondContact O-N 2.96Å; E198-I200 PolarHBondContact O-N 3.06Å; E198-K201 WeakPolarHBondContact O-CB 3.47Å; E198-K201 PolarHBondContact O-N 3.43Å; E198-K201 WeakPolarHBondContact OE1-CE 3.38Å; E198-K201 IonicContact OE1-NZ 2.97Å; E198-K201 PolarHBondContact OE1-NZ 3.39Å; E198-K201 WeakPolarHBondContact OE2-CD 3.37Å; E198-K201 WeakPolarHBondContact OE2-CE 3.45Å; E198-K201 IonicContact OE2-NZ 2.79Å; E198-K201 PolarHBondContact OE2-NZ 3.48Å; E198-F202 WeakPolarHBondContact O-CD1 3.39Å; E198-F202 WeakPolarHBondContact O-CE1 3.37Å
199R96.4Very high95.2Very high67 Ų6756 Ų5625%0.25327%0.266SS..Hα-helixtrans-59.1-31.3177-75.5175.2-178.1-78.6-3113.5F127 E195 V196 K201 F202 E203 F204F127-R199 HydrophobicContact CE2-CB 4.06Å; F127-R199 HydrophobicContact CZ-CB 4.41Å; E195-R199 WeakPolarHBondContact O-CB 3.46Å; E195-R199 VanDerWaalsContact O-CG 3.26Å; E195-R199 WeakPolarHBondContact O-CG 3.47Å; E195-R199 PolarHBondContact O-N 2.91Å; E195-R199 IonicContact OE1-CZ 3.02Å; E195-R199 IonicContact OE1-NE 2.82Å; E195-R199 PolarHBondContact OE1-NE 3.47Å; E195-R199 IonicContact OE1-NH2 2.69Å; E195-R199 PolarHBondContact OE1-NH2 3.35Å; V196-R199 PolarHBondContact O-N 3.27Å; R199-K201 PolarHBondContact O-N 3.43Å; R199-F202 HydrophobicContact CB-CZ 4.39Å; R199-F202 HydrophobicContact CG-CE1 4.3Å; R199-F202 HydrophobicContact CG-CZ 3.83Å; R199-F202 PolarHBondContact O-N 2.74Å; R199-E203 HydrophobicContact CB-CB 4.4Å; R199-E203 WeakPolarHBondContact CD-OE2 3.43Å; R199-E203 WeakPolarHBondContact CG-OE2 3.42Å; R199-E203 IonicContact CZ-OE2 2.71Å; R199-E203 IonicContact NE-OE2 3.39Å; R199-E203 IonicContact NH1-OE2 3.77Å; R199-E203 PolarHBondContact NH1-OE2 3.35Å; R199-E203 WeakPolarHBondContact O-CB 3.31Å; R199-E203 PolarHBondContact O-N 3.24Å; R199-F204 PolarHBondContact O-N 3.4Å
200I94.8Very high94.9Very high30 Ų3058.4 Ų58.415%0.15429%0.286CS..Hα-helixtrans-59.6-31.1173.7-71162.8000111.6L37 T40 F127 V196 E198 F204L37-I200 HydrophobicContact CD2-CD1 4.04Å; T40-I200 HydrophobicContact CG2-CD1 4.05Å; F127-I200 HydrophobicContact CE1-CG1 4Å; F127-I200 HydrophobicContact CZ-CB 4.45Å; F127-I200 HydrophobicContact CZ-CG1 3.74Å; V196-I200 HydrophobicContact CG1-CD1 4.43Å; V196-I200 WeakPolarHBondContact O-CG1 3.43Å; V196-I200 PolarHBondContact O-N 3.07Å; E198-I200 PolarHBondContact O-N 3.06Å; I200-F204 HydrophobicContact CG2-CD1 4.49Å
201K93.3Very high94.8Very high130 Ų13059.4 Ų59.457%0.56529%0.291SS*.Hα-helixtrans-76.5-26.2-176.1-54.4177.7-165.4167.70114E198 R199 V205E198-K201 WeakPolarHBondContact O-CB 3.47Å; E198-K201 PolarHBondContact O-N 3.43Å; E198-K201 WeakPolarHBondContact OE1-CE 3.38Å; E198-K201 IonicContact OE1-NZ 2.97Å; E198-K201 PolarHBondContact OE1-NZ 3.39Å; E198-K201 WeakPolarHBondContact OE2-CD 3.37Å; E198-K201 WeakPolarHBondContact OE2-CE 3.45Å; E198-K201 IonicContact OE2-NZ 2.79Å; E198-K201 PolarHBondContact OE2-NZ 3.48Å; R199-K201 PolarHBondContact O-N 3.43Å; K201-V205 WeakPolarHBondContact O-CG2 3.48Å
202F95.5Very high94.7Very high99 Ų9959.2 Ų59.243%0.43429%0.289SS..THydrogen-bonded Turntrans-119.9-63.6-179.563.9-88.3000112.4E198 R199 F204 V205 E206E198-F202 WeakPolarHBondContact O-CD1 3.39Å; E198-F202 WeakPolarHBondContact O-CE1 3.37Å; R199-F202 HydrophobicContact CB-CZ 4.39Å; R199-F202 HydrophobicContact CG-CE1 4.3Å; R199-F202 HydrophobicContact CG-CZ 3.83Å; R199-F202 PolarHBondContact O-N 2.74Å; F202-F204 PolarHBondContact O-N 3.43Å; F202-V205 CarbonylContact O-C 3.55Å; F202-V205 PolarHBondContact O-N 3.3Å; F202-E206 WeakPolarHBondContact O-CB 3.41Å; F202-E206 WeakPolarHBondContact O-CG 3.25Å; F202-E206 PolarHBondContact O-N 2.91Å
203E95.1Very high94.5Very high42 Ų4260 Ų6020%0.19630%0.3CS..Hα-helixtrans-58.8-42.1-171.4-172.8-177.2150.700112.4F127 Q131 R199 I207F127-E203 HydrophobicContact CD2-CB 4.25Å; F127-E203 HydrophobicContact CD2-CG 3.84Å; F127-E203 WeakPolarHBondContact CD2-OE1 3.39Å; F127-E203 HydrophobicContact CE2-CB 3.93Å; F127-E203 HydrophobicContact CE2-CG 4Å; Q131-E203 PolarHBondContact NE2-OE1 2.98Å; Q131-E203 PolarHBondContact NE2-OE2 2.91Å; R199-E203 HydrophobicContact CB-CB 4.4Å; R199-E203 WeakPolarHBondContact CD-OE2 3.43Å; R199-E203 WeakPolarHBondContact CG-OE2 3.42Å; R199-E203 IonicContact CZ-OE2 2.71Å; R199-E203 IonicContact NE-OE2 3.39Å; R199-E203 IonicContact NH1-OE2 3.77Å; R199-E203 PolarHBondContact NH1-OE2 3.35Å; R199-E203 WeakPolarHBondContact O-CB 3.31Å; R199-E203 PolarHBondContact O-N 3.24Å; E203-I207 VanDerWaalsContact O-CD1 3.31Å; E203-I207 WeakPolarHBondContact O-CD1 3.33Å; E203-I207 VanDerWaalsContact O-CG1 3.28Å; E203-I207 WeakPolarHBondContact O-CG1 3.5Å; E203-I207 PolarHBondContact O-N 2.7Å
204F94.8Very high94.3Very high28 Ų2861.3 Ų61.312%0.12331%0.314CS..Hα-helixtrans-71.2-37.8174.3169.5-109.5000113.3I44 I47 L124 F127 R199 I200 F202 L208I44-F204 HydrophobicContact CD1-CD2 3.88Å; I44-F204 HydrophobicContact CD1-CE2 3.8Å; I44-F204 HydrophobicContact CD1-CG 4.47Å; I44-F204 HydrophobicContact CD1-CZ 4.33Å; I44-F204 HydrophobicContact CG1-CD2 4.29Å; I44-F204 HydrophobicContact CG1-CE2 3.68Å; I44-F204 HydrophobicContact CG1-CZ 4.01Å; I44-F204 HydrophobicContact CG2-CE2 4.46Å; I47-F204 HydrophobicContact CD1-CZ 4.07Å; L124-F204 HydrophobicContact CD2-CD2 3.81Å; L124-F204 HydrophobicContact CD2-CE2 3.75Å; F127-F204 HydrophobicContact CD1-CB 4.2Å; F127-F204 HydrophobicContact CD1-CD2 4.36Å; F127-F204 HydrophobicContact CD2-CB 4.45Å; F127-F204 HydrophobicContact CE1-CB 3.83Å; F127-F204 HydrophobicContact CE1-CG 4.39Å; F127-F204 HydrophobicContact CE2-CB 4.1Å; F127-F204 HydrophobicContact CZ-CB 3.79Å; R199-F204 PolarHBondContact O-N 3.4Å; I200-F204 HydrophobicContact CG2-CD1 4.49Å; F202-F204 PolarHBondContact O-N 3.43Å; F204-L208 HydrophobicContact CE1-CD1 3.9Å; F204-L208 HydrophobicContact CE2-CD1 4.07Å; F204-L208 HydrophobicContact CE2-CG 4.37Å; F204-L208 HydrophobicContact CZ-CD1 3.59Å; F204-L208 HydrophobicContact CZ-CG 4.37Å; F204-L208 PolarHBondContact O-N 3.04Å
205V95.6Very high94.1Very high72 Ų7259.7 Ų59.744%0.43631%0.305SS..Hα-helixtrans-71.1-38.3-179.4177.40000111.3K201 F202 I207 L208 L209K201-V205 WeakPolarHBondContact O-CG2 3.48Å; F202-V205 CarbonylContact O-C 3.55Å; F202-V205 PolarHBondContact O-N 3.3Å; V205-I207 VanDerWaalsContact C-N 3.33Å; V205-I207 PolarHBondContact O-N 2.86Å; V205-L208 PolarHBondContact O-N 3.31Å; V205-L209 WeakPolarHBondContact O-CB 3.42Å; V205-L209 PolarHBondContact O-N 3.4Å
206E95.4Very high94.1Very high124 Ų12461.9 Ų61.958%0.57932%0.318SS*.Hα-helixtrans-61.9-38.5176.3-74.8178.9143.300111.8F202 L209 A210F202-E206 WeakPolarHBondContact O-CB 3.41Å; F202-E206 WeakPolarHBondContact O-CG 3.25Å; F202-E206 PolarHBondContact O-N 2.91Å; E206-L209 PolarHBondContact O-N 2.99Å; E206-A210 WeakPolarHBondContact O-CB 3.27Å; E206-A210 PolarHBondContact O-N 3.28Å
207I94.7Very high94Very high21 Ų2166 Ų6611%0.10834%0.344CS..Hα-helixtrans-63.3-45.4174.9-62.1160.1000110.7I120 L124 F127 E203 V205 A210 F211I120-I207 HydrophobicContact CD1-CG2 4.42Å; I120-I207 WeakPolarHBondContact CD1-O 3.49Å; I120-I207 HydrophobicContact CG2-CG2 4.24Å; L124-I207 HydrophobicContact CD2-CB 4.28Å; L124-I207 HydrophobicContact CD2-CD1 4.49Å; L124-I207 HydrophobicContact CD2-CG2 3.77Å; L124-I207 HydrophobicContact CG-CG2 3.76Å; F127-I207 HydrophobicContact CB-CD1 4.36Å; E203-I207 VanDerWaalsContact O-CD1 3.31Å; E203-I207 WeakPolarHBondContact O-CD1 3.33Å; E203-I207 VanDerWaalsContact O-CG1 3.28Å; E203-I207 WeakPolarHBondContact O-CG1 3.5Å; E203-I207 PolarHBondContact O-N 2.7Å; V205-I207 VanDerWaalsContact C-N 3.33Å; V205-I207 PolarHBondContact O-N 2.86Å; I207-A210 PolarHBondContact O-N 3.43Å; I207-F211 PolarHBondContact O-N 3.06Å
208L94.3Very high94Very high50 Ų5064.7 Ų64.726%0.26234%0.337SS..Hα-helixtrans-69-37.3177.7-65-177.5000112.5I47 L124 F204 V205 A210 F211 I212I47-L208 HydrophobicContact CG2-CD2 4.32Å; L124-L208 HydrophobicContact CD1-CD2 4.33Å; L124-L208 HydrophobicContact CD2-CD2 4.32Å; F204-L208 HydrophobicContact CE1-CD1 3.9Å; F204-L208 HydrophobicContact CE2-CD1 4.07Å; F204-L208 HydrophobicContact CE2-CG 4.37Å; F204-L208 HydrophobicContact CZ-CD1 3.59Å; F204-L208 HydrophobicContact CZ-CG 4.37Å; F204-L208 PolarHBondContact O-N 3.04Å; V205-L208 PolarHBondContact O-N 3.31Å; L208-A210 VanDerWaalsContact C-N 3.34Å; L208-A210 PolarHBondContact O-N 3.45Å; L208-F211 WeakPolarHBondContact O-CB 3.03Å; L208-F211 PolarHBondContact O-N 3.32Å; L208-I212 WeakPolarHBondContact O-CG1 3.42Å; L208-I212 PolarHBondContact O-N 2.65Å; L208-I212 VanDerWaalsContact O-N 3.1Å
209L94Very high94.1Very high109 Ų10966.6 Ų66.657%0.57134%0.341SS*.Hα-helixtrans-61.8-41.6174.9-179.461.7000111.3V205 E206 S213V205-L209 WeakPolarHBondContact O-CB 3.42Å; V205-L209 PolarHBondContact O-N 3.4Å; E206-L209 PolarHBondContact O-N 2.99Å; L209-S213 WeakPolarHBondContact O-CB 3.39Å; L209-S213 PolarHBondContact O-N 2.76Å; L209-S213 PolarHBondContact O-OG 3.07Å
210A92.3Very high94Very high52 Ų5268.7 Ų68.743%0.4335%0.354SS..Hα-helixtrans-62.2-40.5174.700000112.3I120 E206 I207 L208 S213 G214I120-A210 HydrophobicContact CD1-CB 4.07Å; E206-A210 WeakPolarHBondContact O-CB 3.27Å; E206-A210 PolarHBondContact O-N 3.28Å; I207-A210 PolarHBondContact O-N 3.43Å; L208-A210 VanDerWaalsContact C-N 3.34Å; L208-A210 PolarHBondContact O-N 3.45Å; A210-S213 PolarHBondContact O-N 2.91Å; A210-G214 PolarHBondContact O-N 2.91Å; A210-G214 VanDerWaalsContact O-N 3.07Å
211F92.5Very high93.9Very high23 Ų2369.2 Ų69.210%0.10136%0.358CS..Hα-helixtrans-61.6-51.5176.9-177.1-127.1000112V51 L54 I120 I207 L208 S213 G214 W215V51-F211 HydrophobicContact CG1-CE2 4.38Å; V51-F211 HydrophobicContact CG1-CZ 4.18Å; V51-F211 HydrophobicContact CG2-CE1 4.19Å; V51-F211 HydrophobicContact CG2-CZ 4.45Å; L54-F211 HydrophobicContact CD2-CE1 4.32Å; L54-F211 HydrophobicContact CD2-CZ 3.93Å; I120-F211 HydrophobicContact CB-CD2 4.44Å; I120-F211 HydrophobicContact CD1-CB 3.73Å; I120-F211 HydrophobicContact CG1-CB 3.95Å; I120-F211 HydrophobicContact CG1-CD2 3.89Å; I120-F211 HydrophobicContact CG1-CG 4.31Å; I120-F211 HydrophobicContact CG2-CB 3.96Å; I120-F211 HydrophobicContact CG2-CD2 4.12Å; I120-F211 HydrophobicContact CG2-CG 4.08Å; I207-F211 PolarHBondContact O-N 3.06Å; L208-F211 WeakPolarHBondContact O-CB 3.03Å; L208-F211 PolarHBondContact O-N 3.32Å; F211-S213 VanDerWaalsContact C-N 3.31Å; F211-S213 PolarHBondContact O-N 2.78Å; F211-G214 PolarHBondContact O-N 3.43Å; F211-W215 AromaticContact CD2-NE1 3.84Å; F211-W215 AromaticContact CE1-NE1 3.9Å; F211-W215 AromaticContact CE2-CD1 3.86Å; F211-W215 AromaticContact CE2-NE1 3.19Å; F211-W215 AromaticContact CZ-CD1 3.98Å; F211-W215 AromaticContact CZ-NE1 3.23Å; F211-W215 PolarHBondContact O-N 2.94Å
212I93.4Very high94Very high93 Ų9364.1 Ų64.148%0.47734%0.341SS..Hα-helixtrans-62.9-39.6179-61.5-59.7000111.1L208 G214 W215 L216L208-I212 WeakPolarHBondContact O-CG1 3.42Å; L208-I212 PolarHBondContact O-N 2.65Å; L208-I212 VanDerWaalsContact O-N 3.1Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 3.31Å; I212-W215 PolarHBondContact O-N 3.44Å; I212-L216 HydrophobicContact CG2-CD1 4.01Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CG 3.42Å; I212-L216 PolarHBondContact O-N 3.46Å
213S92.5Very high94Very high54 Ų5464.8 Ų64.838%0.37835%0.345SS..Hα-helixtrans-59.7-40.8176.7-57.70000112.2L209 A210 F211 L216 V217L209-S213 WeakPolarHBondContact O-CB 3.39Å; L209-S213 PolarHBondContact O-N 2.76Å; L209-S213 PolarHBondContact O-OG 3.07Å; A210-S213 PolarHBondContact O-N 2.91Å; F211-S213 VanDerWaalsContact C-N 3.31Å; F211-S213 PolarHBondContact O-N 2.78Å; S213-L216 PolarHBondContact O-N 3.42Å; S213-V217 WeakPolarHBondContact O-CG2 3.44Å; S213-V217 PolarHBondContact O-N 3.02Å
214G92Very high94Very high28 Ų2867 Ų6729%0.28936%0.355SS..Hα-helixtrans-60.8-44.7176.800000113.2A210 F211 I212 V217 F218A210-G214 PolarHBondContact O-N 2.91Å; A210-G214 VanDerWaalsContact O-N 3.07Å; F211-G214 PolarHBondContact O-N 3.43Å; I212-G214 VanDerWaalsContact C-N 3.32Å; I212-G214 PolarHBondContact O-N 3.31Å; G214-V217 PolarHBondContact O-N 3.32Å; G214-F218 PolarHBondContact O-N 3.4Å; G214-F218 VanDerWaalsContact O-N 3.07Å
215W92.4Very high93.8Very high30 Ų3067.5 Ų67.511%0.11436%0.358CS..Hα-helixtrans-64.4-41.6175.8-76.499.9000112.7L54 A58 M112 F211 I212 V217 F218 Y219L54-W215 HydrophobicContact CD1-CZ2 4.41Å; L54-W215 HydrophobicContact CD2-CZ2 4.38Å; L54-W215 HydrophobicContact CG-CZ2 4.29Å; A58-W215 HydrophobicContact CB-CH2 4.05Å; M112-W215 HydrophobicContact CE-CD2 3.88Å; M112-W215 HydrophobicContact CE-CE3 3.71Å; M112-W215 HydrophobicContact CE-CH2 3.74Å; M112-W215 HydrophobicContact CE-CZ2 3.88Å; M112-W215 HydrophobicContact CE-CZ3 3.65Å; M112-W215 HydrophobicContact SD-CB 4.47Å; M112-W215 HydrophobicContact SD-CD2 3.78Å; M112-W215 HydrophobicContact SD-CE3 3.93Å; M112-W215 HydrophobicContact SD-CG 4.04Å; M112-W215 HydrophobicContact SD-CZ3 4.48Å; F211-W215 AromaticContact CD2-NE1 3.84Å; F211-W215 AromaticContact CE1-NE1 3.9Å; F211-W215 AromaticContact CE2-CD1 3.86Å; F211-W215 AromaticContact CE2-NE1 3.19Å; F211-W215 AromaticContact CZ-CD1 3.98Å; F211-W215 AromaticContact CZ-NE1 3.23Å; F211-W215 PolarHBondContact O-N 2.94Å; I212-W215 PolarHBondContact O-N 3.44Å; W215-V217 VanDerWaalsContact C-N 3.34Å; W215-V217 PolarHBondContact O-N 3.41Å; W215-F218 HydrophobicContact CE3-CD1 4.28Å; W215-F218 PolarHBondContact O-N 3.07Å; W215-Y219 HydrophobicContact CB-CD2 4.46Å; W215-Y219 HydrophobicContact CB-CE2 4.22Å; W215-Y219 HydrophobicContact CE3-CE2 4Å; W215-Y219 WeakPolarHBondContact O-CD2 3.48Å; W215-Y219 PolarHBondContact O-N 3.21Å
216L94.5Very high93.6Very high113 Ų11366.4 Ų66.459%0.59236%0.356SS*.Hα-helixtrans-63.9-38178.3-69.4173.2000112.4I212 S213 H220I212-L216 HydrophobicContact CG2-CD1 4.01Å; I212-L216 HydrophobicContact CG2-CG 4.38Å; I212-L216 WeakPolarHBondContact O-CG 3.42Å; I212-L216 PolarHBondContact O-N 3.46Å; S213-L216 PolarHBondContact O-N 3.42Å; L216-H220 WeakPolarHBondContact O-CB 3.11Å; L216-H220 PolarHBondContact O-N 3.06Å
217V93.1Very high93.5Very high87 Ų8764.5 Ų64.553%0.52735%0.347SS..Hα-helixtrans-64.3-46.6172.9171.50000111S213 G214 W215 Y219 H220 T221S213-V217 WeakPolarHBondContact O-CG2 3.44Å; S213-V217 PolarHBondContact O-N 3.02Å; G214-V217 PolarHBondContact O-N 3.32Å; W215-V217 VanDerWaalsContact C-N 3.34Å; W215-V217 PolarHBondContact O-N 3.41Å; V217-Y219 PolarHBondContact O-N 3.19Å; V217-H220 WeakPolarHBondContact O-CB 3.34Å; V217-H220 PolarHBondContact O-N 2.96Å; V217-T221 PolarHBondContact O-N 3.47Å; V217-T221 PolarHBondContact O-OG1 3.47Å
218F94.2Very high93.5Very high8 Ų869.1 Ų69.14%0.03537%0.372CS..Hα-helixtrans-57.1-45.9176.3165.4-102.8000112.4I105 E108 R109 M112 G214 W215 H220 T221 A222I105-F218 HydrophobicContact CG2-CE2 4.27Å; I105-F218 HydrophobicContact CG2-CZ 4.43Å; E108-F218 HydrophobicContact CB-CD2 4.4Å; R109-F218 HydrophobicContact CB-CD2 4.09Å; R109-F218 HydrophobicContact CB-CE2 3.58Å; R109-F218 HydrophobicContact CB-CZ 4.11Å; R109-F218 HydrophobicContact CG-CD2 4.36Å; R109-F218 HydrophobicContact CG-CE2 3.93Å; R109-F218 HydrophobicContact CG-CZ 4.03Å; M112-F218 HydrophobicContact CE-CG 4.39Å; M112-F218 HydrophobicContact SD-CB 3.62Å; M112-F218 HydrophobicContact SD-CD1 4.49Å; M112-F218 HydrophobicContact SD-CG 4.12Å; G214-F218 PolarHBondContact O-N 3.4Å; G214-F218 VanDerWaalsContact O-N 3.07Å; W215-F218 HydrophobicContact CE3-CD1 4.28Å; W215-F218 PolarHBondContact O-N 3.07Å; F218-H220 PolarHBondContact O-N 3.07Å; F218-T221 PolarHBondContact O-N 3.41Å; F218-A222 WeakPolarHBondContact O-CB 3.4Å; F218-A222 PolarHBondContact O-N 3Å
219Y95.2Very high93.5Very high139 Ų13969.2 Ų69.255%0.54537%0.371SS..Hα-helixtrans-65.4-35.8177.8-70.9-58.7000112.9W215 V217 H223W215-Y219 HydrophobicContact CB-CD2 4.46Å; W215-Y219 HydrophobicContact CB-CE2 4.22Å; W215-Y219 HydrophobicContact CE3-CE2 4Å; W215-Y219 WeakPolarHBondContact O-CD2 3.48Å; W215-Y219 PolarHBondContact O-N 3.21Å; V217-Y219 PolarHBondContact O-N 3.19Å; Y219-H223 PolarHBondContact O-N 3.43Å; Y219-H223 VanDerWaalsContact O-N 3.12Å
220H95.3Very high93.5Very high111 Ų11170.5 Ų70.551%0.51437%0.368SS..Hα-helixtrans-63-52.5174.7-170.2-78000111.4L216 V217 F218 A222 H223 E224L216-H220 WeakPolarHBondContact O-CB 3.11Å; L216-H220 PolarHBondContact O-N 3.06Å; V217-H220 WeakPolarHBondContact O-CB 3.34Å; V217-H220 PolarHBondContact O-N 2.96Å; F218-H220 PolarHBondContact O-N 3.07Å; H220-A222 VanDerWaalsContact C-N 3.32Å; H220-A222 PolarHBondContact O-N 3.28Å; H220-H223 WeakPolarHBondContact O-CB 3.5Å; H220-H223 PolarHBondContact O-N 3.42Å; H220-E224 IonicContact CE1-OE1 2.64Å; H220-E224 PolarHBondContact CE1-OE1 2.8Å; H220-E224 VanDerWaalsContact CE1-OE1 3.28Å; H220-E224 IonicContact CE1-OE2 2.71Å; H220-E224 PolarHBondContact CE1-OE2 3.26Å; H220-E224 IonicContact CG-OE2 3.88Å; H220-E224 IonicContact ND1-OE1 2.71Å; H220-E224 IonicContact ND1-OE2 3.67Å; H220-E224 PolarHBondContact ND1-OE2 3.12Å; H220-E224 PolarHBondContact O-N 3.21Å
221T93.1Very high93.6Very high41 Ų4173.6 Ų73.625%0.25238%0.378SS..Hα-helixtrans-66.3-32.7-179.2-59.20000112.7E108 V217 F218 H223 E224 Q225E108-T221 HydrophobicContact CG-CG2 4.15Å; V217-T221 PolarHBondContact O-N 3.47Å; V217-T221 PolarHBondContact O-OG1 3.47Å; F218-T221 PolarHBondContact O-N 3.41Å; T221-H223 VanDerWaalsContact C-N 3.33Å; T221-E224 WeakPolarHBondContact CA-OE2 3.33Å; T221-E224 PolarHBondContact O-N 3.47Å; T221-Q225 WeakPolarHBondContact O-CG 3.22Å; T221-Q225 PolarHBondContact O-N 2.91Å
222A94.5Very high93.7Very high23 Ų2375.2 Ų75.219%0.1938%0.384CS..Hα-helixtrans-65.6-33.9171.400000112.8I105 F218 H220 A226I105-A222 HydrophobicContact CG2-CB 4.11Å; F218-A222 WeakPolarHBondContact O-CB 3.4Å; F218-A222 PolarHBondContact O-N 3Å; H220-A222 VanDerWaalsContact C-N 3.32Å; H220-A222 PolarHBondContact O-N 3.28Å; A222-A226 PolarHBondContact O-N 3.2Å
223H95.4Very high93.8Very high112 Ų11274.3 Ų74.352%0.51938%0.379SS..Hα-helixtrans-73.1-41.3174176.645.5000112.3Y219 H220 T221 Q225 A226 E227Y219-H223 PolarHBondContact O-N 3.43Å; Y219-H223 VanDerWaalsContact O-N 3.12Å; H220-H223 WeakPolarHBondContact O-CB 3.5Å; H220-H223 PolarHBondContact O-N 3.42Å; T221-H223 VanDerWaalsContact C-N 3.33Å; H223-Q225 VanDerWaalsContact C-N 3.34Å; H223-Q225 PolarHBondContact O-N 2.86Å; H223-A226 WeakPolarHBondContact O-CB 3.4Å; H223-A226 PolarHBondContact O-N 3.34Å; H223-E227 PolarHBondContact O-N 3.12Å
224E94.3Very high93.9Very high89 Ų8975.8 Ų75.842%0.41638%0.38SS..Hα-helixtrans-56.9-46.4173.7-70.4171.4120.900111.2H220 T221 A226 E227 D228H220-E224 IonicContact CE1-OE1 2.64Å; H220-E224 PolarHBondContact CE1-OE1 2.8Å; H220-E224 VanDerWaalsContact CE1-OE1 3.28Å; H220-E224 IonicContact CE1-OE2 2.71Å; H220-E224 PolarHBondContact CE1-OE2 3.26Å; H220-E224 IonicContact CG-OE2 3.88Å; H220-E224 IonicContact ND1-OE1 2.71Å; H220-E224 IonicContact ND1-OE2 3.67Å; H220-E224 PolarHBondContact ND1-OE2 3.12Å; H220-E224 PolarHBondContact O-N 3.21Å; T221-E224 WeakPolarHBondContact CA-OE2 3.33Å; T221-E224 PolarHBondContact O-N 3.47Å; E224-A226 PolarHBondContact O-N 3.3Å; E224-E227 PolarHBondContact O-N 3.13Å; E224-D228 WeakPolarHBondContact O-CB 3.35Å; E224-D228 PolarHBondContact O-N 3.41Å
225Q91.7Very high94.1Very high39 Ų3977.5 Ų77.518%0.18238%0.383CS..Hα-helixtrans-63.8-23.5174.7-69.5-67.5-91.900114.1N104 I105 T221 H223 D228 H229N104-Q225 PolarHBondContact ND2-OE1 2.98Å; I105-Q225 HydrophobicContact CD1-CB 4.34Å; I105-Q225 HydrophobicContact CG1-CB 4.02Å; I105-Q225 HydrophobicContact CG1-CG 4.42Å; T221-Q225 WeakPolarHBondContact O-CG 3.22Å; T221-Q225 PolarHBondContact O-N 2.91Å; H223-Q225 VanDerWaalsContact C-N 3.34Å; H223-Q225 PolarHBondContact O-N 2.86Å; Q225-D228 PolarHBondContact NE2-OD2 2.88Å; Q225-H229 PolarHBondContact O-CD2 3.47Å
226A91.3Very high94.2Very high48 Ų4876.5 Ų76.540%0.39738%0.38SS..Hα-helixtrans-78.2-44.6175.200000111.7A222 H223 E224 H229 R230A222-A226 PolarHBondContact O-N 3.2Å; H223-A226 WeakPolarHBondContact O-CB 3.4Å; H223-A226 PolarHBondContact O-N 3.34Å; E224-A226 PolarHBondContact O-N 3.3Å; A226-H229 PolarHBondContact O-N 2.99Å; A226-R230 PolarHBondContact O-N 3.39Å
227E93.5Very high94.3Very high84 Ų8479.3 Ų79.339%0.39338%0.382SS..Hα-helixtrans-67.5-40.2177.2-71.2-61.6119.800112.1H223 E224 H229 R230H223-E227 PolarHBondContact O-N 3.12Å; E224-E227 PolarHBondContact O-N 3.13Å; E227-H229 PolarHBondContact O-N 2.62Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.4Å; E227-R230 IonicContact OE2-CZ 2.64Å; E227-R230 IonicContact OE2-NE 2.67Å; E227-R230 IonicContact OE2-NH1 3.04Å; E227-R230 PolarHBondContact OE2-NH1 3.5Å
228D94.3Very high94.2Very high118 Ų11880.8 Ų80.863%0.63138%0.383SS*.THydrogen-bonded Turntrans-54.1-22174.1-85.3-18.2000113.6E224 Q225E224-D228 WeakPolarHBondContact O-CB 3.35Å; E224-D228 PolarHBondContact O-N 3.41Å; Q225-D228 PolarHBondContact NE2-OD2 2.88Å
229H93.6Very high94.2Very high52 Ų5282.4 Ų82.424%0.24139%0.39CS..THydrogen-bonded Turntrans-114.6-0.1-178-66.4-37.6000114.3I101 Q225 A226 E227 D231 Y232 L233I101-H229 HydrophobicContact CD1-CB 3.99Å; I101-H229 VanDerWaalsContact CG1-CD2 3.43Å; I101-H229 WeakPolarHBondContact CG1-CD2 3.32Å; Q225-H229 PolarHBondContact O-CD2 3.47Å; A226-H229 PolarHBondContact O-N 2.99Å; E227-H229 PolarHBondContact O-N 2.62Å; H229-D231 PolarHBondContact O-N 2.69Å; H229-Y232 PolarHBondContact O-N 2.96Å; H229-L233 WeakPolarHBondContact O-CG 3.44Å; H229-L233 PolarHBondContact O-N 3.39Å
230R94.5Very high94.1Very high136 Ų13678.5 Ų78.551%0.51338%0.381SS..Hα-helixtrans-58.9-46.1-174.7-163.7-174.574.9-172.18.3113.1A226 E227 Y232 L233 Q234A226-R230 PolarHBondContact O-N 3.39Å; E227-R230 WeakPolarHBondContact O-CB 3.48Å; E227-R230 PolarHBondContact O-N 3.4Å; E227-R230 IonicContact OE2-CZ 2.64Å; E227-R230 IonicContact OE2-NE 2.67Å; E227-R230 IonicContact OE2-NH1 3.04Å; E227-R230 PolarHBondContact OE2-NH1 3.5Å; R230-Y232 PolarHBondContact O-N 2.81Å; R230-L233 PolarHBondContact O-N 3.05Å; R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 3.23Å
231D94.5Very high94Very high118 Ų11876.7 Ų76.763%0.63137%0.372SS*.Hα-helixtrans-69.5-33.3-178.8-70.6-6.3000112H229 Q234 D235H229-D231 PolarHBondContact O-N 2.69Å; D231-Q234 PolarHBondContact O-N 3.12Å; D231-D235 WeakPolarHBondContact O-CB 3.38Å; D231-D235 PolarHBondContact O-N 3.33Å
232Y95.3Very high93.7Very high57 Ų5777.6 Ų77.622%0.22437%0.373CS..Hα-helixtrans-65.5-45.6172.5168-106.4000111.8S94 R97 H229 R230 Q234 D235 L236S94-Y232 WeakPolarHBondContact CA-OH 3.39Å; S94-Y232 WeakPolarHBondContact CB-OH 3.47Å; R97-Y232 HydrophobicContact CB-CE1 3.85Å; R97-Y232 HydrophobicContact CG-CE1 4.32Å; H229-Y232 PolarHBondContact O-N 2.96Å; R230-Y232 PolarHBondContact O-N 2.81Å; Y232-Q234 VanDerWaalsContact C-N 3.25Å; Y232-Q234 PolarHBondContact O-N 3.14Å; Y232-D235 PolarHBondContact O-N 3.06Å; Y232-L236 HydrophobicContact CE1-CD2 4.4Å; Y232-L236 VanDerWaalsContact O-CB 3.32Å; Y232-L236 WeakPolarHBondContact O-CB 3.43Å; Y232-L236 PolarHBondContact O-N 3.31Å
233L95Very high93.4Very high73 Ų7378.2 Ų78.238%0.38237%0.374SS..Hα-helixtrans-62.3-35.6176.5-66.7173.9000111.5F98 H229 R230 R237F98-L233 HydrophobicContact CD1-CD2 4.35Å; F98-L233 HydrophobicContact CE1-CD2 3.74Å; H229-L233 WeakPolarHBondContact O-CG 3.44Å; H229-L233 PolarHBondContact O-N 3.39Å; R230-L233 PolarHBondContact O-N 3.05Å; L233-R237 PolarHBondContact O-N 3.3Å
234Q95.1Very high93.2Very high85 Ų8579.5 Ų79.540%0.39738%0.375SS..Hα-helixtrans-74.6-39.9177.6-172.364.6-9.300112.9R230 D231 Y232 R237 H238R230-Q234 WeakPolarHBondContact O-CB 3.49Å; R230-Q234 PolarHBondContact O-N 3.23Å; D231-Q234 PolarHBondContact O-N 3.12Å; Y232-Q234 VanDerWaalsContact C-N 3.25Å; Y232-Q234 PolarHBondContact O-N 3.14Å; Q234-R237 WeakPolarHBondContact O-CB 3.44Å; Q234-R237 PolarHBondContact O-N 3.38Å; Q234-H238 PolarHBondContact O-N 3.05Å; Q234-H238 PolarHBondContact O-ND1 3.01Å
235D94.8Very high93Very high64 Ų6480.3 Ų80.334%0.34238%0.378SS..Hα-helixtrans-59.9-47.1170.1165.961.7000111.5D231 Y232 R237 H238 K239D231-D235 WeakPolarHBondContact O-CB 3.38Å; D231-D235 PolarHBondContact O-N 3.33Å; Y232-D235 PolarHBondContact O-N 3.06Å; D235-R237 VanDerWaalsContact C-N 3.3Å; D235-R237 PolarHBondContact O-N 2.65Å; D235-H238 PolarHBondContact O-N 3.32Å; D235-H238 VanDerWaalsContact O-N 3.11Å; D235-K239 PolarHBondContact O-N 3.27Å; D235-K239 WeakPolarHBondContact OD1-CE 3.17Å; D235-K239 IonicContact OD1-NZ 3.55Å; D235-K239 PolarHBondContact OD1-NZ 3.43Å; D235-K239 IonicContact OD2-NZ 2.8Å; D235-K239 PolarHBondContact OD2-NZ 3.06Å
236L96.1Very high92.6Very high10 Ų1080.2 Ų80.25%0.05238%0.379CS..Hα-helixtrans-58.9-39.2176.5-17863.7000112.2V90 I91 F98 Y232 H238 K239 V240V90-L236 HydrophobicContact CG1-CD1 4.2Å; I91-L236 HydrophobicContact CG1-CD1 3.98Å; F98-L236 HydrophobicContact CE1-CD2 3.72Å; F98-L236 HydrophobicContact CZ-CD2 3.49Å; F98-L236 VanDerWaalsContact CZ-CD2 3.49Å; Y232-L236 HydrophobicContact CE1-CD2 4.4Å; Y232-L236 VanDerWaalsContact O-CB 3.32Å; Y232-L236 WeakPolarHBondContact O-CB 3.43Å; Y232-L236 PolarHBondContact O-N 3.31Å; L236-H238 VanDerWaalsContact C-N 3.32Å; L236-H238 PolarHBondContact O-N 3.37Å; L236-K239 PolarHBondContact O-N 3.14Å; L236-V240 HydrophobicContact CD1-CG2 4.34Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 WeakPolarHBondContact O-CG2 3.19Å; L236-V240 PolarHBondContact O-N 3.46Å
237R95.2Very high92.5Very high171 Ų17183.6 Ų83.665%0.64539%0.385SS*.Hα-helixtrans-56.6-44.3174.6-168.7-166.3-59.3-89.10.5111.9L233 Q234 D235 Q241L233-R237 PolarHBondContact O-N 3.3Å; Q234-R237 WeakPolarHBondContact O-CB 3.44Å; Q234-R237 PolarHBondContact O-N 3.38Å; D235-R237 VanDerWaalsContact C-N 3.3Å; D235-R237 PolarHBondContact O-N 2.65Å; R237-Q241 PolarHBondContact O-N 3.42Å; R237-Q241 VanDerWaalsContact O-N 3.14Å
238H92.6Very high92.4Very high118 Ų11883.4 Ų83.455%0.54638%0.384SS..Hα-helixtrans-66.8-40.7177.3-66.993.5000111.8Q234 D235 L236 Q241 K242Q234-H238 PolarHBondContact O-N 3.05Å; Q234-H238 PolarHBondContact O-ND1 3.01Å; D235-H238 PolarHBondContact O-N 3.32Å; D235-H238 VanDerWaalsContact O-N 3.11Å; L236-H238 VanDerWaalsContact C-N 3.32Å; L236-H238 PolarHBondContact O-N 3.37Å; H238-Q241 PolarHBondContact O-N 2.71Å; H238-K242 WeakPolarHBondContact O-CB 3.46Å; H238-K242 PolarHBondContact O-N 3.49Å
239K92.6Very high91.8Very high42 Ų4281 Ų8118%0.18337%0.369CS..Hα-helixtrans-63.8-44177.5-71.6171.9175.9159.60112.3D87 V90 I91 D235 L236 Q241 K242 T243D87-K239 HydrophobicContact CB-CB 4.28Å; D87-K239 HydrophobicContact CB-CG 4.32Å; V90-K239 HydrophobicContact CB-CD 4.25Å; V90-K239 HydrophobicContact CG1-CD 3.84Å; I91-K239 HydrophobicContact CD1-CB 4.36Å; I91-K239 HydrophobicContact CG1-CB 4.47Å; D235-K239 PolarHBondContact O-N 3.27Å; D235-K239 WeakPolarHBondContact OD1-CE 3.17Å; D235-K239 IonicContact OD1-NZ 3.55Å; D235-K239 PolarHBondContact OD1-NZ 3.43Å; D235-K239 IonicContact OD2-NZ 2.8Å; D235-K239 PolarHBondContact OD2-NZ 3.06Å; L236-K239 PolarHBondContact O-N 3.14Å; K239-Q241 VanDerWaalsContact C-N 3.33Å; K239-Q241 PolarHBondContact O-N 3.22Å; K239-K242 PolarHBondContact O-N 3.21Å; K239-T243 PolarHBondContact O-N 2.89Å; K239-T243 PolarHBondContact O-OG1 2.65Å
240V94.5Very high91.3Very high57 Ų5779.3 Ų79.335%0.34537%0.365SS..Hα-helixtrans-60.9-41.5174.7170.90000111.5I91 L236 T243 R244I91-V240 HydrophobicContact CD1-CG2 4.06Å; I91-V240 HydrophobicContact CG1-CG2 3.94Å; L236-V240 HydrophobicContact CD1-CG2 4.34Å; L236-V240 HydrophobicContact CG-CG2 4.46Å; L236-V240 WeakPolarHBondContact O-CG2 3.19Å; L236-V240 PolarHBondContact O-N 3.46Å; V240-T243 PolarHBondContact O-N 2.94Å; V240-R244 PolarHBondContact O-N 3.05Å
241Q92.2Very high91Very high73 Ų7378.7 Ų78.734%0.34136%0.362SS..Hα-helixtrans-65.6-44176.6178.157.424.400112.3R237 H238 K239 T243 R244 E245R237-Q241 PolarHBondContact O-N 3.42Å; R237-Q241 VanDerWaalsContact O-N 3.14Å; H238-Q241 PolarHBondContact O-N 2.71Å; K239-Q241 VanDerWaalsContact C-N 3.33Å; K239-Q241 PolarHBondContact O-N 3.22Å; Q241-T243 PolarHBondContact O-N 3.42Å; Q241-R244 WeakPolarHBondContact O-CB 3.45Å; Q241-R244 PolarHBondContact O-N 2.93Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.37Å; Q241-E245 PolarHBondContact NE2-OE1 3.19Å; Q241-E245 WeakPolarHBondContact O-CG 3.27Å; Q241-E245 PolarHBondContact O-N 3.42Å
242K87.1Confident90.8Very high61 Ų6179.1 Ų79.127%0.26536%0.36SS..Hα-helixtrans-60-42.1175.2-176.8-173178.9-164.30112.3D87 H238 K239 E245 N246 F547D87-K242 IonicContact OD1-NZ 2.71Å; D87-K242 PolarHBondContact OD1-NZ 3.08Å; D87-K242 VanDerWaalsContact OD2-CE 3.31Å; D87-K242 WeakPolarHBondContact OD2-CE 3.46Å; D87-K242 IonicContact OD2-NZ 3.51Å; D87-K242 PolarHBondContact OD2-NZ 3.28Å; H238-K242 WeakPolarHBondContact O-CB 3.46Å; H238-K242 PolarHBondContact O-N 3.49Å; K239-K242 PolarHBondContact O-N 3.21Å; K242-E245 PolarHBondContact O-N 3.26Å; K242-N246 VanDerWaalsContact O-CG 3.26Å; K242-N246 PolarHBondContact O-N 3.44Å; K242-N246 PolarHBondContact O-ND2 3.45Å; K242-F547 HydrophobicContact CG-CZ 4.4Å
243T88.5Confident90.1Very high35 Ų3578.4 Ų78.422%0.21536%0.358CS..Hα-helixtrans-67.5-34.8175.7-62.50000112.3E88 I91 K239 V240 Q241 F247E88-T243 HydrophobicContact CG-CG2 4.36Å; I91-T243 HydrophobicContact CD1-CG2 4.39Å; I91-T243 WeakPolarHBondContact CD1-OG1 3.39Å; K239-T243 PolarHBondContact O-N 2.89Å; K239-T243 PolarHBondContact O-OG1 2.65Å; V240-T243 PolarHBondContact O-N 2.94Å; Q241-T243 PolarHBondContact O-N 3.42Å; T243-F247 PolarHBondContact O-N 3.46Å
244R91.6Very high89.5Confident139 Ų13977.3 Ų77.353%0.52536%0.355SS..Hα-helixtrans-62.5-45.6170.7177-174.3-68.2137.7-3.9111.8V240 Q241 F247 E248V240-R244 PolarHBondContact O-N 3.05Å; Q241-R244 WeakPolarHBondContact O-CB 3.45Å; Q241-R244 PolarHBondContact O-N 2.93Å; R244-F247 WeakPolarHBondContact O-CB 3.48Å; R244-F247 PolarHBondContact O-N 2.65Å; R244-E248 WeakPolarHBondContact O-CG 3.28Å; R244-E248 PolarHBondContact O-N 3.02Å
245E89Confident89.2Confident106 Ų10676.8 Ų76.850%0.49536%0.357SS..Hα-helixtrans-61.8-44.2177.8-72.1165-168.600111.9Q241 K242 F247 E248 E249Q241-E245 WeakPolarHBondContact CG-OE1 3.37Å; Q241-E245 PolarHBondContact NE2-OE1 3.19Å; Q241-E245 WeakPolarHBondContact O-CG 3.27Å; Q241-E245 PolarHBondContact O-N 3.42Å; K242-E245 PolarHBondContact O-N 3.26Å; E245-F247 VanDerWaalsContact C-N 3.3Å; E245-F247 PolarHBondContact O-N 3.34Å; E245-E248 PolarHBondContact O-N 3.37Å; E245-E249 PolarHBondContact O-N 3.47Å
246N84.3Confident88.8Confident37 Ų3778.8 Ų78.820%0.19837%0.365CS..Hα-helixtrans-58.4-39.7172.9-67.1-30.5000112.4K242 A250K242-N246 VanDerWaalsContact O-CG 3.26Å; K242-N246 PolarHBondContact O-N 3.44Å; K242-N246 PolarHBondContact O-ND2 3.45Å; N246-A250 WeakPolarHBondContact O-CB 3.45Å; N246-A250 PolarHBondContact O-N 2.88Å
247F88.8Confident88.1Confident120 Ų12078.9 Ų78.953%0.52637%0.365SS..Hα-helixtrans-66.9-43.7177.7165.6-97.4000112.5T243 R244 E245 E249 A250 R251T243-F247 PolarHBondContact O-N 3.46Å; R244-F247 WeakPolarHBondContact O-CB 3.48Å; R244-F247 PolarHBondContact O-N 2.65Å; E245-F247 VanDerWaalsContact C-N 3.3Å; E245-F247 PolarHBondContact O-N 3.34Å; F247-E249 PolarHBondContact O-N 2.96Å; F247-A250 PolarHBondContact O-N 3.31Å; F247-R251 HydrophobicContact CZ-CB 4.48Å; F247-R251 WeakPolarHBondContact O-CB 3.34Å; F247-R251 PolarHBondContact O-N 2.89Å
248E90.3Very high87.5Confident80 Ų8077.3 Ų77.337%0.37436%0.363SS..Hα-helixtrans-61.5-44.3179-66.9-66.7118.400111R244 E245 R251 E252R244-E248 WeakPolarHBondContact O-CG 3.28Å; R244-E248 PolarHBondContact O-N 3.02Å; E245-E248 PolarHBondContact O-N 3.37Å; E248-R251 PolarHBondContact O-N 3.15Å; E248-R251 IonicContact OE1-CZ 2.74Å; E248-R251 IonicContact OE1-NH1 3.54Å; E248-R251 PolarHBondContact OE1-NH1 2.99Å; E248-R251 IonicContact OE1-NH2 2.91Å; E248-R251 IonicContact OE2-CZ 3.04Å; E248-R251 IonicContact OE2-NH1 2.7Å; E248-R251 PolarHBondContact OE2-NH1 3.38Å; E248-R251 IonicContact OE2-NH2 2.65Å; E248-R251 PolarHBondContact OE2-NH2 3.4Å; E248-E252 PolarHBondContact O-N 3.34Å
249E83.1Confident87Confident66 Ų6674.9 Ų74.931%0.30836%0.357SS..Hα-helixtrans-64.1-40.8176.1-158.6-154.8-174.200112.1E245 F247 K253E245-E249 PolarHBondContact O-N 3.47Å; F247-E249 PolarHBondContact O-N 2.96Å; E249-K253 WeakPolarHBondContact O-CG 3.37Å; E249-K253 PolarHBondContact O-N 3.49Å; E249-K253 WeakPolarHBondContact OE1-CE 3.34Å; E249-K253 IonicContact OE1-NZ 3.42Å; E249-K253 PolarHBondContact OE1-NZ 3.17Å; E249-K253 IonicContact OE2-NZ 2.65Å; E249-K253 PolarHBondContact OE2-NZ 3.21Å
250A81.5Confident86.5Confident18 Ų1875.9 Ų75.915%0.14936%0.361CS..Hα-helixtrans-65.4-39174.600000112N246 F247 K253 V254 I568N246-A250 WeakPolarHBondContact O-CB 3.45Å; N246-A250 PolarHBondContact O-N 2.88Å; F247-A250 PolarHBondContact O-N 3.31Å; A250-K253 PolarHBondContact O-N 3.07Å; A250-V254 WeakPolarHBondContact O-CB 3.44Å; A250-V254 VanDerWaalsContact O-CG2 3.29Å; A250-V254 WeakPolarHBondContact O-CG2 3.35Å; A250-V254 PolarHBondContact O-N 3.38Å; A250-I568 HydrophobicContact CB-CG2 4.22Å
251R89.3Confident85.5Confident122 Ų12280.1 Ų80.146%0.4637%0.372SS..Hα-helixtrans-65.7-40178.5-168.6-170.271.5-138.1-12111.8F247 E248 T255F247-R251 HydrophobicContact CZ-CB 4.48Å; F247-R251 WeakPolarHBondContact O-CB 3.34Å; F247-R251 PolarHBondContact O-N 2.89Å; E248-R251 PolarHBondContact O-N 3.15Å; E248-R251 IonicContact OE1-CZ 2.74Å; E248-R251 IonicContact OE1-NH1 3.54Å; E248-R251 PolarHBondContact OE1-NH1 2.99Å; E248-R251 IonicContact OE1-NH2 2.91Å; E248-R251 IonicContact OE2-CZ 3.04Å; E248-R251 IonicContact OE2-NH1 2.7Å; E248-R251 PolarHBondContact OE2-NH1 3.38Å; E248-R251 IonicContact OE2-NH2 2.65Å; E248-R251 PolarHBondContact OE2-NH2 3.4Å; R251-T255 WeakPolarHBondContact O-CB 3.44Å; R251-T255 PolarHBondContact O-N 3Å; R251-T255 PolarHBondContact O-OG1 2.98Å
252E88.9Confident84.8Confident127 Ų12782.9 Ų82.959%0.59339%0.386SS*.Hα-helixtrans-60.2-55174.1-174.9168.8-141.200110.3E248 V254 T255 E256E248-E252 PolarHBondContact O-N 3.34Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.01Å; E252-T255 CarbonylContact O-C 3.58Å; E252-T255 WeakPolarHBondContact O-CA 3.38Å; E252-T255 WeakPolarHBondContact O-CB 3.46Å; E252-T255 PolarHBondContact O-N 3.3Å; E252-E256 PolarHBondContact O-N 2.98Å
253K81.6Confident84.3Confident42 Ų4286.6 Ų86.618%0.18340%0.404CS..Hα-helixtrans-58.1-38.6178.4-68.4167.5-174.5168.30113.4E249 A250 T255 L257 I568 I571E249-K253 WeakPolarHBondContact O-CG 3.37Å; E249-K253 PolarHBondContact O-N 3.49Å; E249-K253 WeakPolarHBondContact OE1-CE 3.34Å; E249-K253 IonicContact OE1-NZ 3.42Å; E249-K253 PolarHBondContact OE1-NZ 3.17Å; E249-K253 IonicContact OE2-NZ 2.65Å; E249-K253 PolarHBondContact OE2-NZ 3.21Å; A250-K253 PolarHBondContact O-N 3.07Å; K253-T255 VanDerWaalsContact C-N 3.33Å; K253-L257 WeakPolarHBondContact O-CB 3.4Å; K253-L257 PolarHBondContact O-N 3.27Å; K253-I568 HydrophobicContact CB-CD1 4.03Å; K253-I568 HydrophobicContact CB-CG1 4.21Å; K253-I568 HydrophobicContact CB-CG2 3.76Å; K253-I568 HydrophobicContact CD-CG2 4.15Å; K253-I571 HydrophobicContact CD-CD1 3.8Å
254V83.1Confident83.1Confident51 Ų5191.6 Ų91.631%0.30942%0.423SS..Hα-helixtrans-69.4-31.9175.31690000111.6A250 E252 L257 K258 V565 I568A250-V254 WeakPolarHBondContact O-CB 3.44Å; A250-V254 VanDerWaalsContact O-CG2 3.29Å; A250-V254 WeakPolarHBondContact O-CG2 3.35Å; A250-V254 PolarHBondContact O-N 3.38Å; E252-V254 VanDerWaalsContact C-N 3.33Å; E252-V254 PolarHBondContact O-N 3.01Å; V254-L257 PolarHBondContact O-N 2.94Å; V254-K258 VanDerWaalsContact O-CB 3.32Å; V254-K258 WeakPolarHBondContact O-CB 3.43Å; V254-K258 PolarHBondContact O-N 3.4Å; V254-V565 HydrophobicContact CG2-CG1 4.19Å; V254-V565 HydrophobicContact CG2-CG2 4.44Å; V254-I568 HydrophobicContact CG2-CD1 3.94Å; V254-I568 HydrophobicContact CG2-CG2 4.13Å
255T87.4Confident81.5Confident73 Ų7396.2 Ų96.245%0.44844%0.441SS..Hα-helixtrans-73.3-39.8176.3-580000111.4R251 E252 K253 T259R251-T255 WeakPolarHBondContact O-CB 3.44Å; R251-T255 PolarHBondContact O-N 3Å; R251-T255 PolarHBondContact O-OG1 2.98Å; E252-T255 CarbonylContact O-C 3.58Å; E252-T255 WeakPolarHBondContact O-CA 3.38Å; E252-T255 WeakPolarHBondContact O-CB 3.46Å; E252-T255 PolarHBondContact O-N 3.3Å; K253-T255 VanDerWaalsContact C-N 3.33Å; T255-T259 PolarHBondContact O-N 3.1Å; T255-T259 VanDerWaalsContact O-N 3.09Å; T255-T259 PolarHBondContact O-OG1 2.71Å
256E86.3Confident79.8Confident107 Ų10795.8 Ų95.850%0.545%0.446SS..Hα-helixtrans-58.5-49.5167.8-67.9-167.4159.600111.2E252 K258 T259 K260E252-E256 PolarHBondContact O-N 2.98Å; E256-K258 PolarHBondContact O-N 3.4Å; E256-T259 WeakPolarHBondContact O-CA 3.4Å; E256-T259 WeakPolarHBondContact O-CB 3.43Å; E256-T259 PolarHBondContact O-N 2.94Å; E256-K260 WeakPolarHBondContact O-CG 3.4Å; E256-K260 PolarHBondContact O-N 3.41Å
257L82Confident78.5Confident12 Ų12102.4 Ų102.46%0.06347%0.473CS..Hα-helixtrans-60-45.7-178.4-172.963.2000111.7K253 V254 T259 K260 Y261 E563 V565 I568K253-L257 WeakPolarHBondContact O-CB 3.4Å; K253-L257 PolarHBondContact O-N 3.27Å; V254-L257 PolarHBondContact O-N 2.94Å; L257-T259 VanDerWaalsContact C-N 3.27Å; L257-T259 PolarHBondContact O-N 3.12Å; L257-K260 PolarHBondContact O-N 3.21Å; L257-Y261 HydrophobicContact CD1-CD2 3.87Å; L257-Y261 HydrophobicContact CD1-CE2 3.68Å; L257-Y261 HydrophobicContact CG-CD2 4.15Å; L257-Y261 HydrophobicContact CG-CE2 4.21Å; L257-Y261 WeakPolarHBondContact O-CD2 3.41Å; L257-Y261 PolarHBondContact O-N 2.87Å; L257-E563 HydrophobicContact CD1-CB 3.69Å; L257-E563 WeakPolarHBondContact CD1-OE2 3.32Å; L257-V565 HydrophobicContact CD2-CG2 4.29Å; L257-I568 HydrophobicContact CB-CD1 4.18Å; L257-I568 HydrophobicContact CD2-CD1 3.73Å
258K82.3Confident76.8Confident137 Ų137102 Ų10260%0.59648%0.482SS*.Hα-helixtrans-53-45.7171.8176.2-172.2173.3-171.30111.3V254 E256 Y261 M262V254-K258 VanDerWaalsContact O-CB 3.32Å; V254-K258 WeakPolarHBondContact O-CB 3.43Å; V254-K258 PolarHBondContact O-N 3.4Å; E256-K258 PolarHBondContact O-N 3.4Å; K258-Y261 PolarHBondContact O-N 3.33Å; K258-M262 HydrophobicContact CG-SD 4.19Å; K258-M262 WeakPolarHBondContact O-CG 3.47Å; K258-M262 PolarHBondContact O-N 3.39Å
259T83.6Confident75Confident67 Ų67104.6 Ų104.641%0.41149%0.494SS..Hα-helixtrans-65.9-49-178.8-52.90000111.2T255 E256 L257 Y261 M262 E263T255-T259 PolarHBondContact O-N 3.1Å; T255-T259 VanDerWaalsContact O-N 3.09Å; T255-T259 PolarHBondContact O-OG1 2.71Å; E256-T259 WeakPolarHBondContact O-CA 3.4Å; E256-T259 WeakPolarHBondContact O-CB 3.43Å; E256-T259 PolarHBondContact O-N 2.94Å; L257-T259 VanDerWaalsContact C-N 3.27Å; L257-T259 PolarHBondContact O-N 3.12Å; T259-Y261 VanDerWaalsContact C-N 3.25Å; T259-Y261 PolarHBondContact O-N 2.89Å; T259-M262 PolarHBondContact O-N 3.02Å; T259-E263 PolarHBondContact O-N 2.66Å; T259-E263 VanDerWaalsContact O-N 3.08Å
260K80.2Confident73.8Confident64 Ų64105.9 Ų105.928%0.27850%0.5SS..Hα-helixtrans-52-42.3174.2-68176.9-170.2174.90112.3E256 L257 K264 E563E256-K260 WeakPolarHBondContact O-CG 3.4Å; E256-K260 PolarHBondContact O-N 3.41Å; L257-K260 PolarHBondContact O-N 3.21Å; K260-K264 VanDerWaalsContact O-CB 3.29Å; K260-K264 WeakPolarHBondContact O-CB 3.37Å; K260-K264 WeakPolarHBondContact O-CG 3.42Å; K260-K264 PolarHBondContact O-N 3.17Å; K260-E563 VanDerWaalsContact CD-OE2 3.24Å; K260-E563 WeakPolarHBondContact CD-OE2 3.36Å; K260-E563 IonicContact NZ-OE1 2.86Å; K260-E563 PolarHBondContact NZ-OE1 3.43Å; K260-E563 IonicContact NZ-OE2 3.06Å; K260-E563 PolarHBondContact NZ-OE2 3.04Å
261Y74.2Confident72.9Confident146 Ų146111.4 Ų111.457%0.57353%0.526SS*.Hα-helixtrans-75.9-27.9179.4-90.8-97.6000114L257 K258 T259L257-Y261 HydrophobicContact CD1-CD2 3.87Å; L257-Y261 HydrophobicContact CD1-CE2 3.68Å; L257-Y261 HydrophobicContact CG-CD2 4.15Å; L257-Y261 HydrophobicContact CG-CE2 4.21Å; L257-Y261 WeakPolarHBondContact O-CD2 3.41Å; L257-Y261 PolarHBondContact O-N 2.87Å; K258-Y261 PolarHBondContact O-N 3.33Å; T259-Y261 VanDerWaalsContact C-N 3.25Å; T259-Y261 PolarHBondContact O-N 2.89Å
262M76.6Confident71.8Confident131 Ų131111.4 Ų111.465%0.64553%0.529SS*.Hα-helixtrans-71.5-38173.8-76179.762.600112K258 T259K258-M262 HydrophobicContact CG-SD 4.19Å; K258-M262 WeakPolarHBondContact O-CG 3.47Å; K258-M262 PolarHBondContact O-N 3.39Å; T259-M262 PolarHBondContact O-N 3.02Å
263E76.6Confident71.2Confident138 Ų138106.9 Ų106.965%0.64551%0.511SS*.Hα-helixtrans-70.4-55.7173.7-66.2172.917500111.4T259 R265T259-E263 PolarHBondContact O-N 2.66Å; T259-E263 VanDerWaalsContact O-N 3.08Å; E263-R265 VanDerWaalsContact C-N 3.32Å; E263-R265 PolarHBondContact O-N 3.01Å
264K65.2Low71.3Confident141 Ų141106.4 Ų106.461%0.61351%0.508SS*.  trans-84.773.1-175.3-61.2176.6-176.4174.10110.7K260 T266K260-K264 VanDerWaalsContact O-CB 3.29Å; K260-K264 WeakPolarHBondContact O-CB 3.37Å; K260-K264 WeakPolarHBondContact O-CG 3.42Å; K260-K264 PolarHBondContact O-N 3.17Å; K264-T266 PolarHBondContact O-N 2.64Å
265R57.6Low71.6Confident235 Ų235109.7 Ų109.789%0.88752%0.515SS*.  trans-599.5176.7-67.3-170.6175.2-164.30.6116E263E263-R265 VanDerWaalsContact C-N 3.32Å; E263-R265 PolarHBondContact O-N 3.01Å
266T53.3Low71.6Confident98 Ų98106.9 Ų106.960%0.60150%0.501SS*.  trans-119.1117.3-179.149.50000110.3K264K264-T266 PolarHBondContact O-N 2.64Å
267K56.6Low71.8Confident175 Ų175104.2 Ų104.276%0.76149%0.487SS*.  trans-58.4150.3166.8-65.4-171.6174.6-167.20110.5
268P53.3Low72.3Confident113 Ų113103.6 Ų103.673%0.73448%0.484SS*.  trans-53.9144.3159.2-21.233000110.5E270P268-E270 PolarHBondContact O-N 2.89Å
269E52.3Low72.7Confident134 Ų134100 Ų10063%0.62647%0.468SS*.  trans-77.4109.4177-67.5-179.2178.100109.6I271 Y378E269-I271 VanDerWaalsContact C-N 3.29Å; E269-I271 PolarHBondContact O-N 3.27Å; E269-Y378 HydrophobicContact CG-CE1 4.37Å; E269-Y378 WeakPolarHBondContact OE1-CE1 3.44Å; E269-Y378 PolarHBondContact OE1-OH 2.83Å
270E58.6Low73.1Confident93 Ų9397.4 Ų97.444%0.43545%0.452SS..  trans-66.583.3173.2-78.5-179.1-111.800110.1P268 F272 T273 R275P268-E270 PolarHBondContact O-N 2.89Å; E270-F272 PolarHBondContact O-N 3.12Å; E270-T273 WeakPolarHBondContact CB-O 3.47Å; E270-T273 PolarHBondContact O-N 3.46Å; E270-R275 IonicContact OE1-NE 2.68Å; E270-R275 PolarHBondContact OE1-NE 2.9Å; E270-R275 IonicContact OE2-CZ 2.68Å; E270-R275 VanDerWaalsContact OE2-CZ 3.26Å; E270-R275 IonicContact OE2-NE 2.96Å; E270-R275 PolarHBondContact OE2-NE 3.43Å; E270-R275 IonicContact OE2-NH2 2.94Å; E270-R275 PolarHBondContact OE2-NH2 3.34Å
271I61.7Low73.4Confident133 Ų13395.7 Ų95.768%0.68245%0.445SS*.THydrogen-bonded Turntrans-44.3-34-172.7-59.3175.7000114.1E269E269-I271 VanDerWaalsContact C-N 3.29Å; E269-I271 PolarHBondContact O-N 3.27Å
272F66.5Low73.8Confident122 Ų12292 Ų9254%0.53543%0.433SS..THydrogen-bonded Turntrans-109.3-8.5-174.6-56.4-72.2000115.1E270 K308E270-F272 PolarHBondContact O-N 3.12Å; F272-K308 WeakPolarHBondContact O-CB 3.44Å; F272-K308 PolarHBondContact O-N 3.5Å
273T76.2Confident73.2Confident33 Ų3393.7 Ų93.720%0.20244%0.437CS..EExtended strand (participates in β ladder)trans-142.2115.8-174.2-57.20000111.3E270 R275 T305 F306 K307E270-T273 WeakPolarHBondContact CB-O 3.47Å; E270-T273 PolarHBondContact O-N 3.46Å; T273-R275 HydrophobicContact CG2-CG 3.93Å; T273-T305 HydrophobicContact CG2-CG2 4.23Å; T273-F306 CarbonylContact C-O 3.53Å; T273-F306 VanDerWaalsContact CA-O 3.28Å; T273-F306 WeakPolarHBondContact CA-O 3.28Å; T273-K307 HydrophobicContact CG2-CG 4.23Å
274K84.7Confident72.2Confident31 Ų3190.7 Ų90.714%0.13543%0.431CS..EExtended strand (participates in β ladder)trans-100.9129.8173.4-176.261172.261.70110.1T305 F306 D375 W379 A382K274-T305 CarbonylContact O-C 3.58Å; K274-T305 WeakPolarHBondContact O-CA 3.37Å; K274-F306 PolarHBondContact N-O 3.03Å; K274-F306 PolarHBondContact O-N 3.27Å; K274-D375 IonicContact NZ-OD1 2.72Å; K274-D375 PolarHBondContact NZ-OD1 3.04Å; K274-W379 HydrophobicContact CB-CE3 3.95Å; K274-W379 HydrophobicContact CB-CZ3 3.86Å; K274-W379 HydrophobicContact CG-CD2 3.61Å; K274-W379 HydrophobicContact CG-CE3 3.33Å; K274-W379 HydrophobicContact CG-CG 4.33Å; K274-W379 HydrophobicContact CG-CH2 3.96Å; K274-W379 HydrophobicContact CG-CZ2 4.19Å; K274-W379 HydrophobicContact CG-CZ3 3.52Å; K274-W379 VanDerWaalsContact NZ-NE1 3.15Å; K274-A382 HydrophobicContact CB-CB 3.64Å; K274-A382 HydrophobicContact CG-CB 4.26Å
275R88.3Confident71.5Confident120 Ų12089.9 Ų89.945%0.45344%0.443SS..EExtended strand (participates in β ladder)trans-126.6158.3176.1-39.6-175.4-147.9-154.73.2109.8E270 T273 C304 T305E270-R275 IonicContact OE1-NE 2.68Å; E270-R275 PolarHBondContact OE1-NE 2.9Å; E270-R275 IonicContact OE2-CZ 2.68Å; E270-R275 VanDerWaalsContact OE2-CZ 3.26Å; E270-R275 IonicContact OE2-NE 2.96Å; E270-R275 PolarHBondContact OE2-NE 3.43Å; E270-R275 IonicContact OE2-NH2 2.94Å; E270-R275 PolarHBondContact OE2-NH2 3.34Å; T273-R275 HydrophobicContact CG2-CG 3.93Å; R275-C304 WeakPolarHBondContact CA-O 3.23Å; R275-T305 HydrophobicContact CG-CG2 4.27Å
276G88.1Confident70.9Confident15 Ų1585 Ų8516%0.15543%0.433CS..EExtended strand (participates in β ladder)trans150.3179.7177.300000112.8C304G276-C304 PolarHBondContact N-O 3.3Å; G276-C304 VanDerWaalsContact N-O 3.15Å; G276-C304 PolarHBondContact O-N 2.91Å
277Y91Very high70.3Confident50 Ų5085.7 Ų85.720%0.19643%0.433CS..EExtended strand (participates in β ladder)trans-88.9142.8175.5-61.6-82.2000111.7K301 Y302 Y303 F318Y277-K301 HydrophobicContact CD1-CD 4.39Å; Y277-K301 HydrophobicContact CD1-CG 4.25Å; Y277-Y302 CarbonylContact C-O 3.57Å; Y277-Y302 VanDerWaalsContact CA-O 3.24Å; Y277-Y302 WeakPolarHBondContact CA-O 3.48Å; Y277-Y303 AromaticContact CD1-CD2 3.99Å; Y277-Y303 HydrophobicContact CD1-CD2 3.99Å; Y277-Y303 HydrophobicContact CD2-CD2 4.39Å; Y277-Y303 AromaticContact CE1-CD2 3.81Å; Y277-Y303 HydrophobicContact CE1-CD2 3.81Å; Y277-Y303 HydrophobicContact CE1-CG 4.29Å; Y277-Y303 HydrophobicContact CE2-CD2 4.22Å; Y277-Y303 HydrophobicContact CG-CD2 4.29Å; Y277-Y303 AromaticContact CZ-CD2 3.93Å; Y277-F318 HydrophobicContact CE1-CB 4.39Å; Y277-F318 AromaticContact CE1-CD1 3.85Å; Y277-F318 HydrophobicContact CE1-CD1 3.85Å; Y277-F318 HydrophobicContact CE1-CG 4.43Å
278L91.9Very high69.9Low0 Ų087.5 Ų87.50%044%0.441CS..EExtended strand (participates in β ladder)trans-130.9155.5169.2-67.4174.5000108.9Y302 C304 F313 F354 F368 Q369 A370 W379L278-Y302 PolarHBondContact N-O 2.96Å; L278-Y302 PolarHBondContact O-N 3.33Å; L278-Y302 VanDerWaalsContact O-O 3.13Å; L278-C304 HydrophobicContact CD1-CB 3.96Å; L278-C304 HydrophobicContact CG-CB 4.36Å; L278-F313 HydrophobicContact CD1-CE2 4.43Å; L278-F313 HydrophobicContact CD1-CZ 3.98Å; L278-F354 HydrophobicContact CD1-CZ 3.83Å; L278-F354 HydrophobicContact CD2-CE1 3.91Å; L278-F354 HydrophobicContact CD2-CZ 3.81Å; L278-F354 HydrophobicContact CG-CZ 4.49Å; L278-F368 HydrophobicContact CB-CB 4.47Å; L278-F368 HydrophobicContact CB-CD1 3.91Å; L278-F368 HydrophobicContact CD1-CB 4.25Å; L278-F368 HydrophobicContact CD1-CD1 4Å; L278-F368 HydrophobicContact CD1-CG 4.21Å; L278-Q369 WeakPolarHBondContact CA-O 3.28Å; L278-A370 HydrophobicContact CD2-CB 4.05Å; L278-W379 HydrophobicContact CD1-CD2 4.25Å; L278-W379 HydrophobicContact CD1-CH2 4.45Å; L278-W379 HydrophobicContact CD1-CZ2 4.11Å; L278-W379 HydrophobicContact CD2-CD2 4.38Å; L278-W379 HydrophobicContact CD2-CG 4.25Å; L278-W379 HydrophobicContact CD2-CZ2 4.46Å; L278-W379 HydrophobicContact CG-CZ2 4.03Å
279F91.2Very high69.7Low61 Ų6189.9 Ų89.927%0.26845%0.445SS..EExtended strand (participates in β ladder)trans-104.7125.6166.7-67.5-101.7000109.5W299 T300 K301 F368 Q369 L371F279-W299 HydrophobicContact CB-CE3 4.02Å; F279-T300 CarbonylContact C-O 3.57Å; F279-T300 VanDerWaalsContact CA-O 3.31Å; F279-T300 WeakPolarHBondContact CA-O 3.38Å; F279-K301 HydrophobicContact CD1-CB 3.93Å; F279-K301 HydrophobicContact CD1-CG 4.42Å; F279-K301 HydrophobicContact CE1-CB 3.7Å; F279-K301 HydrophobicContact CE1-CD 4.28Å; F279-K301 HydrophobicContact CE1-CG 4.04Å; F279-K301 HydrophobicContact CE2-CG 4.39Å; F279-K301 HydrophobicContact CZ-CB 4.21Å; F279-K301 HydrophobicContact CZ-CD 3.99Å; F279-K301 HydrophobicContact CZ-CG 4.02Å; F279-F368 CarbonylContact O-C 3.49Å; F279-F368 VanDerWaalsContact O-CA 3.26Å; F279-F368 WeakPolarHBondContact O-CA 3.42Å; F279-Q369 HydrophobicContact CB-CB 4.27Å; F279-Q369 PolarHBondContact N-O 3.43Å; F279-Q369 PolarHBondContact O-N 2.74Å; F279-L371 HydrophobicContact CD2-CD2 4.41Å; F279-L371 HydrophobicContact CE2-CD2 3.91Å
280L90.5Very high69.3Low13 Ų1386.8 Ų86.87%0.06844%0.439CS..EExtended strand (participates in β ladder)trans-92.6132.6175.6173.258000110.1W299 T300 Y302 Y366 F368L280-W299 CarbonylContact O-C 3.57Å; L280-W299 WeakPolarHBondContact O-CA 3.44Å; L280-T300 PolarHBondContact N-O 3.19Å; L280-T300 PolarHBondContact O-N 3.45Å; L280-Y302 HydrophobicContact CB-CD2 3.93Å; L280-Y302 HydrophobicContact CB-CE2 3.98Å; L280-Y302 HydrophobicContact CD2-CE2 4.03Å; L280-Y366 HydrophobicContact CD1-CD1 3.68Å; L280-Y366 HydrophobicContact CD1-CG 4.4Å; L280-Y366 HydrophobicContact CD2-CD1 3.99Å; L280-Y366 HydrophobicContact CD2-CE1 4.21Å; L280-F368 HydrophobicContact CB-CD1 4.07Å; L280-F368 HydrophobicContact CB-CE1 3.86Å; L280-F368 HydrophobicContact CD1-CD1 4.29Å; L280-F368 HydrophobicContact CD1-CE1 3.95Å; L280-F368 HydrophobicContact CD1-CE2 4.27Å; L280-F368 HydrophobicContact CD1-CZ 3.94Å; L280-F368 HydrophobicContact CD2-CE1 4.46Å; L280-F368 HydrophobicContact CG-CE1 4.3Å
281M87.6Confident68.8Low28 Ų2890.6 Ų90.614%0.13846%0.461CS..EExtended strand (participates in β ladder)trans-79.8124.8170.6-169.4-173.966.600111.3K283 A297 T298 W299 F348 T367M281-K283 HydrophobicContact CE-CG 4.36Å; M281-A297 HydrophobicContact CG-CB 3.98Å; M281-A297 HydrophobicContact SD-CB 4.27Å; M281-T298 WeakPolarHBondContact CA-O 3.36Å; M281-W299 HydrophobicContact CB-CD2 4.1Å; M281-W299 HydrophobicContact CB-CE3 3.99Å; M281-W299 HydrophobicContact CB-CH2 3.7Å; M281-W299 HydrophobicContact CB-CZ2 3.77Å; M281-W299 HydrophobicContact CB-CZ3 3.8Å; M281-W299 HydrophobicContact CG-CD2 4.36Å; M281-W299 HydrophobicContact CG-CH2 4.2Å; M281-W299 HydrophobicContact CG-CZ2 3.75Å; M281-W299 HydrophobicContact SD-CH2 4.42Å; M281-W299 HydrophobicContact SD-CZ2 3.91Å; M281-F348 HydrophobicContact SD-CZ 3.82Å; M281-T367 PolarHBondContact N-O 3.03Å
282E81.6Confident68.1Low68 Ų6891.7 Ų91.732%0.31847%0.468SS..EExtended strand (participates in β ladder)trans-108.5136.6173.2-71.3159.9-160.700109.7A297 T298 T300E282-A297 WeakPolarHBondContact O-CA 3.47Å; E282-T298 VanDerWaalsContact CB-OG1 3.31Å; E282-T298 WeakPolarHBondContact CB-OG1 3.41Å; E282-T298 PolarHBondContact N-O 3.14Å; E282-T298 PolarHBondContact O-N 3.3Å; E282-T298 PolarHBondContact OE2-OG1 3Å; E282-T300 VanDerWaalsContact CD-OG1 3.23Å; E282-T300 WeakPolarHBondContact OE1-CB 3.46Å; E282-T300 PolarHBondContact OE1-OG1 3.33Å; E282-T300 PolarHBondContact OE2-OG1 2.93Å
283K64.8Low67.4Low166 Ų16693.1 Ų93.172%0.72248%0.476SS*.EExtended strand (participates in β ladder)trans-104.4123.9174-68.1-174.9179.3-1780109.5M281M281-K283 HydrophobicContact CE-CG 4.36Å
284S54.6Low66.1Low75 Ų7597.4 Ų97.452%0.52450%0.504SS..  trans-69.9132.2174.8-144.50000110.7
285S50.3Low64.7Low124 Ų124105.1 Ų105.187%0.86754%0.538SS*.  trans-98.113.7-175.550.10000113.9
286I46.4Very low63.4Low132 Ų132108.5 Ų108.568%0.67756%0.556SS**  trans-96.8152.2-179.7-65.4174.6000109.6
287L41.1Very low62.6Low114 Ų114109.8 Ų109.860%0.59757%0.565SS**  trans78.370.8-171.7-54.6-178.3000116.1
288K47.6Very low62.2Low213 Ų213111.1 Ų111.193%0.92658%0.579SS**SBendtrans-8612.1157.7-121.8-177.9-176.9-176.40113.3
289I49.3Very low61.9Low162 Ų162114.1 Ų114.183%0.83159%0.59SS**SBendtrans-130.6-0.6-157.5-61.5180000113.4
290S43.7Very low61.6Low69 Ų69112.4 Ų112.448%0.48358%0.584SS.*  trans-134.5135.7168.5-176.70000110.2
291L48.6Very low61.6Low174 Ų174114.6 Ų114.691%0.91159%0.593SS**SBendtrans-95.513.9-171.8-150.2123.3000113
292L47Very low61.6Low156 Ų156115.2 Ų115.282%0.81760%0.595SS**SBendtrans-1353.5-160.5-77.9168.5000116.7
293E50.3Low62Low152 Ų152115.7 Ų115.771%0.7159%0.594SS**  trans-120.9133.3174.7-70.6-165.7161.400112.8
294P48.7Very low63.2Low122 Ų122107.8 Ų107.879%0.79256%0.56SS**PPolyproline II helixtrans-79.2144.217931.4-34.3000113.1K296P294-K296 PolarHBondContact O-N 3.45Å
295F55.9Low64.9Low193 Ų193105.3 Ų105.385%0.84654%0.541SS*.PPolyproline II helixtrans-53.6124.7-177-64.4-92.7000114.2
296K61.1Low66.8Low192 Ų19299.4 Ų99.484%0.83550%0.5SS*.PPolyproline II helixtrans-98123.8171.5-161.9170.9-173.9173.90110.5P294P294-K296 PolarHBondContact O-N 3.45Å
297A70.8Confident68.8Low42 Ų4297.1 Ų97.135%0.34749%0.485SS..EExtended strand (participates in β ladder)trans-102.3142.6-179.100000112.3M281 E282M281-A297 HydrophobicContact CG-CB 3.98Å; M281-A297 HydrophobicContact SD-CB 4.27Å; E282-A297 WeakPolarHBondContact O-CA 3.47Å
298T82.5Confident70.8Confident77 Ų7794.6 Ų94.647%0.47247%0.47SS..EExtended strand (participates in β ladder)trans-97.2155.8173.440.30000111M281 E282M281-T298 WeakPolarHBondContact CA-O 3.36Å; E282-T298 VanDerWaalsContact CB-OG1 3.31Å; E282-T298 WeakPolarHBondContact CB-OG1 3.41Å; E282-T298 PolarHBondContact N-O 3.14Å; E282-T298 PolarHBondContact O-N 3.3Å; E282-T298 PolarHBondContact OE2-OG1 3Å
299W86Confident72.4Confident63 Ų6392.5 Ų92.524%0.23946%0.463CS..EExtended strand (participates in β ladder)trans-131.2110.9-179.4-72.884.9000110.6F279 L280 M281 F348 K350 T367 Q369F279-W299 HydrophobicContact CB-CE3 4.02Å; L280-W299 CarbonylContact O-C 3.57Å; L280-W299 WeakPolarHBondContact O-CA 3.44Å; M281-W299 HydrophobicContact CB-CD2 4.1Å; M281-W299 HydrophobicContact CB-CE3 3.99Å; M281-W299 HydrophobicContact CB-CH2 3.7Å; M281-W299 HydrophobicContact CB-CZ2 3.77Å; M281-W299 HydrophobicContact CB-CZ3 3.8Å; M281-W299 HydrophobicContact CG-CD2 4.36Å; M281-W299 HydrophobicContact CG-CH2 4.2Å; M281-W299 HydrophobicContact CG-CZ2 3.75Å; M281-W299 HydrophobicContact SD-CH2 4.42Å; M281-W299 HydrophobicContact SD-CZ2 3.91Å; W299-F348 AromaticContact CH2-CE1 4Å; W299-F348 HydrophobicContact CH2-CE1 4Å; W299-F348 HydrophobicContact CH2-CZ 4.49Å; W299-F348 AromaticContact CZ2-CE1 3.83Å; W299-F348 HydrophobicContact CZ2-CE1 3.83Å; W299-F348 HydrophobicContact CZ2-CZ 4.05Å; W299-K350 HydrophobicContact CH2-CB 4.42Å; W299-K350 HydrophobicContact CH2-CG 4.41Å; W299-K350 HydrophobicContact CZ2-CB 4.22Å; W299-K350 HydrophobicContact CZ2-CG 3.75Å; W299-T367 HydrophobicContact CH2-CG2 4.07Å; W299-Q369 HydrophobicContact CE3-CB 4.22Å; W299-Q369 HydrophobicContact CH2-CB 4.41Å; W299-Q369 HydrophobicContact CZ3-CB 3.67Å
300T86Confident74.1Confident25 Ų2591.6 Ų91.615%0.15345%0.453CS..EExtended strand (participates in β ladder)trans-106.5132.2-172-64.50000111.2F279 L280 E282 Y302 Q317F279-T300 CarbonylContact C-O 3.57Å; F279-T300 VanDerWaalsContact CA-O 3.31Å; F279-T300 WeakPolarHBondContact CA-O 3.38Å; L280-T300 PolarHBondContact N-O 3.19Å; L280-T300 PolarHBondContact O-N 3.45Å; E282-T300 VanDerWaalsContact CD-OG1 3.23Å; E282-T300 WeakPolarHBondContact OE1-CB 3.46Å; E282-T300 PolarHBondContact OE1-OG1 3.33Å; E282-T300 PolarHBondContact OE2-OG1 2.93Å; T300-Y302 HydrophobicContact CG2-CD2 4.03Å; T300-Y302 HydrophobicContact CG2-CE2 3.4Å; T300-Y302 WeakPolarHBondContact O-CD2 3.5Å; T300-Q317 HydrophobicContact CG2-CG 4.06Å; T300-Q317 VanDerWaalsContact CG2-NE2 3.31Å
301K88.8Confident76.1Confident59 Ų5992 Ų9226%0.25744%0.444SS..EExtended strand (participates in β ladder)trans-80.7122.8180-167.4179.4-176.6174.90111.6Y277 F279Y277-K301 HydrophobicContact CD1-CD 4.39Å; Y277-K301 HydrophobicContact CD1-CG 4.25Å; F279-K301 HydrophobicContact CD1-CB 3.93Å; F279-K301 HydrophobicContact CD1-CG 4.42Å; F279-K301 HydrophobicContact CE1-CB 3.7Å; F279-K301 HydrophobicContact CE1-CD 4.28Å; F279-K301 HydrophobicContact CE1-CG 4.04Å; F279-K301 HydrophobicContact CE2-CG 4.39Å; F279-K301 HydrophobicContact CZ-CB 4.21Å; F279-K301 HydrophobicContact CZ-CD 3.99Å; F279-K301 HydrophobicContact CZ-CG 4.02Å
302Y88.8Confident78.1Confident41 Ų4185.5 Ų85.516%0.16141%0.409CS..EExtended strand (participates in β ladder)trans-117.6145.7173.1-73.4-94.4000110.4Y277 L278 L280 T300 M315 L316 Q317Y277-Y302 CarbonylContact C-O 3.57Å; Y277-Y302 VanDerWaalsContact CA-O 3.24Å; Y277-Y302 WeakPolarHBondContact CA-O 3.48Å; L278-Y302 PolarHBondContact N-O 2.96Å; L278-Y302 PolarHBondContact O-N 3.33Å; L278-Y302 VanDerWaalsContact O-O 3.13Å; L280-Y302 HydrophobicContact CB-CD2 3.93Å; L280-Y302 HydrophobicContact CB-CE2 3.98Å; L280-Y302 HydrophobicContact CD2-CE2 4.03Å; T300-Y302 HydrophobicContact CG2-CD2 4.03Å; T300-Y302 HydrophobicContact CG2-CE2 3.4Å; T300-Y302 WeakPolarHBondContact O-CD2 3.5Å; Y302-M315 HydrophobicContact CD1-CB 3.82Å; Y302-M315 HydrophobicContact CE1-CB 4.36Å; Y302-M315 HydrophobicContact CG-CB 4.45Å; Y302-L316 CarbonylContact C-O 3.58Å; Y302-L316 WeakPolarHBondContact CA-O 3.31Å; Y302-Q317 HydrophobicContact CD1-CB 4.02Å; Y302-Q317 HydrophobicContact CE1-CB 3.68Å; Y302-Q317 HydrophobicContact CE1-CG 4.24Å
303Y89.4Confident80.2Confident78 Ų7878.1 Ų78.131%0.30637%0.37SS..EExtended strand (participates in β ladder)trans-87.3120.6157.7-174.2-102.5000108.1Y277 L316Y277-Y303 AromaticContact CD1-CD2 3.99Å; Y277-Y303 HydrophobicContact CD1-CD2 3.99Å; Y277-Y303 HydrophobicContact CD2-CD2 4.39Å; Y277-Y303 AromaticContact CE1-CD2 3.81Å; Y277-Y303 HydrophobicContact CE1-CD2 3.81Å; Y277-Y303 HydrophobicContact CE1-CG 4.29Å; Y277-Y303 HydrophobicContact CE2-CD2 4.22Å; Y277-Y303 HydrophobicContact CG-CD2 4.29Å; Y277-Y303 AromaticContact CZ-CD2 3.93Å; Y303-L316 PolarHBondContact N-O 2.85Å; Y303-L316 PolarHBondContact O-N 3.47Å
304C90.8Very high82.1Confident0 Ų071.7 Ų71.70%034%0.341CS..EExtended strand (participates in β ladder)trans-111.6148.4-174.6-64.20000110.9R275 G276 L278 F313 T314 W379R275-C304 WeakPolarHBondContact CA-O 3.23Å; G276-C304 PolarHBondContact N-O 3.3Å; G276-C304 VanDerWaalsContact N-O 3.15Å; G276-C304 PolarHBondContact O-N 2.91Å; L278-C304 HydrophobicContact CD1-CB 3.96Å; L278-C304 HydrophobicContact CG-CB 4.36Å; C304-F313 HydrophobicContact CB-CE2 4.25Å; C304-F313 HydrophobicContact CB-CZ 3.88Å; C304-T314 VanDerWaalsContact CA-O 3.29Å; C304-T314 WeakPolarHBondContact CA-O 3.38Å; C304-W379 HydrophobicContact CB-CH2 3.75Å; C304-W379 HydrophobicContact CB-CZ2 4.17Å
305T90Very high84Confident23 Ų2366.3 Ų66.314%0.14131%0.306CS..EExtended strand (participates in β ladder)trans-135.4131.6171.2-70.50000109.2T273 K274 R275 K307 F313 T314T273-T305 HydrophobicContact CG2-CG2 4.23Å; K274-T305 CarbonylContact O-C 3.58Å; K274-T305 WeakPolarHBondContact O-CA 3.37Å; R275-T305 HydrophobicContact CG-CG2 4.27Å; T305-K307 HydrophobicContact CG2-CG 4.35Å; T305-F313 CarbonylContact O-C 3.54Å; T305-F313 WeakPolarHBondContact O-CA 3.25Å; T305-T314 PolarHBondContact N-O 2.9Å; T305-T314 PolarHBondContact O-N 3.38Å
306F89.7Confident85.3Confident1 Ų160.6 Ų60.60%0.00428%0.284CS..EExtended strand (participates in β ladder)trans-121.3128.2173.6179.2-105.6000110.2T273 K274 K308 R311 E312 F313 L338 W379 A382 M383T273-F306 CarbonylContact C-O 3.53Å; T273-F306 VanDerWaalsContact CA-O 3.28Å; T273-F306 WeakPolarHBondContact CA-O 3.28Å; K274-F306 PolarHBondContact N-O 3.03Å; K274-F306 PolarHBondContact O-N 3.27Å; F306-K308 HydrophobicContact CE1-CB 3.94Å; F306-K308 HydrophobicContact CE1-CG 4.22Å; F306-R311 HydrophobicContact CE2-CB 4.33Å; F306-R311 HydrophobicContact CZ-CB 4.41Å; F306-E312 CarbonylContact C-O 3.59Å; F306-E312 WeakPolarHBondContact CA-O 3.46Å; F306-F313 HydrophobicContact CB-CD2 4.01Å; F306-F313 HydrophobicContact CD2-CB 4.23Å; F306-F313 HydrophobicContact CD2-CD2 4.06Å; F306-F313 HydrophobicContact CG-CD2 4.47Å; F306-L338 HydrophobicContact CE2-CB 3.97Å; F306-L338 HydrophobicContact CE2-CD2 3.7Å; F306-L338 HydrophobicContact CE2-CG 4.48Å; F306-L338 HydrophobicContact CZ-CD2 3.92Å; F306-W379 HydrophobicContact CB-CZ3 4.07Å; F306-A382 HydrophobicContact CD1-CB 4.38Å; F306-A382 VanDerWaalsContact CE1-O 3.29Å; F306-A382 WeakPolarHBondContact CE1-O 3.39Å; F306-M383 HydrophobicContact CB-CG 4.43Å; F306-M383 HydrophobicContact CD1-CG 3.69Å; F306-M383 HydrophobicContact CD2-CG 3.87Å; F306-M383 HydrophobicContact CD2-SD 4.18Å; F306-M383 HydrophobicContact CE1-CB 4.43Å; F306-M383 HydrophobicContact CE1-CG 3.81Å; F306-M383 HydrophobicContact CE2-CG 3.98Å; F306-M383 HydrophobicContact CG-CG 3.71Å; F306-M383 HydrophobicContact CG-SD 4.3Å; F306-M383 HydrophobicContact CZ-CB 4.48Å; F306-M383 HydrophobicContact CZ-CG 3.95Å
307K87.8Confident86.3Confident84 Ų8455.8 Ų55.837%0.36526%0.264SS..EExtended strand (participates in β ladder)trans-112.1107176.4-60.5175.5-161151.70109.8T273 T305 Q309 K310 R311 E312T273-K307 HydrophobicContact CG2-CG 4.23Å; T305-K307 HydrophobicContact CG2-CG 4.35Å; K307-Q309 PolarHBondContact O-N 3.07Å; K307-K310 PolarHBondContact O-N 2.75Å; K307-K310 VanDerWaalsContact O-N 3.12Å; K307-R311 PolarHBondContact O-N 3.36Å; K307-R311 VanDerWaalsContact O-N 3.07Å; K307-E312 WeakPolarHBondContact CD-OE1 3.45Å; K307-E312 WeakPolarHBondContact CE-OE1 3.4Å; K307-E312 PolarHBondContact N-O 3.33Å; K307-E312 IonicContact NZ-OE1 2.65Å; K307-E312 PolarHBondContact NZ-OE1 2.92Å; K307-E312 PolarHBondContact O-N 3.11Å
308K83.5Confident86.4Confident61 Ų6156.3 Ų56.327%0.26526%0.259SS..G310 helixtrans-57.3-44.6-168.5-168.5168.5-173.6123.30113.2F272 F306 K310 R311 S381 A382 D384F272-K308 WeakPolarHBondContact O-CB 3.44Å; F272-K308 PolarHBondContact O-N 3.5Å; F306-K308 HydrophobicContact CE1-CB 3.94Å; F306-K308 HydrophobicContact CE1-CG 4.22Å; K308-K310 PolarHBondContact O-N 3.04Å; K308-K310 VanDerWaalsContact O-N 3.15Å; K308-R311 PolarHBondContact O-N 3.2Å; K308-R311 VanDerWaalsContact O-N 3.08Å; K308-S381 PolarHBondContact NZ-O 2.72Å; K308-A382 PolarHBondContact NZ-O 3.26Å; K308-D384 VanDerWaalsContact CE-OD1 3.27Å; K308-D384 WeakPolarHBondContact CE-OD1 3.47Å; K308-D384 WeakPolarHBondContact CE-OD2 3.32Å; K308-D384 IonicContact NZ-OD1 3.2Å; K308-D384 PolarHBondContact NZ-OD1 2.66Å; K308-D384 IonicContact NZ-OD2 2.72Å; K308-D384 PolarHBondContact NZ-OD2 3.4Å
309Q81.5Confident85.8Confident169 Ų16957 Ų5779%0.7926%0.26SS*.G310 helixtrans-56.4-31.2179.9-67.8179.2-10.400114.4K307K307-Q309 PolarHBondContact O-N 3.07Å
310K84.6Confident85.1Confident142 Ų14259.7 Ų59.762%0.61728%0.275SS*.G310 helixtrans-101.9-10.8178.8-68.1-171.7173.6-168.60113.6K307 K308 E312K307-K310 PolarHBondContact O-N 2.75Å; K307-K310 VanDerWaalsContact O-N 3.12Å; K308-K310 PolarHBondContact O-N 3.04Å; K308-K310 VanDerWaalsContact O-N 3.15Å; K310-E312 HydrophobicContact CB-CB 3.65Å; K310-E312 HydrophobicContact CD-CB 4.42Å; K310-E312 VanDerWaalsContact CD-OE2 3.3Å; K310-E312 WeakPolarHBondContact CD-OE2 3.44Å; K310-E312 IonicContact NZ-OE2 2.66Å; K310-E312 PolarHBondContact O-N 3.34Å; K310-E312 VanDerWaalsContact O-N 3.16Å
311R87Confident84.5Confident78 Ų7865.3 Ų65.329%0.29430%0.301SS..THydrogen-bonded Turntrans48.428.6-159.6-55.5-171.178.3-150-2.1113F306 K307 K308 T337 L338 F339F306-R311 HydrophobicContact CE2-CB 4.33Å; F306-R311 HydrophobicContact CZ-CB 4.41Å; K307-R311 PolarHBondContact O-N 3.36Å; K307-R311 VanDerWaalsContact O-N 3.07Å; K308-R311 PolarHBondContact O-N 3.2Å; K308-R311 VanDerWaalsContact O-N 3.08Å; R311-T337 HydrophobicContact CB-CG2 4.49Å; R311-L338 HydrophobicContact CB-CB 4.33Å; R311-L338 VanDerWaalsContact CZ-O 3.26Å; R311-L338 PolarHBondContact NH1-O 3.24Å; R311-L338 VanDerWaalsContact NH1-O 3.11Å; R311-L338 PolarHBondContact O-N 3.44Å; R311-F339 PolarHBondContact NH1-O 3.48Å; R311-F339 PolarHBondContact NH2-O 3.01Å
312E89.5Confident83.2Confident38 Ų3867.5 Ų67.518%0.17832%0.316CS..EExtended strand (participates in β ladder)trans-80.9115.1-178.2-178-173.396.700108.6F306 K307 K310F306-E312 CarbonylContact C-O 3.59Å; F306-E312 WeakPolarHBondContact CA-O 3.46Å; K307-E312 WeakPolarHBondContact CD-OE1 3.45Å; K307-E312 WeakPolarHBondContact CE-OE1 3.4Å; K307-E312 PolarHBondContact N-O 3.33Å; K307-E312 IonicContact NZ-OE1 2.65Å; K307-E312 PolarHBondContact NZ-OE1 2.92Å; K307-E312 PolarHBondContact O-N 3.11Å; K310-E312 HydrophobicContact CB-CB 3.65Å; K310-E312 HydrophobicContact CD-CB 4.42Å; K310-E312 VanDerWaalsContact CD-OE2 3.3Å; K310-E312 WeakPolarHBondContact CD-OE2 3.44Å; K310-E312 IonicContact NZ-OE2 2.66Å; K310-E312 PolarHBondContact O-N 3.34Å; K310-E312 VanDerWaalsContact O-N 3.16Å
313F91.4Very high81.7Confident0 Ų073.6 Ų73.60%035%0.345CS..EExtended strand (participates in β ladder)trans-104.4139.3171.7-167.4-101.7000109L278 C304 T305 F306 M315 K335 L336 L356 F358 F368 W379 M383L278-F313 HydrophobicContact CD1-CE2 4.43Å; L278-F313 HydrophobicContact CD1-CZ 3.98Å; C304-F313 HydrophobicContact CB-CE2 4.25Å; C304-F313 HydrophobicContact CB-CZ 3.88Å; T305-F313 CarbonylContact O-C 3.54Å; T305-F313 WeakPolarHBondContact O-CA 3.25Å; F306-F313 HydrophobicContact CB-CD2 4.01Å; F306-F313 HydrophobicContact CD2-CB 4.23Å; F306-F313 HydrophobicContact CD2-CD2 4.06Å; F306-F313 HydrophobicContact CG-CD2 4.47Å; F313-M315 HydrophobicContact CD1-CG 3.85Å; F313-M315 HydrophobicContact CD1-SD 4.38Å; F313-M315 HydrophobicContact CE1-CG 3.45Å; F313-M315 VanDerWaalsContact CE1-CG 3.45Å; F313-M315 HydrophobicContact CE1-SD 3.84Å; F313-M315 HydrophobicContact CZ-CG 4.48Å; F313-K335 WeakPolarHBondContact O-CA 3.35Å; F313-L336 WeakPolarHBondContact CB-O 3.39Å; F313-L336 PolarHBondContact N-O 3.17Å; F313-L336 PolarHBondContact O-N 3.48Å; F313-L356 HydrophobicContact CD2-CD1 4.28Å; F313-L356 HydrophobicContact CE1-CD1 4.12Å; F313-L356 HydrophobicContact CE2-CD1 3.87Å; F313-L356 HydrophobicContact CZ-CD1 3.77Å; F313-F358 HydrophobicContact CB-CE1 3.81Å; F313-F358 AromaticContact CD1-CE1 3.78Å; F313-F358 HydrophobicContact CD1-CE1 3.78Å; F313-F358 AromaticContact CD1-CZ 3.62Å; F313-F358 HydrophobicContact CD1-CZ 3.62Å; F313-F358 HydrophobicContact CE1-CZ 4.01Å; F313-F358 AromaticContact CG-CE1 3.94Å; F313-F358 HydrophobicContact CG-CE1 3.94Å; F313-F358 HydrophobicContact CG-CZ 4.2Å; F313-F368 HydrophobicContact CE1-CE1 4.29Å; F313-F368 HydrophobicContact CE1-CE2 4.35Å; F313-F368 AromaticContact CE1-CZ 3.85Å; F313-F368 HydrophobicContact CE1-CZ 3.85Å; F313-F368 HydrophobicContact CZ-CE1 4.42Å; F313-F368 HydrophobicContact CZ-CZ 4.25Å; F313-W379 HydrophobicContact CE2-CZ3 4.24Å; F313-M383 HydrophobicContact CD2-SD 3.92Å; F313-M383 HydrophobicContact CE2-CE 4.3Å; F313-M383 HydrophobicContact CE2-SD 3.93Å
314T90Very high80Confident17 Ų1777 Ų7710%0.10437%0.369CS..EExtended strand (participates in β ladder)trans-137.1134.4-176.7-45.30000110.1C304 T305 D333 E334 K335C304-T314 VanDerWaalsContact CA-O 3.29Å; C304-T314 WeakPolarHBondContact CA-O 3.38Å; T305-T314 PolarHBondContact N-O 2.9Å; T305-T314 PolarHBondContact O-N 3.38Å; T314-D333 HydrophobicContact CG2-CB 3.67Å; T314-E334 WeakPolarHBondContact CA-O 3.41Å; T314-K335 HydrophobicContact CG2-CG 3.97Å
315M88.4Confident78.1Confident10 Ų1082.4 Ų82.45%0.04939%0.392CS..EExtended strand (participates in β ladder)trans-122.9122.1-176.1-61.3-176.7-68.800112.1Y302 F313 E334 L336 F368Y302-M315 HydrophobicContact CD1-CB 3.82Å; Y302-M315 HydrophobicContact CE1-CB 4.36Å; Y302-M315 HydrophobicContact CG-CB 4.45Å; F313-M315 HydrophobicContact CD1-CG 3.85Å; F313-M315 HydrophobicContact CD1-SD 4.38Å; F313-M315 HydrophobicContact CE1-CG 3.45Å; F313-M315 VanDerWaalsContact CE1-CG 3.45Å; F313-M315 HydrophobicContact CE1-SD 3.84Å; F313-M315 HydrophobicContact CZ-CG 4.48Å; M315-E334 HydrophobicContact CE-CB 3.71Å; M315-E334 HydrophobicContact CE-CG 4.46Å; M315-E334 WeakPolarHBondContact CE-OE2 3.21Å; M315-E334 PolarHBondContact N-O 3.03Å; M315-L336 HydrophobicContact CE-CD1 3.68Å; M315-F368 HydrophobicContact SD-CE1 3.82Å; M315-F368 HydrophobicContact SD-CZ 3.55Å; M315-F368 VanDerWaalsContact SD-CZ 3.55Å
316L84.5Confident76Confident72 Ų7287.2 Ų87.238%0.37742%0.422SS..EExtended strand (participates in β ladder)trans-117117.7173.8178.963.8000110.1Y302 Y303 F318Y302-L316 CarbonylContact C-O 3.58Å; Y302-L316 WeakPolarHBondContact CA-O 3.31Å; Y303-L316 PolarHBondContact N-O 2.85Å; Y303-L316 PolarHBondContact O-N 3.47Å; L316-F318 PolarHBondContact O-N 2.73Å
317Q81.3Confident74Confident92 Ų9296.6 Ų96.643%0.4346%0.457SS..EExtended strand (participates in β ladder)trans-69.2116.9175.7-165-175.135.800108.9T300 Y302T300-Q317 HydrophobicContact CG2-CG 4.06Å; T300-Q317 VanDerWaalsContact CG2-NE2 3.31Å; Y302-Q317 HydrophobicContact CD1-CB 4.02Å; Y302-Q317 HydrophobicContact CE1-CB 3.68Å; Y302-Q317 HydrophobicContact CE1-CG 4.24Å
318F71.9Confident72Confident53 Ų5395.9 Ų95.923%0.23246%0.461CS..  trans-137117.9-169.5-172.2-86.9000112.2Y277 L316 Q320 F325Y277-F318 HydrophobicContact CE1-CB 4.39Å; Y277-F318 AromaticContact CE1-CD1 3.85Å; Y277-F318 HydrophobicContact CE1-CD1 3.85Å; Y277-F318 HydrophobicContact CE1-CG 4.43Å; L316-F318 PolarHBondContact O-N 2.73Å; F318-Q320 HydrophobicContact CD1-CG 4.03Å; F318-Q320 HydrophobicContact CE1-CB 4.45Å; F318-Q320 HydrophobicContact CE1-CG 3.64Å; F318-F325 AromaticContact CD2-CE2 3.68Å; F318-F325 HydrophobicContact CD2-CE2 3.68Å; F318-F325 AromaticContact CD2-CZ 3.64Å; F318-F325 HydrophobicContact CD2-CZ 3.64Å; F318-F325 HydrophobicContact CE2-CD2 4.25Å; F318-F325 HydrophobicContact CE2-CE1 4.38Å; F318-F325 AromaticContact CE2-CE2 3.3Å; F318-F325 HydrophobicContact CE2-CE2 3.3Å; F318-F325 AromaticContact CE2-CZ 3.39Å; F318-F325 HydrophobicContact CE2-CZ 3.39Å; F318-F325 HydrophobicContact CZ-CE2 4.12Å
319N70.5Confident70.4Confident91 Ų91101.7 Ų101.749%0.48749%0.489SS..  trans-102.9121.8172.1-176.81.4000110M321N319-M321 VanDerWaalsContact C-N 3.25Å; N319-M321 PolarHBondContact O-N 3.45Å; N319-M321 PolarHBondContact OD1-N 2.81Å
320Q72.3Confident68.7Low120 Ų12098.2 Ų98.256%0.56149%0.49SS*.THydrogen-bonded Turntrans-69.8-17.3-179.1-74.8167.7-69.400114.1F318F318-Q320 HydrophobicContact CD1-CG 4.03Å; F318-Q320 HydrophobicContact CE1-CB 4.45Å; F318-Q320 HydrophobicContact CE1-CG 3.64Å
321M71.9Confident67.1Low143 Ų14399.2 Ų99.270%0.70449%0.489SS*.THydrogen-bonded Turntrans-95-5.5-178-148.770.585.800113.9N319 H323N319-M321 VanDerWaalsContact C-N 3.25Å; N319-M321 PolarHBondContact O-N 3.45Å; N319-M321 PolarHBondContact OD1-N 2.81Å; M321-H323 PolarHBondContact O-N 3.33Å
322N62.2Low65.6Low105 Ų105102.9 Ų102.956%0.56152%0.515SS*.  trans-87.896.6178.9-97.913.3000110.8N324N322-N324 VanDerWaalsContact C-N 3.28Å; N322-N324 PolarHBondContact O-N 3.4Å
323H57.5Low64.3Low169 Ų169103.8 Ų103.878%0.78252%0.521SS*.  trans-66.8-24177.1-67.3-78000114.1M321 F325M321-H323 PolarHBondContact O-N 3.33Å; H323-F325 PolarHBondContact O-N 2.72Å
324N53.3Low63.4Low149 Ų149107.5 Ų107.580%0.79754%0.538SS*.  trans-77.570.6177.9-70.3-1.2000111.2N322 T326N322-N324 VanDerWaalsContact C-N 3.28Å; N322-N324 PolarHBondContact O-N 3.4Å; N324-T326 VanDerWaalsContact C-N 3.35Å; N324-T326 PolarHBondContact O-N 2.78Å
325F52Low63Low114 Ų114112.7 Ų112.750%0.556%0.559SS.*  trans-90.557.5-173-144.6-85000113.8F318 H323 R327F318-F325 AromaticContact CD2-CE2 3.68Å; F318-F325 HydrophobicContact CD2-CE2 3.68Å; F318-F325 AromaticContact CD2-CZ 3.64Å; F318-F325 HydrophobicContact CD2-CZ 3.64Å; F318-F325 HydrophobicContact CE2-CD2 4.25Å; F318-F325 HydrophobicContact CE2-CE1 4.38Å; F318-F325 AromaticContact CE2-CE2 3.3Å; F318-F325 HydrophobicContact CE2-CE2 3.3Å; F318-F325 AromaticContact CE2-CZ 3.39Å; F318-F325 HydrophobicContact CE2-CZ 3.39Å; F318-F325 HydrophobicContact CZ-CE2 4.12Å; H323-F325 PolarHBondContact O-N 2.72Å; F325-R327 PolarHBondContact O-N 2.92Å; F325-R327 VanDerWaalsContact O-N 3.12Å
326T44.7Very low63Low124 Ų124112.6 Ų112.676%0.76156%0.559SS**  trans-67106155.523.10000108.2N324 P328N324-T326 VanDerWaalsContact C-N 3.35Å; N324-T326 PolarHBondContact O-N 2.78Å; T326-P328 WeakPolarHBondContact O-CD 3.11Å; T326-P328 VanDerWaalsContact O-N 3.1Å
327R48.7Very low63.2Low197 Ų197111.1 Ų111.174%0.74355%0.553SS**  trans-54114.1169.4-176.7-175.4-171.5-1732.6107.7F325 E329F325-R327 PolarHBondContact O-N 2.92Å; F325-R327 VanDerWaalsContact O-N 3.12Å; R327-E329 PolarHBondContact O-N 2.74Å
328P44.9Very low63.5Low70 Ų70106.8 Ų106.846%0.45553%0.533SS..  trans-71.6107.8-173.4-18.332.6000109.8T326 A330 R331T326-P328 WeakPolarHBondContact O-CD 3.11Å; T326-P328 VanDerWaalsContact O-N 3.1Å; P328-A330 PolarHBondContact O-N 2.99Å; P328-R331 HydrophobicContact CB-CB 4.16Å; P328-R331 HydrophobicContact CB-CG 4.04Å; P328-R331 PolarHBondContact O-N 3.03Å; P328-R331 VanDerWaalsContact O-N 3.1Å
329E49.5Very low64.2Low183 Ų183110.5 Ų110.586%0.85555%0.549SS*.THydrogen-bonded Turntrans-65-2.3-177.1-58-175124.300113.8R327R327-E329 PolarHBondContact O-N 2.74Å
330A46.9Very low64.9Low96 Ų96108.1 Ų108.179%0.79354%0.54SS*.THydrogen-bonded Turntrans-129.924.5178.100000113.5P328P328-A330 PolarHBondContact O-N 2.99Å
331R51.6Low65.6Low162 Ų162102.9 Ų102.961%0.61152%0.516SS*.SBendtrans-105.8102.6160.3-79.5-168.6174.2-155.9-1.7108.9P328 D333P328-R331 HydrophobicContact CB-CB 4.16Å; P328-R331 HydrophobicContact CB-CG 4.04Å; P328-R331 PolarHBondContact O-N 3.03Å; P328-R331 VanDerWaalsContact O-N 3.1Å; R331-D333 PolarHBondContact O-N 3.26Å
332D54Low66Low156 Ų156102 Ų10283%0.83451%0.51SS*.  trans-56.7126.3172.8-75.6-58.6000110.8E334D332-E334 PolarHBondContact O-N 3.29Å; D332-E334 VanDerWaalsContact O-N 3.13Å
333D63.9Low66.7Low56 Ų56103.9 Ų103.930%0.29951%0.51SS..  trans-54.4113.6160.4-76.6-36.2000107.9T314 R331 K335T314-D333 HydrophobicContact CG2-CB 3.67Å; R331-D333 PolarHBondContact O-N 3.26Å; D333-K335 VanDerWaalsContact C-N 3.29Å; D333-K335 HydrophobicContact CB-CG 4.31Å; D333-K335 PolarHBondContact O-N 2.82Å; D333-K335 IonicContact OD2-NZ 2.77Å
334E70.6Confident67.4Low79 Ų7999 Ų9937%0.36948%0.484SS..EExtended strand (participates in β ladder)trans-65.594.5172-83.4-139.1147.300108.7T314 M315 D332 K361T314-E334 WeakPolarHBondContact CA-O 3.41Å; M315-E334 HydrophobicContact CE-CB 3.71Å; M315-E334 HydrophobicContact CE-CG 4.46Å; M315-E334 WeakPolarHBondContact CE-OE2 3.21Å; M315-E334 PolarHBondContact N-O 3.03Å; D332-E334 PolarHBondContact O-N 3.29Å; D332-E334 VanDerWaalsContact O-N 3.13Å; E334-K361 IonicContact OE1-NZ 2.73Å; E334-K361 PolarHBondContact OE1-NZ 2.68Å; E334-K361 IonicContact OE2-NZ 2.81Å; E334-K361 PolarHBondContact OE2-NZ 2.75Å
335K82.4Confident67.7Low125 Ų12595.4 Ų95.454%0.54348%0.475SS..EExtended strand (participates in β ladder)trans-88.2110.6172.8-70.9161.2-172.31490107.7F313 T314 D333F313-K335 WeakPolarHBondContact O-CA 3.35Å; T314-K335 HydrophobicContact CG2-CG 3.97Å; D333-K335 VanDerWaalsContact C-N 3.29Å; D333-K335 HydrophobicContact CB-CG 4.31Å; D333-K335 PolarHBondContact O-N 2.82Å; D333-K335 IonicContact OD2-NZ 2.77Å
336L87.6Confident67.8Low8 Ų895.9 Ų95.94%0.04249%0.493CS..EExtended strand (participates in β ladder)trans-123.6136.4-177.3-59176.2000109.2F313 M315 L338 F358 E360 K361F313-L336 WeakPolarHBondContact CB-O 3.39Å; F313-L336 PolarHBondContact N-O 3.17Å; F313-L336 PolarHBondContact O-N 3.48Å; M315-L336 HydrophobicContact CE-CD1 3.68Å; L336-L338 PolarHBondContact O-N 3.32Å; L336-F358 HydrophobicContact CB-CB 3.94Å; L336-F358 HydrophobicContact CB-CD1 3.38Å; L336-F358 HydrophobicContact CB-CD2 4.24Å; L336-F358 HydrophobicContact CB-CE1 3.87Å; L336-F358 HydrophobicContact CB-CG 3.59Å; L336-F358 HydrophobicContact CB-CZ 4.46Å; L336-F358 HydrophobicContact CD1-CB 4.36Å; L336-F358 HydrophobicContact CD1-CD1 4.24Å; L336-F358 HydrophobicContact CD1-CD2 3.57Å; L336-F358 HydrophobicContact CD1-CE1 4.44Å; L336-F358 HydrophobicContact CD1-CE2 3.79Å; L336-F358 HydrophobicContact CD1-CG 3.8Å; L336-F358 HydrophobicContact CD1-CZ 4.22Å; L336-F358 HydrophobicContact CG-CD1 4.44Å; L336-F358 HydrophobicContact CG-CG 4.27Å; L336-E360 HydrophobicContact CD2-CB 4.21Å; L336-E360 HydrophobicContact CD2-CG 4.47Å; L336-K361 HydrophobicContact CD2-CD 4.49Å
337T89.4Confident68.3Low42 Ų4299.4 Ų99.426%0.25850%0.501SS..EExtended strand (participates in β ladder)trans-85.4114.3176.9-490000108.6R311 F339 F358 K359 E360R311-T337 HydrophobicContact CB-CG2 4.49Å; T337-F339 PolarHBondContact O-N 3.08Å; T337-F358 WeakPolarHBondContact O-CA 3.34Å; T337-K359 HydrophobicContact CG2-CD 3.75Å; T337-K359 HydrophobicContact CG2-CG 4.3Å; T337-K359 PolarHBondContact O-N 3.32Å; T337-E360 WeakPolarHBondContact CB-OE1 3.42Å; T337-E360 PolarHBondContact N-OE1 3.05Å; T337-E360 PolarHBondContact N-OE2 3.38Å; T337-E360 PolarHBondContact OG1-OE1 2.97Å
338L88.1Confident69Low0 Ų093.2 Ų93.20%048%0.479CS..EExtended strand (participates in β ladder)trans-57.8124.8179.4-179.272.3000110.8F306 R311 L336 S340 L356 F358 M383F306-L338 HydrophobicContact CE2-CB 3.97Å; F306-L338 HydrophobicContact CE2-CD2 3.7Å; F306-L338 HydrophobicContact CE2-CG 4.48Å; F306-L338 HydrophobicContact CZ-CD2 3.92Å; R311-L338 HydrophobicContact CB-CB 4.33Å; R311-L338 VanDerWaalsContact CZ-O 3.26Å; R311-L338 PolarHBondContact NH1-O 3.24Å; R311-L338 VanDerWaalsContact NH1-O 3.11Å; R311-L338 PolarHBondContact O-N 3.44Å; L336-L338 PolarHBondContact O-N 3.32Å; L338-S340 VanDerWaalsContact CD1-O 3.32Å; L338-S340 WeakPolarHBondContact CD1-O 3.37Å; L338-L356 HydrophobicContact CD1-CB 4.26Å; L338-L356 HydrophobicContact CD1-CD1 4.39Å; L338-L356 HydrophobicContact CD1-CD2 3.9Å; L338-L356 HydrophobicContact CD1-CG 4.41Å; L338-F358 HydrophobicContact CD1-CE1 4.25Å; L338-M383 HydrophobicContact CD1-SD 4.35Å; L338-M383 HydrophobicContact CD2-CB 3.63Å; L338-M383 HydrophobicContact CD2-CG 3.82Å; L338-M383 WeakPolarHBondContact CD2-O 3.4Å; L338-M383 HydrophobicContact CD2-SD 4.08Å
339F86.9Confident70.1Confident131 Ų13197.7 Ų97.758%0.57549%0.494SS*.EExtended strand (participates in β ladder)trans-91.8-64.3171.4-176.1-101.8000109.7R311 T337 T357 K359R311-F339 PolarHBondContact NH1-O 3.48Å; R311-F339 PolarHBondContact NH2-O 3.01Å; T337-F339 PolarHBondContact O-N 3.08Å; F339-T357 WeakPolarHBondContact CB-O 3.37Å; F339-T357 WeakPolarHBondContact CD1-OG1 3.46Å; F339-T357 PolarHBondContact N-O 3Å; F339-K359 HydrophobicContact CB-CG 4.19Å; F339-K359 HydrophobicContact CD2-CG 4.15Å
340S85.2Confident71.5Confident41 Ų4192.6 Ų92.629%0.28747%0.469SS..EExtended strand (participates in β ladder)trans-133.4154.6174.375.40000113.1L338 L356 T357L338-S340 VanDerWaalsContact CD1-O 3.32Å; L338-S340 WeakPolarHBondContact CD1-O 3.37Å; S340-L356 WeakPolarHBondContact O-CA 3.47Å; S340-T357 PolarHBondContact N-O 2.95Å; S340-T357 PolarHBondContact N-OG1 2.86Å; S340-T357 PolarHBondContact O-N 2.78Å; S340-T357 PolarHBondContact OG-OG1 3.41Å
341C86.9Confident73.4Confident10 Ų1096.8 Ų96.87%0.06846%0.464CS..EExtended strand (participates in β ladder)trans-124.4123.3168.8177.70000107.8L356 M383 G385C341-L356 HydrophobicContact CB-CD2 3.61Å; C341-L356 WeakPolarHBondContact SG-CD2 3.25Å; C341-M383 HydrophobicContact CB-CB 3.97Å; C341-G385 WeakPolarHBondContact O-CA 3.18Å
342Q81Confident75.1Confident125 Ų12591.6 Ų91.658%0.58445%0.446SS*.EExtended strand (participates in β ladder)trans-131130.5-175.8-175.4173.1-1.300110.7D355Q342-D355 PolarHBondContact N-O 2.94Å; Q342-D355 PolarHBondContact O-N 2.68Å
343R76.4Confident76.8Confident144 Ų14484.6 Ų84.654%0.54341%0.409SS..EExtended strand (participates in β ladder)trans-70.2131.4171.8-179174.5170.3176-6.2109.9I380 E387R343-I380 HydrophobicContact CB-CD1 4.05Å; R343-I380 HydrophobicContact CG-CD1 4.37Å; R343-E387 IonicContact NH1-OE1 3.19Å
344R71.8Confident78Confident67 Ų6781.9 Ų81.925%0.25340%0.395SS..PPolyproline II helixtrans-77.3143.9174.2-173.7168.2-74.1-172.2-5.7110.7F348 C353 D355 T367R344-F348 HydrophobicContact CG-CB 4.14Å; R344-F348 VanDerWaalsContact NH1-CZ 3.28Å; R344-C353 PolarHBondContact N-O 2.95Å; R344-D355 IonicContact CZ-OD1 2.64Å; R344-D355 IonicContact CZ-OD2 2.79Å; R344-D355 IonicContact NE-OD1 2.88Å; R344-D355 IonicContact NE-OD2 2.64Å; R344-D355 PolarHBondContact NE-OD2 2.84Å; R344-D355 IonicContact NH2-OD1 3.63Å; R344-D355 PolarHBondContact NH2-OD1 3.37Å; R344-D355 IonicContact NH2-OD2 2.85Å; R344-D355 PolarHBondContact NH2-OD2 3.39Å; R344-T367 PolarHBondContact NH1-OG1 3.16Å; R344-T367 PolarHBondContact NH2-OG1 3.32Å
345A58.7Low78.9Confident73 Ų7379 Ų7960%0.60338%0.382SS*.PPolyproline II helixtrans-67.4162.1175.900000112.1E347A345-E347 PolarHBondContact O-N 2.96Å; A345-E347 VanDerWaalsContact O-N 3.1Å
346S55.7Low79.3Confident124 Ų12473 Ų7387%0.86736%0.356SS*.THydrogen-bonded Turntrans-73.4-1.2-166.5-161.60000116F348S346-F348 PolarHBondContact O-N 3.38Å
347E53.8Low79.4Confident199 Ų19974 Ų7493%0.9336%0.362SS*.THydrogen-bonded Turntrans-819.5-179.8-61.2177.6153.700113A345A345-E347 PolarHBondContact O-N 2.96Å; A345-E347 VanDerWaalsContact O-N 3.1Å
348F64.3Low79.4Confident67 Ų6772.1 Ų72.129%0.29435%0.35SS..SBendtrans-103.2129.6179.7-164.3-107.5000112M281 W299 R344 S346 K350 C353 T367M281-F348 HydrophobicContact SD-CZ 3.82Å; W299-F348 AromaticContact CH2-CE1 4Å; W299-F348 HydrophobicContact CH2-CE1 4Å; W299-F348 HydrophobicContact CH2-CZ 4.49Å; W299-F348 AromaticContact CZ2-CE1 3.83Å; W299-F348 HydrophobicContact CZ2-CE1 3.83Å; W299-F348 HydrophobicContact CZ2-CZ 4.05Å; R344-F348 HydrophobicContact CG-CB 4.14Å; R344-F348 VanDerWaalsContact NH1-CZ 3.28Å; S346-F348 PolarHBondContact O-N 3.38Å; F348-K350 HydrophobicContact CD1-CB 4.25Å; F348-K350 HydrophobicContact CE1-CB 4.07Å; F348-K350 HydrophobicContact CE1-CG 4.4Å; F348-K350 PolarHBondContact O-N 3.31Å; F348-K350 VanDerWaalsContact O-N 3.09Å; F348-C353 HydrophobicContact CD1-CB 4.04Å; F348-C353 HydrophobicContact CE1-CB 4.34Å; F348-T367 HydrophobicContact CE1-CG2 4.46Å
349E67.3Low79.4Confident163 Ų16377.8 Ų77.876%0.76238%0.375SS*.SBendtrans-58.2-27.1-169.5-162.7-148.3127.200114.9
350K80Confident79.3Confident76 Ų7675.9 Ų75.933%0.3337%0.368SS..SBendtrans-98127.2-178.6-61.1-50.9-175.3-147.10111.6W299 F348 C353W299-K350 HydrophobicContact CH2-CB 4.42Å; W299-K350 HydrophobicContact CH2-CG 4.41Å; W299-K350 HydrophobicContact CZ2-CB 4.22Å; W299-K350 HydrophobicContact CZ2-CG 3.75Å; F348-K350 HydrophobicContact CD1-CB 4.25Å; F348-K350 HydrophobicContact CE1-CB 4.07Å; F348-K350 HydrophobicContact CE1-CG 4.4Å; F348-K350 PolarHBondContact O-N 3.31Å; F348-K350 VanDerWaalsContact O-N 3.09Å; K350-C353 VanDerWaalsContact CB-SG 3.59Å; K350-C353 PolarHBondContact O-SG 3.03Å; K350-C353 VanDerWaalsContact O-SG 3.37Å
351R85.3Confident79.3Confident185 Ų18576.4 Ų76.470%0.69837%0.365SS*.THydrogen-bonded Turntrans-65.5151.8174.9-61.4-168.7-62.6175.8-1.2111.8C353 Q369R351-C353 VanDerWaalsContact C-N 3.31Å; R351-C353 PolarHBondContact O-N 3.18Å; R351-Q369 PolarHBondContact O-NE2 2.57Å
352F88Confident78.9Confident53 Ų5381.1 Ų81.123%0.23240%0.396CS..THydrogen-bonded Turntrans62.233.9172.9-40-45.8000114.1Q369 A370 E373 H376F352-Q369 WeakPolarHBondContact O-CA 3.47Å; F352-A370 HydrophobicContact CB-CB 4.29Å; F352-A370 PolarHBondContact O-N 3.1Å; F352-E373 HydrophobicContact CD1-CB 4.04Å; F352-E373 HydrophobicContact CD1-CG 4.43Å; F352-E373 HydrophobicContact CE1-CB 3.54Å; F352-E373 HydrophobicContact CE1-CG 4.09Å; F352-E373 HydrophobicContact CZ-CB 4.14Å; F352-H376 VanDerWaalsContact C-CD2 3.45Å; F352-H376 HydrophobicContact CB-CB 4.16Å; F352-H376 PolarHBondContact O-CD2 3.25Å; F352-H376 VanDerWaalsContact O-CD2 3.26Å
353C89.2Confident78.7Confident8 Ų879.1 Ų79.15%0.05441%0.408CS..EExtended strand (participates in β ladder)trans-92.2135177.7-71.80000113.3R344 F348 K350 R351 T367 F368R344-C353 PolarHBondContact N-O 2.95Å; F348-C353 HydrophobicContact CD1-CB 4.04Å; F348-C353 HydrophobicContact CE1-CB 4.34Å; K350-C353 VanDerWaalsContact CB-SG 3.59Å; K350-C353 PolarHBondContact O-SG 3.03Å; K350-C353 VanDerWaalsContact O-SG 3.37Å; R351-C353 VanDerWaalsContact C-N 3.31Å; R351-C353 PolarHBondContact O-N 3.18Å; C353-T367 HydrophobicContact CB-CG2 4.22Å; C353-F368 CarbonylContact C-O 3.6Å; C353-F368 VanDerWaalsContact CA-O 3.22Å; C353-F368 WeakPolarHBondContact CA-O 3.24Å
354F89.8Confident79.1Confident0 Ų075.5 Ų75.50%040%0.402CS..EExtended strand (participates in β ladder)trans-139.4152.6175.362.3-81.4000109.7L278 L356 F368 A370 H376 W379 I380 M383L278-F354 HydrophobicContact CD1-CZ 3.83Å; L278-F354 HydrophobicContact CD2-CE1 3.91Å; L278-F354 HydrophobicContact CD2-CZ 3.81Å; L278-F354 HydrophobicContact CG-CZ 4.49Å; F354-L356 HydrophobicContact CD2-CD2 3.74Å; F354-L356 HydrophobicContact CD2-CG 4.08Å; F354-L356 HydrophobicContact CE2-CD1 4.12Å; F354-L356 HydrophobicContact CE2-CD2 3.77Å; F354-L356 HydrophobicContact CE2-CG 3.88Å; F354-F368 HydrophobicContact CD1-CB 4.49Å; F354-F368 HydrophobicContact CD2-CB 4.48Å; F354-F368 HydrophobicContact CE1-CB 3.93Å; F354-F368 HydrophobicContact CE2-CB 3.92Å; F354-F368 HydrophobicContact CE2-CD2 4.48Å; F354-F368 HydrophobicContact CZ-CB 3.64Å; F354-F368 HydrophobicContact CZ-CG 4.47Å; F354-F368 PolarHBondContact N-O 3.02Å; F354-F368 PolarHBondContact O-N 3.38Å; F354-A370 HydrophobicContact CE1-CB 4.14Å; F354-H376 AromaticContact CD1-CD2 3.75Å; F354-W379 HydrophobicContact CE1-CB 4.42Å; F354-W379 HydrophobicContact CZ-CB 4.1Å; F354-W379 HydrophobicContact CZ-CG 4.38Å; F354-I380 HydrophobicContact CB-CD1 4.46Å; F354-M383 HydrophobicContact CD2-CE 4.48Å; F354-M383 HydrophobicContact CE2-CE 3.63Å; F354-M383 HydrophobicContact CZ-CE 4.19Å
355D89.8Confident79.7Confident18 Ų1876.1 Ų76.110%0.09641%0.413CS..EExtended strand (participates in β ladder)trans-107127.7-176-77.3-47.3000110.2Q342 R344 V365 Y366 T367Q342-D355 PolarHBondContact N-O 2.94Å; Q342-D355 PolarHBondContact O-N 2.68Å; R344-D355 IonicContact CZ-OD1 2.64Å; R344-D355 IonicContact CZ-OD2 2.79Å; R344-D355 IonicContact NE-OD1 2.88Å; R344-D355 IonicContact NE-OD2 2.64Å; R344-D355 PolarHBondContact NE-OD2 2.84Å; R344-D355 IonicContact NH2-OD1 3.63Å; R344-D355 PolarHBondContact NH2-OD1 3.37Å; R344-D355 IonicContact NH2-OD2 2.85Å; R344-D355 PolarHBondContact NH2-OD2 3.39Å; D355-V365 HydrophobicContact CB-CG1 3.6Å; D355-V365 WeakPolarHBondContact OD1-CG1 3.46Å; D355-Y366 WeakPolarHBondContact CA-O 3.33Å; D355-T367 VanDerWaalsContact OD1-CA 3.26Å; D355-T367 WeakPolarHBondContact OD1-CA 3.37Å; D355-T367 VanDerWaalsContact OD1-CB 3.26Å; D355-T367 WeakPolarHBondContact OD1-CB 3.46Å; D355-T367 PolarHBondContact OD1-OG1 3.06Å
356L90.7Very high81.2Confident0 Ų074.5 Ų74.50%039%0.392CS..EExtended strand (participates in β ladder)trans-106.8144.8171-57.6-171.5000110.2F313 L338 S340 C341 F354 F358 Y366 F368 M383F313-L356 HydrophobicContact CD2-CD1 4.28Å; F313-L356 HydrophobicContact CE1-CD1 4.12Å; F313-L356 HydrophobicContact CE2-CD1 3.87Å; F313-L356 HydrophobicContact CZ-CD1 3.77Å; L338-L356 HydrophobicContact CD1-CB 4.26Å; L338-L356 HydrophobicContact CD1-CD1 4.39Å; L338-L356 HydrophobicContact CD1-CD2 3.9Å; L338-L356 HydrophobicContact CD1-CG 4.41Å; S340-L356 WeakPolarHBondContact O-CA 3.47Å; C341-L356 HydrophobicContact CB-CD2 3.61Å; C341-L356 WeakPolarHBondContact SG-CD2 3.25Å; F354-L356 HydrophobicContact CD2-CD2 3.74Å; F354-L356 HydrophobicContact CD2-CG 4.08Å; F354-L356 HydrophobicContact CE2-CD1 4.12Å; F354-L356 HydrophobicContact CE2-CD2 3.77Å; F354-L356 HydrophobicContact CE2-CG 3.88Å; L356-F358 HydrophobicContact CB-CE1 4.38Å; L356-F358 HydrophobicContact CB-CE2 3.98Å; L356-F358 HydrophobicContact CB-CZ 3.75Å; L356-F358 HydrophobicContact CD1-CE1 4.3Å; L356-F358 HydrophobicContact CD1-CZ 3.75Å; L356-F358 HydrophobicContact CG-CZ 4.42Å; L356-Y366 PolarHBondContact N-O 2.81Å; L356-Y366 PolarHBondContact O-N 3.25Å; L356-F368 HydrophobicContact CB-CD2 4.2Å; L356-F368 HydrophobicContact CB-CE2 4.03Å; L356-F368 HydrophobicContact CD1-CD2 3.74Å; L356-F368 HydrophobicContact CD1-CE2 3.64Å; L356-F368 HydrophobicContact CG-CD2 3.75Å; L356-F368 HydrophobicContact CG-CE2 3.93Å; L356-M383 HydrophobicContact CD1-CE 4.05Å; L356-M383 HydrophobicContact CD1-SD 3.81Å; L356-M383 HydrophobicContact CD2-CE 3.93Å; L356-M383 HydrophobicContact CD2-SD 3.89Å
357T88.8Confident82.8Confident28 Ų2868.7 Ų68.717%0.17235%0.351CS..EExtended strand (participates in β ladder)trans-123.1148.4165.965.10000109.5F339 S340 V365F339-T357 WeakPolarHBondContact CB-O 3.37Å; F339-T357 WeakPolarHBondContact CD1-OG1 3.46Å; F339-T357 PolarHBondContact N-O 3Å; S340-T357 PolarHBondContact N-O 2.95Å; S340-T357 PolarHBondContact N-OG1 2.86Å; S340-T357 PolarHBondContact O-N 2.78Å; S340-T357 PolarHBondContact OG-OG1 3.41Å; T357-V365 HydrophobicContact CG2-CG2 4.2Å
358F90.5Very high84.7Confident2 Ų259.2 Ų59.21%0.00931%0.307CS..EExtended strand (participates in β ladder)trans-126.8145.6-173.1-60-72.5000111.1F313 L336 T337 L338 L356 E360 K361 Y366 F368F313-F358 HydrophobicContact CB-CE1 3.81Å; F313-F358 AromaticContact CD1-CE1 3.78Å; F313-F358 HydrophobicContact CD1-CE1 3.78Å; F313-F358 AromaticContact CD1-CZ 3.62Å; F313-F358 HydrophobicContact CD1-CZ 3.62Å; F313-F358 HydrophobicContact CE1-CZ 4.01Å; F313-F358 AromaticContact CG-CE1 3.94Å; F313-F358 HydrophobicContact CG-CE1 3.94Å; F313-F358 HydrophobicContact CG-CZ 4.2Å; L336-F358 HydrophobicContact CB-CB 3.94Å; L336-F358 HydrophobicContact CB-CD1 3.38Å; L336-F358 HydrophobicContact CB-CD2 4.24Å; L336-F358 HydrophobicContact CB-CE1 3.87Å; L336-F358 HydrophobicContact CB-CG 3.59Å; L336-F358 HydrophobicContact CB-CZ 4.46Å; L336-F358 HydrophobicContact CD1-CB 4.36Å; L336-F358 HydrophobicContact CD1-CD1 4.24Å; L336-F358 HydrophobicContact CD1-CD2 3.57Å; L336-F358 HydrophobicContact CD1-CE1 4.44Å; L336-F358 HydrophobicContact CD1-CE2 3.79Å; L336-F358 HydrophobicContact CD1-CG 3.8Å; L336-F358 HydrophobicContact CD1-CZ 4.22Å; L336-F358 HydrophobicContact CG-CD1 4.44Å; L336-F358 HydrophobicContact CG-CG 4.27Å; T337-F358 WeakPolarHBondContact O-CA 3.34Å; L338-F358 HydrophobicContact CD1-CE1 4.25Å; L356-F358 HydrophobicContact CB-CE1 4.38Å; L356-F358 HydrophobicContact CB-CE2 3.98Å; L356-F358 HydrophobicContact CB-CZ 3.75Å; L356-F358 HydrophobicContact CD1-CE1 4.3Å; L356-F358 HydrophobicContact CD1-CZ 3.75Å; L356-F358 HydrophobicContact CG-CZ 4.42Å; F358-E360 PolarHBondContact O-N 3.24Å; F358-K361 CarbonylContact O-C 3.46Å; F358-K361 PolarHBondContact O-N 2.96Å; F358-Y366 AromaticContact CD2-CD2 3.74Å; F358-Y366 HydrophobicContact CD2-CD2 3.74Å; F358-Y366 HydrophobicContact CD2-CE2 4.1Å; F358-Y366 HydrophobicContact CD2-CG 4.18Å; F358-Y366 HydrophobicContact CE2-CD1 4.35Å; F358-Y366 AromaticContact CE2-CD2 3.87Å; F358-Y366 HydrophobicContact CE2-CD2 3.87Å; F358-Y366 HydrophobicContact CE2-CE2 4.49Å; F358-Y366 AromaticContact CE2-CG 3.82Å; F358-Y366 HydrophobicContact CE2-CG 3.82Å; F358-F368 HydrophobicContact CE2-CE2 4.35Å; F358-F368 HydrophobicContact CZ-CE2 4.32Å
359K87.5Confident86Confident120 Ų12058 Ų5852%0.52230%0.302SS..THydrogen-bonded Turntrans-62.8-32.4-176.2-67.4-173.2-176.6178.90112.9T337 F339 K361T337-K359 HydrophobicContact CG2-CD 3.75Å; T337-K359 HydrophobicContact CG2-CG 4.3Å; T337-K359 PolarHBondContact O-N 3.32Å; F339-K359 HydrophobicContact CB-CG 4.19Å; F339-K359 HydrophobicContact CD2-CG 4.15Å; K359-K361 VanDerWaalsContact C-N 3.3Å
360E85.5Confident87.2Confident90 Ų9050.3 Ų50.342%0.42127%0.266SS..THydrogen-bonded Turntrans-76.8-17.4-177-57.776.2-168.400112.6L336 T337 F358L336-E360 HydrophobicContact CD2-CB 4.21Å; L336-E360 HydrophobicContact CD2-CG 4.47Å; T337-E360 WeakPolarHBondContact CB-OE1 3.42Å; T337-E360 PolarHBondContact N-OE1 3.05Å; T337-E360 PolarHBondContact N-OE2 3.38Å; T337-E360 PolarHBondContact OG1-OE1 2.97Å; F358-E360 PolarHBondContact O-N 3.24Å
361K83.7Confident87.7Confident52 Ų5251.2 Ų51.223%0.22627%0.274CS..SBendtrans-134.160.5-175.5-61.1180-175.3175.70110.6E334 L336 F358 K359 V364 Y366E334-K361 IonicContact OE1-NZ 2.73Å; E334-K361 PolarHBondContact OE1-NZ 2.68Å; E334-K361 IonicContact OE2-NZ 2.81Å; E334-K361 PolarHBondContact OE2-NZ 2.75Å; L336-K361 HydrophobicContact CD2-CD 4.49Å; F358-K361 CarbonylContact O-C 3.46Å; F358-K361 PolarHBondContact O-N 2.96Å; K359-K361 VanDerWaalsContact C-N 3.3Å; K361-V364 HydrophobicContact CB-CB 4.18Å; K361-V364 HydrophobicContact CB-CG2 4.16Å; K361-V364 WeakPolarHBondContact O-CB 3.17Å; K361-V364 PolarHBondContact O-N 3.17Å; K361-V364 VanDerWaalsContact O-N 3.12Å; K361-Y366 HydrophobicContact CD-CE2 4Å; K361-Y366 WeakPolarHBondContact CD-OH 3.1Å; K361-Y366 PolarHBondContact NZ-OH 3.06Å; K361-Y366 VanDerWaalsContact NZ-OH 3.08Å
362P79.4Confident87.8Confident110 Ų11044.7 Ų44.771%0.71426%0.257SS*.THydrogen-bonded Turntrans-60.2139.6-176.526.9-35.2000111.4V364P362-V364 PolarHBondContact O-N 2.77Å
363G76.6Confident87.7Confident82 Ų8247 Ų4785%0.84527%0.269SS*.THydrogen-bonded Turntrans80-11.1-175.100000115.2
364V85Confident87.4Confident68 Ų6852 Ų5241%0.41229%0.289SS..  trans-90.6121.2174.7-170.40000110.1K361 P362 Y366K361-V364 HydrophobicContact CB-CB 4.18Å; K361-V364 HydrophobicContact CB-CG2 4.16Å; K361-V364 WeakPolarHBondContact O-CB 3.17Å; K361-V364 PolarHBondContact O-N 3.17Å; K361-V364 VanDerWaalsContact O-N 3.12Å; P362-V364 PolarHBondContact O-N 2.77Å; V364-Y366 HydrophobicContact CB-CD2 4.46Å; V364-Y366 HydrophobicContact CB-CE2 4.03Å; V364-Y366 HydrophobicContact CG1-CD2 3.87Å; V364-Y366 HydrophobicContact CG1-CE2 3.44Å; V364-Y366 VanDerWaalsContact CG1-CE2 3.44Å
365V85.3Confident87.3Confident81 Ų8153.1 Ų53.149%0.49130%0.295SS..EExtended strand (participates in β ladder)trans-101.3118.2177.2-175.50000109.6D355 T357D355-V365 HydrophobicContact CB-CG1 3.6Å; D355-V365 WeakPolarHBondContact OD1-CG1 3.46Å; T357-V365 HydrophobicContact CG2-CG2 4.2Å
366Y89.7Confident87.2Confident39 Ų3952.7 Ų52.715%0.15329%0.293CS..EExtended strand (participates in β ladder)trans-97.9108.3179.5-78.2-105.9000110.3L280 D355 L356 F358 K361 V364 F368L280-Y366 HydrophobicContact CD1-CD1 3.68Å; L280-Y366 HydrophobicContact CD1-CG 4.4Å; L280-Y366 HydrophobicContact CD2-CD1 3.99Å; L280-Y366 HydrophobicContact CD2-CE1 4.21Å; D355-Y366 WeakPolarHBondContact CA-O 3.33Å; L356-Y366 PolarHBondContact N-O 2.81Å; L356-Y366 PolarHBondContact O-N 3.25Å; F358-Y366 AromaticContact CD2-CD2 3.74Å; F358-Y366 HydrophobicContact CD2-CD2 3.74Å; F358-Y366 HydrophobicContact CD2-CE2 4.1Å; F358-Y366 HydrophobicContact CD2-CG 4.18Å; F358-Y366 HydrophobicContact CE2-CD1 4.35Å; F358-Y366 AromaticContact CE2-CD2 3.87Å; F358-Y366 HydrophobicContact CE2-CD2 3.87Å; F358-Y366 HydrophobicContact CE2-CE2 4.49Å; F358-Y366 AromaticContact CE2-CG 3.82Å; F358-Y366 HydrophobicContact CE2-CG 3.82Å; K361-Y366 HydrophobicContact CD-CE2 4Å; K361-Y366 WeakPolarHBondContact CD-OH 3.1Å; K361-Y366 PolarHBondContact NZ-OH 3.06Å; K361-Y366 VanDerWaalsContact NZ-OH 3.08Å; V364-Y366 HydrophobicContact CB-CD2 4.46Å; V364-Y366 HydrophobicContact CB-CE2 4.03Å; V364-Y366 HydrophobicContact CG1-CD2 3.87Å; V364-Y366 HydrophobicContact CG1-CE2 3.44Å; V364-Y366 VanDerWaalsContact CG1-CE2 3.44Å; Y366-F368 HydrophobicContact CD1-CE2 4.49Å; Y366-F368 HydrophobicContact CD1-CZ 4.35Å; Y366-F368 HydrophobicContact CG-CE2 4.43Å; Y366-F368 WeakPolarHBondContact O-CD2 3.44Å
367T89.8Confident87Confident2 Ų257.9 Ų57.91%0.01231%0.312CS..EExtended strand (participates in β ladder)trans-85.5115.4177.2-49.60000110.8M281 W299 R344 F348 C353 D355M281-T367 PolarHBondContact N-O 3.03Å; W299-T367 HydrophobicContact CH2-CG2 4.07Å; R344-T367 PolarHBondContact NH1-OG1 3.16Å; R344-T367 PolarHBondContact NH2-OG1 3.32Å; F348-T367 HydrophobicContact CE1-CG2 4.46Å; C353-T367 HydrophobicContact CB-CG2 4.22Å; D355-T367 VanDerWaalsContact OD1-CA 3.26Å; D355-T367 WeakPolarHBondContact OD1-CA 3.37Å; D355-T367 VanDerWaalsContact OD1-CB 3.26Å; D355-T367 WeakPolarHBondContact OD1-CB 3.46Å; D355-T367 PolarHBondContact OD1-OG1 3.06Å
368F92.3Very high86.8Confident0 Ų060.1 Ų60.10%032%0.318CS..EExtended strand (participates in β ladder)trans-104.4152.8173-66.6-88.5000111.4L278 F279 L280 F313 M315 C353 F354 L356 F358 Y366L278-F368 HydrophobicContact CB-CB 4.47Å; L278-F368 HydrophobicContact CB-CD1 3.91Å; L278-F368 HydrophobicContact CD1-CB 4.25Å; L278-F368 HydrophobicContact CD1-CD1 4Å; L278-F368 HydrophobicContact CD1-CG 4.21Å; F279-F368 CarbonylContact O-C 3.49Å; F279-F368 VanDerWaalsContact O-CA 3.26Å; F279-F368 WeakPolarHBondContact O-CA 3.42Å; L280-F368 HydrophobicContact CB-CD1 4.07Å; L280-F368 HydrophobicContact CB-CE1 3.86Å; L280-F368 HydrophobicContact CD1-CD1 4.29Å; L280-F368 HydrophobicContact CD1-CE1 3.95Å; L280-F368 HydrophobicContact CD1-CE2 4.27Å; L280-F368 HydrophobicContact CD1-CZ 3.94Å; L280-F368 HydrophobicContact CD2-CE1 4.46Å; L280-F368 HydrophobicContact CG-CE1 4.3Å; F313-F368 HydrophobicContact CE1-CE1 4.29Å; F313-F368 HydrophobicContact CE1-CE2 4.35Å; F313-F368 AromaticContact CE1-CZ 3.85Å; F313-F368 HydrophobicContact CE1-CZ 3.85Å; F313-F368 HydrophobicContact CZ-CE1 4.42Å; F313-F368 HydrophobicContact CZ-CZ 4.25Å; M315-F368 HydrophobicContact SD-CE1 3.82Å; M315-F368 HydrophobicContact SD-CZ 3.55Å; M315-F368 VanDerWaalsContact SD-CZ 3.55Å; C353-F368 CarbonylContact C-O 3.6Å; C353-F368 VanDerWaalsContact CA-O 3.22Å; C353-F368 WeakPolarHBondContact CA-O 3.24Å; F354-F368 HydrophobicContact CD1-CB 4.49Å; F354-F368 HydrophobicContact CD2-CB 4.48Å; F354-F368 HydrophobicContact CE1-CB 3.93Å; F354-F368 HydrophobicContact CE2-CB 3.92Å; F354-F368 HydrophobicContact CE2-CD2 4.48Å; F354-F368 HydrophobicContact CZ-CB 3.64Å; F354-F368 HydrophobicContact CZ-CG 4.47Å; F354-F368 PolarHBondContact N-O 3.02Å; F354-F368 PolarHBondContact O-N 3.38Å; L356-F368 HydrophobicContact CB-CD2 4.2Å; L356-F368 HydrophobicContact CB-CE2 4.03Å; L356-F368 HydrophobicContact CD1-CD2 3.74Å; L356-F368 HydrophobicContact CD1-CE2 3.64Å; L356-F368 HydrophobicContact CG-CD2 3.75Å; L356-F368 HydrophobicContact CG-CE2 3.93Å; F358-F368 HydrophobicContact CE2-CE2 4.35Å; F358-F368 HydrophobicContact CZ-CE2 4.32Å; Y366-F368 HydrophobicContact CD1-CE2 4.49Å; Y366-F368 HydrophobicContact CD1-CZ 4.35Å; Y366-F368 HydrophobicContact CG-CE2 4.43Å; Y366-F368 WeakPolarHBondContact O-CD2 3.44Å
369Q91.4Very high86.7Confident41 Ų4160 Ų6019%0.19232%0.318CS..EExtended strand (participates in β ladder)trans-117.4127.4169.7170.717255.300109.9L278 F279 W299 R351 F352L278-Q369 WeakPolarHBondContact CA-O 3.28Å; F279-Q369 HydrophobicContact CB-CB 4.27Å; F279-Q369 PolarHBondContact N-O 3.43Å; F279-Q369 PolarHBondContact O-N 2.74Å; W299-Q369 HydrophobicContact CE3-CB 4.22Å; W299-Q369 HydrophobicContact CH2-CB 4.41Å; W299-Q369 HydrophobicContact CZ3-CB 3.67Å; R351-Q369 PolarHBondContact O-NE2 2.57Å; F352-Q369 WeakPolarHBondContact O-CA 3.47Å
370A92.1Very high86.7Confident2 Ų254.5 Ų54.52%0.01729%0.294CS..EExtended strand (participates in β ladder)trans-85.3159.6172.700000112.5L278 F352 F354 S372 D375 H376L278-A370 HydrophobicContact CD2-CB 4.05Å; F352-A370 HydrophobicContact CB-CB 4.29Å; F352-A370 PolarHBondContact O-N 3.1Å; F354-A370 HydrophobicContact CE1-CB 4.14Å; A370-S372 VanDerWaalsContact C-N 3.32Å; A370-S372 PolarHBondContact O-N 3.39Å; A370-D375 HydrophobicContact CB-CB 4.46Å; A370-H376 HydrophobicContact CB-CB 3.87Å
371L90.7Very high86.5Confident95 Ų9554 Ų5450%0.49730%0.3SS..SBendtrans-72-23.4-174.7-58.9-177.6000114F279 D375F279-L371 HydrophobicContact CD2-CD2 4.41Å; F279-L371 HydrophobicContact CE2-CD2 3.91Å; L371-D375 PolarHBondContact N-OD2 2.64Å
372S87.3Confident86.6Confident47 Ų4752.4 Ų52.433%0.32930%0.297SS..SBendtrans-159.4166.4-178.964.90000110.8A370 K374 D375 H376A370-S372 VanDerWaalsContact C-N 3.32Å; A370-S372 PolarHBondContact O-N 3.39Å; S372-K374 PolarHBondContact O-N 3.21Å; S372-D375 PolarHBondContact O-N 2.88Å; S372-D375 WeakPolarHBondContact OG-CB 3.49Å; S372-D375 PolarHBondContact OG-N 2.81Å; S372-D375 VanDerWaalsContact OG-N 3.13Å; S372-H376 VanDerWaalsContact O-CB 3.27Å; S372-H376 WeakPolarHBondContact O-CB 3.43Å; S372-H376 PolarHBondContact O-N 3.39Å
373E85.9Confident86.9Confident103 Ų10347.2 Ų47.248%0.48126%0.263SS..Hα-helixtrans-60.4-31.2173.9-160.1-154.2-177.400113.2F352 R377F352-E373 HydrophobicContact CD1-CB 4.04Å; F352-E373 HydrophobicContact CD1-CG 4.43Å; F352-E373 HydrophobicContact CE1-CB 3.54Å; F352-E373 HydrophobicContact CE1-CG 4.09Å; F352-E373 HydrophobicContact CZ-CB 4.14Å; E373-R377 WeakPolarHBondContact O-CG 3.27Å; E373-R377 PolarHBondContact O-N 3.48Å; E373-R377 VanDerWaalsContact O-N 3.13Å; E373-R377 PolarHBondContact O-NE 3.08Å; E373-R377 IonicContact OE1-CZ 3.66Å; E373-R377 IonicContact OE1-NE 2.86Å; E373-R377 IonicContact OE1-NH2 4Å; E373-R377 PolarHBondContact OE1-NH2 3.05Å; E373-R377 IonicContact OE2-CZ 2.72Å; E373-R377 IonicContact OE2-NH2 3.26Å; E373-R377 PolarHBondContact OE2-NH2 3.01Å
374K84.4Confident86.9Confident111 Ų11147.9 Ų47.948%0.48325%0.247SC..Hα-helixtrans-72.5-45.1176.4-172.8170.6-179177.50110.9S372 H376 R377 Y378S372-K374 PolarHBondContact O-N 3.21Å; K374-H376 VanDerWaalsContact C-N 3.34Å; K374-H376 PolarHBondContact O-N 3.35Å; K374-R377 PolarHBondContact O-N 2.96Å; K374-Y378 HydrophobicContact CD-CE2 4.11Å; K374-Y378 VanDerWaalsContact CE-CE2 3.46Å; K374-Y378 VanDerWaalsContact CE-CZ 3.44Å; K374-Y378 WeakPolarHBondContact CE-OH 3.47Å; K374-Y378 HydrophobicContact CG-CD2 4.11Å; K374-Y378 HydrophobicContact CG-CE2 3.62Å; K374-Y378 PolarHBondContact NZ-OH 2.73Å; K374-Y378 WeakPolarHBondContact O-CD2 3.29Å; K374-Y378 PolarHBondContact O-N 2.91Å; K374-Y378 VanDerWaalsContact O-N 3.1Å
375D87.8Confident85.9Confident24 Ų2445.1 Ų45.113%0.12823%0.233CC..Hα-helixtrans-64-38.7174.8-172.353.9000111.9K274 A370 L371 S372 Y378 W379K274-D375 IonicContact NZ-OD1 2.72Å; K274-D375 PolarHBondContact NZ-OD1 3.04Å; A370-D375 HydrophobicContact CB-CB 4.46Å; L371-D375 PolarHBondContact N-OD2 2.64Å; S372-D375 PolarHBondContact O-N 2.88Å; S372-D375 WeakPolarHBondContact OG-CB 3.49Å; S372-D375 PolarHBondContact OG-N 2.81Å; S372-D375 VanDerWaalsContact OG-N 3.13Å; D375-Y378 PolarHBondContact O-N 3.21Å; D375-W379 PolarHBondContact O-N 3.35Å; D375-W379 PolarHBondContact OD1-NE1 3.19Å; D375-W379 PolarHBondContact OD2-NE1 3.09Å; D375-W379 VanDerWaalsContact OD2-NE1 3.12Å
376H87.6Confident84.3Confident9 Ų947.1 Ų47.14%0.04225%0.246CC..Hα-helixtrans-57.2-52.9174.2-178.6-103.5000112.5F352 F354 A370 S372 K374 Y378 W379 I380F352-H376 VanDerWaalsContact C-CD2 3.45Å; F352-H376 HydrophobicContact CB-CB 4.16Å; F352-H376 PolarHBondContact O-CD2 3.25Å; F352-H376 VanDerWaalsContact O-CD2 3.26Å; F354-H376 AromaticContact CD1-CD2 3.75Å; A370-H376 HydrophobicContact CB-CB 3.87Å; S372-H376 VanDerWaalsContact O-CB 3.27Å; S372-H376 WeakPolarHBondContact O-CB 3.43Å; S372-H376 PolarHBondContact O-N 3.39Å; K374-H376 VanDerWaalsContact C-N 3.34Å; K374-H376 PolarHBondContact O-N 3.35Å; H376-Y378 VanDerWaalsContact C-N 3.32Å; H376-Y378 PolarHBondContact O-N 2.88Å; H376-W379 PolarHBondContact O-N 3.43Å; H376-I380 WeakPolarHBondContact CE1-CD1 3.34Å; H376-I380 PolarHBondContact O-N 2.91Å
377R85Confident81.8Confident109 Ų10948.8 Ų48.841%0.41126%0.255SS..Hα-helixtrans-59.3-42.2176.2-77.5-178.5-84.2-176.2-9.1111.7E373 K374 W379 I380 S381E373-R377 WeakPolarHBondContact O-CG 3.27Å; E373-R377 PolarHBondContact O-N 3.48Å; E373-R377 VanDerWaalsContact O-N 3.13Å; E373-R377 PolarHBondContact O-NE 3.08Å; E373-R377 IonicContact OE1-CZ 3.66Å; E373-R377 IonicContact OE1-NE 2.86Å; E373-R377 IonicContact OE1-NH2 4Å; E373-R377 PolarHBondContact OE1-NH2 3.05Å; E373-R377 IonicContact OE2-CZ 2.72Å; E373-R377 IonicContact OE2-NH2 3.26Å; E373-R377 PolarHBondContact OE2-NH2 3.01Å; K374-R377 PolarHBondContact O-N 2.96Å; R377-W379 PolarHBondContact O-N 2.89Å; R377-I380 PolarHBondContact O-N 2.95Å; R377-S381 WeakPolarHBondContact O-CB 3.47Å; R377-S381 PolarHBondContact O-N 3.29Å
378Y85.2Confident79.1Confident76 Ų7653.8 Ų53.830%0.29829%0.287SS..Hα-helixtrans-64.5-37.2174.9-68.8-42.2000113.8E269 K374 D375 H376 A382E269-Y378 HydrophobicContact CG-CE1 4.37Å; E269-Y378 WeakPolarHBondContact OE1-CE1 3.44Å; E269-Y378 PolarHBondContact OE1-OH 2.83Å; K374-Y378 HydrophobicContact CD-CE2 4.11Å; K374-Y378 VanDerWaalsContact CE-CE2 3.46Å; K374-Y378 VanDerWaalsContact CE-CZ 3.44Å; K374-Y378 WeakPolarHBondContact CE-OH 3.47Å; K374-Y378 HydrophobicContact CG-CD2 4.11Å; K374-Y378 HydrophobicContact CG-CE2 3.62Å; K374-Y378 PolarHBondContact NZ-OH 2.73Å; K374-Y378 WeakPolarHBondContact O-CD2 3.29Å; K374-Y378 PolarHBondContact O-N 2.91Å; K374-Y378 VanDerWaalsContact O-N 3.1Å; D375-Y378 PolarHBondContact O-N 3.21Å; H376-Y378 VanDerWaalsContact C-N 3.32Å; H376-Y378 PolarHBondContact O-N 2.88Å; Y378-A382 WeakPolarHBondContact O-CB 3.48Å; Y378-A382 PolarHBondContact O-N 2.74Å
379W89Confident76Confident0 Ų059.6 Ų59.60%032%0.323CS..Hα-helixtrans-67.7-44.3175.5-80116.5000112.2K274 L278 C304 F306 F313 F354 D375 H376 R377 M383K274-W379 HydrophobicContact CB-CE3 3.95Å; K274-W379 HydrophobicContact CB-CZ3 3.86Å; K274-W379 HydrophobicContact CG-CD2 3.61Å; K274-W379 HydrophobicContact CG-CE3 3.33Å; K274-W379 HydrophobicContact CG-CG 4.33Å; K274-W379 HydrophobicContact CG-CH2 3.96Å; K274-W379 HydrophobicContact CG-CZ2 4.19Å; K274-W379 HydrophobicContact CG-CZ3 3.52Å; K274-W379 VanDerWaalsContact NZ-NE1 3.15Å; L278-W379 HydrophobicContact CD1-CD2 4.25Å; L278-W379 HydrophobicContact CD1-CH2 4.45Å; L278-W379 HydrophobicContact CD1-CZ2 4.11Å; L278-W379 HydrophobicContact CD2-CD2 4.38Å; L278-W379 HydrophobicContact CD2-CG 4.25Å; L278-W379 HydrophobicContact CD2-CZ2 4.46Å; L278-W379 HydrophobicContact CG-CZ2 4.03Å; C304-W379 HydrophobicContact CB-CH2 3.75Å; C304-W379 HydrophobicContact CB-CZ2 4.17Å; F306-W379 HydrophobicContact CB-CZ3 4.07Å; F313-W379 HydrophobicContact CE2-CZ3 4.24Å; F354-W379 HydrophobicContact CE1-CB 4.42Å; F354-W379 HydrophobicContact CZ-CB 4.1Å; F354-W379 HydrophobicContact CZ-CG 4.38Å; D375-W379 PolarHBondContact O-N 3.35Å; D375-W379 PolarHBondContact OD1-NE1 3.19Å; D375-W379 PolarHBondContact OD2-NE1 3.09Å; D375-W379 VanDerWaalsContact OD2-NE1 3.12Å; H376-W379 PolarHBondContact O-N 3.43Å; R377-W379 PolarHBondContact O-N 2.89Å; W379-M383 HydrophobicContact CB-CE 4.03Å; W379-M383 HydrophobicContact CD2-CE 4.45Å; W379-M383 HydrophobicContact CE3-CE 3.83Å; W379-M383 WeakPolarHBondContact O-CB 3.17Å; W379-M383 WeakPolarHBondContact O-CE 3.2Å; W379-M383 PolarHBondContact O-N 3.44Å; W379-M383 VanDerWaalsContact O-N 3.12Å
380I86.4Confident73Confident3 Ų368.4 Ų68.42%0.01536%0.356CS..Hα-helixtrans-62.6-50.9176.1-70.5178.2000110.8R343 F354 H376 R377 A382 M383 D384 G385 E387R343-I380 HydrophobicContact CB-CD1 4.05Å; R343-I380 HydrophobicContact CG-CD1 4.37Å; F354-I380 HydrophobicContact CB-CD1 4.46Å; H376-I380 WeakPolarHBondContact CE1-CD1 3.34Å; H376-I380 PolarHBondContact O-N 2.91Å; R377-I380 PolarHBondContact O-N 2.95Å; I380-A382 PolarHBondContact O-N 2.81Å; I380-M383 CarbonylContact O-C 3.55Å; I380-M383 PolarHBondContact O-N 3.13Å; I380-M383 VanDerWaalsContact O-N 3.17Å; I380-D384 PolarHBondContact O-N 3.43Å; I380-D384 VanDerWaalsContact O-N 3.15Å; I380-G385 PolarHBondContact O-N 3.19Å; I380-E387 HydrophobicContact CG2-CB 4.38Å
381S82.8Confident69.9Low79 Ų7975.7 Ų75.755%0.55239%0.394SS*.Hα-helixtrans-62.7-39.5-179.6-1790000112.8K308 R377 M383K308-S381 PolarHBondContact NZ-O 2.72Å; R377-S381 WeakPolarHBondContact O-CB 3.47Å; R377-S381 PolarHBondContact O-N 3.29Å; S381-M383 VanDerWaalsContact C-N 3.35Å; S381-M383 PolarHBondContact O-N 2.86Å
382A84.4Confident66.8Low20 Ų2075.6 Ų75.617%0.16541%0.407CS..Hα-helixtrans-62.1-43.5173.900000111.6K274 F306 K308 Y378 I380 D384K274-A382 HydrophobicContact CB-CB 3.64Å; K274-A382 HydrophobicContact CG-CB 4.26Å; F306-A382 HydrophobicContact CD1-CB 4.38Å; F306-A382 VanDerWaalsContact CE1-O 3.29Å; F306-A382 WeakPolarHBondContact CE1-O 3.39Å; K308-A382 PolarHBondContact NZ-O 3.26Å; Y378-A382 WeakPolarHBondContact O-CB 3.48Å; Y378-A382 PolarHBondContact O-N 2.74Å; I380-A382 PolarHBondContact O-N 2.81Å; A382-D384 VanDerWaalsContact C-N 3.34Å; A382-D384 PolarHBondContact O-N 2.92Å
383M86.1Confident64.1Low0 Ų078.8 Ų78.80%043%0.427CS..THydrogen-bonded Turntrans-868.1-174.5-74.6-168.3-79.200115.5F306 F313 L338 C341 F354 L356 W379 I380 S381 G385F306-M383 HydrophobicContact CB-CG 4.43Å; F306-M383 HydrophobicContact CD1-CG 3.69Å; F306-M383 HydrophobicContact CD2-CG 3.87Å; F306-M383 HydrophobicContact CD2-SD 4.18Å; F306-M383 HydrophobicContact CE1-CB 4.43Å; F306-M383 HydrophobicContact CE1-CG 3.81Å; F306-M383 HydrophobicContact CE2-CG 3.98Å; F306-M383 HydrophobicContact CG-CG 3.71Å; F306-M383 HydrophobicContact CG-SD 4.3Å; F306-M383 HydrophobicContact CZ-CB 4.48Å; F306-M383 HydrophobicContact CZ-CG 3.95Å; F313-M383 HydrophobicContact CD2-SD 3.92Å; F313-M383 HydrophobicContact CE2-CE 4.3Å; F313-M383 HydrophobicContact CE2-SD 3.93Å; L338-M383 HydrophobicContact CD1-SD 4.35Å; L338-M383 HydrophobicContact CD2-CB 3.63Å; L338-M383 HydrophobicContact CD2-CG 3.82Å; L338-M383 WeakPolarHBondContact CD2-O 3.4Å; L338-M383 HydrophobicContact CD2-SD 4.08Å; C341-M383 HydrophobicContact CB-CB 3.97Å; F354-M383 HydrophobicContact CD2-CE 4.48Å; F354-M383 HydrophobicContact CE2-CE 3.63Å; F354-M383 HydrophobicContact CZ-CE 4.19Å; L356-M383 HydrophobicContact CD1-CE 4.05Å; L356-M383 HydrophobicContact CD1-SD 3.81Å; L356-M383 HydrophobicContact CD2-CE 3.93Å; L356-M383 HydrophobicContact CD2-SD 3.89Å; W379-M383 HydrophobicContact CB-CE 4.03Å; W379-M383 HydrophobicContact CD2-CE 4.45Å; W379-M383 HydrophobicContact CE3-CE 3.83Å; W379-M383 WeakPolarHBondContact O-CB 3.17Å; W379-M383 WeakPolarHBondContact O-CE 3.2Å; W379-M383 PolarHBondContact O-N 3.44Å; W379-M383 VanDerWaalsContact O-N 3.12Å; I380-M383 CarbonylContact O-C 3.55Å; I380-M383 PolarHBondContact O-N 3.13Å; I380-M383 VanDerWaalsContact O-N 3.17Å; S381-M383 VanDerWaalsContact C-N 3.35Å; S381-M383 PolarHBondContact O-N 2.86Å; M383-G385 PolarHBondContact O-N 3.5Å
384D77.3Confident61.3Low96 Ų9677.1 Ų77.151%0.51344%0.437SS..THydrogen-bonded Turntrans5931.7-178.1-57.7-62000113.4K308 I380 A382K308-D384 VanDerWaalsContact CE-OD1 3.27Å; K308-D384 WeakPolarHBondContact CE-OD1 3.47Å; K308-D384 WeakPolarHBondContact CE-OD2 3.32Å; K308-D384 IonicContact NZ-OD1 3.2Å; K308-D384 PolarHBondContact NZ-OD1 2.66Å; K308-D384 IonicContact NZ-OD2 2.72Å; K308-D384 PolarHBondContact NZ-OD2 3.4Å; I380-D384 PolarHBondContact O-N 3.43Å; I380-D384 VanDerWaalsContact O-N 3.15Å; A382-D384 VanDerWaalsContact C-N 3.34Å; A382-D384 PolarHBondContact O-N 2.92Å
385G63.5Low58.6Low11 Ų1181.3 Ų81.311%0.11346%0.455CS..  trans-72.4143.9172.600000111.7C341 I380 M383 E387C341-G385 WeakPolarHBondContact O-CA 3.18Å; I380-G385 PolarHBondContact O-N 3.19Å; M383-G385 PolarHBondContact O-N 3.5Å; G385-E387 PolarHBondContact O-N 3.16Å
386T51.2Low55.8Low123 Ų12387.7 Ų87.776%0.75549%0.487SS*.  trans-74.7107.8-173.640.30000112.5
387E38Very low53Low74 Ų7496.7 Ų96.735%0.34653%0.526SS..  trans-118.1132173.4-169.4153.5-122.800109.6R343 I380 G385 T389R343-E387 IonicContact NH1-OE1 3.19Å; I380-E387 HydrophobicContact CG2-CB 4.38Å; G385-E387 PolarHBondContact O-N 3.16Å; E387-T389 PolarHBondContact O-N 3.01Å
388P31.9Very low50.5Low107 Ų10798 Ų9870%0.69555%0.547SS*.  trans-60.1129.5-177.4-26.735.8000113.1Y390P388-Y390 PolarHBondContact O-N 3.3Å; P388-Y390 VanDerWaalsContact O-N 3.13Å
389T27.3Very low48.2Very low122 Ų12299.1 Ų99.175%0.74857%0.565SS**  trans-57.7110.9-170.5-50.80000113.7E387 L391E387-T389 PolarHBondContact O-N 3.01Å; T389-L391 HydrophobicContact CG2-CD2 4.38Å; T389-L391 HydrophobicContact CG2-CG 4.28Å
390Y28.9Very low46.5Very low225 Ų225107.2 Ų107.288%0.88260%0.603SS**  trans-111.6116156.8-85.7-85.1000110P388P388-Y390 PolarHBondContact O-N 3.3Å; P388-Y390 VanDerWaalsContact O-N 3.13Å
391L26.4Very low45.3Very low155 Ų155108.8 Ų108.881%0.81262%0.617SS**  trans-73.7122.8-179-69.8163.6000110.8T389T389-L391 HydrophobicContact CG2-CD2 4.38Å; T389-L391 HydrophobicContact CG2-CG 4.28Å
392A26.6Very low45.2Very low94 Ų94107.8 Ų107.878%0.77760%0.601SS**  trans-145.365.9169.700000112.6G394A392-G394 PolarHBondContact O-N 3.04Å
393P29.5Very low45.2Very low114 Ų114112 Ų11274%0.7462%0.617SS**  trans-75.370.4176.733.3-35.9000111.6K395P393-K395 PolarHBondContact O-N 2.7Å
394G28.2Very low45.3Very low68 Ų68113.8 Ų113.870%0.70163%0.626SS**  trans-68.885.9176.600000112.2A392 I396A392-G394 PolarHBondContact O-N 3.04Å; G394-I396 PolarHBondContact O-N 2.97Å
395K28.4Very low45.8Very low199 Ų199112.9 Ų112.987%0.86562%0.622SS**  trans-6499.4174.1-71.8-174178-178.20110.6P393 K397P393-K395 PolarHBondContact O-N 2.7Å; K395-K397 PolarHBondContact O-N 3.35Å
396I28.1Very low47.1Very low157 Ų157118.1 Ų118.181%0.80564%0.643SS**  trans-59124.9160.9-62175.5000107G394 V398G394-I396 PolarHBondContact O-N 2.97Å; I396-V398 PolarHBondContact O-N 3.12Å; I396-V398 VanDerWaalsContact O-N 3.16Å
397K28.6Very low48.9Very low198 Ų198112.6 Ų112.686%0.86161%0.61SS**  trans-64.4115.7173.4-71.8-175.6176-176.40108.5K395 S399K395-K397 PolarHBondContact O-N 3.35Å; K397-S399 PolarHBondContact O-N 3.03Å; K397-S399 VanDerWaalsContact O-N 3.12Å
398V32Very low51.5Low138 Ų138109.1 Ų109.184%0.83659%0.594SS**  trans-66.2108.9164178.70000106.3I396I396-V398 PolarHBondContact O-N 3.12Å; I396-V398 VanDerWaalsContact O-N 3.16Å
399S37.8Very low54.4Low99 Ų99105 Ų10569%0.69257%0.565SS**  trans-74.9129.6-177.4-163.50000110K397 A401K397-S399 PolarHBondContact O-N 3.03Å; K397-S399 VanDerWaalsContact O-N 3.12Å; S399-A401 PolarHBondContact O-N 3.28Å
400E52.9Low57.5Low170 Ų170102.1 Ų102.179%0.79454%0.544SS*.  trans5.578.5163.6-67.2169-169.900115.6
401A61.5Low60.6Low36 Ų3691.4 Ų91.430%0.29850%0.502SS..  trans-98.1129.8168.200000108.6S399 N482S399-A401 PolarHBondContact O-N 3.28Å; A401-N482 HydrophobicContact CB-CB 3.92Å
402Y81.3Confident63.9Low58 Ų5884 Ų8423%0.22746%0.463CS..BIsolated β-bridgetrans-74.2155.7177.6-58.3-50.1000111.2L447 Y477 N480 L481 N482Y402-L447 HydrophobicContact CD1-CD1 3.96Å; Y402-L447 HydrophobicContact CE1-CD1 3.62Å; Y402-Y477 AromaticContact CD2-CD2 3.77Å; Y402-Y477 HydrophobicContact CD2-CD2 3.77Å; Y402-Y477 HydrophobicContact CD2-CE2 4.43Å; Y402-Y477 HydrophobicContact CD2-CG 4.41Å; Y402-Y477 HydrophobicContact CE2-CD2 4.4Å; Y402-Y477 AromaticContact CG-CD2 3.97Å; Y402-Y477 HydrophobicContact CG-CD2 3.97Å; Y402-Y477 HydrophobicContact CG-CE2 4.21Å; Y402-N480 HydrophobicContact CD2-CB 3.59Å; Y402-N480 HydrophobicContact CE2-CB 3.65Å; Y402-N480 PolarHBondContact N-O 3.33Å; Y402-L481 CarbonylContact O-C 3.44Å; Y402-L481 WeakPolarHBondContact O-CA 3.48Å; Y402-N482 PolarHBondContact O-N 2.71Å; Y402-N482 PolarHBondContact O-OD1 3.5Å
403H83.3Confident67.2Low107 Ų10785.5 Ų85.550%0.49545%0.449SS..  trans-116155.2175.7-65.1-57.5000110.4D405 Y477 N482H403-D405 PolarHBondContact O-N 2.68Å; H403-Y477 PolarHBondContact O-OH 3.45Å; H403-Y477 VanDerWaalsContact O-OH 3.05Å; H403-N482 PolarHBondContact ND1-ND2 3.14Å
404L88.3Confident70.2Confident38 Ų3883.7 Ų83.720%0.19943%0.427CS..SBendtrans-7873171.4-68.2177000110.2L481 L485 P520 N521 M524L404-L481 HydrophobicContact CD2-CD1 3.79Å; L404-L481 HydrophobicContact CD2-CD2 3.83Å; L404-L481 HydrophobicContact CG-CD1 4.35Å; L404-L481 HydrophobicContact CG-CD2 4.1Å; L404-L485 HydrophobicContact CD1-CD1 4.03Å; L404-L485 HydrophobicContact CD2-CD1 4.27Å; L404-P520 HydrophobicContact CB-CB 4.28Å; L404-P520 HydrophobicContact CD1-CB 4.44Å; L404-N521 HydrophobicContact CD1-CB 4.32Å; L404-M524 HydrophobicContact CD2-CB 4.28Å; L404-M524 HydrophobicContact CD2-CE 3.94Å; L404-M524 HydrophobicContact CD2-CG 3.99Å
405D88.8Confident73.4Confident77 Ų7780.5 Ų80.541%0.41239%0.394SS..  trans-107.9174175.468.340.9000112.6H403 A407 G408 F409H403-D405 PolarHBondContact O-N 2.68Å; D405-A407 VanDerWaalsContact C-N 3.27Å; D405-A407 PolarHBondContact O-N 3.45Å; D405-A407 WeakPolarHBondContact OD1-CA 3.48Å; D405-A407 WeakPolarHBondContact OD1-CB 3.41Å; D405-A407 PolarHBondContact OD1-N 3.01Å; D405-G408 PolarHBondContact O-N 3Å; D405-G408 VanDerWaalsContact O-N 3.14Å; D405-G408 PolarHBondContact OD1-N 3.34Å; D405-F409 WeakPolarHBondContact O-CD2 3.37Å; D405-F409 PolarHBondContact O-N 3.04Å
406E89.1Confident76.6Confident121 Ų12171.4 Ų71.457%0.56536%0.355SS*.Hα-helixtrans-61.6-32-177-165.759.9-137.700112.9F409 M410E406-F409 PolarHBondContact O-N 3.4Å; E406-M410 HydrophobicContact CG-CE 4.38Å; E406-M410 WeakPolarHBondContact O-CB 3.34Å; E406-M410 VanDerWaalsContact O-CG 3.32Å; E406-M410 WeakPolarHBondContact O-CG 3.32Å; E406-M410 PolarHBondContact O-N 3.12Å
407A89.9Confident79.8Confident8 Ų867.6 Ų67.67%0.06633%0.333CS..Hα-helixtrans-68.1-41.7176.300000110.6D405 M410 F411 Q449D405-A407 VanDerWaalsContact C-N 3.27Å; D405-A407 PolarHBondContact O-N 3.45Å; D405-A407 WeakPolarHBondContact OD1-CA 3.48Å; D405-A407 WeakPolarHBondContact OD1-CB 3.41Å; D405-A407 PolarHBondContact OD1-N 3.01Å; A407-M410 PolarHBondContact O-N 3.39Å; A407-F411 VanDerWaalsContact O-CB 3.27Å; A407-F411 WeakPolarHBondContact O-CB 3.18Å; A407-F411 PolarHBondContact O-N 3.06Å; A407-Q449 HydrophobicContact CB-CG 3.8Å
408G91.8Very high82.9Confident0 Ų059.4 Ų59.40%030%0.3CS..Hα-helixtrans-61-42.2171.300000113.7D405 I412 Y477D405-G408 PolarHBondContact O-N 3Å; D405-G408 VanDerWaalsContact O-N 3.14Å; D405-G408 PolarHBondContact OD1-N 3.34Å; G408-I412 VanDerWaalsContact O-CG1 3.31Å; G408-I412 WeakPolarHBondContact O-CG1 3.43Å; G408-I412 PolarHBondContact O-N 3.19Å; G408-Y477 VanDerWaalsContact CA-OH 3.32Å; G408-Y477 WeakPolarHBondContact CA-OH 3.45Å
409F94.1Very high85.9Confident21 Ų2152.9 Ų52.99%0.09226%0.26CS..Hα-helixtrans-63.7-45.1174.3-90.1-80.7000112.8D405 E406 R413 P520 Q523 M524 M527D405-F409 WeakPolarHBondContact O-CD2 3.37Å; D405-F409 PolarHBondContact O-N 3.04Å; E406-F409 PolarHBondContact O-N 3.4Å; F409-R413 VanDerWaalsContact O-CB 3.3Å; F409-R413 WeakPolarHBondContact O-CB 3.43Å; F409-R413 PolarHBondContact O-N 3.01Å; F409-P520 HydrophobicContact CE2-CB 4.17Å; F409-P520 HydrophobicContact CZ-CB 4.29Å; F409-P520 WeakPolarHBondContact CZ-O 3.5Å; F409-Q523 HydrophobicContact CE1-CB 3.94Å; F409-Q523 HydrophobicContact CZ-CB 4.05Å; F409-M524 HydrophobicContact CB-CE 4.45Å; F409-M524 HydrophobicContact CD1-CE 3.81Å; F409-M524 HydrophobicContact CD2-CE 4.09Å; F409-M524 HydrophobicContact CE1-CB 3.84Å; F409-M524 HydrophobicContact CE1-CE 4.05Å; F409-M524 HydrophobicContact CE2-CE 4.3Å; F409-M524 HydrophobicContact CG-CE 3.84Å; F409-M524 HydrophobicContact CZ-CB 3.91Å; F409-M524 HydrophobicContact CZ-CE 4.29Å; F409-M527 HydrophobicContact CD1-CE 3.97Å; F409-M527 HydrophobicContact CE1-CE 4.48Å
410M92.3Very high88.7Confident61 Ų6151.5 Ų51.530%0.324%0.243SC..Hα-helixtrans-63.1-46.7175.6-72-171-65.500111.5E406 A407 I412 R413 R414E406-M410 HydrophobicContact CG-CE 4.38Å; E406-M410 WeakPolarHBondContact O-CB 3.34Å; E406-M410 VanDerWaalsContact O-CG 3.32Å; E406-M410 WeakPolarHBondContact O-CG 3.32Å; E406-M410 PolarHBondContact O-N 3.12Å; A407-M410 PolarHBondContact O-N 3.39Å; M410-I412 PolarHBondContact O-N 3.28Å; M410-R413 PolarHBondContact O-N 3.14Å; M410-R414 WeakPolarHBondContact O-CG 3.29Å; M410-R414 PolarHBondContact O-N 2.82Å
411F93.9Very high90.6Very high1 Ų150.2 Ų50.20%0.00424%0.24CC..Hα-helixtrans-57.4-47.9179.1176.5-103.3000112.5A407 R414 C415 L442 L443 L447 F456 A473 Y477A407-F411 VanDerWaalsContact O-CB 3.27Å; A407-F411 WeakPolarHBondContact O-CB 3.18Å; A407-F411 PolarHBondContact O-N 3.06Å; F411-R414 PolarHBondContact O-N 3.02Å; F411-C415 WeakPolarHBondContact O-CB 3.36Å; F411-C415 PolarHBondContact O-N 2.92Å; F411-C415 PolarHBondContact O-SG 2.66Å; F411-L442 HydrophobicContact CE2-CG 4.32Å; F411-L443 HydrophobicContact CE1-CD2 3.63Å; F411-L443 HydrophobicContact CZ-CD2 3.69Å; F411-L443 HydrophobicContact CZ-CG 4.4Å; F411-L447 HydrophobicContact CB-CD2 3.76Å; F411-L447 HydrophobicContact CD1-CD2 4.12Å; F411-L447 HydrophobicContact CG-CD2 3.9Å; F411-L447 HydrophobicContact CG-CG 4.38Å; F411-F456 HydrophobicContact CD2-CE2 4.2Å; F411-F456 AromaticContact CD2-CZ 3.98Å; F411-F456 HydrophobicContact CD2-CZ 3.98Å; F411-F456 HydrophobicContact CE2-CE2 4.47Å; F411-F456 AromaticContact CE2-CZ 3.92Å; F411-F456 HydrophobicContact CE2-CZ 3.92Å; F411-A473 HydrophobicContact CZ-CB 3.99Å; F411-Y477 HydrophobicContact CD1-CG 4.48Å
412I95.4Very high92.1Very high0 Ų053.8 Ų53.80%025%0.246CC..Hα-helixtrans-66.8-40.7179-64.9-70000111G408 M410 R414 C415 I416 L474 Y477 L478 M524 M527 V528G408-I412 VanDerWaalsContact O-CG1 3.31Å; G408-I412 WeakPolarHBondContact O-CG1 3.43Å; G408-I412 PolarHBondContact O-N 3.19Å; M410-I412 PolarHBondContact O-N 3.28Å; I412-R414 PolarHBondContact O-N 2.97Å; I412-C415 PolarHBondContact O-N 3.31Å; I412-I416 HydrophobicContact CG2-CD1 3.73Å; I412-I416 HydrophobicContact CG2-CG1 4.39Å; I412-I416 WeakPolarHBondContact O-CB 3.31Å; I412-I416 VanDerWaalsContact O-CG1 3.31Å; I412-I416 WeakPolarHBondContact O-CG1 3.4Å; I412-I416 PolarHBondContact O-N 3.04Å; I412-L474 HydrophobicContact CD1-CB 4.3Å; I412-L474 HydrophobicContact CD1-CD1 4.46Å; I412-L474 HydrophobicContact CD1-CG 3.76Å; I412-L474 HydrophobicContact CG2-CD1 4.42Å; I412-Y477 HydrophobicContact CD1-CD1 3.45Å; I412-Y477 VanDerWaalsContact CD1-CD1 3.45Å; I412-Y477 HydrophobicContact CD1-CE1 4.1Å; I412-Y477 HydrophobicContact CD1-CG 4.1Å; I412-Y477 HydrophobicContact CG1-CD1 3.61Å; I412-Y477 HydrophobicContact CG1-CE1 3.71Å; I412-Y477 HydrophobicContact CG1-CG 4.42Å; I412-L478 HydrophobicContact CD1-CD2 4.48Å; I412-L478 HydrophobicContact CD1-CG 4.34Å; I412-M524 HydrophobicContact CB-CE 4.41Å; I412-M524 HydrophobicContact CB-SD 3.98Å; I412-M524 HydrophobicContact CG1-CE 4.2Å; I412-M524 HydrophobicContact CG1-SD 3.96Å; I412-M524 HydrophobicContact CG2-SD 3.82Å; I412-M527 HydrophobicContact CG2-SD 4.23Å; I412-V528 HydrophobicContact CG2-CG2 4.24Å
413R95.2Very high92.5Very high125 Ų12551 Ų5147%0.47224%0.236SC..Hα-helixtrans-60.7-44.4175.2-170.4-174.7-60.2-81.34.5112.2F409 M410 I416 Q417 M527F409-R413 VanDerWaalsContact O-CB 3.3Å; F409-R413 WeakPolarHBondContact O-CB 3.43Å; F409-R413 PolarHBondContact O-N 3.01Å; M410-R413 PolarHBondContact O-N 3.14Å; R413-I416 PolarHBondContact O-N 3.29Å; R413-Q417 WeakPolarHBondContact O-CB 3.33Å; R413-Q417 VanDerWaalsContact O-CG 3.26Å; R413-Q417 WeakPolarHBondContact O-CG 3.26Å; R413-Q417 PolarHBondContact O-N 2.84Å; R413-M527 HydrophobicContact CB-CE 4.47Å; R413-M527 HydrophobicContact CB-SD 3.95Å; R413-M527 HydrophobicContact CG-SD 4.4Å
414R93.1Very high93.1Very high76 Ų7646.7 Ų46.729%0.28722%0.216SC..Hα-helixtrans-63.6-43.9175.9-70.4-68.4-173.6-158.25.4111.7M410 F411 I412 I416 Q417 V418 D453 F456M410-R414 WeakPolarHBondContact O-CG 3.29Å; M410-R414 PolarHBondContact O-N 2.82Å; F411-R414 PolarHBondContact O-N 3.02Å; I412-R414 PolarHBondContact O-N 2.97Å; R414-I416 PolarHBondContact O-N 3.29Å; R414-Q417 PolarHBondContact O-N 2.86Å; R414-V418 WeakPolarHBondContact O-CG2 3.46Å; R414-V418 PolarHBondContact O-N 3.44Å; R414-D453 IonicContact CZ-OD1 2.94Å; R414-D453 VanDerWaalsContact CZ-OD1 3.22Å; R414-D453 IonicContact CZ-OD2 3.84Å; R414-D453 IonicContact NE-OD1 2.72Å; R414-D453 PolarHBondContact NE-OD1 3.17Å; R414-D453 IonicContact NH2-OD1 3.49Å; R414-D453 PolarHBondContact NH2-OD1 3.01Å; R414-D453 IonicContact NH2-OD2 2.73Å; R414-D453 PolarHBondContact NH2-OD2 3.26Å; R414-F456 HydrophobicContact CB-CD1 4.17Å; R414-F456 HydrophobicContact CB-CD2 3.63Å; R414-F456 HydrophobicContact CB-CE1 4.08Å; R414-F456 HydrophobicContact CB-CE2 3.54Å; R414-F456 HydrophobicContact CB-CG 3.95Å; R414-F456 HydrophobicContact CB-CZ 3.77Å; R414-F456 HydrophobicContact CG-CD2 3.99Å; R414-F456 HydrophobicContact CG-CE2 4.15Å
415C95.3Very high93.4Very high0 Ų048.8 Ų48.80%023%0.225CC..Hα-helixtrans-58.3-47.4174.8-70.10000112.1F411 I412 V418 L419 I470 L474F411-C415 WeakPolarHBondContact O-CB 3.36Å; F411-C415 PolarHBondContact O-N 2.92Å; F411-C415 PolarHBondContact O-SG 2.66Å; I412-C415 PolarHBondContact O-N 3.31Å; C415-V418 PolarHBondContact O-N 2.86Å; C415-L419 VanDerWaalsContact O-CG 3.3Å; C415-L419 WeakPolarHBondContact O-CG 3.4Å; C415-L419 PolarHBondContact O-N 3.38Å; C415-L419 VanDerWaalsContact O-N 3.1Å; C415-I470 HydrophobicContact CB-CG2 3.65Å; C415-L474 HydrophobicContact CB-CB 4.34Å; C415-L474 HydrophobicContact CB-CD1 3.96Å
416I96.9Very high93.6Very high9 Ų947.9 Ų47.95%0.04622%0.22CC..Hα-helixtrans-61.9-48.9179.4-75.7174.7000111I412 R413 R414 V418 L419 E420 L474 M527 H531I412-I416 HydrophobicContact CG2-CD1 3.73Å; I412-I416 HydrophobicContact CG2-CG1 4.39Å; I412-I416 WeakPolarHBondContact O-CB 3.31Å; I412-I416 VanDerWaalsContact O-CG1 3.31Å; I412-I416 WeakPolarHBondContact O-CG1 3.4Å; I412-I416 PolarHBondContact O-N 3.04Å; R413-I416 PolarHBondContact O-N 3.29Å; R414-I416 PolarHBondContact O-N 3.29Å; I416-V418 VanDerWaalsContact C-N 3.35Å; I416-V418 PolarHBondContact O-N 2.96Å; I416-L419 PolarHBondContact O-N 2.93Å; I416-L419 VanDerWaalsContact O-N 3.12Å; I416-E420 VanDerWaalsContact CG2-CD 3.49Å; I416-E420 HydrophobicContact CG2-CG 4.44Å; I416-E420 WeakPolarHBondContact CG2-OE1 3.39Å; I416-E420 PolarHBondContact O-N 3.25Å; I416-L474 HydrophobicContact CD1-CD1 4.32Å; I416-L474 HydrophobicContact CG1-CD1 3.67Å; I416-M527 HydrophobicContact CD1-CG 3.8Å; I416-M527 HydrophobicContact CD1-SD 4.06Å; I416-H531 HydrophobicContact CD1-CB 4.03Å; I416-H531 HydrophobicContact CG1-CB 4.12Å; I416-H531 HydrophobicContact CG2-CB 4.06Å
417Q94.8Very high93.8Very high76 Ų7646.6 Ų46.636%0.35521%0.214SC..Hα-helixtrans-53.3-48.2177.2-76.6170.5-12.700112.5R413 R414 L419 E420 I421R413-Q417 WeakPolarHBondContact O-CB 3.33Å; R413-Q417 VanDerWaalsContact O-CG 3.26Å; R413-Q417 WeakPolarHBondContact O-CG 3.26Å; R413-Q417 PolarHBondContact O-N 2.84Å; R414-Q417 PolarHBondContact O-N 2.86Å; Q417-L419 VanDerWaalsContact C-N 3.35Å; Q417-L419 PolarHBondContact O-N 3.36Å; Q417-E420 PolarHBondContact O-N 3.02Å; Q417-I421 WeakPolarHBondContact O-CD1 3.46Å; Q417-I421 VanDerWaalsContact O-CG1 3.27Å; Q417-I421 WeakPolarHBondContact O-CG1 3.27Å; Q417-I421 PolarHBondContact O-N 2.91Å; Q417-I421 VanDerWaalsContact O-N 3.14Å
418V93.5Very high93.8Very high26 Ų2646.2 Ų46.216%0.15821%0.211CC..Hα-helixtrans-69.5-33-178.9177.70000111.9R414 C415 I416 R422 F456 I470R414-V418 WeakPolarHBondContact O-CG2 3.46Å; R414-V418 PolarHBondContact O-N 3.44Å; C415-V418 PolarHBondContact O-N 2.86Å; I416-V418 VanDerWaalsContact C-N 3.35Å; I416-V418 PolarHBondContact O-N 2.96Å; V418-R422 VanDerWaalsContact O-CG 3.29Å; V418-R422 WeakPolarHBondContact O-CG 3.31Å; V418-F456 HydrophobicContact CG2-CD1 4.15Å; V418-I470 HydrophobicContact CB-CD1 4.16Å; V418-I470 HydrophobicContact CG1-CD1 3.52Å
419L95.5Very high93.8Very high1 Ų146.3 Ų46.31%0.00521%0.211CC..Hα-helixtrans-73.7-33.2175-70.2174.4000112.8C415 I416 Q417 G423 L424 I429 Y430 I470 A471C415-L419 VanDerWaalsContact O-CG 3.3Å; C415-L419 WeakPolarHBondContact O-CG 3.4Å; C415-L419 PolarHBondContact O-N 3.38Å; C415-L419 VanDerWaalsContact O-N 3.1Å; I416-L419 PolarHBondContact O-N 2.93Å; I416-L419 VanDerWaalsContact O-N 3.12Å; Q417-L419 VanDerWaalsContact C-N 3.35Å; Q417-L419 PolarHBondContact O-N 3.36Å; L419-G423 CarbonylContact O-C 3.6Å; L419-G423 WeakPolarHBondContact O-CA 3.47Å; L419-G423 PolarHBondContact O-N 2.83Å; L419-L424 PolarHBondContact O-N 2.82Å; L419-I429 HydrophobicContact CD2-CD1 4.1Å; L419-Y430 VanDerWaalsContact CD1-OH 3.23Å; L419-Y430 WeakPolarHBondContact CD1-OH 3.39Å; L419-I470 HydrophobicContact CD1-CG2 4.02Å; L419-I470 HydrophobicContact CD2-CB 4.33Å; L419-I470 HydrophobicContact CD2-CG2 4.36Å; L419-I470 HydrophobicContact CG-CB 4.45Å; L419-I470 HydrophobicContact CG-CG2 3.94Å; L419-A471 HydrophobicContact CD1-CB 4.03Å; L419-A471 HydrophobicContact CD2-CB 4.4Å
420E95.6Very high93.9Very high71 Ų7145.4 Ų45.433%0.33221%0.207SC..Hα-helixtrans-70.9-39.5177.4-79.6165.2-173.500112.7I416 Q417 R422 L424 H531I416-E420 VanDerWaalsContact CG2-CD 3.49Å; I416-E420 HydrophobicContact CG2-CG 4.44Å; I416-E420 WeakPolarHBondContact CG2-OE1 3.39Å; I416-E420 PolarHBondContact O-N 3.25Å; Q417-E420 PolarHBondContact O-N 3.02Å; E420-R422 VanDerWaalsContact C-N 3.34Å; E420-R422 PolarHBondContact O-N 2.84Å; E420-L424 HydrophobicContact CG-CD1 4.32Å; E420-L424 HydrophobicContact CG-CD2 4.18Å; E420-H531 WeakPolarHBondContact CG-ND1 3.4Å; E420-H531 IonicContact OE1-CE1 3.6Å; E420-H531 IonicContact OE1-CG 2.71Å; E420-H531 IonicContact OE1-ND1 2.89Å; E420-H531 PolarHBondContact OE1-ND1 2.79Å
421I93.5Very high93.8Very high143 Ų14347.9 Ų47.973%0.73321%0.213SC*.Hα-helixtrans-64-35.9179.3-70.8165.3000112.4Q417Q417-I421 WeakPolarHBondContact O-CD1 3.46Å; Q417-I421 VanDerWaalsContact O-CG1 3.27Å; Q417-I421 WeakPolarHBondContact O-CG1 3.27Å; Q417-I421 PolarHBondContact O-N 2.91Å; Q417-I421 VanDerWaalsContact O-N 3.14Å
422R93.1Very high93.7Very high110 Ų11051.7 Ų51.742%0.41523%0.23SC..Hα-helixtrans-148.6-13.3-169.958.7172-169.977.36.5117.4V418 E420 M465 S467V418-R422 VanDerWaalsContact O-CG 3.29Å; V418-R422 WeakPolarHBondContact O-CG 3.31Å; E420-R422 VanDerWaalsContact C-N 3.34Å; E420-R422 PolarHBondContact O-N 2.84Å; R422-M465 PolarHBondContact NH2-O 3.11Å; R422-S467 PolarHBondContact NH1-OG 3.02Å
423G90.2Very high93.3Very high1 Ų156.2 Ų56.21%0.0126%0.262CS..THydrogen-bonded Turntrans-95.7-15.8-17400000115.7L419 E425 D426L419-G423 CarbonylContact O-C 3.6Å; L419-G423 WeakPolarHBondContact O-CA 3.47Å; L419-G423 PolarHBondContact O-N 2.83Å; G423-E425 PolarHBondContact O-N 3.04Å; G423-D426 WeakPolarHBondContact O-CB 3.42Å; G423-D426 PolarHBondContact O-N 3.01Å; G423-D426 VanDerWaalsContact O-N 3.1Å
424L94.5Very high92.9Very high16 Ų1651 Ų518%0.08425%0.247CC..THydrogen-bonded Turntrans-63.1-14.1-175.4-58.4-178.6000114.9L419 E420 D534 V535 K538 N542L419-L424 PolarHBondContact O-N 2.82Å; E420-L424 HydrophobicContact CG-CD1 4.32Å; E420-L424 HydrophobicContact CG-CD2 4.18Å; L424-D534 HydrophobicContact CD1-CB 4.43Å; L424-V535 HydrophobicContact CD2-CG2 3.63Å; L424-K538 HydrophobicContact CB-CD 3.83Å; L424-K538 WeakPolarHBondContact O-CB 3.16Å; L424-N542 WeakPolarHBondContact O-CB 3.43Å; L424-N542 PolarHBondContact O-ND2 2.87Å
425E94.9Very high92.7Very high81 Ų8151 Ų5138%0.37926%0.255SS..THydrogen-bonded Turntrans-106.5-3.6179.4-57.6-164.5170.500113.2G423 E427 K538 K541G423-E425 PolarHBondContact O-N 3.04Å; E425-E427 PolarHBondContact O-N 3.4Å; E425-K538 HydrophobicContact CG-CD 3.55Å; E425-K538 IonicContact OE1-NZ 3.77Å; E425-K538 PolarHBondContact OE1-NZ 3.42Å; E425-K541 HydrophobicContact CB-CB 4.45Å; E425-K541 HydrophobicContact CB-CD 4.16Å; E425-K541 HydrophobicContact CG-CD 3.89Å; E425-K541 IonicContact OE1-NZ 3.79Å; E425-K541 PolarHBondContact OE1-NZ 2.95Å; E425-K541 WeakPolarHBondContact OE2-CD 3.43Å; E425-K541 WeakPolarHBondContact OE2-CE 2.93Å; E425-K541 IonicContact OE2-NZ 3.28Å; E425-K541 PolarHBondContact OE2-NZ 3.12Å
426D94.2Very high92.2Very high58 Ų5853.3 Ų53.331%0.3128%0.278SS..SBendtrans-67.2117.5-179.6-76.1-34.9000111G423 G428 I429 S467 N542G423-D426 WeakPolarHBondContact O-CB 3.42Å; G423-D426 PolarHBondContact O-N 3.01Å; G423-D426 VanDerWaalsContact O-N 3.1Å; D426-G428 PolarHBondContact O-N 3.35Å; D426-G428 VanDerWaalsContact O-N 3.17Å; D426-I429 HydrophobicContact CB-CB 4.39Å; D426-I429 HydrophobicContact CB-CD1 4.48Å; D426-I429 WeakPolarHBondContact O-CB 3.18Å; D426-I429 PolarHBondContact O-N 2.69Å; D426-S467 WeakPolarHBondContact OD2-CB 3.46Å; D426-S467 PolarHBondContact OD2-OG 3.03Å; D426-N542 WeakPolarHBondContact O-CB 3.43Å
427E92.4Very high91.8Very high95 Ų9558.1 Ų58.144%0.44431%0.308SS..THydrogen-bonded Turntrans-61119-176.3-175-100.4108.400111.3E425 R431 K432 K543E425-E427 PolarHBondContact O-N 3.4Å; E427-R431 IonicContact OE1-NH2 2.75Å; E427-R431 PolarHBondContact OE1-NH2 2.98Å; E427-K432 VanDerWaalsContact O-CD 3.25Å; E427-K432 WeakPolarHBondContact O-CD 3.35Å; E427-K432 WeakPolarHBondContact O-CE 3.44Å; E427-K432 PolarHBondContact O-NZ 3.07Å; E427-K432 WeakPolarHBondContact OE1-CE 3.45Å; E427-K432 IonicContact OE1-NZ 2.78Å; E427-K432 PolarHBondContact OE1-NZ 2.76Å; E427-K432 IonicContact OE2-NZ 3.02Å; E427-K432 PolarHBondContact OE2-NZ 3.41Å; E427-K543 HydrophobicContact CG-CB 4.44Å; E427-K543 HydrophobicContact CG-CG 3.76Å
428G88.8Confident91.7Very high0 Ų056.5 Ų56.50%030%0.3CS..THydrogen-bonded Turntrans78.322.2-17600000114.8D426 R431 K432 N542D426-G428 PolarHBondContact O-N 3.35Å; D426-G428 VanDerWaalsContact O-N 3.17Å; G428-R431 CarbonylContact O-C 3.58Å; G428-R431 WeakPolarHBondContact O-CA 3.15Å; G428-R431 WeakPolarHBondContact O-CB 3.31Å; G428-R431 PolarHBondContact O-N 3.07Å; G428-K432 PolarHBondContact O-N 3.04Å; G428-N542 PolarHBondContact N-O 3.03Å
429I93.3Very high91.6Very high2 Ų255.9 Ų55.91%0.0130%0.296CS..THydrogen-bonded Turntrans-49.3142.1172.4-165.661.5000111.1L419 D426 R431 A471 V535 N542 M544L419-I429 HydrophobicContact CD2-CD1 4.1Å; D426-I429 HydrophobicContact CB-CB 4.39Å; D426-I429 HydrophobicContact CB-CD1 4.48Å; D426-I429 WeakPolarHBondContact O-CB 3.18Å; D426-I429 PolarHBondContact O-N 2.69Å; I429-R431 PolarHBondContact O-N 2.87Å; I429-A471 HydrophobicContact CD1-CB 3.68Å; I429-A471 HydrophobicContact CG1-CB 4.25Å; I429-V535 HydrophobicContact CG2-CG1 3.81Å; I429-N542 HydrophobicContact CG2-CB 4.28Å; I429-M544 HydrophobicContact CG2-CG 4.26Å; I429-M544 VanDerWaalsContact O-CG 3.28Å; I429-M544 WeakPolarHBondContact O-CG 3.11Å
430Y95.4Very high91.3Very high1 Ų159 Ų590%0.00432%0.318CS..THydrogen-bonded Turntrans59.9-23.4-167.4-62.5-70.6000117.3L419 A471 L474 K475 H531 L532 V535 L549 F553L419-Y430 VanDerWaalsContact CD1-OH 3.23Å; L419-Y430 WeakPolarHBondContact CD1-OH 3.39Å; Y430-A471 HydrophobicContact CD1-CB 3.61Å; Y430-A471 WeakPolarHBondContact CD1-O 3.41Å; Y430-A471 HydrophobicContact CE1-CB 3.53Å; Y430-A471 WeakPolarHBondContact CE1-O 3.33Å; Y430-A471 HydrophobicContact CG-CB 4.19Å; Y430-L474 HydrophobicContact CE1-CD2 3.97Å; Y430-K475 HydrophobicContact CD1-CD 3.91Å; Y430-K475 HydrophobicContact CD1-CG 3.84Å; Y430-K475 HydrophobicContact CE1-CG 4.3Å; Y430-K475 WeakPolarHBondContact O-CE 3.34Å; Y430-K475 PolarHBondContact O-NZ 3.15Å; Y430-H531 AromaticContact CE2-CD2 3.92Å; Y430-H531 AromaticContact CE2-NE2 3.53Å; Y430-H531 AromaticContact CZ-CD2 3.88Å; Y430-H531 AromaticContact CZ-NE2 3.6Å; Y430-H531 PolarHBondContact OH-CD2 3.26Å; Y430-H531 PolarHBondContact OH-NE2 3.3Å; Y430-L532 HydrophobicContact CD2-CD2 4.26Å; Y430-L532 HydrophobicContact CE2-CD2 4.05Å; Y430-V535 HydrophobicContact CE2-CG2 4.11Å; Y430-L549 HydrophobicContact CD2-CD2 4.45Å; Y430-F553 AromaticContact CD1-CE2 3.84Å; Y430-F553 HydrophobicContact CD1-CE2 3.84Å; Y430-F553 AromaticContact CD1-CZ 3.59Å; Y430-F553 HydrophobicContact CD1-CZ 3.59Å; Y430-F553 HydrophobicContact CD2-CE2 4.21Å; Y430-F553 HydrophobicContact CD2-CZ 4.48Å; Y430-F553 HydrophobicContact CE1-CE2 4.36Å; Y430-F553 AromaticContact CE1-CZ 3.74Å; Y430-F553 HydrophobicContact CE1-CZ 3.74Å; Y430-F553 AromaticContact CG-CE2 3.76Å; Y430-F553 HydrophobicContact CG-CE2 3.76Å; Y430-F553 AromaticContact CG-CZ 3.99Å; Y430-F553 HydrophobicContact CG-CZ 3.99Å
431R91.2Very high91.1Very high113 Ų11359.5 Ų59.543%0.42632%0.318SS..THydrogen-bonded Turntrans-83.6-43.2172.7-176.8177.369.4-146.2-1.6112.1E427 G428 I429 K543 M544E427-R431 IonicContact OE1-NH2 2.75Å; E427-R431 PolarHBondContact OE1-NH2 2.98Å; G428-R431 CarbonylContact O-C 3.58Å; G428-R431 WeakPolarHBondContact O-CA 3.15Å; G428-R431 WeakPolarHBondContact O-CB 3.31Å; G428-R431 PolarHBondContact O-N 3.07Å; I429-R431 PolarHBondContact O-N 2.87Å; R431-K543 PolarHBondContact NH1-O 3.41Å; R431-M544 HydrophobicContact CB-CE 3.88Å; R431-M544 HydrophobicContact CB-SD 3.64Å
432K90.3Very high91Very high81 Ų8152.7 Ų52.735%0.35228%0.284SS..SBendtrans-77.3125174.4-67179.6-174.6165.90109.3E427 G428E427-K432 VanDerWaalsContact O-CD 3.25Å; E427-K432 WeakPolarHBondContact O-CD 3.35Å; E427-K432 WeakPolarHBondContact O-CE 3.44Å; E427-K432 PolarHBondContact O-NZ 3.07Å; E427-K432 WeakPolarHBondContact OE1-CE 3.45Å; E427-K432 IonicContact OE1-NZ 2.78Å; E427-K432 PolarHBondContact OE1-NZ 2.76Å; E427-K432 IonicContact OE2-NZ 3.02Å; E427-K432 PolarHBondContact OE2-NZ 3.41Å; G428-K432 PolarHBondContact O-N 3.04Å
433S86.8Confident90.9Very high96 Ų9647.5 Ų47.567%0.67126%0.264SS*.  trans-78140.2177.7-650000112.1
434G87.4Confident90.8Very high15 Ų1550.4 Ų50.416%0.15529%0.288CS..  trans-74.4176.1165.500000112.5G436 I439 N468 S472G434-G436 PolarHBondContact O-N 3.38Å; G434-I439 WeakPolarHBondContact O-CD1 3.37Å; G434-N468 PolarHBondContact N-O 3.31Å; G434-S472 PolarHBondContact N-OG 3.34Å
435V89.2Confident90.6Very high77 Ų7751.1 Ų51.147%0.46729%0.292SS..  trans-75119.3-179.1-176.30000110.1T437 K438 I439V435-T437 VanDerWaalsContact C-N 3.3Å; V435-T437 PolarHBondContact O-N 3.4Å; V435-T437 VanDerWaalsContact O-N 3.12Å; V435-K438 HydrophobicContact CB-CB 4.34Å; V435-K438 HydrophobicContact CB-CD 4.1Å; V435-K438 HydrophobicContact CB-CG 4.06Å; V435-K438 HydrophobicContact CG1-CG 4.43Å; V435-K438 HydrophobicContact CG2-CD 4.43Å; V435-K438 WeakPolarHBondContact O-CA 3.48Å; V435-K438 WeakPolarHBondContact O-CB 3.18Å; V435-K438 PolarHBondContact O-N 3.22Å; V435-I439 WeakPolarHBondContact O-CG1 3.38Å; V435-I439 PolarHBondContact O-N 2.98Å
436G84.1Confident90.2Very high47 Ų4747.3 Ų47.349%0.48527%0.274SS..Hα-helixtrans-48.2-44.1-172.900000115.4G434 K438 I439 S440G434-G436 PolarHBondContact O-N 3.38Å; G436-K438 PolarHBondContact O-N 2.87Å; G436-I439 PolarHBondContact O-N 2.98Å; G436-S440 PolarHBondContact O-N 2.96Å; G436-S440 PolarHBondContact O-OG 3.06Å
437T89.7Confident89.8Confident110 Ų11046.2 Ų46.268%0.67527%0.268SS*.Hα-helixtrans-64.9-38.2177.8500000113.1V435 K441V435-T437 VanDerWaalsContact C-N 3.3Å; V435-T437 PolarHBondContact O-N 3.4Å; V435-T437 VanDerWaalsContact O-N 3.12Å; T437-K441 WeakPolarHBondContact O-CB 2.94Å; T437-K441 PolarHBondContact O-N 2.97Å
438K92.5Very high89.3Confident42 Ų4245.5 Ų45.518%0.18327%0.267CS..Hα-helixtrans-67-41.1173.6-63.4-173.6174.7-168.20111.4V435 G436 K441 L442 D463 L464 E466 T469V435-K438 HydrophobicContact CB-CB 4.34Å; V435-K438 HydrophobicContact CB-CD 4.1Å; V435-K438 HydrophobicContact CB-CG 4.06Å; V435-K438 HydrophobicContact CG1-CG 4.43Å; V435-K438 HydrophobicContact CG2-CD 4.43Å; V435-K438 WeakPolarHBondContact O-CA 3.48Å; V435-K438 WeakPolarHBondContact O-CB 3.18Å; V435-K438 PolarHBondContact O-N 3.22Å; G436-K438 PolarHBondContact O-N 2.87Å; K438-K441 PolarHBondContact O-N 3.2Å; K438-L442 WeakPolarHBondContact O-CB 3.5Å; K438-L442 PolarHBondContact O-N 2.99Å; K438-D463 WeakPolarHBondContact CD-O 3.45Å; K438-D463 VanDerWaalsContact CE-O 3.29Å; K438-D463 WeakPolarHBondContact CE-O 3.11Å; K438-D463 PolarHBondContact NZ-O 3.18Å; K438-L464 HydrophobicContact CB-CD2 3.79Å; K438-L464 HydrophobicContact CG-CD2 4.12Å; K438-E466 VanDerWaalsContact CD-OE2 3.27Å; K438-E466 WeakPolarHBondContact CD-OE2 3.41Å; K438-E466 IonicContact NZ-OE1 3.57Å; K438-E466 PolarHBondContact NZ-OE1 3.37Å; K438-E466 IonicContact NZ-OE2 3.63Å; K438-E466 PolarHBondContact NZ-OE2 2.85Å; K438-T469 HydrophobicContact CB-CG2 3.64Å
439I91.2Very high88.2Confident14 Ų1452.1 Ų52.17%0.07230%0.298CS..Hα-helixtrans-61.2-46.9178.8-59.8164.1000110.3G434 V435 G436 L442 L443 T469 A473 M476G434-I439 WeakPolarHBondContact O-CD1 3.37Å; V435-I439 WeakPolarHBondContact O-CG1 3.38Å; V435-I439 PolarHBondContact O-N 2.98Å; G436-I439 PolarHBondContact O-N 2.98Å; I439-L442 PolarHBondContact O-N 3.38Å; I439-L443 HydrophobicContact CG2-CD1 4.36Å; I439-L443 PolarHBondContact O-N 2.69Å; I439-T469 HydrophobicContact CG1-CG2 4.1Å; I439-A473 HydrophobicContact CG2-CB 3.93Å; I439-M476 HydrophobicContact CG2-CE 3.7Å
440S88.8Confident86.8Confident66 Ų6661.7 Ų61.746%0.46234%0.34SS..Hα-helixtrans-64.5-41176.4-60.80000112.8G436 L443 A444G436-S440 PolarHBondContact O-N 2.96Å; G436-S440 PolarHBondContact O-OG 3.06Å; S440-L443 PolarHBondContact O-N 2.82Å; S440-A444 WeakPolarHBondContact O-CB 3.34Å; S440-A444 PolarHBondContact O-N 3.24Å
441K91.2Very high85.4Confident81 Ų8165 Ų6535%0.35236%0.355SS..Hα-helixtrans-62.2-41.9175-179.5178.9153.6-147.50111.4T437 K438 A444 L445 D463 L464T437-K441 WeakPolarHBondContact O-CB 2.94Å; T437-K441 PolarHBondContact O-N 2.97Å; K438-K441 PolarHBondContact O-N 3.2Å; K441-A444 PolarHBondContact O-N 3.4Å; K441-L445 HydrophobicContact CG-CD1 3.92Å; K441-L445 VanDerWaalsContact O-CG 3.31Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.34Å; K441-L445 VanDerWaalsContact O-N 3.11Å; K441-D463 VanDerWaalsContact NZ-CG 3.34Å; K441-D463 IonicContact NZ-OD1 2.65Å; K441-D463 PolarHBondContact NZ-OD1 2.92Å; K441-D463 IonicContact NZ-OD2 2.79Å; K441-D463 PolarHBondContact NZ-OD2 2.84Å; K441-L464 HydrophobicContact CB-CD2 4.22Å; K441-L464 HydrophobicContact CD-CD1 4.28Å; K441-L464 HydrophobicContact CD-CD2 3.88Å; K441-L464 HydrophobicContact CG-CD1 4.03Å; K441-L464 HydrophobicContact CG-CD2 4.13Å
442L92.3Very high84Confident0 Ų060.2 Ų60.20%034%0.339CS..Hα-helixtrans-67-39.8178.1-179.557.6000112.7F411 K438 I439 G446 V455 F456 L464 M465 T469 I470 A473F411-L442 HydrophobicContact CE2-CG 4.32Å; K438-L442 WeakPolarHBondContact O-CB 3.5Å; K438-L442 PolarHBondContact O-N 2.99Å; I439-L442 PolarHBondContact O-N 3.38Å; L442-G446 WeakPolarHBondContact O-CA 3.24Å; L442-G446 PolarHBondContact O-N 3.17Å; L442-V455 HydrophobicContact CD1-CG1 3.68Å; L442-F456 HydrophobicContact CD1-CE1 4.4Å; L442-F456 HydrophobicContact CD1-CZ 4.29Å; L442-L464 HydrophobicContact CB-CD1 4.22Å; L442-L464 HydrophobicContact CD1-CB 4.46Å; L442-L464 HydrophobicContact CD1-CD1 4.34Å; L442-M465 HydrophobicContact CD1-CE 3.8Å; L442-T469 HydrophobicContact CD2-CG2 4.32Å; L442-I470 HydrophobicContact CD2-CG1 4.04Å; L442-A473 HydrophobicContact CD2-CB 3.88Å; L442-A473 HydrophobicContact CG-CB 4.27Å
443L90.1Very high82.8Confident2 Ų260 Ų601%0.0134%0.342CS..Hα-helixtrans-65.2-46173.6-77.5165.7000112.1F411 I439 S440 L445 L447 A473 M476F411-L443 HydrophobicContact CE1-CD2 3.63Å; F411-L443 HydrophobicContact CZ-CD2 3.69Å; F411-L443 HydrophobicContact CZ-CG 4.4Å; I439-L443 HydrophobicContact CG2-CD1 4.36Å; I439-L443 PolarHBondContact O-N 2.69Å; S440-L443 PolarHBondContact O-N 2.82Å; L443-L445 PolarHBondContact O-N 3.37Å; L443-L447 HydrophobicContact CD2-CD1 4.23Å; L443-L447 WeakPolarHBondContact O-CB 3.29Å; L443-L447 WeakPolarHBondContact O-CG 3.39Å; L443-L447 PolarHBondContact O-N 3.23Å; L443-L447 VanDerWaalsContact O-N 3.13Å; L443-A473 HydrophobicContact CG-CB 4.26Å; L443-M476 HydrophobicContact CD1-CB 4.18Å; L443-M476 HydrophobicContact CD1-CE 3.48Å; L443-M476 VanDerWaalsContact CD1-CE 3.48Å; L443-M476 HydrophobicContact CD1-CG 4.17Å
444A88.3Confident82.3Confident61 Ų6159.9 Ų59.950%0.50433%0.334SS..Hα-helixtrans-62.5-42.4-177.800000112.5S440 K441 N448S440-A444 WeakPolarHBondContact O-CB 3.34Å; S440-A444 PolarHBondContact O-N 3.24Å; K441-A444 PolarHBondContact O-N 3.4Å; A444-N448 VanDerWaalsContact O-CG 3.29Å; A444-N448 PolarHBondContact O-ND2 2.92Å
445L89.6Confident82.1Confident32 Ų3259.2 Ų59.217%0.16833%0.326CS..Hα-helixtrans-79.3-42.1178.4-59.8169.7000111.9K441 L443 L447 N448 V455 Y461 L464K441-L445 HydrophobicContact CG-CD1 3.92Å; K441-L445 VanDerWaalsContact O-CG 3.31Å; K441-L445 WeakPolarHBondContact O-CG 3.49Å; K441-L445 PolarHBondContact O-N 3.34Å; K441-L445 VanDerWaalsContact O-N 3.11Å; L443-L445 PolarHBondContact O-N 3.37Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.11Å; L445-N448 WeakPolarHBondContact O-CB 3.47Å; L445-N448 PolarHBondContact O-N 3.39Å; L445-V455 HydrophobicContact CB-CG1 4.31Å; L445-V455 HydrophobicContact CB-CG2 3.55Å; L445-V455 HydrophobicContact CD1-CG2 4.48Å; L445-Y461 HydrophobicContact CD1-CD1 4.14Å; L445-Y461 HydrophobicContact CD1-CE1 3.91Å; L445-L464 HydrophobicContact CD1-CD1 4.23Å
446G86.4Confident81.9Confident1 Ų156.6 Ų56.61%0.0131%0.309CS..Hα-helixtrans-72-21-174.200000115.3L442 S452L442-G446 WeakPolarHBondContact O-CA 3.24Å; L442-G446 PolarHBondContact O-N 3.17Å; G446-S452 WeakPolarHBondContact O-CB 3.37Å
447L86.8Confident81.8Confident35 Ų3560 Ų6018%0.18332%0.32CS..THydrogen-bonded Turntrans-90.8-9.5173.4-64.7169.6000112.9Y402 F411 L443 L445 Q449 Y477Y402-L447 HydrophobicContact CD1-CD1 3.96Å; Y402-L447 HydrophobicContact CE1-CD1 3.62Å; F411-L447 HydrophobicContact CB-CD2 3.76Å; F411-L447 HydrophobicContact CD1-CD2 4.12Å; F411-L447 HydrophobicContact CG-CD2 3.9Å; F411-L447 HydrophobicContact CG-CG 4.38Å; L443-L447 HydrophobicContact CD2-CD1 4.23Å; L443-L447 WeakPolarHBondContact O-CB 3.29Å; L443-L447 WeakPolarHBondContact O-CG 3.39Å; L443-L447 PolarHBondContact O-N 3.23Å; L443-L447 VanDerWaalsContact O-N 3.13Å; L445-L447 VanDerWaalsContact C-N 3.34Å; L445-L447 PolarHBondContact O-N 3.11Å; L447-Q449 PolarHBondContact O-N 3.23Å; L447-Y477 HydrophobicContact CD1-CD2 4.26Å; L447-Y477 HydrophobicContact CD2-CD2 4.02Å; L447-Y477 HydrophobicContact CD2-CE2 4.01Å
448N81.5Confident81.4Confident79 Ų7958 Ų5842%0.42231%0.305SS..  trans-77.6108.6173.4-76.6-19.5000110.2A444 L445 K450 E451 S452A444-N448 VanDerWaalsContact O-CG 3.29Å; A444-N448 PolarHBondContact O-ND2 2.92Å; L445-N448 WeakPolarHBondContact O-CB 3.47Å; L445-N448 PolarHBondContact O-N 3.39Å; N448-K450 PolarHBondContact O-N 3.37Å; N448-E451 HydrophobicContact CB-CB 4.31Å; N448-E451 PolarHBondContact ND2-OE2 3.43Å; N448-E451 PolarHBondContact O-N 2.71Å; N448-S452 WeakPolarHBondContact O-CB 3.42Å; N448-S452 PolarHBondContact O-N 2.93Å
449Q66.3Low80.9Confident140 Ų14061.6 Ų61.665%0.65433%0.326SS*.THydrogen-bonded Turntrans-54.9-12.4178.8-66.5-178.2-9.600115.8A407 L447A407-Q449 HydrophobicContact CB-CG 3.8Å; L447-Q449 PolarHBondContact O-N 3.23Å
450K64.4Low80.6Confident203 Ų20367.5 Ų67.588%0.88335%0.351SS*.THydrogen-bonded Turntrans-94.5-13176.9-69.3-172175.7-175.70114.6N448N448-K450 PolarHBondContact O-N 3.37Å
451E64.1Low80.6Confident70 Ų7065.4 Ų65.433%0.32733%0.334SS..THydrogen-bonded Turntrans-128.3-12.9-173.7-59.4177.8136.300111.8N448 D453 D454 V455N448-E451 HydrophobicContact CB-CB 4.31Å; N448-E451 PolarHBondContact ND2-OE2 3.43Å; N448-E451 PolarHBondContact O-N 2.71Å; E451-D453 VanDerWaalsContact C-N 3.3Å; E451-D453 PolarHBondContact O-N 3.2Å; E451-D453 VanDerWaalsContact O-N 3.15Å; E451-D454 PolarHBondContact O-N 2.82Å; E451-D454 VanDerWaalsContact O-N 3.16Å; E451-V455 HydrophobicContact CB-CG2 4.44Å; E451-V455 VanDerWaalsContact O-CG2 3.24Å; E451-V455 WeakPolarHBondContact O-CG2 3.37Å; E451-V455 PolarHBondContact O-N 3.45Å
452S63.7Low80.3Confident12 Ų1270.1 Ų70.18%0.08435%0.349CS..THydrogen-bonded Turntrans-59.8-30.7-166.358.20000115.4G446 N448 F456G446-S452 WeakPolarHBondContact O-CB 3.37Å; N448-S452 WeakPolarHBondContact O-CB 3.42Å; N448-S452 PolarHBondContact O-N 2.93Å; S452-F456 WeakPolarHBondContact O-CD2 3.41Å
453D64.4Low80Confident76 Ų7673.3 Ų73.341%0.40637%0.366SS..THydrogen-bonded Turntrans-84.6-34.2178.6-93.78.3000112.8R414 E451 V455 V457R414-D453 IonicContact CZ-OD1 2.94Å; R414-D453 VanDerWaalsContact CZ-OD1 3.22Å; R414-D453 IonicContact CZ-OD2 3.84Å; R414-D453 IonicContact NE-OD1 2.72Å; R414-D453 PolarHBondContact NE-OD1 3.17Å; R414-D453 IonicContact NH2-OD1 3.49Å; R414-D453 PolarHBondContact NH2-OD1 3.01Å; R414-D453 IonicContact NH2-OD2 2.73Å; R414-D453 PolarHBondContact NH2-OD2 3.26Å; E451-D453 VanDerWaalsContact C-N 3.3Å; E451-D453 PolarHBondContact O-N 3.2Å; E451-D453 VanDerWaalsContact O-N 3.15Å; D453-V455 VanDerWaalsContact C-N 3.31Å; D453-V455 PolarHBondContact O-N 3.09Å; D453-V457 WeakPolarHBondContact O-CG2 3.4Å
454D75.8Confident79.9Confident95 Ų9573.2 Ų73.251%0.50837%0.366SS..G310 helixtrans-63.3-39.6174.9-63.1-25000110.8E451 F456 V457 D458E451-D454 PolarHBondContact O-N 2.82Å; E451-D454 VanDerWaalsContact O-N 3.16Å; D454-F456 PolarHBondContact O-N 3.42Å; D454-F456 VanDerWaalsContact O-N 3.12Å; D454-V457 PolarHBondContact O-N 3.5Å; D454-D458 VanDerWaalsContact O-CB 3.3Å; D454-D458 WeakPolarHBondContact O-CB 3.35Å; D454-D458 PolarHBondContact O-N 3.44Å
455V83.7Confident80Confident0 Ų072 Ų720%035%0.35CS..G310 helixtrans-59.4-27.8-173.6171.60000114.2L442 L445 E451 D453 Y461 M465L442-V455 HydrophobicContact CD1-CG1 3.68Å; L445-V455 HydrophobicContact CB-CG1 4.31Å; L445-V455 HydrophobicContact CB-CG2 3.55Å; L445-V455 HydrophobicContact CD1-CG2 4.48Å; E451-V455 HydrophobicContact CB-CG2 4.44Å; E451-V455 VanDerWaalsContact O-CG2 3.24Å; E451-V455 WeakPolarHBondContact O-CG2 3.37Å; E451-V455 PolarHBondContact O-N 3.45Å; D453-V455 VanDerWaalsContact C-N 3.31Å; D453-V455 PolarHBondContact O-N 3.09Å; V455-Y461 HydrophobicContact CG2-CD2 4.45Å; V455-Y461 HydrophobicContact CG2-CE2 4.32Å; V455-M465 HydrophobicContact CG1-CE 4.49Å; V455-M465 VanDerWaalsContact O-CE 3.24Å; V455-M465 WeakPolarHBondContact O-CE 3.42Å
456F84.6Confident80.1Confident23 Ų2374.3 Ų74.310%0.10136%0.36CS..G310 helixtrans-99.5-1.5179.3-66.9-87.4000113.9F411 R414 V418 L442 S452 D454 M465F411-F456 HydrophobicContact CD2-CE2 4.2Å; F411-F456 AromaticContact CD2-CZ 3.98Å; F411-F456 HydrophobicContact CD2-CZ 3.98Å; F411-F456 HydrophobicContact CE2-CE2 4.47Å; F411-F456 AromaticContact CE2-CZ 3.92Å; F411-F456 HydrophobicContact CE2-CZ 3.92Å; R414-F456 HydrophobicContact CB-CD1 4.17Å; R414-F456 HydrophobicContact CB-CD2 3.63Å; R414-F456 HydrophobicContact CB-CE1 4.08Å; R414-F456 HydrophobicContact CB-CE2 3.54Å; R414-F456 HydrophobicContact CB-CG 3.95Å; R414-F456 HydrophobicContact CB-CZ 3.77Å; R414-F456 HydrophobicContact CG-CD2 3.99Å; R414-F456 HydrophobicContact CG-CE2 4.15Å; V418-F456 HydrophobicContact CG2-CD1 4.15Å; L442-F456 HydrophobicContact CD1-CE1 4.4Å; L442-F456 HydrophobicContact CD1-CZ 4.29Å; S452-F456 WeakPolarHBondContact O-CD2 3.41Å; D454-F456 PolarHBondContact O-N 3.42Å; D454-F456 VanDerWaalsContact O-N 3.12Å; F456-M465 HydrophobicContact CD1-CE 4.06Å; F456-M465 HydrophobicContact CD1-SD 3.98Å; F456-M465 HydrophobicContact CE1-CE 4.45Å
457V81.7Confident80.5Confident118 Ų11874.8 Ų74.872%0.71536%0.363SS*.THydrogen-bonded Turntrans-128.3-36.3-171.6-176.50000113.1D453 D454 D459D453-V457 WeakPolarHBondContact O-CG2 3.4Å; D454-V457 PolarHBondContact O-N 3.5Å; V457-D459 PolarHBondContact O-N 3.28Å
458D82.5Confident80.8Confident68 Ų6875.4 Ų75.436%0.36437%0.366SS..  trans-72.6123179.3176.87000111.4D454 K460 Y461D454-D458 VanDerWaalsContact O-CB 3.3Å; D454-D458 WeakPolarHBondContact O-CB 3.35Å; D454-D458 PolarHBondContact O-N 3.44Å; D458-K460 HydrophobicContact CB-CB 4.5Å; D458-K460 PolarHBondContact O-N 3.04Å; D458-K460 WeakPolarHBondContact OD1-CB 3.49Å; D458-K460 PolarHBondContact OD1-N 3.42Å; D458-K460 WeakPolarHBondContact OD2-CB 3.45Å; D458-K460 WeakPolarHBondContact OD2-CD 3.37Å; D458-Y461 HydrophobicContact CB-CD2 3.94Å; D458-Y461 HydrophobicContact CB-CE2 4.16Å; D458-Y461 PolarHBondContact O-N 3.33Å
459D81.4Confident81.4Confident117 Ų11771.6 Ų71.663%0.62635%0.346SS*.G310 helixtrans-52.1-26.1176.3-102.9-54.5000112.7V457 Y461 R462V457-D459 PolarHBondContact O-N 3.28Å; D459-Y461 PolarHBondContact O-N 2.71Å; D459-Y461 VanDerWaalsContact O-N 3.14Å; D459-R462 WeakPolarHBondContact O-CB 3.44Å; D459-R462 PolarHBondContact O-N 2.94Å; D459-R462 WeakPolarHBondContact OD1-CD 3.46Å; D459-R462 IonicContact OD1-NH1 4Å; D459-R462 PolarHBondContact OD1-NH1 3.43Å
460K85.9Confident82.8Confident138 Ų13865 Ų6560%0.632%0.315SS*.G310 helixtrans-52.2-30.2172.2-176-171.7173.4-162.70113.8D458D458-K460 HydrophobicContact CB-CB 4.5Å; D458-K460 PolarHBondContact O-N 3.04Å; D458-K460 WeakPolarHBondContact OD1-CB 3.49Å; D458-K460 PolarHBondContact OD1-N 3.42Å; D458-K460 WeakPolarHBondContact OD2-CB 3.45Å; D458-K460 WeakPolarHBondContact OD2-CD 3.37Å
461Y86.7Confident84.3Confident22 Ų2255.3 Ų55.39%0.08627%0.273CS..G310 helixtrans-105.711.8-178.4-52.9-68.2000113.4L445 V455 D458 D459 D463 L464L445-Y461 HydrophobicContact CD1-CD1 4.14Å; L445-Y461 HydrophobicContact CD1-CE1 3.91Å; V455-Y461 HydrophobicContact CG2-CD2 4.45Å; V455-Y461 HydrophobicContact CG2-CE2 4.32Å; D458-Y461 HydrophobicContact CB-CD2 3.94Å; D458-Y461 HydrophobicContact CB-CE2 4.16Å; D458-Y461 PolarHBondContact O-N 3.33Å; D459-Y461 PolarHBondContact O-N 2.71Å; D459-Y461 VanDerWaalsContact O-N 3.14Å; Y461-D463 PolarHBondContact O-N 3.14Å; Y461-L464 WeakPolarHBondContact O-CB 3.45Å; Y461-L464 PolarHBondContact O-N 3.48Å
462R85.6Confident85.7Confident181 Ų18152.3 Ų52.368%0.68326%0.26SS*.THydrogen-bonded Turntrans-56-22.5177.2-176.7169.6170.8178.4-3.1113.6D459 L464 M465D459-R462 WeakPolarHBondContact O-CB 3.44Å; D459-R462 PolarHBondContact O-N 2.94Å; D459-R462 WeakPolarHBondContact OD1-CD 3.46Å; D459-R462 IonicContact OD1-NH1 4Å; D459-R462 PolarHBondContact OD1-NH1 3.43Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 3.33Å; R462-M465 PolarHBondContact O-N 3.18Å
463D86.7Confident87.1Confident66 Ų6651.8 Ų51.835%0.35326%0.256SS..THydrogen-bonded Turntrans-64.2-29.7171.878.6-60.9000113.4K438 K441 Y461K438-D463 WeakPolarHBondContact CD-O 3.45Å; K438-D463 VanDerWaalsContact CE-O 3.29Å; K438-D463 WeakPolarHBondContact CE-O 3.11Å; K438-D463 PolarHBondContact NZ-O 3.18Å; K441-D463 VanDerWaalsContact NZ-CG 3.34Å; K441-D463 IonicContact NZ-OD1 2.65Å; K441-D463 PolarHBondContact NZ-OD1 2.92Å; K441-D463 IonicContact NZ-OD2 2.79Å; K441-D463 PolarHBondContact NZ-OD2 2.84Å; Y461-D463 PolarHBondContact O-N 3.14Å
464L88.5Confident88.6Confident0 Ų048.2 Ų48.20%024%0.237CC..THydrogen-bonded Turntrans-84.8-21.8178.1-57.4-176.9000112.9K438 K441 L442 L445 Y461 R462 E466 T469K438-L464 HydrophobicContact CB-CD2 3.79Å; K438-L464 HydrophobicContact CG-CD2 4.12Å; K441-L464 HydrophobicContact CB-CD2 4.22Å; K441-L464 HydrophobicContact CD-CD1 4.28Å; K441-L464 HydrophobicContact CD-CD2 3.88Å; K441-L464 HydrophobicContact CG-CD1 4.03Å; K441-L464 HydrophobicContact CG-CD2 4.13Å; L442-L464 HydrophobicContact CB-CD1 4.22Å; L442-L464 HydrophobicContact CD1-CB 4.46Å; L442-L464 HydrophobicContact CD1-CD1 4.34Å; L445-L464 HydrophobicContact CD1-CD1 4.23Å; Y461-L464 WeakPolarHBondContact O-CB 3.45Å; Y461-L464 PolarHBondContact O-N 3.48Å; R462-L464 VanDerWaalsContact C-N 3.28Å; R462-L464 PolarHBondContact O-N 3.33Å; L464-E466 PolarHBondContact O-N 2.86Å; L464-T469 WeakPolarHBondContact O-CG2 3.34Å
465M90.3Very high89.5Confident35 Ų3545.4 Ų45.417%0.17222%0.22CC..  trans-77.632.2-172.1-63.9-60.7113.800114.1R422 L442 V455 F456 R462 I470R422-M465 PolarHBondContact NH2-O 3.11Å; L442-M465 HydrophobicContact CD1-CE 3.8Å; V455-M465 HydrophobicContact CG1-CE 4.49Å; V455-M465 VanDerWaalsContact O-CE 3.24Å; V455-M465 WeakPolarHBondContact O-CE 3.42Å; F456-M465 HydrophobicContact CD1-CE 4.06Å; F456-M465 HydrophobicContact CD1-SD 3.98Å; F456-M465 HydrophobicContact CE1-CE 4.45Å; R462-M465 PolarHBondContact O-N 3.18Å; M465-I470 HydrophobicContact SD-CD1 4Å
466E91.4Very high89.9Confident82 Ų8247.3 Ų47.338%0.38323%0.23SC..  trans-80.7134.1169.1-65.1162.4157.400109.9K438 L464 N468 T469 I470K438-E466 VanDerWaalsContact CD-OE2 3.27Å; K438-E466 WeakPolarHBondContact CD-OE2 3.41Å; K438-E466 IonicContact NZ-OE1 3.57Å; K438-E466 PolarHBondContact NZ-OE1 3.37Å; K438-E466 IonicContact NZ-OE2 3.63Å; K438-E466 PolarHBondContact NZ-OE2 2.85Å; L464-E466 PolarHBondContact O-N 2.86Å; E466-N468 VanDerWaalsContact C-N 3.31Å; E466-N468 PolarHBondContact O-N 3.47Å; E466-T469 WeakPolarHBondContact O-CA 3.45Å; E466-T469 WeakPolarHBondContact O-CB 3.4Å; E466-T469 PolarHBondContact O-N 3.45Å; E466-T469 PolarHBondContact OE2-OG1 2.92Å; E466-I470 PolarHBondContact O-N 3.09Å
467S93.7Very high90.4Very high11 Ų1146.3 Ų46.38%0.07723%0.225CC..Hα-helixtrans-57-42.7-176-41.10000112.7R422 D426 T469 I470 A471R422-S467 PolarHBondContact NH1-OG 3.02Å; D426-S467 WeakPolarHBondContact OD2-CB 3.46Å; D426-S467 PolarHBondContact OD2-OG 3.03Å; S467-T469 VanDerWaalsContact C-N 3.27Å; S467-T469 PolarHBondContact O-N 3.02Å; S467-I470 PolarHBondContact O-N 3.27Å; S467-A471 WeakPolarHBondContact O-CB 3.31Å; S467-A471 PolarHBondContact O-N 3.31Å
468N93.2Very high90.9Very high47 Ų4740.7 Ų40.725%0.25119%0.191SC..Hα-helixtrans-65.1-29.8176.6-67.2-38.8000112.9G434 E466 S472G434-N468 PolarHBondContact N-O 3.31Å; E466-N468 VanDerWaalsContact C-N 3.31Å; E466-N468 PolarHBondContact O-N 3.47Å; N468-S472 WeakPolarHBondContact O-CB 3.46Å; N468-S472 PolarHBondContact O-N 3.45Å; N468-S472 PolarHBondContact O-OG 2.82Å
469T94.4Very high91.3Very high0 Ų043.6 Ų43.60%020%0.197CC..Hα-helixtrans-73.6-47.2175.9-660000110.6K438 I439 L442 L464 E466 S467 S472 A473K438-T469 HydrophobicContact CB-CG2 3.64Å; I439-T469 HydrophobicContact CG1-CG2 4.1Å; L442-T469 HydrophobicContact CD2-CG2 4.32Å; L464-T469 WeakPolarHBondContact O-CG2 3.34Å; E466-T469 WeakPolarHBondContact O-CA 3.45Å; E466-T469 WeakPolarHBondContact O-CB 3.4Å; E466-T469 PolarHBondContact O-N 3.45Å; E466-T469 PolarHBondContact OE2-OG1 2.92Å; S467-T469 VanDerWaalsContact C-N 3.27Å; S467-T469 PolarHBondContact O-N 3.02Å; T469-S472 PolarHBondContact O-N 2.92Å; T469-A473 WeakPolarHBondContact O-CB 3.34Å; T469-A473 PolarHBondContact O-N 3.07Å
470I95.1Very high91.7Very high0 Ų040.7 Ų40.70%018%0.182CC..Hα-helixtrans-60.8-50.2174.6-60172.7000110.9C415 V418 L419 L442 M465 E466 S467 S472 A473 L474C415-I470 HydrophobicContact CB-CG2 3.65Å; V418-I470 HydrophobicContact CB-CD1 4.16Å; V418-I470 HydrophobicContact CG1-CD1 3.52Å; L419-I470 HydrophobicContact CD1-CG2 4.02Å; L419-I470 HydrophobicContact CD2-CB 4.33Å; L419-I470 HydrophobicContact CD2-CG2 4.36Å; L419-I470 HydrophobicContact CG-CB 4.45Å; L419-I470 HydrophobicContact CG-CG2 3.94Å; L442-I470 HydrophobicContact CD2-CG1 4.04Å; M465-I470 HydrophobicContact SD-CD1 4Å; E466-I470 PolarHBondContact O-N 3.09Å; S467-I470 PolarHBondContact O-N 3.27Å; I470-S472 VanDerWaalsContact C-N 3.26Å; I470-S472 PolarHBondContact O-N 2.82Å; I470-A473 PolarHBondContact O-N 2.93Å; I470-A473 VanDerWaalsContact O-N 3.09Å; I470-L474 PolarHBondContact O-N 3.49Å
471A95.8Very high91.8Very high0 Ų034.5 Ų34.50%016%0.155CC..Hα-helixtrans-60.5-33.4178.100000112.8L419 I429 Y430 S467 K475L419-A471 HydrophobicContact CD1-CB 4.03Å; L419-A471 HydrophobicContact CD2-CB 4.4Å; I429-A471 HydrophobicContact CD1-CB 3.68Å; I429-A471 HydrophobicContact CG1-CB 4.25Å; Y430-A471 HydrophobicContact CD1-CB 3.61Å; Y430-A471 WeakPolarHBondContact CD1-O 3.41Å; Y430-A471 HydrophobicContact CE1-CB 3.53Å; Y430-A471 WeakPolarHBondContact CE1-O 3.33Å; Y430-A471 HydrophobicContact CG-CB 4.19Å; S467-A471 WeakPolarHBondContact O-CB 3.31Å; S467-A471 PolarHBondContact O-N 3.31Å; A471-K475 WeakPolarHBondContact O-CG 3.42Å; A471-K475 PolarHBondContact O-N 3.35Å
472S94.2Very high91.7Very high8 Ų837.5 Ų37.56%0.05617%0.173CC..Hα-helixtrans-76.3-33.4174.6-61.30000112.8G434 N468 T469 I470 M476G434-S472 PolarHBondContact N-OG 3.34Å; N468-S472 WeakPolarHBondContact O-CB 3.46Å; N468-S472 PolarHBondContact O-N 3.45Å; N468-S472 PolarHBondContact O-OG 2.82Å; T469-S472 PolarHBondContact O-N 2.92Å; I470-S472 VanDerWaalsContact C-N 3.26Å; I470-S472 PolarHBondContact O-N 2.82Å; S472-M476 WeakPolarHBondContact O-CB 3.5Å; S472-M476 PolarHBondContact O-N 3.35Å
473A94.4Very high91.6Very high0 Ų031.8 Ų31.80%015%0.154CC..Hα-helixtrans-68.1-44.417500000111.6F411 I439 L442 L443 T469 I470 K475 M476 Y477F411-A473 HydrophobicContact CZ-CB 3.99Å; I439-A473 HydrophobicContact CG2-CB 3.93Å; L442-A473 HydrophobicContact CD2-CB 3.88Å; L442-A473 HydrophobicContact CG-CB 4.27Å; L443-A473 HydrophobicContact CG-CB 4.26Å; T469-A473 WeakPolarHBondContact O-CB 3.34Å; T469-A473 PolarHBondContact O-N 3.07Å; I470-A473 PolarHBondContact O-N 2.93Å; I470-A473 VanDerWaalsContact O-N 3.09Å; A473-K475 PolarHBondContact O-N 3.36Å; A473-M476 PolarHBondContact O-N 3.02Å; A473-M476 VanDerWaalsContact O-N 3.14Å; A473-Y477 PolarHBondContact O-N 2.99Å
474L95.7Very high91.7Very high2 Ų228.7 Ų28.71%0.0114%0.137CC..Hα-helixtrans-53.4-52.2172.2-177152.3000111.3I412 C415 I416 Y430 I470 M476 Y477 L478 F553I412-L474 HydrophobicContact CD1-CB 4.3Å; I412-L474 HydrophobicContact CD1-CD1 4.46Å; I412-L474 HydrophobicContact CD1-CG 3.76Å; I412-L474 HydrophobicContact CG2-CD1 4.42Å; C415-L474 HydrophobicContact CB-CB 4.34Å; C415-L474 HydrophobicContact CB-CD1 3.96Å; I416-L474 HydrophobicContact CD1-CD1 4.32Å; I416-L474 HydrophobicContact CG1-CD1 3.67Å; Y430-L474 HydrophobicContact CE1-CD2 3.97Å; I470-L474 PolarHBondContact O-N 3.49Å; L474-M476 PolarHBondContact O-N 3.07Å; L474-Y477 PolarHBondContact O-N 2.97Å; L474-L478 HydrophobicContact CD2-CD1 3.73Å; L474-L478 WeakPolarHBondContact O-CG 3.38Å; L474-L478 PolarHBondContact O-N 2.96Å; L474-F553 HydrophobicContact CD2-CE1 4.17Å; L474-F553 HydrophobicContact CD2-CZ 4.31Å
475K94.3Very high92Very high35 Ų3528.7 Ų28.715%0.15214%0.137CC..Hα-helixtrans-59.6-43.2175.5-74.3-173.4-56.7168.60112.6Y430 A471 A473 L478 R479 V552 F553Y430-K475 HydrophobicContact CD1-CD 3.91Å; Y430-K475 HydrophobicContact CD1-CG 3.84Å; Y430-K475 HydrophobicContact CE1-CG 4.3Å; Y430-K475 WeakPolarHBondContact O-CE 3.34Å; Y430-K475 PolarHBondContact O-NZ 3.15Å; A471-K475 WeakPolarHBondContact O-CG 3.42Å; A471-K475 PolarHBondContact O-N 3.35Å; A473-K475 PolarHBondContact O-N 3.36Å; K475-L478 PolarHBondContact O-N 3.14Å; K475-R479 VanDerWaalsContact O-CB 3.3Å; K475-R479 WeakPolarHBondContact O-CB 3.23Å; K475-R479 PolarHBondContact O-N 3.49Å; K475-V552 HydrophobicContact CD-CG1 3.56Å; K475-F553 HydrophobicContact CD-CE2 4.44Å; K475-F553 HydrophobicContact CD-CZ 4.21Å; K475-F553 HydrophobicContact CG-CE1 3.94Å; K475-F553 HydrophobicContact CG-CE2 4.41Å; K475-F553 HydrophobicContact CG-CZ 3.7Å
476M92.1Very high92.1Very high40 Ų4027 Ų2720%0.19713%0.129CC..Hα-helixtrans-71.9-33.4-175-170.4153.882.900112.5I439 L443 S472 A473 L474 N480I439-M476 HydrophobicContact CG2-CE 3.7Å; L443-M476 HydrophobicContact CD1-CB 4.18Å; L443-M476 HydrophobicContact CD1-CE 3.48Å; L443-M476 VanDerWaalsContact CD1-CE 3.48Å; L443-M476 HydrophobicContact CD1-CG 4.17Å; S472-M476 WeakPolarHBondContact O-CB 3.5Å; S472-M476 PolarHBondContact O-N 3.35Å; A473-M476 PolarHBondContact O-N 3.02Å; A473-M476 VanDerWaalsContact O-N 3.14Å; L474-M476 PolarHBondContact O-N 3.07Å; M476-N480 WeakPolarHBondContact O-CB 3.3Å; M476-N480 PolarHBondContact O-N 3.47Å; M476-N480 PolarHBondContact O-OD1 3.14Å
477Y94.2Very high92.1Very high2 Ų223.2 Ų23.21%0.00811%0.112CC..Hα-helixtrans-57.5-55.7167169.9-93.8000110.9Y402 H403 G408 F411 I412 L447 A473 L474 R479 N480 L481 M524Y402-Y477 AromaticContact CD2-CD2 3.77Å; Y402-Y477 HydrophobicContact CD2-CD2 3.77Å; Y402-Y477 HydrophobicContact CD2-CE2 4.43Å; Y402-Y477 HydrophobicContact CD2-CG 4.41Å; Y402-Y477 HydrophobicContact CE2-CD2 4.4Å; Y402-Y477 AromaticContact CG-CD2 3.97Å; Y402-Y477 HydrophobicContact CG-CD2 3.97Å; Y402-Y477 HydrophobicContact CG-CE2 4.21Å; H403-Y477 PolarHBondContact O-OH 3.45Å; H403-Y477 VanDerWaalsContact O-OH 3.05Å; G408-Y477 VanDerWaalsContact CA-OH 3.32Å; G408-Y477 WeakPolarHBondContact CA-OH 3.45Å; F411-Y477 HydrophobicContact CD1-CG 4.48Å; I412-Y477 HydrophobicContact CD1-CD1 3.45Å; I412-Y477 VanDerWaalsContact CD1-CD1 3.45Å; I412-Y477 HydrophobicContact CD1-CE1 4.1Å; I412-Y477 HydrophobicContact CD1-CG 4.1Å; I412-Y477 HydrophobicContact CG1-CD1 3.61Å; I412-Y477 HydrophobicContact CG1-CE1 3.71Å; I412-Y477 HydrophobicContact CG1-CG 4.42Å; L447-Y477 HydrophobicContact CD1-CD2 4.26Å; L447-Y477 HydrophobicContact CD2-CD2 4.02Å; L447-Y477 HydrophobicContact CD2-CE2 4.01Å; A473-Y477 PolarHBondContact O-N 2.99Å; L474-Y477 PolarHBondContact O-N 2.97Å; Y477-R479 VanDerWaalsContact C-N 3.28Å; Y477-R479 PolarHBondContact O-N 3.1Å; Y477-N480 PolarHBondContact O-N 3.18Å; Y477-L481 HydrophobicContact CE1-CD2 4.09Å; Y477-L481 HydrophobicContact CE1-CG 4.47Å; Y477-L481 HydrophobicContact CE2-CD2 4.33Å; Y477-L481 PolarHBondContact O-N 3.38Å; Y477-L481 VanDerWaalsContact O-N 3.17Å; Y477-M524 HydrophobicContact CE1-CE 4.1Å
478L93.7Very high91.9Very high0 Ų026.4 Ų26.40%012%0.122CC..Hα-helixtrans-61.5-34.5-177.6-63.8173000112.8I412 L474 K475 L481 L485 M524 V528 F553 T556 L557 R559I412-L478 HydrophobicContact CD1-CD2 4.48Å; I412-L478 HydrophobicContact CD1-CG 4.34Å; L474-L478 HydrophobicContact CD2-CD1 3.73Å; L474-L478 WeakPolarHBondContact O-CG 3.38Å; L474-L478 PolarHBondContact O-N 2.96Å; K475-L478 PolarHBondContact O-N 3.14Å; L478-L481 HydrophobicContact CD2-CD1 4.27Å; L478-L485 HydrophobicContact CD2-CD2 4.35Å; L478-M524 HydrophobicContact CD2-CG 4.2Å; L478-M524 HydrophobicContact CD2-SD 4.29Å; L478-V528 HydrophobicContact CD1-CG1 4.2Å; L478-V528 HydrophobicContact CD1-CG2 3.86Å; L478-V528 HydrophobicContact CD2-CG2 4.5Å; L478-F553 HydrophobicContact CD1-CE1 4.45Å; L478-T556 HydrophobicContact CB-CG2 4Å; L478-L557 HydrophobicContact CB-CD2 4.21Å; L478-L557 HydrophobicContact CD1-CD2 4.07Å; L478-R559 PolarHBondContact O-NH1 3.38Å
479R89.5Confident91.8Very high130 Ų13030.6 Ų30.649%0.49114%0.14SC..Hα-helixtrans-70.9-31.8175.2-167.7-179.865.8178.3-2.6113.3K475 Y477 T556 R559K475-R479 VanDerWaalsContact O-CB 3.3Å; K475-R479 WeakPolarHBondContact O-CB 3.23Å; K475-R479 PolarHBondContact O-N 3.49Å; Y477-R479 VanDerWaalsContact C-N 3.28Å; Y477-R479 PolarHBondContact O-N 3.1Å; R479-T556 HydrophobicContact CB-CG2 4.24Å; R479-R559 PolarHBondContact O-NE 3.21Å; R479-R559 PolarHBondContact O-NH1 2.88Å; R479-R559 PolarHBondContact O-NH2 3.12Å
480N89.5Confident91.7Very high55 Ų5532.5 Ų32.529%0.29415%0.148SC..Hα-helixtrans-98.36.7-174.6-65.613.8000113.4Y402 M476 Y477Y402-N480 HydrophobicContact CD2-CB 3.59Å; Y402-N480 HydrophobicContact CE2-CB 3.65Å; Y402-N480 PolarHBondContact N-O 3.33Å; M476-N480 WeakPolarHBondContact O-CB 3.3Å; M476-N480 PolarHBondContact O-N 3.47Å; M476-N480 PolarHBondContact O-OD1 3.14Å; Y477-N480 PolarHBondContact O-N 3.18Å
481L88.6Confident91.4Very high8 Ų833.5 Ų33.54%0.04215%0.153CC..BIsolated β-bridgetrans-56.3146.1167.3-71.5169.8000111.3Y402 L404 Y477 L478 E483 R559Y402-L481 CarbonylContact O-C 3.44Å; Y402-L481 WeakPolarHBondContact O-CA 3.48Å; L404-L481 HydrophobicContact CD2-CD1 3.79Å; L404-L481 HydrophobicContact CD2-CD2 3.83Å; L404-L481 HydrophobicContact CG-CD1 4.35Å; L404-L481 HydrophobicContact CG-CD2 4.1Å; Y477-L481 HydrophobicContact CE1-CD2 4.09Å; Y477-L481 HydrophobicContact CE1-CG 4.47Å; Y477-L481 HydrophobicContact CE2-CD2 4.33Å; Y477-L481 PolarHBondContact O-N 3.38Å; Y477-L481 VanDerWaalsContact O-N 3.17Å; L478-L481 HydrophobicContact CD2-CD1 4.27Å; L481-E483 WeakPolarHBondContact CB-O 3.38Å; L481-E483 PolarHBondContact O-N 2.85Å; L481-E483 VanDerWaalsContact O-N 3.16Å; L481-R559 PolarHBondContact O-NH2 3.25Å
482N83.7Confident91Very high86 Ų8637.2 Ų37.246%0.4618%0.178SC..SBendtrans-55-30.4176.666.3-32.1000113.8A401 Y402 H403A401-N482 HydrophobicContact CB-CB 3.92Å; Y402-N482 PolarHBondContact O-N 2.71Å; Y402-N482 PolarHBondContact O-OD1 3.5Å; H403-N482 PolarHBondContact ND1-ND2 3.14Å
483E84.1Confident91Very high61 Ų6140.3 Ų40.329%0.28519%0.194SC..SBendtrans-129.5149.2171.2-162.5171.9-16500109L481 T487 Y488 R559L481-E483 WeakPolarHBondContact CB-O 3.38Å; L481-E483 PolarHBondContact O-N 2.85Å; L481-E483 VanDerWaalsContact O-N 3.16Å; E483-T487 WeakPolarHBondContact OE1-CB 3.41Å; E483-Y488 HydrophobicContact CG-CD2 3.6Å; E483-Y488 HydrophobicContact CG-CE2 3.98Å; E483-Y488 HydrophobicContact CG-CG 4.14Å; E483-Y488 PolarHBondContact OE1-N 3.5Å; E483-R559 VanDerWaalsContact C-NH2 3.33Å; E483-R559 PolarHBondContact O-NH2 3.43Å; E483-R559 VanDerWaalsContact O-NH2 3.12Å
484P89.9Confident91Very high1 Ų140.3 Ų40.31%0.00619%0.194CC..  trans-51.8147.3164.321.2-34.8000111.7M486 T487 Y488 L557 R559P484-M486 PolarHBondContact O-N 2.95Å; P484-M486 VanDerWaalsContact O-N 3.12Å; P484-T487 WeakPolarHBondContact O-CA 3.18Å; P484-T487 PolarHBondContact O-N 3.03Å; P484-Y488 HydrophobicContact CG-CD1 3.64Å; P484-Y488 HydrophobicContact CG-CE1 3.68Å; P484-Y488 HydrophobicContact CG-CG 4.11Å; P484-L557 VanDerWaalsContact CB-O 3.3Å; P484-L557 WeakPolarHBondContact CB-O 3.31Å; P484-R559 HydrophobicContact CB-CB 4.07Å; P484-R559 HydrophobicContact CB-CG 4.47Å; P484-R559 HydrophobicContact CG-CB 4.32Å
485L93.9Very high90.8Very high0 Ų040.4 Ų40.40%020%0.195CC..THydrogen-bonded Turntrans-57.1-33.8-177.2-179.658000112.1L404 L478 T487 N521 M524 L525 L557L404-L485 HydrophobicContact CD1-CD1 4.03Å; L404-L485 HydrophobicContact CD2-CD1 4.27Å; L478-L485 HydrophobicContact CD2-CD2 4.35Å; L485-T487 VanDerWaalsContact C-N 3.31Å; L485-N521 HydrophobicContact CD1-CB 4.37Å; L485-N521 WeakPolarHBondContact O-CB 3.38Å; L485-N521 PolarHBondContact O-ND2 3.41Å; L485-M524 HydrophobicContact CD1-CB 3.81Å; L485-M524 HydrophobicContact CD1-CG 3.71Å; L485-M524 HydrophobicContact CD2-CG 4Å; L485-L525 HydrophobicContact CD2-CB 4.04Å; L485-L525 HydrophobicContact CD2-CD1 3.82Å; L485-L525 HydrophobicContact CG-CB 4.33Å; L485-L525 HydrophobicContact CG-CD1 4.34Å; L485-L557 HydrophobicContact CB-CD2 4.11Å; L485-L557 HydrophobicContact CD2-CD2 3.96Å; L485-L557 PolarHBondContact N-O 3.2Å
486M93.4Very high90.7Very high0 Ų043.1 Ų43.10%021%0.208CC..THydrogen-bonded Turntrans-90.210.8178.3-61.2-1796600113.9P484 F494 L517 L525 L557 L558 V577 I578 L581P484-M486 PolarHBondContact O-N 2.95Å; P484-M486 VanDerWaalsContact O-N 3.12Å; M486-F494 HydrophobicContact CB-CD2 4.24Å; M486-F494 HydrophobicContact CB-CE2 3.99Å; M486-F494 HydrophobicContact CE-CD1 3.58Å; M486-F494 HydrophobicContact CE-CD2 3.84Å; M486-F494 HydrophobicContact CE-CE1 3.38Å; M486-F494 HydrophobicContact CE-CE2 3.66Å; M486-F494 HydrophobicContact CE-CG 3.81Å; M486-F494 HydrophobicContact CE-CZ 3.43Å; M486-F494 VanDerWaalsContact CE-CZ 3.43Å; M486-L517 WeakPolarHBondContact O-CD2 3.45Å; M486-L525 HydrophobicContact CG-CD1 4.17Å; M486-L525 HydrophobicContact CG-CD2 4.16Å; M486-L525 HydrophobicContact SD-CD1 4.27Å; M486-L525 HydrophobicContact SD-CD2 4.45Å; M486-L557 PolarHBondContact N-O 2.96Å; M486-L557 HydrophobicContact SD-CB 4.37Å; M486-L558 HydrophobicContact CB-CD2 3.58Å; M486-L558 HydrophobicContact CB-CG 4.07Å; M486-L558 HydrophobicContact CE-CD1 4.21Å; M486-L558 HydrophobicContact CE-CD2 4.24Å; M486-L558 HydrophobicContact CE-CG 4.37Å; M486-L558 HydrophobicContact CG-CD2 4.37Å; M486-L558 HydrophobicContact CG-CG 4.39Å; M486-L558 HydrophobicContact SD-CD1 3.88Å; M486-L558 HydrophobicContact SD-CD2 4.09Å; M486-L558 HydrophobicContact SD-CG 3.73Å; M486-V577 HydrophobicContact CE-CG1 3.74Å; M486-I578 HydrophobicContact SD-CD1 4.03Å; M486-L581 HydrophobicContact CE-CD1 3.93Å; M486-L581 HydrophobicContact SD-CD1 3.98Å
487T91.5Very high90.8Very high2 Ų241.4 Ų41.41%0.01220%0.2CC..  trans65.4149.6179.375.70000116.3E483 P484 L485 Y490 H491 L517 P518E483-T487 WeakPolarHBondContact OE1-CB 3.41Å; P484-T487 WeakPolarHBondContact O-CA 3.18Å; P484-T487 PolarHBondContact O-N 3.03Å; L485-T487 VanDerWaalsContact C-N 3.31Å; T487-Y490 VanDerWaalsContact OG1-CD2 3.27Å; T487-Y490 WeakPolarHBondContact OG1-CD2 3.43Å; T487-Y490 PolarHBondContact OG1-N 3.05Å; T487-Y490 VanDerWaalsContact OG1-N 3.13Å; T487-H491 PolarHBondContact O-N 3.18Å; T487-L517 HydrophobicContact CG2-CD2 4.08Å; T487-P518 HydrophobicContact CG2-CG 4.35Å
488Y88.7Confident90.7Very high77 Ų7741.3 Ų41.330%0.30220%0.2SC..THydrogen-bonded Turntrans-70.5-25.3166.5-64.7-54.5000111.3E483 P484 R559 R561E483-Y488 HydrophobicContact CG-CD2 3.6Å; E483-Y488 HydrophobicContact CG-CE2 3.98Å; E483-Y488 HydrophobicContact CG-CG 4.14Å; E483-Y488 PolarHBondContact OE1-N 3.5Å; P484-Y488 HydrophobicContact CG-CD1 3.64Å; P484-Y488 HydrophobicContact CG-CE1 3.68Å; P484-Y488 HydrophobicContact CG-CG 4.11Å; Y488-R559 WeakPolarHBondContact CD1-O 3.5Å; Y488-R559 VanDerWaalsContact CE1-O 3.28Å; Y488-R559 WeakPolarHBondContact CE1-O 3.47Å; Y488-R561 HydrophobicContact CD1-CB 3.76Å; Y488-R561 HydrophobicContact CD1-CG 4.32Å; Y488-R561 HydrophobicContact CE1-CB 4.14Å; Y488-R561 HydrophobicContact CG-CB 4.2Å; Y488-R561 HydrophobicContact CG-CG 4.37Å
489Q90.4Very high90.6Very high135 Ų13542.5 Ų42.563%0.63121%0.205SC*.THydrogen-bonded Turntrans-61.9-45.8178.2179.6176.2-12.700112
490Y92.2Very high90.7Very high40 Ų4039.6 Ų39.616%0.15720%0.197CC..THydrogen-bonded Turntrans-100.80.4-177.4-57.6-61.4000114T487 S492 D493 F494 L513 K516 L517T487-Y490 VanDerWaalsContact OG1-CD2 3.27Å; T487-Y490 WeakPolarHBondContact OG1-CD2 3.43Å; T487-Y490 PolarHBondContact OG1-N 3.05Å; T487-Y490 VanDerWaalsContact OG1-N 3.13Å; Y490-S492 PolarHBondContact O-N 2.78Å; Y490-D493 PolarHBondContact O-N 3.17Å; Y490-D493 VanDerWaalsContact O-N 3.1Å; Y490-F494 WeakPolarHBondContact O-CD2 3.46Å; Y490-F494 PolarHBondContact O-N 2.88Å; Y490-L513 HydrophobicContact CD1-CD2 4.45Å; Y490-K516 HydrophobicContact CE1-CB 4.18Å; Y490-K516 HydrophobicContact CE1-CD 4.32Å; Y490-K516 HydrophobicContact CE2-CB 4.2Å; Y490-K516 VanDerWaalsContact CE2-O 3.24Å; Y490-K516 WeakPolarHBondContact CE2-O 3.39Å; Y490-K516 PolarHBondContact OH-O 3.11Å; Y490-L517 HydrophobicContact CD2-CD2 4.1Å
491H90Very high90.3Very high22 Ų2245.1 Ų45.110%0.10222%0.221CC..Hα-helixtrans-50.6-52.2179.2178.3-68.2000112.4T487 D493 F494 I495 R559 P560T487-H491 PolarHBondContact O-N 3.18Å; H491-D493 VanDerWaalsContact C-N 3.34Å; H491-D493 PolarHBondContact O-N 3.12Å; H491-F494 PolarHBondContact O-N 2.79Å; H491-I495 WeakPolarHBondContact O-CG1 3.29Å; H491-I495 PolarHBondContact O-N 2.86Å; H491-R559 PolarHBondContact CD2-O 2.92Å; H491-R559 VanDerWaalsContact CD2-O 3.27Å; H491-P560 VanDerWaalsContact NE2-CA 3.35Å; H491-P560 WeakPolarHBondContact NE2-CA 3.44Å
492S88Confident90.2Very high77 Ų7747.9 Ų47.954%0.53824%0.238SC..Hα-helixtrans-62.2-41.8178.7-56.30000111.8Y490 F494 I495 E496Y490-S492 PolarHBondContact O-N 2.78Å; S492-F494 PolarHBondContact O-N 3.23Å; S492-I495 PolarHBondContact O-N 3.03Å; S492-E496 WeakPolarHBondContact O-CG 3.41Å; S492-E496 PolarHBondContact O-N 3.11Å
493D92.6Very high90.4Very high74 Ų7448.8 Ų48.840%0.39624%0.243SC..Hα-helixtrans-63.1-41178.8-61.3-3000111.6Y490 H491 E496 A497 L513Y490-D493 PolarHBondContact O-N 3.17Å; Y490-D493 VanDerWaalsContact O-N 3.1Å; H491-D493 VanDerWaalsContact C-N 3.34Å; H491-D493 PolarHBondContact O-N 3.12Å; D493-E496 PolarHBondContact O-N 3.1Å; D493-A497 VanDerWaalsContact O-CB 3.24Å; D493-A497 WeakPolarHBondContact O-CB 3.35Å; D493-A497 PolarHBondContact O-N 3.01Å; D493-L513 VanDerWaalsContact C-CD1 3.46Å; D493-L513 HydrophobicContact CB-CD1 3.81Å; D493-L513 HydrophobicContact CB-CD2 3.53Å; D493-L513 HydrophobicContact CB-CG 4.34Å; D493-L513 WeakPolarHBondContact O-CD1 3.24Å
494F94.8Very high90.7Very high0 Ų050.5 Ų50.50%025%0.254CS..Hα-helixtrans-65.4-38.5175.8-80.9-65.2000112.3M486 Y490 H491 S492 A497 A498 V510 L513 V514 L517 L558 V577M486-F494 HydrophobicContact CB-CD2 4.24Å; M486-F494 HydrophobicContact CB-CE2 3.99Å; M486-F494 HydrophobicContact CE-CD1 3.58Å; M486-F494 HydrophobicContact CE-CD2 3.84Å; M486-F494 HydrophobicContact CE-CE1 3.38Å; M486-F494 HydrophobicContact CE-CE2 3.66Å; M486-F494 HydrophobicContact CE-CG 3.81Å; M486-F494 HydrophobicContact CE-CZ 3.43Å; M486-F494 VanDerWaalsContact CE-CZ 3.43Å; Y490-F494 WeakPolarHBondContact O-CD2 3.46Å; Y490-F494 PolarHBondContact O-N 2.88Å; H491-F494 PolarHBondContact O-N 2.79Å; S492-F494 PolarHBondContact O-N 3.23Å; F494-A497 PolarHBondContact O-N 2.75Å; F494-A498 PolarHBondContact O-N 3.39Å; F494-V510 HydrophobicContact CD1-CG1 4.45Å; F494-V510 HydrophobicContact CE1-CG1 4.29Å; F494-L513 HydrophobicContact CD1-CB 3.89Å; F494-L513 HydrophobicContact CD1-CD1 3.91Å; F494-L513 HydrophobicContact CE1-CB 3.36Å; F494-L513 HydrophobicContact CE1-CD1 4.26Å; F494-L513 HydrophobicContact CE1-CG 4.46Å; F494-L513 HydrophobicContact CE2-CB 4.26Å; F494-L513 HydrophobicContact CG-CD1 4.22Å; F494-L513 HydrophobicContact CZ-CB 3.57Å; F494-V514 HydrophobicContact CE1-CG2 4.1Å; F494-V514 HydrophobicContact CZ-CG2 4.3Å; F494-L517 HydrophobicContact CE2-CD2 4.17Å; F494-L517 HydrophobicContact CZ-CD1 4.4Å; F494-L517 HydrophobicContact CZ-CD2 4.48Å; F494-L517 HydrophobicContact CZ-CG 4.43Å; F494-L558 HydrophobicContact CB-CD2 4.04Å; F494-L558 HydrophobicContact CD2-CD2 4.06Å; F494-L558 HydrophobicContact CG-CD2 4.27Å; F494-V577 HydrophobicContact CB-CG2 4.3Å; F494-V577 HydrophobicContact CD1-CG1 4.1Å; F494-V577 WeakPolarHBondContact O-CG2 3.47Å
495I91.8Very high90.8Very high4 Ų454.3 Ų54.32%0.02127%0.272CS..Hα-helixtrans-63.5-50.1173.9-70.9-69.3000110.6H491 S492 A497 A498 K499 D570 F573 N574H491-I495 WeakPolarHBondContact O-CG1 3.29Å; H491-I495 PolarHBondContact O-N 2.86Å; S492-I495 PolarHBondContact O-N 3.03Å; I495-A497 VanDerWaalsContact C-N 3.29Å; I495-A497 PolarHBondContact O-N 3.35Å; I495-A498 PolarHBondContact O-N 2.74Å; I495-A498 VanDerWaalsContact O-N 3.08Å; I495-K499 HydrophobicContact CG2-CD 3.99Å; I495-K499 VanDerWaalsContact CG2-NZ 3.27Å; I495-K499 WeakPolarHBondContact O-CG 3.2Å; I495-K499 PolarHBondContact O-N 3.4Å; I495-D570 HydrophobicContact CD1-CB 4.27Å; I495-D570 HydrophobicContact CG2-CB 4.38Å; I495-D570 WeakPolarHBondContact CG2-OD2 3.4Å; I495-F573 HydrophobicContact CD1-CB 3.82Å; I495-N574 WeakPolarHBondContact CD1-OD1 3.11Å
496E92Very high90.8Very high91 Ų9154.9 Ų54.943%0.42527%0.274SS..Hα-helixtrans-68.4-27178.9-61.9-52.3125.700112.7S492 D493 K499 Q500S492-E496 WeakPolarHBondContact O-CG 3.41Å; S492-E496 PolarHBondContact O-N 3.11Å; D493-E496 PolarHBondContact O-N 3.1Å; E496-K499 PolarHBondContact O-N 2.81Å; E496-K499 VanDerWaalsContact OE1-CD 3.27Å; E496-K499 WeakPolarHBondContact OE1-CD 3.15Å; E496-K499 IonicContact OE1-NZ 2.85Å; E496-K499 PolarHBondContact OE1-NZ 2.78Å; E496-Q500 PolarHBondContact O-NE2 3.08Å
497A93.8Very high90.9Very high4 Ų454.9 Ų54.93%0.03327%0.274CS..Hα-helixtrans-68-36168.800000112.4D493 F494 I495 K499 Q500 R506 E509 V510 L513D493-A497 VanDerWaalsContact O-CB 3.24Å; D493-A497 WeakPolarHBondContact O-CB 3.35Å; D493-A497 PolarHBondContact O-N 3.01Å; F494-A497 PolarHBondContact O-N 2.75Å; I495-A497 VanDerWaalsContact C-N 3.29Å; I495-A497 PolarHBondContact O-N 3.35Å; A497-K499 VanDerWaalsContact C-N 3.32Å; A497-Q500 WeakPolarHBondContact O-CG 3.31Å; A497-R506 WeakPolarHBondContact O-CA 3.27Å; A497-R506 WeakPolarHBondContact O-CG 3.33Å; A497-E509 HydrophobicContact CB-CB 3.78Å; A497-V510 HydrophobicContact CB-CG2 3.99Å; A497-L513 HydrophobicContact CB-CD1 3.75Å
498A92.8Very high91Very high0 Ų058 Ų580%029%0.29CS..Hα-helixtrans-74.3-20.6172.600000113.7F494 I495 R506 F573 I576 V577F494-A498 PolarHBondContact O-N 3.39Å; I495-A498 PolarHBondContact O-N 2.74Å; I495-A498 VanDerWaalsContact O-N 3.08Å; A498-R506 WeakPolarHBondContact O-CD 3.33Å; A498-R506 PolarHBondContact O-NE 3.25Å; A498-R506 VanDerWaalsContact O-NE 3.1Å; A498-F573 HydrophobicContact CB-CB 4.07Å; A498-F573 HydrophobicContact CB-CD1 4.44Å; A498-I576 HydrophobicContact CB-CB 4.32Å; A498-I576 HydrophobicContact CB-CG2 3.96Å; A498-V577 HydrophobicContact CB-CG2 3.68Å
499K91.2Very high91.3Very high25 Ų2557.4 Ų57.411%0.10929%0.29CS..THydrogen-bonded Turntrans-83.1-4176.5-69.5170.1178.7170.90114.5T82 A83 I495 E496 A497 D570 F573T82-K499 PolarHBondContact OG1-NZ 3.29Å; A83-K499 HydrophobicContact CB-CB 3.88Å; A83-K499 HydrophobicContact CB-CD 3.65Å; A83-K499 HydrophobicContact CB-CG 3.57Å; I495-K499 HydrophobicContact CG2-CD 3.99Å; I495-K499 VanDerWaalsContact CG2-NZ 3.27Å; I495-K499 WeakPolarHBondContact O-CG 3.2Å; I495-K499 PolarHBondContact O-N 3.4Å; E496-K499 PolarHBondContact O-N 2.81Å; E496-K499 VanDerWaalsContact OE1-CD 3.27Å; E496-K499 WeakPolarHBondContact OE1-CD 3.15Å; E496-K499 IonicContact OE1-NZ 2.85Å; E496-K499 PolarHBondContact OE1-NZ 2.78Å; A497-K499 VanDerWaalsContact C-N 3.32Å; K499-D570 VanDerWaalsContact CE-OD1 3.3Å; K499-D570 WeakPolarHBondContact CE-OD1 3.39Å; K499-D570 VanDerWaalsContact NZ-CG 3.34Å; K499-D570 IonicContact NZ-OD1 3.74Å; K499-D570 PolarHBondContact NZ-OD1 3Å; K499-D570 IonicContact NZ-OD2 2.81Å; K499-D570 PolarHBondContact NZ-OD2 3.19Å; K499-F573 HydrophobicContact CD-CD2 4.38Å; K499-F573 HydrophobicContact CD-CE2 4.29Å; K499-F573 VanDerWaalsContact CE-CD2 3.47Å; K499-F573 VanDerWaalsContact CE-CE2 3.49Å; K499-F573 HydrophobicContact CG-CD1 3.79Å; K499-F573 HydrophobicContact CG-CD2 4.04Å; K499-F573 HydrophobicContact CG-CE1 3.72Å; K499-F573 HydrophobicContact CG-CE2 3.97Å; K499-F573 HydrophobicContact CG-CG 3.97Å; K499-F573 HydrophobicContact CG-CZ 3.83Å
500Q91.1Very high91.6Very high69 Ų6951 Ų5132%0.32226%0.26SS..SBendtrans-61151177.2-59.2-60.2-62.800111.9E496 A497 Q505 R506E496-Q500 PolarHBondContact O-NE2 3.08Å; A497-Q500 WeakPolarHBondContact O-CG 3.31Å; Q500-Q505 HydrophobicContact CB-CB 3.85Å; Q500-Q505 HydrophobicContact CG-CB 4.28Å; Q500-R506 HydrophobicContact CB-CG 3.88Å; Q500-R506 VanDerWaalsContact O-CZ 3.26Å; Q500-R506 PolarHBondContact O-NE 3.2Å; Q500-R506 PolarHBondContact O-NH2 3Å
501E81.6Confident91.8Very high171 Ų17149.6 Ų49.680%0.79926%0.255SS*.SBendtrans-65.5-47-175.3-66178.1178.700113.2R506E501-R506 PolarHBondContact O-NH2 3.16Å
502T87.2Confident92Very high66 Ų6650.4 Ų50.441%0.40526%0.258SS..SBendtrans-101.3142.3-175.673.70000112.9N504 Q505 R506T502-N504 PolarHBondContact O-N 3.04Å; T502-N504 VanDerWaalsContact O-N 3.16Å; T502-Q505 VanDerWaalsContact N-OE1 3.11Å; T502-Q505 WeakPolarHBondContact O-CB 3.35Å; T502-Q505 PolarHBondContact O-N 3.02Å; T502-Q505 VanDerWaalsContact OG1-CG 3.31Å; T502-Q505 WeakPolarHBondContact OG1-CG 3.49Å; T502-Q505 PolarHBondContact OG1-N 2.83Å; T502-Q505 PolarHBondContact OG1-OE1 3.41Å; T502-R506 PolarHBondContact O-N 3.26Å
503L88Confident92.4Very high106 Ų10647 Ų4756%0.55523%0.234SC*.Hα-helixtrans-52.4-38.4175.4-179.861.5000112.7R506 V507L503-R506 PolarHBondContact O-N 3.47Å; L503-V507 HydrophobicContact CD1-CG2 4.19Å; L503-V507 HydrophobicContact CG-CG2 4.39Å; L503-V507 WeakPolarHBondContact O-CB 3.36Å; L503-V507 VanDerWaalsContact O-CG2 3.25Å; L503-V507 WeakPolarHBondContact O-CG2 3.16Å; L503-V507 PolarHBondContact O-N 3Å
504N90Very high92.5Very high97 Ų9743.5 Ų43.552%0.51922%0.216SC..Hα-helixtrans-68.3-34.7178-86.3-61.6000113.3T502 N508 R587T502-N504 PolarHBondContact O-N 3.04Å; T502-N504 VanDerWaalsContact O-N 3.16Å; N504-N508 VanDerWaalsContact O-CB 3.3Å; N504-N508 WeakPolarHBondContact O-CB 3.3Å; N504-N508 PolarHBondContact O-N 3.03Å; N504-N508 PolarHBondContact O-ND2 3.27Å; N504-R587 PolarHBondContact OD1-NH1 2.94Å
505Q91.9Very high92.5Very high81 Ų8147.4 Ų47.438%0.37923%0.231SC..Hα-helixtrans-66.4-45.9170.8-73.9158.3-41.800110.7Q500 T502 V507 N508 E509Q500-Q505 HydrophobicContact CB-CB 3.85Å; Q500-Q505 HydrophobicContact CG-CB 4.28Å; T502-Q505 VanDerWaalsContact N-OE1 3.11Å; T502-Q505 WeakPolarHBondContact O-CB 3.35Å; T502-Q505 PolarHBondContact O-N 3.02Å; T502-Q505 VanDerWaalsContact OG1-CG 3.31Å; T502-Q505 WeakPolarHBondContact OG1-CG 3.49Å; T502-Q505 PolarHBondContact OG1-N 2.83Å; T502-Q505 PolarHBondContact OG1-OE1 3.41Å; Q505-V507 PolarHBondContact O-N 3.16Å; Q505-N508 PolarHBondContact O-N 3.01Å; Q505-E509 PolarHBondContact O-N 3.5Å
506R93.6Very high92.6Very high11 Ų1152.1 Ų52.14%0.04225%0.251CS..Hα-helixtrans-56.3-49.8177-58.5-178.5-173.5149.810.5111.6D86 A497 A498 Q500 E501 T502 L503 N508 V510 I580D86-R506 VanDerWaalsContact CG-NH1 3.31Å; D86-R506 IonicContact OD1-CZ 3.22Å; D86-R506 IonicContact OD1-NH1 2.79Å; D86-R506 PolarHBondContact OD1-NH1 3.42Å; D86-R506 IonicContact OD1-NH2 3.77Å; D86-R506 PolarHBondContact OD1-NH2 3.29Å; D86-R506 IonicContact OD2-CZ 2.65Å; D86-R506 IonicContact OD2-NH1 3.13Å; D86-R506 PolarHBondContact OD2-NH1 2.68Å; D86-R506 IonicContact OD2-NH2 2.65Å; A497-R506 WeakPolarHBondContact O-CA 3.27Å; A497-R506 WeakPolarHBondContact O-CG 3.33Å; A498-R506 WeakPolarHBondContact O-CD 3.33Å; A498-R506 PolarHBondContact O-NE 3.25Å; A498-R506 VanDerWaalsContact O-NE 3.1Å; Q500-R506 HydrophobicContact CB-CG 3.88Å; Q500-R506 VanDerWaalsContact O-CZ 3.26Å; Q500-R506 PolarHBondContact O-NE 3.2Å; Q500-R506 PolarHBondContact O-NH2 3Å; E501-R506 PolarHBondContact O-NH2 3.16Å; T502-R506 PolarHBondContact O-N 3.26Å; L503-R506 PolarHBondContact O-N 3.47Å; R506-N508 PolarHBondContact O-N 3.35Å; R506-V510 VanDerWaalsContact O-CB 3.31Å; R506-V510 WeakPolarHBondContact O-CB 3.27Å; R506-V510 VanDerWaalsContact O-CG2 3.23Å; R506-V510 WeakPolarHBondContact O-CG2 3.32Å; R506-V510 PolarHBondContact O-N 3.22Å; R506-I580 HydrophobicContact CB-CD1 3.61Å
507V94.9Very high92.7Very high1 Ų148.4 Ų48.41%0.00623%0.234CC..Hα-helixtrans-60-45.4177.1173.90000111.3L503 Q505 H511 I580 N584 R587 I588L503-V507 HydrophobicContact CD1-CG2 4.19Å; L503-V507 HydrophobicContact CG-CG2 4.39Å; L503-V507 WeakPolarHBondContact O-CB 3.36Å; L503-V507 VanDerWaalsContact O-CG2 3.25Å; L503-V507 WeakPolarHBondContact O-CG2 3.16Å; L503-V507 PolarHBondContact O-N 3Å; Q505-V507 PolarHBondContact O-N 3.16Å; V507-H511 WeakPolarHBondContact O-CB 3.34Å; V507-H511 PolarHBondContact O-N 3.11Å; V507-I580 HydrophobicContact CG2-CG2 4.04Å; V507-N584 HydrophobicContact CG1-CB 4.23Å; V507-R587 VanDerWaalsContact CG1-CZ 3.47Å; V507-I588 HydrophobicContact CG1-CD1 4.46Å
508N93.8Very high92.8Very high67 Ų6750.9 Ų50.936%0.35825%0.25SS..Hα-helixtrans-65.8-43.8-179.1-76.3-14000113.1N504 Q505 R506 H511 K512 R587N504-N508 VanDerWaalsContact O-CB 3.3Å; N504-N508 WeakPolarHBondContact O-CB 3.3Å; N504-N508 PolarHBondContact O-N 3.03Å; N504-N508 PolarHBondContact O-ND2 3.27Å; Q505-N508 PolarHBondContact O-N 3.01Å; R506-N508 PolarHBondContact O-N 3.35Å; N508-H511 WeakPolarHBondContact O-CB 3.35Å; N508-H511 PolarHBondContact O-N 3.29Å; N508-K512 WeakPolarHBondContact O-CG 3.21Å; N508-K512 PolarHBondContact O-N 3.49Å; N508-R587 PolarHBondContact OD1-NH2 2.89Å
509E95Very high92.8Very high64 Ų6456.5 Ų56.530%0.29928%0.276SS..Hα-helixtrans-74.9-37.4-179.2-64.2-51.6129.600111.7A497 Q505 H511 K512 L513A497-E509 HydrophobicContact CB-CB 3.78Å; Q505-E509 PolarHBondContact O-N 3.5Å; E509-H511 VanDerWaalsContact C-N 3.31Å; E509-H511 PolarHBondContact O-N 3.26Å; E509-K512 PolarHBondContact O-N 2.89Å; E509-K512 WeakPolarHBondContact OE1-CD 3.3Å; E509-K512 WeakPolarHBondContact OE1-CE 3.21Å; E509-K512 IonicContact OE1-NZ 3.82Å; E509-K512 PolarHBondContact OE1-NZ 3.35Å; E509-K512 WeakPolarHBondContact OE2-CD 3.45Å; E509-K512 IonicContact OE2-NZ 2.81Å; E509-L513 WeakPolarHBondContact O-CB 3.36Å; E509-L513 VanDerWaalsContact O-CG 3.22Å; E509-L513 WeakPolarHBondContact O-CG 3.38Å; E509-L513 PolarHBondContact O-N 3.26Å
510V96.4Very high92.9Very high0 Ų057.9 Ų57.90%029%0.288CS..Hα-helixtrans-59.7-42.1168.6172.40000110.7F494 A497 R506 L513 V514 V577 I580 L581 I588F494-V510 HydrophobicContact CD1-CG1 4.45Å; F494-V510 HydrophobicContact CE1-CG1 4.29Å; A497-V510 HydrophobicContact CB-CG2 3.99Å; R506-V510 VanDerWaalsContact O-CB 3.31Å; R506-V510 WeakPolarHBondContact O-CB 3.27Å; R506-V510 VanDerWaalsContact O-CG2 3.23Å; R506-V510 WeakPolarHBondContact O-CG2 3.32Å; R506-V510 PolarHBondContact O-N 3.22Å; V510-L513 PolarHBondContact O-N 2.91Å; V510-V514 HydrophobicContact CG1-CG2 4.32Å; V510-V514 WeakPolarHBondContact O-CG2 3.31Å; V510-V514 PolarHBondContact O-N 2.85Å; V510-V577 HydrophobicContact CG1-CG1 4.29Å; V510-V577 HydrophobicContact CG2-CG1 4.39Å; V510-I580 HydrophobicContact CB-CG2 4.05Å; V510-I580 HydrophobicContact CG1-CG2 3.96Å; V510-I580 HydrophobicContact CG2-CD1 4.41Å; V510-I580 HydrophobicContact CG2-CG2 4.29Å; V510-L581 HydrophobicContact CG1-CD2 3.62Å; V510-L581 HydrophobicContact CG1-CG 4.3Å; V510-I588 HydrophobicContact CG1-CD1 4.35Å
511H96.6Very high93.1Very high11 Ų1155.5 Ų55.55%0.05128%0.277CS..Hα-helixtrans-61.4-45.3176.2-173.4-168000112.4V507 N508 E509 L513 Y515 R587 I588 N591V507-H511 WeakPolarHBondContact O-CB 3.34Å; V507-H511 PolarHBondContact O-N 3.11Å; N508-H511 WeakPolarHBondContact O-CB 3.35Å; N508-H511 PolarHBondContact O-N 3.29Å; E509-H511 VanDerWaalsContact C-N 3.31Å; E509-H511 PolarHBondContact O-N 3.26Å; H511-L513 VanDerWaalsContact C-N 3.31Å; H511-L513 PolarHBondContact O-N 3.47Å; H511-Y515 AromaticContact CD2-CD2 3.79Å; H511-Y515 AromaticContact CD2-CE2 3.79Å; H511-Y515 AromaticContact NE2-CE2 3.6Å; H511-Y515 PolarHBondContact O-N 3.49Å; H511-R587 PolarHBondContact CE1-O 3.35Å; H511-R587 PolarHBondContact NE2-O 3.4Å; H511-I588 HydrophobicContact CB-CG1 4.16Å; H511-I588 PolarHBondContact CD2-O 3.2Å; H511-I588 PolarHBondContact NE2-O 3.31Å; H511-N591 PolarHBondContact CE1-O 2.86Å; H511-N591 PolarHBondContact NE2-O 2.94Å
512K94.7Very high93.8Very high39 Ų3948.6 Ų48.617%0.1725%0.245CC..Hα-helixtrans-61.8-35.9173.5-73.4170.5-177-179.60112.7N508 E509 K516 P593 D596N508-K512 WeakPolarHBondContact O-CG 3.21Å; N508-K512 PolarHBondContact O-N 3.49Å; E509-K512 PolarHBondContact O-N 2.89Å; E509-K512 WeakPolarHBondContact OE1-CD 3.3Å; E509-K512 WeakPolarHBondContact OE1-CE 3.21Å; E509-K512 IonicContact OE1-NZ 3.82Å; E509-K512 PolarHBondContact OE1-NZ 3.35Å; E509-K512 WeakPolarHBondContact OE2-CD 3.45Å; E509-K512 IonicContact OE2-NZ 2.81Å; K512-K516 WeakPolarHBondContact O-CG 3.44Å; K512-P593 HydrophobicContact CG-CB 4.21Å; K512-D596 WeakPolarHBondContact CE-OD1 3.47Å; K512-D596 WeakPolarHBondContact CE-OD2 3.4Å; K512-D596 IonicContact NZ-OD1 3.39Å; K512-D596 PolarHBondContact NZ-OD1 3.01Å; K512-D596 IonicContact NZ-OD2 3.52Å; K512-D596 PolarHBondContact NZ-OD2 2.88Å
513L95.5Very high94.2Very high7 Ų749.8 Ų49.84%0.03725%0.246CC..Hα-helixtrans-77.3-38.4-179.4-71.2167.4000112.9Y490 D493 F494 A497 E509 V510 H511 Y515 K516 L517Y490-L513 HydrophobicContact CD1-CD2 4.45Å; D493-L513 VanDerWaalsContact C-CD1 3.46Å; D493-L513 HydrophobicContact CB-CD1 3.81Å; D493-L513 HydrophobicContact CB-CD2 3.53Å; D493-L513 HydrophobicContact CB-CG 4.34Å; D493-L513 WeakPolarHBondContact O-CD1 3.24Å; F494-L513 HydrophobicContact CD1-CB 3.89Å; F494-L513 HydrophobicContact CD1-CD1 3.91Å; F494-L513 HydrophobicContact CE1-CB 3.36Å; F494-L513 HydrophobicContact CE1-CD1 4.26Å; F494-L513 HydrophobicContact CE1-CG 4.46Å; F494-L513 HydrophobicContact CE2-CB 4.26Å; F494-L513 HydrophobicContact CG-CD1 4.22Å; F494-L513 HydrophobicContact CZ-CB 3.57Å; A497-L513 HydrophobicContact CB-CD1 3.75Å; E509-L513 WeakPolarHBondContact O-CB 3.36Å; E509-L513 VanDerWaalsContact O-CG 3.22Å; E509-L513 WeakPolarHBondContact O-CG 3.38Å; E509-L513 PolarHBondContact O-N 3.26Å; V510-L513 PolarHBondContact O-N 2.91Å; H511-L513 VanDerWaalsContact C-N 3.31Å; H511-L513 PolarHBondContact O-N 3.47Å; L513-Y515 VanDerWaalsContact C-N 3.26Å; L513-Y515 PolarHBondContact O-N 3.14Å; L513-K516 HydrophobicContact CD2-CD 4.2Å; L513-K516 WeakPolarHBondContact O-CB 3.48Å; L513-K516 PolarHBondContact O-N 3.23Å; L513-L517 PolarHBondContact O-N 3.13Å
514V96.5Very high94.7Very high0 Ų044.8 Ų44.80%022%0.219CC..Hα-helixtrans-55.6-43.5173.9166.90000110.7F494 V510 K516 L517 F522 L525 L581 I588 F589F494-V514 HydrophobicContact CE1-CG2 4.1Å; F494-V514 HydrophobicContact CZ-CG2 4.3Å; V510-V514 HydrophobicContact CG1-CG2 4.32Å; V510-V514 WeakPolarHBondContact O-CG2 3.31Å; V510-V514 PolarHBondContact O-N 2.85Å; V514-K516 PolarHBondContact O-N 3.31Å; V514-L517 WeakPolarHBondContact O-CB 3.38Å; V514-L517 WeakPolarHBondContact O-CG 3.42Å; V514-L517 PolarHBondContact O-N 3Å; V514-F522 HydrophobicContact CG1-CD2 3.79Å; V514-F522 HydrophobicContact CG1-CE2 3.73Å; V514-L525 HydrophobicContact CG2-CD2 4.32Å; V514-L581 HydrophobicContact CG2-CD2 3.61Å; V514-I588 HydrophobicContact CB-CG2 4.19Å; V514-I588 HydrophobicContact CG1-CG2 4.17Å; V514-I588 HydrophobicContact CG2-CG2 4.04Å; V514-F589 HydrophobicContact CG1-CD1 4.27Å; V514-F589 HydrophobicContact CG1-CE1 3.73Å; V514-F589 HydrophobicContact CG1-CZ 4.07Å
515Y94.6Very high95Very high81 Ų8140.1 Ų40.132%0.31819%0.194SC..THydrogen-bonded Turntrans-74.6-0.3176.3-85-83.2000115.6H511 L513 F522 I588 F589 N591 K592 P593H511-Y515 AromaticContact CD2-CD2 3.79Å; H511-Y515 AromaticContact CD2-CE2 3.79Å; H511-Y515 AromaticContact NE2-CE2 3.6Å; H511-Y515 PolarHBondContact O-N 3.49Å; L513-Y515 VanDerWaalsContact C-N 3.26Å; L513-Y515 PolarHBondContact O-N 3.14Å; Y515-F522 HydrophobicContact CD1-CE2 4.09Å; Y515-F522 HydrophobicContact CD2-CE2 4.38Å; Y515-F522 AromaticContact CE1-CE2 3.92Å; Y515-F522 HydrophobicContact CE1-CE2 3.92Å; Y515-F522 HydrophobicContact CE1-CZ 4.05Å; Y515-F522 HydrophobicContact CE2-CE2 4.27Å; Y515-F522 HydrophobicContact CG-CE2 4.33Å; Y515-I588 VanDerWaalsContact CE2-O 3.23Å; Y515-I588 WeakPolarHBondContact CE2-O 3.21Å; Y515-F589 PolarHBondContact OH-O 3.29Å; Y515-N591 WeakPolarHBondContact CE2-O 3.36Å; Y515-N591 PolarHBondContact OH-O 3.33Å; Y515-K592 HydrophobicContact CE1-CG 4.48Å; Y515-P593 HydrophobicContact CD2-CG 3.43Å; Y515-P593 VanDerWaalsContact CD2-CG 3.43Å; Y515-P593 HydrophobicContact CE2-CG 4.12Å; Y515-P593 HydrophobicContact CG-CG 3.85Å
516K94.2Very high95.3Very high104 Ų10438.1 Ų38.145%0.45219%0.186SC..THydrogen-bonded Turntrans-97.3-9.3168.3-65.7175.1-160.9165.90113.2Y490 K512 L513 V514Y490-K516 HydrophobicContact CE1-CB 4.18Å; Y490-K516 HydrophobicContact CE1-CD 4.32Å; Y490-K516 HydrophobicContact CE2-CB 4.2Å; Y490-K516 VanDerWaalsContact CE2-O 3.24Å; Y490-K516 WeakPolarHBondContact CE2-O 3.39Å; Y490-K516 PolarHBondContact OH-O 3.11Å; K512-K516 WeakPolarHBondContact O-CG 3.44Å; L513-K516 HydrophobicContact CD2-CD 4.2Å; L513-K516 WeakPolarHBondContact O-CB 3.48Å; L513-K516 PolarHBondContact O-N 3.23Å; V514-K516 PolarHBondContact O-N 3.31Å
517L94.2Very high95.4Very high12 Ų1239 Ų396%0.06319%0.191CC..SBendtrans-62147.7177.1-70170.6000110.9M486 T487 Y490 F494 L513 V514 N521 F522 L525M486-L517 WeakPolarHBondContact O-CD2 3.45Å; T487-L517 HydrophobicContact CG2-CD2 4.08Å; Y490-L517 HydrophobicContact CD2-CD2 4.1Å; F494-L517 HydrophobicContact CE2-CD2 4.17Å; F494-L517 HydrophobicContact CZ-CD1 4.4Å; F494-L517 HydrophobicContact CZ-CD2 4.48Å; F494-L517 HydrophobicContact CZ-CG 4.43Å; L513-L517 PolarHBondContact O-N 3.13Å; V514-L517 WeakPolarHBondContact O-CB 3.38Å; V514-L517 WeakPolarHBondContact O-CG 3.42Å; V514-L517 PolarHBondContact O-N 3Å; L517-N521 HydrophobicContact CB-CB 4.21Å; L517-F522 HydrophobicContact CB-CB 4.42Å; L517-L525 HydrophobicContact CD1-CD2 3.63Å
518P94Very high95.6Very high57 Ų5739.1 Ų39.137%0.3719%0.192SC..  trans-55.8146.7170-21.831.8000111.3T487 P520 N521 F522T487-P518 HydrophobicContact CG2-CG 4.35Å; P518-P520 VanDerWaalsContact C-CD 3.48Å; P518-N521 HydrophobicContact CB-CB 4.48Å; P518-N521 WeakPolarHBondContact O-CA 3.35Å; P518-N521 WeakPolarHBondContact O-CB 3.33Å; P518-N521 PolarHBondContact O-N 3.18Å; P518-F522 PolarHBondContact O-N 3.18Å
519Q93Very high95.8Very high118 Ų11835.9 Ų35.955%0.55118%0.175SC*.Hα-helixtrans-51.7-42.7-173-174.864.725.300114.5F522 Q523Q519-F522 PolarHBondContact O-N 2.96Å; Q519-Q523 VanDerWaalsContact NE2-CD 3.33Å; Q519-Q523 VanDerWaalsContact NE2-NE2 3.14Å; Q519-Q523 WeakPolarHBondContact O-CG 3.25Å; Q519-Q523 PolarHBondContact O-N 2.93Å; Q519-Q523 PolarHBondContact O-OE1 3.04Å
520P94.2Very high95.9Very high53 Ų5334.5 Ų34.534%0.34417%0.171SC..Hα-helixtrans-65.1-40.8175.5-2134.4000112.6L404 F409 P518 Q523 M524L404-P520 HydrophobicContact CB-CB 4.28Å; L404-P520 HydrophobicContact CD1-CB 4.44Å; F409-P520 HydrophobicContact CE2-CB 4.17Å; F409-P520 HydrophobicContact CZ-CB 4.29Å; F409-P520 WeakPolarHBondContact CZ-O 3.5Å; P518-P520 VanDerWaalsContact C-CD 3.48Å; P520-Q523 PolarHBondContact O-N 2.87Å; P520-M524 WeakPolarHBondContact O-CB 3.3Å; P520-M524 PolarHBondContact O-N 3.48Å
521N95.3Very high96Very high19 Ų1934.6 Ų34.610%0.10217%0.172CC..Hα-helixtrans-61.9-44.9176.9-63.969.5000111.2L404 L485 L517 P518 L525L404-N521 HydrophobicContact CD1-CB 4.32Å; L485-N521 HydrophobicContact CD1-CB 4.37Å; L485-N521 WeakPolarHBondContact O-CB 3.38Å; L485-N521 PolarHBondContact O-ND2 3.41Å; L517-N521 HydrophobicContact CB-CB 4.21Å; P518-N521 HydrophobicContact CB-CB 4.48Å; P518-N521 WeakPolarHBondContact O-CA 3.35Å; P518-N521 WeakPolarHBondContact O-CB 3.33Å; P518-N521 PolarHBondContact O-N 3.18Å; N521-L525 WeakPolarHBondContact O-CB 3.42Å; N521-L525 PolarHBondContact O-N 3.32Å
522F96.3Very high96Very high27 Ų2734.1 Ų34.112%0.11817%0.17CC..Hα-helixtrans-59.8-48.2174.9178-82.8000111.7V514 Y515 L517 P518 Q519 L525 D526 F589V514-F522 HydrophobicContact CG1-CD2 3.79Å; V514-F522 HydrophobicContact CG1-CE2 3.73Å; Y515-F522 HydrophobicContact CD1-CE2 4.09Å; Y515-F522 HydrophobicContact CD2-CE2 4.38Å; Y515-F522 AromaticContact CE1-CE2 3.92Å; Y515-F522 HydrophobicContact CE1-CE2 3.92Å; Y515-F522 HydrophobicContact CE1-CZ 4.05Å; Y515-F522 HydrophobicContact CE2-CE2 4.27Å; Y515-F522 HydrophobicContact CG-CE2 4.33Å; L517-F522 HydrophobicContact CB-CB 4.42Å; P518-F522 PolarHBondContact O-N 3.18Å; Q519-F522 PolarHBondContact O-N 2.96Å; F522-L525 PolarHBondContact O-N 3.49Å; F522-D526 PolarHBondContact O-N 2.97Å; F522-F589 HydrophobicContact CE2-CD1 4.25Å; F522-F589 HydrophobicContact CZ-CD1 4.16Å
523Q96.1Very high96.1Very high91 Ų9132.7 Ų32.743%0.42516%0.164SC..Hα-helixtrans-66.8-39.5-176.4-73.8171.3-40.700113.1F409 Q519 P520 M527F409-Q523 HydrophobicContact CE1-CB 3.94Å; F409-Q523 HydrophobicContact CZ-CB 4.05Å; Q519-Q523 VanDerWaalsContact NE2-CD 3.33Å; Q519-Q523 VanDerWaalsContact NE2-NE2 3.14Å; Q519-Q523 WeakPolarHBondContact O-CG 3.25Å; Q519-Q523 PolarHBondContact O-N 2.93Å; Q519-Q523 PolarHBondContact O-OE1 3.04Å; P520-Q523 PolarHBondContact O-N 2.87Å; Q523-M527 PolarHBondContact O-N 2.73Å
524M97.2Very high96.2Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-69.4-36.1174.2178.970.672.600111L404 F409 I412 Y477 L478 L485 P520 V528L404-M524 HydrophobicContact CD2-CB 4.28Å; L404-M524 HydrophobicContact CD2-CE 3.94Å; L404-M524 HydrophobicContact CD2-CG 3.99Å; F409-M524 HydrophobicContact CB-CE 4.45Å; F409-M524 HydrophobicContact CD1-CE 3.81Å; F409-M524 HydrophobicContact CD2-CE 4.09Å; F409-M524 HydrophobicContact CE1-CB 3.84Å; F409-M524 HydrophobicContact CE1-CE 4.05Å; F409-M524 HydrophobicContact CE2-CE 4.3Å; F409-M524 HydrophobicContact CG-CE 3.84Å; F409-M524 HydrophobicContact CZ-CB 3.91Å; F409-M524 HydrophobicContact CZ-CE 4.29Å; I412-M524 HydrophobicContact CB-CE 4.41Å; I412-M524 HydrophobicContact CB-SD 3.98Å; I412-M524 HydrophobicContact CG1-CE 4.2Å; I412-M524 HydrophobicContact CG1-SD 3.96Å; I412-M524 HydrophobicContact CG2-SD 3.82Å; Y477-M524 HydrophobicContact CE1-CE 4.1Å; L478-M524 HydrophobicContact CD2-CG 4.2Å; L478-M524 HydrophobicContact CD2-SD 4.29Å; L485-M524 HydrophobicContact CD1-CB 3.81Å; L485-M524 HydrophobicContact CD1-CG 3.71Å; L485-M524 HydrophobicContact CD2-CG 4Å; P520-M524 WeakPolarHBondContact O-CB 3.3Å; P520-M524 PolarHBondContact O-N 3.48Å; M524-V528 WeakPolarHBondContact O-CG2 3.27Å; M524-V528 PolarHBondContact O-N 3.43Å; M524-V528 VanDerWaalsContact O-N 3.09Å
525L97Very high96.3Very high0 Ų034.5 Ų34.50%017%0.174CC..Hα-helixtrans-68.6-43.7176.6-171.768.6000112.3L485 M486 V514 L517 N521 F522 M527 V528 I529 L557 L581 F589L485-L525 HydrophobicContact CD2-CB 4.04Å; L485-L525 HydrophobicContact CD2-CD1 3.82Å; L485-L525 HydrophobicContact CG-CB 4.33Å; L485-L525 HydrophobicContact CG-CD1 4.34Å; M486-L525 HydrophobicContact CG-CD1 4.17Å; M486-L525 HydrophobicContact CG-CD2 4.16Å; M486-L525 HydrophobicContact SD-CD1 4.27Å; M486-L525 HydrophobicContact SD-CD2 4.45Å; V514-L525 HydrophobicContact CG2-CD2 4.32Å; L517-L525 HydrophobicContact CD1-CD2 3.63Å; N521-L525 WeakPolarHBondContact O-CB 3.42Å; N521-L525 PolarHBondContact O-N 3.32Å; F522-L525 PolarHBondContact O-N 3.49Å; L525-M527 VanDerWaalsContact C-N 3.31Å; L525-M527 PolarHBondContact O-N 3.49Å; L525-V528 PolarHBondContact O-N 3.29Å; L525-I529 HydrophobicContact CD1-CD1 4.25Å; L525-I529 HydrophobicContact CD1-CG1 3.86Å; L525-I529 HydrophobicContact CG-CG1 4.04Å; L525-I529 WeakPolarHBondContact O-CB 3.28Å; L525-I529 VanDerWaalsContact O-CG1 3.3Å; L525-I529 WeakPolarHBondContact O-CG1 3.28Å; L525-I529 PolarHBondContact O-N 3.19Å; L525-L557 HydrophobicContact CD1-CD1 4.21Å; L525-L581 HydrophobicContact CD1-CD1 4.34Å; L525-L581 HydrophobicContact CD2-CD1 4.34Å; L525-F589 HydrophobicContact CB-CE1 4.4Å; L525-F589 HydrophobicContact CD2-CE1 4.15Å; L525-F589 HydrophobicContact CD2-CZ 3.97Å; L525-F589 HydrophobicContact CG-CE1 4.06Å; L525-F589 HydrophobicContact CG-CZ 3.91Å
526D97.5Very high96.3Very high39 Ų3931.4 Ų31.421%0.20916%0.164CC..Hα-helixtrans-55.7-46.5174.8-173.836.5000111.2F522 C530 Y585 F589 K590F522-D526 PolarHBondContact O-N 2.97Å; D526-C530 VanDerWaalsContact O-CB 3.29Å; D526-C530 WeakPolarHBondContact O-CB 3.4Å; D526-C530 PolarHBondContact O-N 2.82Å; D526-Y585 WeakPolarHBondContact OD1-CE2 3.02Å; D526-F589 HydrophobicContact CB-CD1 3.69Å; D526-F589 HydrophobicContact CB-CE1 4.14Å; D526-F589 HydrophobicContact CB-CG 4.49Å; D526-F589 VanDerWaalsContact OD1-CB 3.23Å; D526-F589 WeakPolarHBondContact OD1-CB 3.44Å; D526-F589 WeakPolarHBondContact OD1-CD1 3.42Å; D526-F589 WeakPolarHBondContact OD1-CG 3.27Å; D526-K590 VanDerWaalsContact CG-NZ 3.26Å; D526-K590 IonicContact OD1-NZ 2.81Å; D526-K590 PolarHBondContact OD1-NZ 2.73Å; D526-K590 IonicContact OD2-NZ 3.45Å; D526-K590 PolarHBondContact OD2-NZ 2.95Å
527M97.2Very high96.4Very high30 Ų3033 Ų3315%0.14817%0.168CC..Hα-helixtrans-62.6-45.5178.2-163.4-170.1-50.900112.5F409 I412 R413 I416 Q523 L525 H531F409-M527 HydrophobicContact CD1-CE 3.97Å; F409-M527 HydrophobicContact CE1-CE 4.48Å; I412-M527 HydrophobicContact CG2-SD 4.23Å; R413-M527 HydrophobicContact CB-CE 4.47Å; R413-M527 HydrophobicContact CB-SD 3.95Å; R413-M527 HydrophobicContact CG-SD 4.4Å; I416-M527 HydrophobicContact CD1-CG 3.8Å; I416-M527 HydrophobicContact CD1-SD 4.06Å; Q523-M527 PolarHBondContact O-N 2.73Å; L525-M527 VanDerWaalsContact C-N 3.31Å; L525-M527 PolarHBondContact O-N 3.49Å; M527-H531 PolarHBondContact O-N 3.16Å
528V97.5Very high96.4Very high2 Ų236 Ų361%0.01218%0.18CC..Hα-helixtrans-70.1-44.5-179.4171.80000111.5I412 L478 M524 L525 H531 L532 F553 L557I412-V528 HydrophobicContact CG2-CG2 4.24Å; L478-V528 HydrophobicContact CD1-CG1 4.2Å; L478-V528 HydrophobicContact CD1-CG2 3.86Å; L478-V528 HydrophobicContact CD2-CG2 4.5Å; M524-V528 WeakPolarHBondContact O-CG2 3.27Å; M524-V528 PolarHBondContact O-N 3.43Å; M524-V528 VanDerWaalsContact O-N 3.09Å; L525-V528 PolarHBondContact O-N 3.29Å; V528-H531 PolarHBondContact O-N 3.12Å; V528-L532 HydrophobicContact CG1-CD1 4.12Å; V528-L532 HydrophobicContact CG1-CG 4.41Å; V528-L532 WeakPolarHBondContact O-CG 3.27Å; V528-L532 PolarHBondContact O-N 3.44Å; V528-F553 HydrophobicContact CG1-CE1 4.44Å; V528-L557 HydrophobicContact CG1-CD1 4.5Å
529I98Very high96.4Very high0 Ų038.8 Ų38.80%018%0.184CC..Hα-helixtrans-68.9-35.2-179.6-61.7-61.1000111.6L525 H531 L532 T533 L581 I582 Y585 F589L525-I529 HydrophobicContact CD1-CD1 4.25Å; L525-I529 HydrophobicContact CD1-CG1 3.86Å; L525-I529 HydrophobicContact CG-CG1 4.04Å; L525-I529 WeakPolarHBondContact O-CB 3.28Å; L525-I529 VanDerWaalsContact O-CG1 3.3Å; L525-I529 WeakPolarHBondContact O-CG1 3.28Å; L525-I529 PolarHBondContact O-N 3.19Å; I529-H531 PolarHBondContact O-N 3.45Å; I529-L532 HydrophobicContact CD1-CD1 4.49Å; I529-L532 PolarHBondContact O-N 3.13Å; I529-T533 PolarHBondContact O-N 2.54Å; I529-T533 PolarHBondContact O-OG1 3.03Å; I529-L581 HydrophobicContact CD1-CB 3.85Å; I529-L581 HydrophobicContact CD1-CD1 3.91Å; I529-L581 HydrophobicContact CG1-CB 4.13Å; I529-L581 HydrophobicContact CG1-CD1 4.18Å; I529-L581 HydrophobicContact CG2-CB 4.03Å; I529-L581 VanDerWaalsContact CG2-O 3.27Å; I529-L581 WeakPolarHBondContact CG2-O 3.48Å; I529-I582 HydrophobicContact CD1-CG1 4.45Å; I529-I582 HydrophobicContact CG2-CG1 4.3Å; I529-Y585 HydrophobicContact CB-CD2 4.45Å; I529-Y585 HydrophobicContact CG2-CD2 3.89Å; I529-Y585 HydrophobicContact CG2-CG 4.49Å; I529-F589 HydrophobicContact CB-CE2 4.06Å; I529-F589 HydrophobicContact CB-CZ 4.2Å; I529-F589 HydrophobicContact CG1-CE2 4.24Å; I529-F589 HydrophobicContact CG1-CZ 4.02Å; I529-F589 HydrophobicContact CG2-CD2 4.46Å; I529-F589 HydrophobicContact CG2-CE2 3.84Å; I529-F589 HydrophobicContact CG2-CZ 4.45Å
530C97.8Very high96.5Very high34 Ų3439.7 Ų39.723%0.2319%0.188CC..Hα-helixtrans-54-54.6169.9-170.40000110.7D526 L532 T533 D534 Y585D526-C530 VanDerWaalsContact O-CB 3.29Å; D526-C530 WeakPolarHBondContact O-CB 3.4Å; D526-C530 PolarHBondContact O-N 2.82Å; C530-L532 VanDerWaalsContact C-N 3.33Å; C530-L532 PolarHBondContact O-N 3.36Å; C530-T533 WeakPolarHBondContact O-CA 3.29Å; C530-T533 VanDerWaalsContact O-CB 3.27Å; C530-T533 WeakPolarHBondContact O-CB 3.31Å; C530-T533 PolarHBondContact O-N 3.28Å; C530-D534 PolarHBondContact O-N 3.3Å; C530-D534 VanDerWaalsContact O-N 3.07Å; C530-Y585 HydrophobicContact CB-CE1 4.28Å; C530-Y585 HydrophobicContact CB-CE2 3.72Å; C530-Y585 VanDerWaalsContact CB-CZ 3.49Å; C530-Y585 WeakPolarHBondContact CB-OH 3.5Å; C530-Y585 VanDerWaalsContact SG-CZ 3.59Å; C530-Y585 PolarHBondContact SG-OH 2.75Å
531H97.8Very high96.5Very high3 Ų342.6 Ų42.61%0.01420%0.195CC..Hα-helixtrans-58.9-42.9-179.2179.767.9000112.5I416 E420 Y430 M527 V528 I529 T533 D534 V535I416-H531 HydrophobicContact CD1-CB 4.03Å; I416-H531 HydrophobicContact CG1-CB 4.12Å; I416-H531 HydrophobicContact CG2-CB 4.06Å; E420-H531 WeakPolarHBondContact CG-ND1 3.4Å; E420-H531 IonicContact OE1-CE1 3.6Å; E420-H531 IonicContact OE1-CG 2.71Å; E420-H531 IonicContact OE1-ND1 2.89Å; E420-H531 PolarHBondContact OE1-ND1 2.79Å; Y430-H531 AromaticContact CE2-CD2 3.92Å; Y430-H531 AromaticContact CE2-NE2 3.53Å; Y430-H531 AromaticContact CZ-CD2 3.88Å; Y430-H531 AromaticContact CZ-NE2 3.6Å; Y430-H531 PolarHBondContact OH-CD2 3.26Å; Y430-H531 PolarHBondContact OH-NE2 3.3Å; M527-H531 PolarHBondContact O-N 3.16Å; V528-H531 PolarHBondContact O-N 3.12Å; I529-H531 PolarHBondContact O-N 3.45Å; H531-T533 PolarHBondContact O-N 2.98Å; H531-D534 PolarHBondContact O-N 3.38Å; H531-D534 VanDerWaalsContact O-N 3.15Å; H531-V535 WeakPolarHBondContact O-CG2 3.33Å; H531-V535 PolarHBondContact O-N 2.96Å
532L97.8Very high96.4Very high0 Ų041.7 Ų41.70%019%0.191CC..Hα-helixtrans-66.6-25.9176.6-64.2-177.9000113.1Y430 V528 I529 C530 S536 L549 F553 I582Y430-L532 HydrophobicContact CD2-CD2 4.26Å; Y430-L532 HydrophobicContact CE2-CD2 4.05Å; V528-L532 HydrophobicContact CG1-CD1 4.12Å; V528-L532 HydrophobicContact CG1-CG 4.41Å; V528-L532 WeakPolarHBondContact O-CG 3.27Å; V528-L532 PolarHBondContact O-N 3.44Å; I529-L532 HydrophobicContact CD1-CD1 4.49Å; I529-L532 PolarHBondContact O-N 3.13Å; C530-L532 VanDerWaalsContact C-N 3.33Å; C530-L532 PolarHBondContact O-N 3.36Å; L532-S536 WeakPolarHBondContact O-CB 3.26Å; L532-S536 PolarHBondContact O-N 3.07Å; L532-S536 PolarHBondContact O-OG 3.43Å; L532-L549 HydrophobicContact CB-CD1 4.32Å; L532-L549 HydrophobicContact CD2-CD2 4.27Å; L532-L549 VanDerWaalsContact O-CD1 3.31Å; L532-L549 WeakPolarHBondContact O-CD1 3.38Å; L532-F553 HydrophobicContact CD1-CB 4.22Å; L532-F553 HydrophobicContact CD1-CD1 3.94Å; L532-F553 HydrophobicContact CD1-CD2 3.7Å; L532-F553 HydrophobicContact CD1-CE1 4.2Å; L532-F553 HydrophobicContact CD1-CE2 3.99Å; L532-F553 HydrophobicContact CD1-CG 3.67Å; L532-F553 HydrophobicContact CD1-CZ 4.22Å; L532-F553 HydrophobicContact CD2-CD2 3.97Å; L532-F553 HydrophobicContact CD2-CE1 4.47Å; L532-F553 HydrophobicContact CD2-CE2 3.47Å; L532-F553 VanDerWaalsContact CD2-CE2 3.47Å; L532-F553 HydrophobicContact CD2-CZ 3.75Å; L532-F553 HydrophobicContact CG-CE2 4.38Å; L532-I582 HydrophobicContact CB-CD1 3.84Å; L532-I582 HydrophobicContact CB-CG1 4.07Å; L532-I582 HydrophobicContact CD1-CD1 4.28Å
533T97.5Very high96.3Very high10 Ų1045.7 Ų45.76%0.06121%0.208CC..Hα-helixtrans-71.5-38.2171.8-50.30000111.1I529 C530 H531 S536 R537 Y585I529-T533 PolarHBondContact O-N 2.54Å; I529-T533 PolarHBondContact O-OG1 3.03Å; C530-T533 WeakPolarHBondContact O-CA 3.29Å; C530-T533 VanDerWaalsContact O-CB 3.27Å; C530-T533 WeakPolarHBondContact O-CB 3.31Å; C530-T533 PolarHBondContact O-N 3.28Å; H531-T533 PolarHBondContact O-N 2.98Å; T533-S536 PolarHBondContact O-N 3.48Å; T533-S536 PolarHBondContact O-OG 3.36Å; T533-R537 WeakPolarHBondContact O-CB 3.21Å; T533-R537 WeakPolarHBondContact O-CD 3.3Å; T533-R537 WeakPolarHBondContact O-CG 3.24Å; T533-R537 PolarHBondContact O-N 2.89Å; T533-Y585 HydrophobicContact CG2-CD1 4.48Å
534D97.1Very high96.1Very high44 Ų4441.3 Ų41.324%0.23519%0.187CC..Hα-helixtrans-75.1-25.5174.8-72.8-54.7000113.9L424 C530 H531 R537L424-D534 HydrophobicContact CD1-CB 4.43Å; C530-D534 PolarHBondContact O-N 3.3Å; C530-D534 VanDerWaalsContact O-N 3.07Å; H531-D534 PolarHBondContact O-N 3.38Å; H531-D534 VanDerWaalsContact O-N 3.15Å; D534-R537 WeakPolarHBondContact OD1-CD 3.49Å; D534-R537 IonicContact OD1-CZ 2.66Å; D534-R537 IonicContact OD1-NE 3.91Å; D534-R537 IonicContact OD1-NH1 3.91Å; D534-R537 PolarHBondContact OD1-NH1 3.12Å; D534-R537 IonicContact OD2-NH1 3.44Å
535V97.1Very high95.9Very high0 Ų043.1 Ų43.10%020%0.2CC..Hα-helixtrans-68.8-47.3165.8176.20000111.1L424 I429 Y430 H531 R537 K538 N542 M544 L549L424-V535 HydrophobicContact CD2-CG2 3.63Å; I429-V535 HydrophobicContact CG2-CG1 3.81Å; Y430-V535 HydrophobicContact CE2-CG2 4.11Å; H531-V535 WeakPolarHBondContact O-CG2 3.33Å; H531-V535 PolarHBondContact O-N 2.96Å; V535-R537 VanDerWaalsContact C-N 3.32Å; V535-R537 PolarHBondContact O-N 3.27Å; V535-K538 PolarHBondContact O-N 3.25Å; V535-N542 PolarHBondContact O-ND2 3.16Å; V535-M544 HydrophobicContact CG1-CB 4.27Å; V535-L549 HydrophobicContact CB-CD1 4.19Å; V535-L549 HydrophobicContact CG1-CD1 4Å; V535-L549 HydrophobicContact CG1-CD2 4.07Å
536S96.5Very high95.9Very high16 Ų1644.2 Ų44.211%0.11221%0.206CC..Hα-helixtrans-66.7-33.5-177.973.70000112.6L532 T533 K538 Y539L532-S536 WeakPolarHBondContact O-CB 3.26Å; L532-S536 PolarHBondContact O-N 3.07Å; L532-S536 PolarHBondContact O-OG 3.43Å; T533-S536 PolarHBondContact O-N 3.48Å; T533-S536 PolarHBondContact O-OG 3.36Å; S536-K538 PolarHBondContact O-N 3.45Å; S536-Y539 WeakPolarHBondContact O-CB 3.47Å; S536-Y539 WeakPolarHBondContact O-CD1 3.16Å; S536-Y539 PolarHBondContact O-N 3.47Å
537R96.3Very high95.6Very high139 Ų13945.7 Ų45.753%0.52521%0.211SC..THydrogen-bonded Turntrans-55.8-17.3170.1-76.3164.9-178.9164.42113.9T533 D534 V535 E586T533-R537 WeakPolarHBondContact O-CB 3.21Å; T533-R537 WeakPolarHBondContact O-CD 3.3Å; T533-R537 WeakPolarHBondContact O-CG 3.24Å; T533-R537 PolarHBondContact O-N 2.89Å; D534-R537 WeakPolarHBondContact OD1-CD 3.49Å; D534-R537 IonicContact OD1-CZ 2.66Å; D534-R537 IonicContact OD1-NE 3.91Å; D534-R537 IonicContact OD1-NH1 3.91Å; D534-R537 PolarHBondContact OD1-NH1 3.12Å; D534-R537 IonicContact OD2-NH1 3.44Å; V535-R537 VanDerWaalsContact C-N 3.32Å; V535-R537 PolarHBondContact O-N 3.27Å; R537-E586 IonicContact NH2-OE1 3.99Å
538K94.2Very high95.3Very high73 Ų7346.5 Ų46.532%0.31722%0.216SC..THydrogen-bonded Turntrans-113.218.6176.8-60.2-153.8-174.5-171.70114.8L424 E425 V535 S536 E540 K541 N542L424-K538 HydrophobicContact CB-CD 3.83Å; L424-K538 WeakPolarHBondContact O-CB 3.16Å; E425-K538 HydrophobicContact CG-CD 3.55Å; E425-K538 IonicContact OE1-NZ 3.77Å; E425-K538 PolarHBondContact OE1-NZ 3.42Å; V535-K538 PolarHBondContact O-N 3.25Å; S536-K538 PolarHBondContact O-N 3.45Å; K538-E540 PolarHBondContact O-N 2.91Å; K538-K541 PolarHBondContact O-N 2.91Å; K538-N542 PolarHBondContact O-N 2.78Å; K538-N542 PolarHBondContact O-ND2 3.34Å
539Y93.6Very high95.2Very high117 Ų11746.4 Ų46.446%0.45922%0.216SC..Hα-helixtrans-53.9-28.9-175.784.6-74.6000114.7S536 K541 N542 K543 M544S536-Y539 WeakPolarHBondContact O-CB 3.47Å; S536-Y539 WeakPolarHBondContact O-CD1 3.16Å; S536-Y539 PolarHBondContact O-N 3.47Å; Y539-K541 VanDerWaalsContact C-N 3.26Å; Y539-K541 PolarHBondContact O-N 2.84Å; Y539-N542 WeakPolarHBondContact CA-OD1 3.28Å; Y539-K543 WeakPolarHBondContact O-CA 3.43Å; Y539-K543 PolarHBondContact O-N 3.17Å; Y539-M544 WeakPolarHBondContact CB-O 3.34Å
540E94.1Very high95Very high136 Ų13646.4 Ų46.464%0.63622%0.216SC*.Hα-helixtrans-59.8-35.7178.2-61.1177.8171.200112.6K538 K543K538-E540 PolarHBondContact O-N 2.91Å; E540-K543 WeakPolarHBondContact O-CE 3.37Å; E540-K543 PolarHBondContact O-NZ 2.85Å
541K94Very high94.6Very high115 Ų11547 Ų4750%0.522%0.218SC..Hα-helixtrans-90.5-57.1174.2-66.6-179.9179.1178.30111E425 K538 Y539 K543E425-K541 HydrophobicContact CB-CB 4.45Å; E425-K541 HydrophobicContact CB-CD 4.16Å; E425-K541 HydrophobicContact CG-CD 3.89Å; E425-K541 IonicContact OE1-NZ 3.79Å; E425-K541 PolarHBondContact OE1-NZ 2.95Å; E425-K541 WeakPolarHBondContact OE2-CD 3.43Å; E425-K541 WeakPolarHBondContact OE2-CE 2.93Å; E425-K541 IonicContact OE2-NZ 3.28Å; E425-K541 PolarHBondContact OE2-NZ 3.12Å; K538-K541 PolarHBondContact O-N 2.91Å; Y539-K541 VanDerWaalsContact C-N 3.26Å; Y539-K541 PolarHBondContact O-N 2.84Å; K541-K543 VanDerWaalsContact C-N 3.31Å; K541-K543 PolarHBondContact O-N 3.44Å
542N94.4Very high94.3Very high0 Ų048.4 Ų48.40%023%0.227CC..Hα-helixtrans-78.9-8.8-169.572.933.2000114.4L424 D426 G428 I429 V535 K538 Y539 M544L424-N542 WeakPolarHBondContact O-CB 3.43Å; L424-N542 PolarHBondContact O-ND2 2.87Å; D426-N542 WeakPolarHBondContact O-CB 3.43Å; G428-N542 PolarHBondContact N-O 3.03Å; I429-N542 HydrophobicContact CG2-CB 4.28Å; V535-N542 PolarHBondContact O-ND2 3.16Å; K538-N542 PolarHBondContact O-N 2.78Å; K538-N542 PolarHBondContact O-ND2 3.34Å; Y539-N542 WeakPolarHBondContact CA-OD1 3.28Å; N542-M544 PolarHBondContact O-N 3.12Å; N542-M544 WeakPolarHBondContact OD1-CA 3.34Å; N542-M544 WeakPolarHBondContact OD1-CB 3.24Å; N542-M544 PolarHBondContact OD1-N 2.96Å
543K93.1Very high94.2Very high110 Ų11048.4 Ų48.448%0.47823%0.227SC..  trans6023.5179.2-45.5-54.4-178.5-176.80115.1E427 R431 Y539 E540 K541 N548E427-K543 HydrophobicContact CG-CB 4.44Å; E427-K543 HydrophobicContact CG-CG 3.76Å; R431-K543 PolarHBondContact NH1-O 3.41Å; Y539-K543 WeakPolarHBondContact O-CA 3.43Å; Y539-K543 PolarHBondContact O-N 3.17Å; E540-K543 WeakPolarHBondContact O-CE 3.37Å; E540-K543 PolarHBondContact O-NZ 2.85Å; K541-K543 VanDerWaalsContact C-N 3.31Å; K541-K543 PolarHBondContact O-N 3.44Å; K543-N548 PolarHBondContact O-ND2 3.3Å
544M93.5Very high93.9Very high0 Ų047.9 Ų47.90%022%0.224CC..  trans-112.985175.6-62.1-58.9-66.600110.5I429 R431 V535 Y539 N542 N548 L549 V552I429-M544 HydrophobicContact CG2-CG 4.26Å; I429-M544 VanDerWaalsContact O-CG 3.28Å; I429-M544 WeakPolarHBondContact O-CG 3.11Å; R431-M544 HydrophobicContact CB-CE 3.88Å; R431-M544 HydrophobicContact CB-SD 3.64Å; V535-M544 HydrophobicContact CG1-CB 4.27Å; Y539-M544 WeakPolarHBondContact CB-O 3.34Å; N542-M544 PolarHBondContact O-N 3.12Å; N542-M544 WeakPolarHBondContact OD1-CA 3.34Å; N542-M544 WeakPolarHBondContact OD1-CB 3.24Å; N542-M544 PolarHBondContact OD1-N 2.96Å; M544-N548 HydrophobicContact CE-CB 3.76Å; M544-N548 HydrophobicContact SD-CB 4.06Å; M544-L549 HydrophobicContact CB-CD2 3.95Å; M544-L549 HydrophobicContact CB-CG 4.2Å; M544-L549 HydrophobicContact CE-CD2 3.76Å; M544-L549 HydrophobicContact CE-CG 4.43Å; M544-V552 HydrophobicContact CE-CG2 4.26Å
545S93.1Very high93.4Very high37 Ų3748 Ų4826%0.25923%0.226SC..  trans-63.1165.6167.460.90000111.1F547 N548 L549S545-F547 VanDerWaalsContact C-N 3.25Å; S545-F547 PolarHBondContact O-N 3.33Å; S545-N548 WeakPolarHBondContact O-CB 3.3Å; S545-N548 PolarHBondContact O-N 3.42Å; S545-N548 VanDerWaalsContact OG-CG 3.26Å; S545-N548 PolarHBondContact OG-N 3.38Å; S545-N548 PolarHBondContact OG-OD1 2.76Å; S545-L549 PolarHBondContact O-N 3.01Å
546V95.4Very high93Very high23 Ų2348.6 Ų48.614%0.13923%0.23CC..Hα-helixtrans-51.5-46.4174.5178.30000111.3N548 L549 G550 N579 I582 D583V546-N548 PolarHBondContact O-N 2.9Å; V546-L549 CarbonylContact O-C 3.49Å; V546-L549 PolarHBondContact O-N 3.33Å; V546-L549 VanDerWaalsContact O-N 3.12Å; V546-G550 PolarHBondContact O-N 2.9Å; V546-N579 HydrophobicContact CG1-CB 4Å; V546-N579 PolarHBondContact O-OD1 3.48Å; V546-N579 VanDerWaalsContact O-OD1 3.14Å; V546-I582 HydrophobicContact CB-CG2 4.45Å; V546-I582 HydrophobicContact CG1-CB 3.91Å; V546-I582 HydrophobicContact CG1-CD1 4.33Å; V546-I582 HydrophobicContact CG1-CG2 3.96Å; V546-I582 HydrophobicContact CG2-CG2 3.79Å; V546-D583 WeakPolarHBondContact CG2-OD1 3.38Å
547F90.8Very high92.9Very high71 Ų7147.8 Ų47.831%0.31123%0.225SC..Hα-helixtrans-55.8-45.4174.3178.4-101.4000113.3K242 S545 L549 G550 V551K242-F547 HydrophobicContact CG-CZ 4.4Å; S545-F547 VanDerWaalsContact C-N 3.25Å; S545-F547 PolarHBondContact O-N 3.33Å; F547-L549 VanDerWaalsContact C-N 3.29Å; F547-L549 PolarHBondContact O-N 3.43Å; F547-G550 PolarHBondContact O-N 3.2Å; F547-V551 HydrophobicContact CE1-CG2 4.18Å; F547-V551 HydrophobicContact CE2-CG2 4.39Å; F547-V551 HydrophobicContact CZ-CG2 4.06Å; F547-V551 WeakPolarHBondContact O-CG2 3.35Å; F547-V551 PolarHBondContact O-N 3.07Å
548N92.6Very high92.6Very high47 Ų4741.2 Ų41.225%0.25120%0.2SC..Hα-helixtrans-65.1-33.6178.6-67.6-3.3000111.9K543 M544 S545 V546 V552K543-N548 PolarHBondContact O-ND2 3.3Å; M544-N548 HydrophobicContact CE-CB 3.76Å; M544-N548 HydrophobicContact SD-CB 4.06Å; S545-N548 WeakPolarHBondContact O-CB 3.3Å; S545-N548 PolarHBondContact O-N 3.42Å; S545-N548 VanDerWaalsContact OG-CG 3.26Å; S545-N548 PolarHBondContact OG-N 3.38Å; S545-N548 PolarHBondContact OG-OD1 2.76Å; V546-N548 PolarHBondContact O-N 2.9Å; N548-V552 WeakPolarHBondContact O-CG2 3.31Å; N548-V552 PolarHBondContact O-N 2.87Å
549L95.4Very high92.2Very high0 Ų039.3 Ų39.30%019%0.191CC..Hα-helixtrans-73-39173.4-63.1173.7000111.3Y430 L532 V535 M544 S545 V546 F547 V551 V552 F553 I582Y430-L549 HydrophobicContact CD2-CD2 4.45Å; L532-L549 HydrophobicContact CB-CD1 4.32Å; L532-L549 HydrophobicContact CD2-CD2 4.27Å; L532-L549 VanDerWaalsContact O-CD1 3.31Å; L532-L549 WeakPolarHBondContact O-CD1 3.38Å; V535-L549 HydrophobicContact CB-CD1 4.19Å; V535-L549 HydrophobicContact CG1-CD1 4Å; V535-L549 HydrophobicContact CG1-CD2 4.07Å; M544-L549 HydrophobicContact CB-CD2 3.95Å; M544-L549 HydrophobicContact CB-CG 4.2Å; M544-L549 HydrophobicContact CE-CD2 3.76Å; M544-L549 HydrophobicContact CE-CG 4.43Å; S545-L549 PolarHBondContact O-N 3.01Å; V546-L549 CarbonylContact O-C 3.49Å; V546-L549 PolarHBondContact O-N 3.33Å; V546-L549 VanDerWaalsContact O-N 3.12Å; F547-L549 VanDerWaalsContact C-N 3.29Å; F547-L549 PolarHBondContact O-N 3.43Å; L549-V551 PolarHBondContact O-N 3.09Å; L549-V552 PolarHBondContact O-N 3.28Å; L549-V552 VanDerWaalsContact O-N 3.14Å; L549-F553 WeakPolarHBondContact O-CB 3.36Å; L549-F553 PolarHBondContact O-N 3.4Å; L549-I582 HydrophobicContact CB-CD1 4.02Å; L549-I582 HydrophobicContact CD1-CD1 4.4Å
550G92.9Very high91.5Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-57-45.1174.700000112.9V546 F547 V552 F553 G554 N575 N579V546-G550 PolarHBondContact O-N 2.9Å; F547-G550 PolarHBondContact O-N 3.2Å; G550-V552 VanDerWaalsContact C-N 3.34Å; G550-V552 PolarHBondContact O-N 2.93Å; G550-F553 PolarHBondContact O-N 3.31Å; G550-G554 WeakPolarHBondContact O-CA 3.15Å; G550-G554 PolarHBondContact O-N 3.24Å; G550-N575 PolarHBondContact O-OD1 3.01Å; G550-N579 WeakPolarHBondContact CA-OD1 3.27Å
551V89.4Confident90.8Very high47 Ų4739 Ų3929%0.28519%0.189SC..Hα-helixtrans-61.5-38.6174.7173.90000112.4F547 L549 P555F547-V551 HydrophobicContact CE1-CG2 4.18Å; F547-V551 HydrophobicContact CE2-CG2 4.39Å; F547-V551 HydrophobicContact CZ-CG2 4.06Å; F547-V551 WeakPolarHBondContact O-CG2 3.35Å; F547-V551 PolarHBondContact O-N 3.07Å; L549-V551 PolarHBondContact O-N 3.09Å; V551-P555 VanDerWaalsContact O-CD 3.26Å; V551-P555 WeakPolarHBondContact O-CD 3.23Å
552V91.4Very high89.5Confident31 Ų3140.4 Ų40.419%0.18820%0.197CC..Hα-helixtrans-77.3-38.1-179.4173.70000112.4K475 M544 N548 L549 G550 T556K475-V552 HydrophobicContact CD-CG1 3.56Å; M544-V552 HydrophobicContact CE-CG2 4.26Å; N548-V552 WeakPolarHBondContact O-CG2 3.31Å; N548-V552 PolarHBondContact O-N 2.87Å; L549-V552 PolarHBondContact O-N 3.28Å; L549-V552 VanDerWaalsContact O-N 3.14Å; G550-V552 VanDerWaalsContact C-N 3.34Å; G550-V552 PolarHBondContact O-N 2.93Å; V552-T556 PolarHBondContact O-OG1 2.84Å
553F94.9Very high88.3Confident0 Ų045.5 Ų45.50%022%0.221CC..Hα-helixtrans-97.7-22.2-172.6-80.1-89.3000114.5Y430 L474 K475 L478 V528 L532 L549 G550 T556 L557 I578Y430-F553 AromaticContact CD1-CE2 3.84Å; Y430-F553 HydrophobicContact CD1-CE2 3.84Å; Y430-F553 AromaticContact CD1-CZ 3.59Å; Y430-F553 HydrophobicContact CD1-CZ 3.59Å; Y430-F553 HydrophobicContact CD2-CE2 4.21Å; Y430-F553 HydrophobicContact CD2-CZ 4.48Å; Y430-F553 HydrophobicContact CE1-CE2 4.36Å; Y430-F553 AromaticContact CE1-CZ 3.74Å; Y430-F553 HydrophobicContact CE1-CZ 3.74Å; Y430-F553 AromaticContact CG-CE2 3.76Å; Y430-F553 HydrophobicContact CG-CE2 3.76Å; Y430-F553 AromaticContact CG-CZ 3.99Å; Y430-F553 HydrophobicContact CG-CZ 3.99Å; L474-F553 HydrophobicContact CD2-CE1 4.17Å; L474-F553 HydrophobicContact CD2-CZ 4.31Å; K475-F553 HydrophobicContact CD-CE2 4.44Å; K475-F553 HydrophobicContact CD-CZ 4.21Å; K475-F553 HydrophobicContact CG-CE1 3.94Å; K475-F553 HydrophobicContact CG-CE2 4.41Å; K475-F553 HydrophobicContact CG-CZ 3.7Å; L478-F553 HydrophobicContact CD1-CE1 4.45Å; V528-F553 HydrophobicContact CG1-CE1 4.44Å; L532-F553 HydrophobicContact CD1-CB 4.22Å; L532-F553 HydrophobicContact CD1-CD1 3.94Å; L532-F553 HydrophobicContact CD1-CD2 3.7Å; L532-F553 HydrophobicContact CD1-CE1 4.2Å; L532-F553 HydrophobicContact CD1-CE2 3.99Å; L532-F553 HydrophobicContact CD1-CG 3.67Å; L532-F553 HydrophobicContact CD1-CZ 4.22Å; L532-F553 HydrophobicContact CD2-CD2 3.97Å; L532-F553 HydrophobicContact CD2-CE1 4.47Å; L532-F553 HydrophobicContact CD2-CE2 3.47Å; L532-F553 VanDerWaalsContact CD2-CE2 3.47Å; L532-F553 HydrophobicContact CD2-CZ 3.75Å; L532-F553 HydrophobicContact CG-CE2 4.38Å; L549-F553 WeakPolarHBondContact O-CB 3.36Å; L549-F553 PolarHBondContact O-N 3.4Å; G550-F553 PolarHBondContact O-N 3.31Å; F553-T556 HydrophobicContact CD1-CG2 4.46Å; F553-T556 CarbonylContact O-C 3.59Å; F553-T556 WeakPolarHBondContact O-CA 3.3Å; F553-T556 WeakPolarHBondContact O-CB 3.32Å; F553-T556 PolarHBondContact O-N 2.96Å; F553-L557 HydrophobicContact CB-CD1 4.25Å; F553-L557 HydrophobicContact CB-CG 4.42Å; F553-L557 HydrophobicContact CD1-CD1 4.21Å; F553-L557 HydrophobicContact CD1-CD2 4.49Å; F553-L557 HydrophobicContact CD1-CG 4.24Å; F553-L557 WeakPolarHBondContact O-CG 3.19Å; F553-L557 PolarHBondContact O-N 3.27Å; F553-I578 HydrophobicContact CB-CG2 4.06Å
554G91.5Very high87.3Confident0 Ų042.3 Ų42.30%021%0.213CC..Hα-helixtrans-53.3-59.4175.200000112.5G550 T556 L557 L558G550-G554 WeakPolarHBondContact O-CA 3.15Å; G550-G554 PolarHBondContact O-N 3.24Å; G554-T556 PolarHBondContact O-N 2.89Å; G554-L557 PolarHBondContact O-N 2.96Å; G554-L558 PolarHBondContact O-N 2.85Å
555P86.2Confident86.4Confident45 Ų4545.8 Ų45.829%0.29223%0.234SC..Hα-helixtrans-64.6-16.2174.3-20.733000114.4V551 R559 I571V551-P555 VanDerWaalsContact O-CD 3.26Å; V551-P555 WeakPolarHBondContact O-CD 3.23Å; P555-R559 WeakPolarHBondContact O-CG 3.46Å; P555-I571 HydrophobicContact CG-CG2 4Å
556T90.2Very high85.6Confident13 Ų1346.9 Ų46.98%0.0825%0.245CC..Hα-helixtrans-84-43.4179.1-60.40000111.3L478 R479 V552 F553 G554 R559L478-T556 HydrophobicContact CB-CG2 4Å; R479-T556 HydrophobicContact CB-CG2 4.24Å; V552-T556 PolarHBondContact O-OG1 2.84Å; F553-T556 HydrophobicContact CD1-CG2 4.46Å; F553-T556 CarbonylContact O-C 3.59Å; F553-T556 WeakPolarHBondContact O-CA 3.3Å; F553-T556 WeakPolarHBondContact O-CB 3.32Å; F553-T556 PolarHBondContact O-N 2.96Å; G554-T556 PolarHBondContact O-N 2.89Å; T556-R559 PolarHBondContact O-NH1 2.87Å
557L94.2Very high84.8Confident0 Ų046.7 Ų46.70%025%0.245CC..Hα-helixtrans-97.9-25.7-171.2-57.2-176.9000114L478 P484 L485 M486 L525 V528 F553 G554 I578L478-L557 HydrophobicContact CB-CD2 4.21Å; L478-L557 HydrophobicContact CD1-CD2 4.07Å; P484-L557 VanDerWaalsContact CB-O 3.3Å; P484-L557 WeakPolarHBondContact CB-O 3.31Å; L485-L557 HydrophobicContact CB-CD2 4.11Å; L485-L557 HydrophobicContact CD2-CD2 3.96Å; L485-L557 PolarHBondContact N-O 3.2Å; M486-L557 PolarHBondContact N-O 2.96Å; M486-L557 HydrophobicContact SD-CB 4.37Å; L525-L557 HydrophobicContact CD1-CD1 4.21Å; V528-L557 HydrophobicContact CG1-CD1 4.5Å; F553-L557 HydrophobicContact CB-CD1 4.25Å; F553-L557 HydrophobicContact CB-CG 4.42Å; F553-L557 HydrophobicContact CD1-CD1 4.21Å; F553-L557 HydrophobicContact CD1-CD2 4.49Å; F553-L557 HydrophobicContact CD1-CG 4.24Å; F553-L557 WeakPolarHBondContact O-CG 3.19Å; F553-L557 PolarHBondContact O-N 3.27Å; G554-L557 PolarHBondContact O-N 2.96Å; L557-I578 HydrophobicContact CB-CD1 4.25Å; L557-I578 HydrophobicContact CD1-CD1 3.92Å
558L89.9Confident84.1Confident0 Ų044.3 Ų44.30%024%0.236CC..SBendtrans-120.572.3178-74.9158.1000110.2M486 F494 G554 N574 V577 I578M486-L558 HydrophobicContact CB-CD2 3.58Å; M486-L558 HydrophobicContact CB-CG 4.07Å; M486-L558 HydrophobicContact CE-CD1 4.21Å; M486-L558 HydrophobicContact CE-CD2 4.24Å; M486-L558 HydrophobicContact CE-CG 4.37Å; M486-L558 HydrophobicContact CG-CD2 4.37Å; M486-L558 HydrophobicContact CG-CG 4.39Å; M486-L558 HydrophobicContact SD-CD1 3.88Å; M486-L558 HydrophobicContact SD-CD2 4.09Å; M486-L558 HydrophobicContact SD-CG 3.73Å; F494-L558 HydrophobicContact CB-CD2 4.04Å; F494-L558 HydrophobicContact CD2-CD2 4.06Å; F494-L558 HydrophobicContact CG-CD2 4.27Å; G554-L558 PolarHBondContact O-N 2.85Å; L558-N574 HydrophobicContact CB-CB 4.29Å; L558-N574 WeakPolarHBondContact CB-OD1 3.26Å; L558-N574 HydrophobicContact CD1-CB 4.39Å; L558-N574 PolarHBondContact O-ND2 3.26Å; L558-V577 HydrophobicContact CD1-CB 3.78Å; L558-V577 HydrophobicContact CD1-CG1 3.84Å; L558-V577 HydrophobicContact CD1-CG2 4.1Å; L558-I578 HydrophobicContact CD1-CD1 4.48Å
559R85.1Confident83.5Confident33 Ų3344.3 Ų44.313%0.12524%0.235CC..  trans-78.4127.2175.3-62.2-173.6-62.2-81.613.1109.8L478 R479 L481 E483 P484 Y488 H491 P555 T556L478-R559 PolarHBondContact O-NH1 3.38Å; R479-R559 PolarHBondContact O-NE 3.21Å; R479-R559 PolarHBondContact O-NH1 2.88Å; R479-R559 PolarHBondContact O-NH2 3.12Å; L481-R559 PolarHBondContact O-NH2 3.25Å; E483-R559 VanDerWaalsContact C-NH2 3.33Å; E483-R559 PolarHBondContact O-NH2 3.43Å; E483-R559 VanDerWaalsContact O-NH2 3.12Å; P484-R559 HydrophobicContact CB-CB 4.07Å; P484-R559 HydrophobicContact CB-CG 4.47Å; P484-R559 HydrophobicContact CG-CB 4.32Å; Y488-R559 WeakPolarHBondContact CD1-O 3.5Å; Y488-R559 VanDerWaalsContact CE1-O 3.28Å; Y488-R559 WeakPolarHBondContact CE1-O 3.47Å; H491-R559 PolarHBondContact CD2-O 2.92Å; H491-R559 VanDerWaalsContact CD2-O 3.27Å; P555-R559 WeakPolarHBondContact O-CG 3.46Å; T556-R559 PolarHBondContact O-NH1 2.87Å
560P80.2Confident83Confident45 Ų4545.5 Ų45.529%0.29224%0.242SC..  trans-69.1152174.328.6-34.6000111H491 A567H491-P560 VanDerWaalsContact NE2-CA 3.35Å; H491-P560 WeakPolarHBondContact NE2-CA 3.44Å; P560-A567 HydrophobicContact CB-CB 3.8Å; P560-A567 HydrophobicContact CG-CB 4.02Å
561R77.8Confident82.6Confident202 Ų20246.5 Ų46.576%0.76225%0.247SC*.SBendtrans-73.8-26.8-178.9-171.4176179.4171.22.7113.8Y488Y488-R561 HydrophobicContact CD1-CB 3.76Å; Y488-R561 HydrophobicContact CD1-CG 4.32Å; Y488-R561 HydrophobicContact CE1-CB 4.14Å; Y488-R561 HydrophobicContact CG-CB 4.2Å; Y488-R561 HydrophobicContact CG-CG 4.37Å
562E68.5Low82.4Confident145 Ų14545.4 Ų45.468%0.67824%0.238SC*.SBendtrans-130.6128.8-178.3-64.8-175.4-175.900110.5S564E562-S564 PolarHBondContact O-N 3.29Å; E562-S564 VanDerWaalsContact O-N 3.11Å
563E69Low82.3Confident107 Ų10744 Ų4450%0.523%0.23SC..  trans-70.2104.4171.7-65.2-168.7-17600109.8L257 K260L257-E563 HydrophobicContact CD1-CB 3.69Å; L257-E563 WeakPolarHBondContact CD1-OE2 3.32Å; K260-E563 VanDerWaalsContact CD-OE2 3.24Å; K260-E563 WeakPolarHBondContact CD-OE2 3.36Å; K260-E563 IonicContact NZ-OE1 2.86Å; K260-E563 PolarHBondContact NZ-OE1 3.43Å; K260-E563 IonicContact NZ-OE2 3.06Å; K260-E563 PolarHBondContact NZ-OE2 3.04Å
564S71.3Confident82.1Confident43 Ų4344.1 Ų44.130%0.30123%0.23SC..  trans-142.2160.2-179.669.40000111.5E562 A566 A567 I568E562-S564 PolarHBondContact O-N 3.29Å; E562-S564 VanDerWaalsContact O-N 3.11Å; S564-A566 VanDerWaalsContact C-N 3.3Å; S564-A566 PolarHBondContact O-N 3.37Å; S564-A567 PolarHBondContact O-N 2.81Å; S564-A567 VanDerWaalsContact OG-CB 3.31Å; S564-A567 WeakPolarHBondContact OG-CB 3.44Å; S564-A567 PolarHBondContact OG-N 2.93Å; S564-I568 WeakPolarHBondContact O-CG1 3.48Å; S564-I568 PolarHBondContact O-N 2.65Å
565V73.7Confident82.2Confident73 Ų7344.5 Ų44.544%0.44223%0.232SC..Hα-helixtrans-61.3-39.2178-179.50000111.4V254 L257 I568 L569V254-V565 HydrophobicContact CG2-CG1 4.19Å; V254-V565 HydrophobicContact CG2-CG2 4.44Å; L257-V565 HydrophobicContact CD2-CG2 4.29Å; V565-I568 PolarHBondContact O-N 3.06Å; V565-L569 HydrophobicContact CG1-CD1 4.18Å; V565-L569 WeakPolarHBondContact O-CG 3.34Å; V565-L569 PolarHBondContact O-N 3.06Å
566A76.5Confident82.5Confident60 Ų6043.8 Ų43.850%0.49623%0.226SC..Hα-helixtrans-61.4-45.2174.400000111.7S564 I568 L569 D570S564-A566 VanDerWaalsContact C-N 3.3Å; S564-A566 PolarHBondContact O-N 3.37Å; A566-I568 VanDerWaalsContact C-N 3.27Å; A566-I568 PolarHBondContact O-N 3.15Å; A566-L569 PolarHBondContact O-N 2.81Å; A566-D570 PolarHBondContact O-N 3.32Å
567A78.2Confident82.8Confident18 Ų1843.2 Ų43.215%0.14922%0.222CC..Hα-helixtrans-65.1-27.3176.300000113.5P560 S564 I571P560-A567 HydrophobicContact CB-CB 3.8Å; P560-A567 HydrophobicContact CG-CB 4.02Å; S564-A567 PolarHBondContact O-N 2.81Å; S564-A567 VanDerWaalsContact OG-CB 3.31Å; S564-A567 WeakPolarHBondContact OG-CB 3.44Å; S564-A567 PolarHBondContact OG-N 2.93Å; A567-I571 WeakPolarHBondContact O-CG1 3.27Å
568I77.8Confident82.9Confident22 Ų2243.2 Ų43.211%0.11322%0.222CC..Hα-helixtrans-73.2-44.8172.6-68164000111A250 K253 V254 L257 S564 V565 A566 D570 I571A250-I568 HydrophobicContact CB-CG2 4.22Å; K253-I568 HydrophobicContact CB-CD1 4.03Å; K253-I568 HydrophobicContact CB-CG1 4.21Å; K253-I568 HydrophobicContact CB-CG2 3.76Å; K253-I568 HydrophobicContact CD-CG2 4.15Å; V254-I568 HydrophobicContact CG2-CD1 3.94Å; V254-I568 HydrophobicContact CG2-CG2 4.13Å; L257-I568 HydrophobicContact CB-CD1 4.18Å; L257-I568 HydrophobicContact CD2-CD1 3.73Å; S564-I568 WeakPolarHBondContact O-CG1 3.48Å; S564-I568 PolarHBondContact O-N 2.65Å; V565-I568 PolarHBondContact O-N 3.06Å; A566-I568 VanDerWaalsContact C-N 3.27Å; A566-I568 PolarHBondContact O-N 3.15Å; I568-D570 VanDerWaalsContact C-N 3.28Å; I568-D570 PolarHBondContact O-N 2.86Å; I568-I571 WeakPolarHBondContact O-CB 3.35Å; I568-I571 WeakPolarHBondContact O-CG1 3.3Å; I568-I571 PolarHBondContact O-N 2.79Å
569L78.9Confident83.1Confident46 Ų4644.4 Ų44.424%0.24123%0.229CC..Hα-helixtrans-62.2-35.6177.7-70.1167.5000112.1I80 V565 A566 I571 K572I80-L569 HydrophobicContact CG2-CD1 3.87Å; V565-L569 HydrophobicContact CG1-CD1 4.18Å; V565-L569 WeakPolarHBondContact O-CG 3.34Å; V565-L569 PolarHBondContact O-N 3.06Å; A566-L569 PolarHBondContact O-N 2.81Å; L569-I571 VanDerWaalsContact C-N 3.28Å; L569-I571 PolarHBondContact O-N 3.09Å; L569-K572 WeakPolarHBondContact O-CG 3.02Å
570D85.2Confident83.6Confident25 Ų2543.1 Ų43.113%0.13422%0.224CC..THydrogen-bonded Turntrans-77-4.8178.7-85.3-5.4000114.3I495 K499 A566 I568 K572 F573 N574I495-D570 HydrophobicContact CD1-CB 4.27Å; I495-D570 HydrophobicContact CG2-CB 4.38Å; I495-D570 WeakPolarHBondContact CG2-OD2 3.4Å; K499-D570 VanDerWaalsContact CE-OD1 3.3Å; K499-D570 WeakPolarHBondContact CE-OD1 3.39Å; K499-D570 VanDerWaalsContact NZ-CG 3.34Å; K499-D570 IonicContact NZ-OD1 3.74Å; K499-D570 PolarHBondContact NZ-OD1 3Å; K499-D570 IonicContact NZ-OD2 2.81Å; K499-D570 PolarHBondContact NZ-OD2 3.19Å; A566-D570 PolarHBondContact O-N 3.32Å; I568-D570 VanDerWaalsContact C-N 3.28Å; I568-D570 PolarHBondContact O-N 2.86Å; D570-K572 PolarHBondContact O-N 2.81Å; D570-F573 HydrophobicContact CB-CD2 4.27Å; D570-F573 WeakPolarHBondContact O-CB 3.23Å; D570-F573 PolarHBondContact O-N 3.43Å; D570-F573 WeakPolarHBondContact OD1-CD2 3.4Å; D570-F573 WeakPolarHBondContact OD1-CE2 3.31Å; D570-N574 PolarHBondContact O-N 2.85Å
571I83.7Confident84.5Confident21 Ų2141 Ų4111%0.10821%0.21CC..Hα-helixtrans-58.3-31.2174.8-65.1173.9000111.6K253 P555 A567 I568 L569 F573 N574 N575K253-I571 HydrophobicContact CD-CD1 3.8Å; P555-I571 HydrophobicContact CG-CG2 4Å; A567-I571 WeakPolarHBondContact O-CG1 3.27Å; I568-I571 WeakPolarHBondContact O-CB 3.35Å; I568-I571 WeakPolarHBondContact O-CG1 3.3Å; I568-I571 PolarHBondContact O-N 2.79Å; L569-I571 VanDerWaalsContact C-N 3.28Å; L569-I571 PolarHBondContact O-N 3.09Å; I571-F573 PolarHBondContact O-N 3.01Å; I571-N574 WeakPolarHBondContact O-CB 3.33Å; I571-N574 PolarHBondContact O-N 3.38Å; I571-N574 VanDerWaalsContact O-N 3.11Å; I571-N575 PolarHBondContact O-N 2.62Å; I571-N575 PolarHBondContact O-OD1 3.37Å
572K85.4Confident85.4Confident25 Ų2531.6 Ų31.611%0.10918%0.175CC..Hα-helixtrans-58.6-31.8174.470.6-165.9179172.80112.5T85 E88 L569 D570 I576T85-K572 HydrophobicContact CG2-CB 4.46Å; T85-K572 HydrophobicContact CG2-CD 3.7Å; T85-K572 HydrophobicContact CG2-CG 3.9Å; E88-K572 IonicContact OE1-NZ 2.69Å; E88-K572 PolarHBondContact OE1-NZ 2.86Å; E88-K572 IonicContact OE2-NZ 3.28Å; E88-K572 PolarHBondContact OE2-NZ 2.79Å; L569-K572 WeakPolarHBondContact O-CG 3.02Å; D570-K572 PolarHBondContact O-N 2.81Å; K572-I576 WeakPolarHBondContact O-CG1 3.45Å; K572-I576 PolarHBondContact O-N 2.92Å
573F90.3Very high86.7Confident1 Ų129.8 Ų29.80%0.00417%0.17CC..Hα-helixtrans-79.1-32.6176-59.7-67.8000112.7A83 T85 I495 A498 K499 D570 I571 N575 I576 V577A83-F573 HydrophobicContact CB-CE2 4.43Å; A83-F573 HydrophobicContact CB-CZ 3.91Å; T85-F573 HydrophobicContact CG2-CE1 4.05Å; T85-F573 HydrophobicContact CG2-CZ 4.32Å; I495-F573 HydrophobicContact CD1-CB 3.82Å; A498-F573 HydrophobicContact CB-CB 4.07Å; A498-F573 HydrophobicContact CB-CD1 4.44Å; K499-F573 HydrophobicContact CD-CD2 4.38Å; K499-F573 HydrophobicContact CD-CE2 4.29Å; K499-F573 VanDerWaalsContact CE-CD2 3.47Å; K499-F573 VanDerWaalsContact CE-CE2 3.49Å; K499-F573 HydrophobicContact CG-CD1 3.79Å; K499-F573 HydrophobicContact CG-CD2 4.04Å; K499-F573 HydrophobicContact CG-CE1 3.72Å; K499-F573 HydrophobicContact CG-CE2 3.97Å; K499-F573 HydrophobicContact CG-CG 3.97Å; K499-F573 HydrophobicContact CG-CZ 3.83Å; D570-F573 HydrophobicContact CB-CD2 4.27Å; D570-F573 WeakPolarHBondContact O-CB 3.23Å; D570-F573 PolarHBondContact O-N 3.43Å; D570-F573 WeakPolarHBondContact OD1-CD2 3.4Å; D570-F573 WeakPolarHBondContact OD1-CE2 3.31Å; I571-F573 PolarHBondContact O-N 3.01Å; F573-N575 PolarHBondContact O-N 2.86Å; F573-I576 HydrophobicContact CD1-CD1 3.94Å; F573-I576 HydrophobicContact CE1-CD1 4.43Å; F573-I576 WeakPolarHBondContact O-CB 3.4Å; F573-I576 PolarHBondContact O-N 3.44Å; F573-I576 VanDerWaalsContact O-N 3.09Å; F573-V577 WeakPolarHBondContact O-CG2 3.44Å; F573-V577 PolarHBondContact O-N 3.31Å
574N91.1Very high88Confident2 Ų226.3 Ų26.31%0.01116%0.155CC..Hα-helixtrans-54.6-44.2169.2-77.3-19.9000111.5I495 L558 D570 I571 I576 V577 I578I495-N574 WeakPolarHBondContact CD1-OD1 3.11Å; L558-N574 HydrophobicContact CB-CB 4.29Å; L558-N574 WeakPolarHBondContact CB-OD1 3.26Å; L558-N574 HydrophobicContact CD1-CB 4.39Å; L558-N574 PolarHBondContact O-ND2 3.26Å; D570-N574 PolarHBondContact O-N 2.85Å; I571-N574 WeakPolarHBondContact O-CB 3.33Å; I571-N574 PolarHBondContact O-N 3.38Å; I571-N574 VanDerWaalsContact O-N 3.11Å; N574-I576 VanDerWaalsContact C-N 3.31Å; N574-I576 PolarHBondContact O-N 3.13Å; N574-V577 PolarHBondContact O-N 3.25Å; N574-I578 PolarHBondContact O-N 2.99Å; N574-I578 VanDerWaalsContact O-N 3.16Å
575N92.2Very high89.2Confident8 Ų825 Ų254%0.04314%0.144CC..Hα-helixtrans-64-38.2178.9-57.9-9.1000111G550 I571 F573 I578 N579G550-N575 PolarHBondContact O-OD1 3.01Å; I571-N575 PolarHBondContact O-N 2.62Å; I571-N575 PolarHBondContact O-OD1 3.37Å; F573-N575 PolarHBondContact O-N 2.86Å; N575-I578 PolarHBondContact O-N 2.92Å; N575-N579 PolarHBondContact O-N 2.79Å; N575-N579 PolarHBondContact O-ND2 3.1Å; N575-N579 PolarHBondContact O-OD1 2.93Å
576I92.7Very high90.1Very high31 Ų3126.2 Ų26.216%0.15914%0.144CC..Hα-helixtrans-64.4-42.1174.7-68.8166.2000111.7T85 A498 K572 F573 N574 I578 N579 I580T85-I576 HydrophobicContact CG2-CD1 4.13Å; A498-I576 HydrophobicContact CB-CB 4.32Å; A498-I576 HydrophobicContact CB-CG2 3.96Å; K572-I576 WeakPolarHBondContact O-CG1 3.45Å; K572-I576 PolarHBondContact O-N 2.92Å; F573-I576 HydrophobicContact CD1-CD1 3.94Å; F573-I576 HydrophobicContact CE1-CD1 4.43Å; F573-I576 WeakPolarHBondContact O-CB 3.4Å; F573-I576 PolarHBondContact O-N 3.44Å; F573-I576 VanDerWaalsContact O-N 3.09Å; N574-I576 VanDerWaalsContact C-N 3.31Å; N574-I576 PolarHBondContact O-N 3.13Å; I576-I578 PolarHBondContact O-N 3.47Å; I576-N579 PolarHBondContact O-N 2.82Å; I576-I580 HydrophobicContact CG2-CD1 3.85Å; I576-I580 WeakPolarHBondContact O-CG1 3.31Å; I576-I580 PolarHBondContact O-N 3.5Å
577V96.2Very high90.9Very high0 Ų027.6 Ų27.60%014%0.137CC..Hα-helixtrans-59.1-46.8175.7-179.90000110.7M486 F494 A498 V510 L558 F573 N574 N579 I580 L581M486-V577 HydrophobicContact CE-CG1 3.74Å; F494-V577 HydrophobicContact CB-CG2 4.3Å; F494-V577 HydrophobicContact CD1-CG1 4.1Å; F494-V577 WeakPolarHBondContact O-CG2 3.47Å; A498-V577 HydrophobicContact CB-CG2 3.68Å; V510-V577 HydrophobicContact CG1-CG1 4.29Å; V510-V577 HydrophobicContact CG2-CG1 4.39Å; L558-V577 HydrophobicContact CD1-CB 3.78Å; L558-V577 HydrophobicContact CD1-CG1 3.84Å; L558-V577 HydrophobicContact CD1-CG2 4.1Å; F573-V577 WeakPolarHBondContact O-CG2 3.44Å; F573-V577 PolarHBondContact O-N 3.31Å; N574-V577 PolarHBondContact O-N 3.25Å; V577-N579 PolarHBondContact O-N 3.31Å; V577-I580 WeakPolarHBondContact O-CB 3.44Å; V577-I580 PolarHBondContact O-N 3.12Å; V577-L581 HydrophobicContact CG1-CD1 4.39Å; V577-L581 HydrophobicContact CG1-CG 4.45Å; V577-L581 WeakPolarHBondContact O-CG 3.21Å; V577-L581 PolarHBondContact O-N 3.32Å
578I96.5Very high91.7Very high0 Ų026.8 Ų26.80%013%0.13CC..Hα-helixtrans-66.9-37.5-179.3-59.2-47000112M486 F553 L557 L558 N574 N575 I576 I580 L581 I582M486-I578 HydrophobicContact SD-CD1 4.03Å; F553-I578 HydrophobicContact CB-CG2 4.06Å; L557-I578 HydrophobicContact CB-CD1 4.25Å; L557-I578 HydrophobicContact CD1-CD1 3.92Å; L558-I578 HydrophobicContact CD1-CD1 4.48Å; N574-I578 PolarHBondContact O-N 2.99Å; N574-I578 VanDerWaalsContact O-N 3.16Å; N575-I578 PolarHBondContact O-N 2.92Å; I576-I578 PolarHBondContact O-N 3.47Å; I578-I580 PolarHBondContact O-N 2.81Å; I578-L581 HydrophobicContact CD1-CD1 3.96Å; I578-L581 PolarHBondContact O-N 2.91Å; I578-I582 HydrophobicContact CG2-CD1 3.87Å; I578-I582 HydrophobicContact CG2-CG1 4.49Å; I578-I582 WeakPolarHBondContact O-CG1 3.24Å; I578-I582 PolarHBondContact O-N 3.1Å; I578-I582 VanDerWaalsContact O-N 3.11Å
579N95.1Very high92.5Very high26 Ų2626.1 Ų26.114%0.13913%0.126CC..Hα-helixtrans-58.3-48.9172.5-64.6-14.1000110.9V546 G550 N575 I576 V577 L581 I582 D583V546-N579 HydrophobicContact CG1-CB 4Å; V546-N579 PolarHBondContact O-OD1 3.48Å; V546-N579 VanDerWaalsContact O-OD1 3.14Å; G550-N579 WeakPolarHBondContact CA-OD1 3.27Å; N575-N579 PolarHBondContact O-N 2.79Å; N575-N579 PolarHBondContact O-ND2 3.1Å; N575-N579 PolarHBondContact O-OD1 2.93Å; I576-N579 PolarHBondContact O-N 2.82Å; V577-N579 PolarHBondContact O-N 3.31Å; N579-L581 VanDerWaalsContact C-N 3.31Å; N579-L581 PolarHBondContact O-N 2.72Å; N579-I582 PolarHBondContact O-N 2.88Å; N579-D583 WeakPolarHBondContact O-CB 3.41Å; N579-D583 PolarHBondContact O-N 3.15Å
580I96.3Very high93.1Very high6 Ų628.3 Ų28.33%0.03113%0.134CC..Hα-helixtrans-55.3-45.3177-73.8162.8000111.6R506 V507 V510 I576 V577 I578 I582 N584 I588R506-I580 HydrophobicContact CB-CD1 3.61Å; V507-I580 HydrophobicContact CG2-CG2 4.04Å; V510-I580 HydrophobicContact CB-CG2 4.05Å; V510-I580 HydrophobicContact CG1-CG2 3.96Å; V510-I580 HydrophobicContact CG2-CD1 4.41Å; V510-I580 HydrophobicContact CG2-CG2 4.29Å; I576-I580 HydrophobicContact CG2-CD1 3.85Å; I576-I580 WeakPolarHBondContact O-CG1 3.31Å; I576-I580 PolarHBondContact O-N 3.5Å; V577-I580 WeakPolarHBondContact O-CB 3.44Å; V577-I580 PolarHBondContact O-N 3.12Å; I578-I580 PolarHBondContact O-N 2.81Å; I580-I582 PolarHBondContact O-N 2.72Å; I580-N584 VanDerWaalsContact O-CB 3.28Å; I580-N584 WeakPolarHBondContact O-CB 3.45Å; I580-N584 PolarHBondContact O-N 2.94Å; I580-N584 PolarHBondContact O-ND2 2.91Å; I580-N584 VanDerWaalsContact O-ND2 3.11Å; I580-I588 HydrophobicContact CG2-CD1 3.81Å
581L97.6Very high93.3Very high0 Ų031.6 Ų31.60%015%0.151CC..Hα-helixtrans-62.1-40.9179.8-68.5179.8000112.6M486 V510 V514 L525 I529 V577 I578 N579 Y585 I588 F589M486-L581 HydrophobicContact CE-CD1 3.93Å; M486-L581 HydrophobicContact SD-CD1 3.98Å; V510-L581 HydrophobicContact CG1-CD2 3.62Å; V510-L581 HydrophobicContact CG1-CG 4.3Å; V514-L581 HydrophobicContact CG2-CD2 3.61Å; L525-L581 HydrophobicContact CD1-CD1 4.34Å; L525-L581 HydrophobicContact CD2-CD1 4.34Å; I529-L581 HydrophobicContact CD1-CB 3.85Å; I529-L581 HydrophobicContact CD1-CD1 3.91Å; I529-L581 HydrophobicContact CG1-CB 4.13Å; I529-L581 HydrophobicContact CG1-CD1 4.18Å; I529-L581 HydrophobicContact CG2-CB 4.03Å; I529-L581 VanDerWaalsContact CG2-O 3.27Å; I529-L581 WeakPolarHBondContact CG2-O 3.48Å; V577-L581 HydrophobicContact CG1-CD1 4.39Å; V577-L581 HydrophobicContact CG1-CG 4.45Å; V577-L581 WeakPolarHBondContact O-CG 3.21Å; V577-L581 PolarHBondContact O-N 3.32Å; I578-L581 HydrophobicContact CD1-CD1 3.96Å; I578-L581 PolarHBondContact O-N 2.91Å; N579-L581 VanDerWaalsContact C-N 3.31Å; N579-L581 PolarHBondContact O-N 2.72Å; L581-Y585 VanDerWaalsContact O-CA 3.28Å; L581-Y585 WeakPolarHBondContact O-CA 3.29Å; L581-Y585 PolarHBondContact O-N 2.81Å; L581-Y585 VanDerWaalsContact O-N 3.14Å; L581-I588 HydrophobicContact CD2-CD1 4.18Å; L581-I588 HydrophobicContact CD2-CG2 4.03Å; L581-F589 HydrophobicContact CB-CE2 4.49Å; L581-F589 HydrophobicContact CD2-CE2 4.02Å; L581-F589 HydrophobicContact CD2-CZ 4.09Å
582I97.2Very high93.4Very high4 Ų439 Ų392%0.02118%0.183CC..Hα-helixtrans-74.5-52.3179.8-64167.2000110.5I529 L532 V546 L549 I578 N579 I580 N584 Y585I529-I582 HydrophobicContact CD1-CG1 4.45Å; I529-I582 HydrophobicContact CG2-CG1 4.3Å; L532-I582 HydrophobicContact CB-CD1 3.84Å; L532-I582 HydrophobicContact CB-CG1 4.07Å; L532-I582 HydrophobicContact CD1-CD1 4.28Å; V546-I582 HydrophobicContact CB-CG2 4.45Å; V546-I582 HydrophobicContact CG1-CB 3.91Å; V546-I582 HydrophobicContact CG1-CD1 4.33Å; V546-I582 HydrophobicContact CG1-CG2 3.96Å; V546-I582 HydrophobicContact CG2-CG2 3.79Å; L549-I582 HydrophobicContact CB-CD1 4.02Å; L549-I582 HydrophobicContact CD1-CD1 4.4Å; I578-I582 HydrophobicContact CG2-CD1 3.87Å; I578-I582 HydrophobicContact CG2-CG1 4.49Å; I578-I582 WeakPolarHBondContact O-CG1 3.24Å; I578-I582 PolarHBondContact O-N 3.1Å; I578-I582 VanDerWaalsContact O-N 3.11Å; N579-I582 PolarHBondContact O-N 2.88Å; I580-I582 PolarHBondContact O-N 2.72Å; I582-N584 PolarHBondContact O-N 3.49Å; I582-Y585 PolarHBondContact O-N 3.16Å
583D95.9Very high93.2Very high107 Ų10739.5 Ų39.557%0.57219%0.189SC*.Hα-helixtrans-61.2-28-178.2-72.4-38.3000112.8V546 N579V546-D583 WeakPolarHBondContact CG2-OD1 3.38Å; N579-D583 WeakPolarHBondContact O-CB 3.41Å; N579-D583 PolarHBondContact O-N 3.15Å
584N95.5Very high92.2Very high34 Ų3444.7 Ų44.718%0.18223%0.225CC..THydrogen-bonded Turntrans-115.619.9-177-60.6-102.6000112.9V507 I580 I582 E586 R587 I588V507-N584 HydrophobicContact CG1-CB 4.23Å; I580-N584 VanDerWaalsContact O-CB 3.28Å; I580-N584 WeakPolarHBondContact O-CB 3.45Å; I580-N584 PolarHBondContact O-N 2.94Å; I580-N584 PolarHBondContact O-ND2 2.91Å; I580-N584 VanDerWaalsContact O-ND2 3.11Å; I582-N584 PolarHBondContact O-N 3.49Å; N584-E586 PolarHBondContact O-N 2.85Å; N584-R587 HydrophobicContact CB-CB 4.38Å; N584-R587 CarbonylContact O-C 3.54Å; N584-R587 WeakPolarHBondContact O-CA 3.39Å; N584-R587 WeakPolarHBondContact O-CB 3.15Å; N584-R587 PolarHBondContact O-N 2.96Å; N584-I588 HydrophobicContact CB-CD1 3.72Å; N584-I588 HydrophobicContact CB-CG1 3.89Å; N584-I588 PolarHBondContact O-N 2.92Å
585Y96.6Very high90.4Very high17 Ų1748.9 Ų48.97%0.06726%0.26CS..Hα-helixtrans-46.2-51.8-173.8165.8-110.5000114D526 I529 C530 T533 L581 I582 R587 I588 F589 K590D526-Y585 WeakPolarHBondContact OD1-CE2 3.02Å; I529-Y585 HydrophobicContact CB-CD2 4.45Å; I529-Y585 HydrophobicContact CG2-CD2 3.89Å; I529-Y585 HydrophobicContact CG2-CG 4.49Å; C530-Y585 HydrophobicContact CB-CE1 4.28Å; C530-Y585 HydrophobicContact CB-CE2 3.72Å; C530-Y585 VanDerWaalsContact CB-CZ 3.49Å; C530-Y585 WeakPolarHBondContact CB-OH 3.5Å; C530-Y585 VanDerWaalsContact SG-CZ 3.59Å; C530-Y585 PolarHBondContact SG-OH 2.75Å; T533-Y585 HydrophobicContact CG2-CD1 4.48Å; L581-Y585 VanDerWaalsContact O-CA 3.28Å; L581-Y585 WeakPolarHBondContact O-CA 3.29Å; L581-Y585 PolarHBondContact O-N 2.81Å; L581-Y585 VanDerWaalsContact O-N 3.14Å; I582-Y585 PolarHBondContact O-N 3.16Å; Y585-R587 VanDerWaalsContact C-N 3.34Å; Y585-R587 PolarHBondContact O-N 3.1Å; Y585-I588 PolarHBondContact O-N 3.44Å; Y585-F589 HydrophobicContact CD2-CB 4.22Å; Y585-F589 AromaticContact CD2-CD2 3.63Å; Y585-F589 HydrophobicContact CD2-CD2 3.63Å; Y585-F589 HydrophobicContact CD2-CE2 4.35Å; Y585-F589 HydrophobicContact CD2-CG 4.13Å; Y585-F589 HydrophobicContact CE2-CB 4.13Å; Y585-F589 HydrophobicContact CE2-CD2 4.22Å; Y585-F589 HydrophobicContact CE2-CG 4.27Å; Y585-F589 PolarHBondContact O-N 3.43Å; Y585-K590 WeakPolarHBondContact OH-CE 3.22Å; Y585-K590 PolarHBondContact OH-NZ 3.05Å
586E93.5Very high88.1Confident98 Ų9853.9 Ų53.946%0.45829%0.287SS..Hα-helixtrans-62.9-38180-54.5-60.7164.800112.6R537 N584 K590 N591R537-E586 IonicContact NH2-OE1 3.99Å; N584-E586 PolarHBondContact O-N 2.85Å; E586-K590 WeakPolarHBondContact O-CB 3.43Å; E586-K590 PolarHBondContact O-N 3.22Å; E586-N591 PolarHBondContact O-ND2 3.13Å
587R92.9Very high85.4Confident89 Ų8959.5 Ų59.534%0.33632%0.315SS..Hα-helixtrans-70-42.4176.7175.1179.1175.3175.4-1.5111.3N504 V507 N508 H511 N584 Y585N504-R587 PolarHBondContact OD1-NH1 2.94Å; V507-R587 VanDerWaalsContact CG1-CZ 3.47Å; N508-R587 PolarHBondContact OD1-NH2 2.89Å; H511-R587 PolarHBondContact CE1-O 3.35Å; H511-R587 PolarHBondContact NE2-O 3.4Å; N584-R587 HydrophobicContact CB-CB 4.38Å; N584-R587 CarbonylContact O-C 3.54Å; N584-R587 WeakPolarHBondContact O-CA 3.39Å; N584-R587 WeakPolarHBondContact O-CB 3.15Å; N584-R587 PolarHBondContact O-N 2.96Å; Y585-R587 VanDerWaalsContact C-N 3.34Å; Y585-R587 PolarHBondContact O-N 3.1Å
588I95.2Very high82.5Confident0 Ų068.5 Ų68.50%035%0.354CS..Hα-helixtrans-82.2-37.5-171.5-68.3-179.2000112.5V507 V510 H511 V514 Y515 I580 L581 N584 Y585V507-I588 HydrophobicContact CG1-CD1 4.46Å; V510-I588 HydrophobicContact CG1-CD1 4.35Å; H511-I588 HydrophobicContact CB-CG1 4.16Å; H511-I588 PolarHBondContact CD2-O 3.2Å; H511-I588 PolarHBondContact NE2-O 3.31Å; V514-I588 HydrophobicContact CB-CG2 4.19Å; V514-I588 HydrophobicContact CG1-CG2 4.17Å; V514-I588 HydrophobicContact CG2-CG2 4.04Å; Y515-I588 VanDerWaalsContact CE2-O 3.23Å; Y515-I588 WeakPolarHBondContact CE2-O 3.21Å; I580-I588 HydrophobicContact CG2-CD1 3.81Å; L581-I588 HydrophobicContact CD2-CD1 4.18Å; L581-I588 HydrophobicContact CD2-CG2 4.03Å; N584-I588 HydrophobicContact CB-CD1 3.72Å; N584-I588 HydrophobicContact CB-CG1 3.89Å; N584-I588 PolarHBondContact O-N 2.92Å; Y585-I588 PolarHBondContact O-N 3.44Å
589F95Very high79.3Confident8 Ų876.2 Ų76.24%0.03540%0.395CS..Hα-helixtrans-104.8-26.8-172.5-69.1-88.8000114.5V514 Y515 F522 L525 D526 I529 L581 Y585V514-F589 HydrophobicContact CG1-CD1 4.27Å; V514-F589 HydrophobicContact CG1-CE1 3.73Å; V514-F589 HydrophobicContact CG1-CZ 4.07Å; Y515-F589 PolarHBondContact OH-O 3.29Å; F522-F589 HydrophobicContact CE2-CD1 4.25Å; F522-F589 HydrophobicContact CZ-CD1 4.16Å; L525-F589 HydrophobicContact CB-CE1 4.4Å; L525-F589 HydrophobicContact CD2-CE1 4.15Å; L525-F589 HydrophobicContact CD2-CZ 3.97Å; L525-F589 HydrophobicContact CG-CE1 4.06Å; L525-F589 HydrophobicContact CG-CZ 3.91Å; D526-F589 HydrophobicContact CB-CD1 3.69Å; D526-F589 HydrophobicContact CB-CE1 4.14Å; D526-F589 HydrophobicContact CB-CG 4.49Å; D526-F589 VanDerWaalsContact OD1-CB 3.23Å; D526-F589 WeakPolarHBondContact OD1-CB 3.44Å; D526-F589 WeakPolarHBondContact OD1-CD1 3.42Å; D526-F589 WeakPolarHBondContact OD1-CG 3.27Å; I529-F589 HydrophobicContact CB-CE2 4.06Å; I529-F589 HydrophobicContact CB-CZ 4.2Å; I529-F589 HydrophobicContact CG1-CE2 4.24Å; I529-F589 HydrophobicContact CG1-CZ 4.02Å; I529-F589 HydrophobicContact CG2-CD2 4.46Å; I529-F589 HydrophobicContact CG2-CE2 3.84Å; I529-F589 HydrophobicContact CG2-CZ 4.45Å; L581-F589 HydrophobicContact CB-CE2 4.49Å; L581-F589 HydrophobicContact CD2-CE2 4.02Å; L581-F589 HydrophobicContact CD2-CZ 4.09Å; Y585-F589 HydrophobicContact CD2-CB 4.22Å; Y585-F589 AromaticContact CD2-CD2 3.63Å; Y585-F589 HydrophobicContact CD2-CD2 3.63Å; Y585-F589 HydrophobicContact CD2-CE2 4.35Å; Y585-F589 HydrophobicContact CD2-CG 4.13Å; Y585-F589 HydrophobicContact CE2-CB 4.13Å; Y585-F589 HydrophobicContact CE2-CD2 4.22Å; Y585-F589 HydrophobicContact CE2-CG 4.27Å; Y585-F589 PolarHBondContact O-N 3.43Å
590K91.2Very high76.5Confident93 Ų9380.2 Ų80.240%0.40442%0.422SS..SBendtrans-98.5-9.9-177-46-50.4174.4-157.80113.8D526 Y585 E586D526-K590 VanDerWaalsContact CG-NZ 3.26Å; D526-K590 IonicContact OD1-NZ 2.81Å; D526-K590 PolarHBondContact OD1-NZ 2.73Å; D526-K590 IonicContact OD2-NZ 3.45Å; D526-K590 PolarHBondContact OD2-NZ 2.95Å; Y585-K590 WeakPolarHBondContact OH-CE 3.22Å; Y585-K590 PolarHBondContact OH-NZ 3.05Å; E586-K590 WeakPolarHBondContact O-CB 3.43Å; E586-K590 PolarHBondContact O-N 3.22Å
591N89.3Confident73.5Confident94 Ų9487.5 Ų87.550%0.50346%0.462SS..SBendtrans-122.1136.5177.4-63.6-89000110H511 Y515 E586H511-N591 PolarHBondContact CE1-O 2.86Å; H511-N591 PolarHBondContact NE2-O 2.94Å; Y515-N591 WeakPolarHBondContact CE2-O 3.36Å; Y515-N591 PolarHBondContact OH-O 3.33Å; E586-N591 PolarHBondContact O-ND2 3.13Å
592K84.9Confident70.4Confident176 Ų17690.7 Ų90.777%0.76549%0.488SS*.  trans-66.3148.7171.3-68.8-177.1179179.90109.9Y515 S594Y515-K592 HydrophobicContact CE1-CG 4.48Å; K592-S594 PolarHBondContact O-N 3.42Å
593P81.1Confident67.5Low36 Ų3696.3 Ų96.323%0.23452%0.523CS..  trans-62.7132.3175.3-15.930.7000109.1K512 Y515 A595K512-P593 HydrophobicContact CG-CB 4.21Å; Y515-P593 HydrophobicContact CD2-CG 3.43Å; Y515-P593 VanDerWaalsContact CD2-CG 3.43Å; Y515-P593 HydrophobicContact CE2-CG 4.12Å; Y515-P593 HydrophobicContact CG-CG 3.85Å; P593-A595 PolarHBondContact O-N 3.19Å; P593-A595 VanDerWaalsContact O-N 3.08Å
594S69.9Low64.7Low110 Ų110101.2 Ų101.277%0.76954%0.539SS*.  trans-59.4115170.9-58.70000108.5K592 D596K592-S594 PolarHBondContact O-N 3.42Å; S594-D596 PolarHBondContact O-N 3.25Å
595A53.6Low61.8Low90 Ų90104 Ų10474%0.74457%0.567SS**  trans-57.5133.8176.200000109.4P593 I597P593-A595 PolarHBondContact O-N 3.19Å; P593-A595 VanDerWaalsContact O-N 3.08Å; A595-I597 PolarHBondContact O-N 2.95Å
596D44.7Very low59.1Low112 Ų112109.4 Ų109.460%0.59960%0.604SS**  trans-53.2116.9-171.8-74-59.7000111.3K512 S594 K598K512-D596 WeakPolarHBondContact CE-OD1 3.47Å; K512-D596 WeakPolarHBondContact CE-OD2 3.4Å; K512-D596 IonicContact NZ-OD1 3.39Å; K512-D596 PolarHBondContact NZ-OD1 3.01Å; K512-D596 IonicContact NZ-OD2 3.52Å; K512-D596 PolarHBondContact NZ-OD2 2.88Å; S594-D596 PolarHBondContact O-N 3.25Å; D596-K598 PolarHBondContact O-N 2.94Å
597I35.8Very low56.3Low149 Ų149109.4 Ų109.476%0.76461%0.614SS**  trans-68.588.7166.9-58.1178.1000106.4A595 L599A595-I597 PolarHBondContact O-N 2.95Å; I597-L599 PolarHBondContact O-N 3.46Å
598K34.6Very low54Low189 Ų189113.4 Ų113.482%0.82264%0.641SS**  trans-56.3106.7162.1-71.1-174.3177.4-177.20106.7D596 P600D596-K598 PolarHBondContact O-N 2.94Å; K598-P600 WeakPolarHBondContact O-CD 3.39Å; K598-P600 VanDerWaalsContact O-N 3.12Å
599L30.1Very low51.3Low162 Ų162119.5 Ų119.585%0.84867%0.671SS**  trans-54.6115-173.1-146.377.4000109.7I597I597-L599 PolarHBondContact O-N 3.46Å
600P36.3Very low48.6Very low110 Ų110127.9 Ų127.971%0.71470%0.703SS**  trans-70.8139.3172.6-15.131.2000109.3K598K598-P600 WeakPolarHBondContact O-CD 3.39Å; K598-P600 VanDerWaalsContact O-N 3.12Å
601D32.2Very low46.1Very low160 Ų160129.5 Ų129.586%0.85672%0.724SS**  trans-75.7161179.5-163.48.1000112.2
602A32.7Very low43.6Very low67 Ų67130.4 Ų130.455%0.55474%0.737SS**SBendtrans59.2103.1158.100000120.2
603T35.6Very low41.4Very low122 Ų122133.4 Ų133.475%0.74874%0.744SS**  trans57.4108.6130.563.30000120.6
604K38Very low39.4Very low209 Ų209136.5 Ų136.591%0.90977%0.766SS**  155.4136.4129.4-84.8158.3-174.8174.80110.7
605A34.5Very low37.8Very low94 Ų94136.8 Ų136.878%0.77777%0.768SS**  trans-101.5169.5167.700000109.5
606P39.1Very low37.6Very low130 Ų130137.7 Ų137.784%0.84477%0.766SS**  -138.6174.470.435.4-16.9000116.3
607S36.3Very low37.5Very low97 Ų97138.1 Ų138.168%0.67878%0.776SS**  trans-78.7154.2-170.552.10000117.5
608I43.6Very low37.5Very low174 Ų174137 Ų13789%0.89278%0.776SS**  trans-127.7157.9143.8-65.8-175.8000108.1
609M39Very low37.4Very low127 Ų127139.6 Ų139.663%0.62678%0.78SS**  trans-127.3165.4-159.3-50149.3115.900112.9
610Y37.4Very low37.7Very low184 Ų184140.1 Ų140.172%0.72278%0.781SS**  trans155163.7162.2-28.7-60.2000112.3
611P38.7Very low37.8Very low128 Ų128140.8 Ų140.883%0.83179%0.785SS**  -99.5178.3-100.58.86.4000116.6
612S36.9Very low37.8Very low113 Ų113145.2 Ų145.279%0.7979%0.79SS**  trans-137.3163.1-167.7600000114.8
613R38.2Very low38Very low239 Ų239146.3 Ų146.390%0.90280%0.799SS**  trans-162.7144.1158-99.2-173.4175.2-133.50.8108.7
614S40.1Very low38Very low101 Ų101145.3 Ų145.371%0.70680%0.797SS**  cis-166.5141.7-21.738.50000109.8
615S36.5Very low38Very low116 Ų116143.2 Ų143.281%0.81179%0.79SS**  trans-129.7-143179.8-38.60000108.7
616P48.6Very low38.2Very low108 Ų108146.6 Ų146.670%0.70179%0.793SS**  cis-95.9-106.9-6.923.8-0.2000110.8
617P42.3Very low38Very low122 Ų122143.8 Ų143.879%0.79279%0.788SS**  cis-93.6-175.9-0.940-36.9000113.9
618T37Very low37.9Very low125 Ų125149.2 Ų149.277%0.76780%0.8SS**  trans-165.3151.6178.3-37.60000111.4
619R33Very low37.6Very low244 Ų244145.6 Ų145.692%0.92180%0.795SS**  trans-167.4130.8133.7-120.3176.1176.3169.9-0117.7
620M35.2Very low37.5Very low173 Ų173144.2 Ų144.285%0.85280%0.804SS**  trans-121.9158.8146.3-68.5179.972.900108.6
621P38.9Very low37.4Very low124 Ų124140.2 Ų140.281%0.80580%0.803SS**  trans-113.9158.1169.337.6-28.4000114.1
622R33.1Very low37.2Very low252 Ų252140.9 Ų140.995%0.95181%0.805SS**  trans-156.7157.7176.9-173.8175.5-179.7178.51.5111.1
623A35.2Very low37Very low91 Ų91139 Ų13975%0.75280%0.804SS**  trans79.1149.416900000117.1
624S36.5Very low36.8Very low100 Ų100132.4 Ų132.470%0.69980%0.8SS**  cis-174.2160.2-15.350.60000114.9
625Q37.6Very low36.5Very low166 Ų166137 Ų13778%0.77681%0.813SS**  trans88.6136.9149.6-79.8-174.927.400124.5
626I38.5Very low36.3Very low164 Ų164135.4 Ų135.484%0.84181%0.814SS**  trans77136.5152.4-63.6156.5000120
627G35.1Very low35.6Very low71 Ų71135.8 Ų135.873%0.73282%0.82SS**  trans-172.9-48.6173.700000125.7
628K35Very low35.1Very low212 Ų212135.1 Ų135.192%0.92282%0.818SS**  trans59.7141.9179.7-69.6-175.9176.6-179.90122.1
629A36.4Very low34.8Very low97 Ų97134 Ų13480%0.80282%0.815SS**  trans65.1128.5155.700000119.5
630A36.3Very low34.7Very low99 Ų99129.6 Ų129.682%0.81881%0.81SS**  85.1137.654.200000113.6
631S36.1Very low34.5Very low99 Ų99127.6 Ų127.669%0.69281%0.808SS**  cis-164.6167.90.652.90000112.6
632T34.6Very low34.1Very low143 Ų143126.5 Ų126.588%0.87781%0.809SS**  trans60.3147160.648.30000119.8
633G33Very low34.2Very low74 Ų74118.3 Ų118.376%0.76380%0.803SS**  cis168.4167.6-7.500000113.9
634A34.5Very low34.2Very low99 Ų99121.2 Ų121.282%0.81881%0.806SS**  trans70.7124.716200000123.4
635M32Very low34.3Very low199 Ų199121.6 Ų121.698%0.9881%0.806SS**  trans38.8134.7137.2-60.4-178174.800123.4
636G33.9Very low34Very low81 Ų81120.4 Ų120.484%0.83580%0.802SS**  trans175126.3159.300000114.2
637S32.3Very low33.8Very low117 Ų117120.9 Ų120.982%0.81880%0.798SS**  trans-95.9163.2-170.3-53.70000115.6
638S32.3Very low33.6Very low107 Ų107124.3 Ų124.375%0.74880%0.799SS**  trans96.2122.5142.6-58.20000122.4
639S31.1Very low33.4Very low102 Ų102120.1 Ų120.171%0.71379%0.787SS**  trans66.5121.8135.362.30000123.3
640N30.9Very low33.1Very low151 Ų151122.4 Ų122.481%0.80778%0.781SS**  trans38.4122.7136-52.9-3.7000118.5
641T31.6Very low32.7Very low132 Ų132126.1 Ų126.181%0.8178%0.782SS**  178.4149.275.2-63.70000110.4
642A30.5Very low32.3Very low101 Ų101127.7 Ų127.784%0.83578%0.776SS**  trans37.9118.9161.700000120.7
643G33.7Very low31.9Very low80 Ų80128.2 Ų128.283%0.82577%0.772SS**  trans-175.689.8167.700000113.6
644N36.6Very low31.6Very low151 Ų151133.2 Ų133.281%0.80777%0.769SS**  trans-78.9146.8159-142.1-3.9000106.8
645P37.6Very low31.2Very low109 Ų109139.6 Ų139.671%0.70877%0.772SS**  -152.9146.274.139.1-19000118.3
646M31.2Very low31Very low141 Ų141135.9 Ų135.970%0.69576%0.76SS**  66.9118.4127.8-67-174.976.100123.5
647F35.5Very low30.7Very low173 Ų173138.6 Ų138.676%0.75976%0.76SS**  trans61.9162.3138.5-71.7-90.4000118
648L30.2Very low30.5Very low144 Ų144137.5 Ų137.575%0.75475%0.752SS**  cis-148.4161.429-152.266.3000107.4
649N31.9Very low30.2Very low123 Ų123142 Ų14266%0.65876%0.758SS**  cis-150.2139.817.2-160.21000111.4
650Q29.2Very low30.3Very low146 Ų146143.5 Ų143.568%0.68276%0.763SS**  trans-102.7119.7167.4-86.1-170.9-9.300110K652Q650-K652 PolarHBondContact O-N 2.95Å
651Q27.9Very low30.1Very low177 Ų177143.8 Ų143.883%0.82777%0.765SS**  trans-90.790.1162.1-78.3-171.7-44.200110.4I653Q651-I653 PolarHBondContact O-N 3.14Å
652K28.5Very low29.8Very low131 Ų131143.8 Ų143.857%0.5777%0.769SS**  trans-73.3101.5167.3-71.6-170.1175.9-172.90109.8Q650 Y654Q650-K652 PolarHBondContact O-N 2.95Å; K652-Y654 HydrophobicContact CB-CD2 4.03Å; K652-Y654 HydrophobicContact CB-CE2 3.81Å; K652-Y654 HydrophobicContact CD-CE2 3.75Å; K652-Y654 HydrophobicContact CG-CE2 4.43Å; K652-Y654 PolarHBondContact O-N 3.31Å
653I26.1Very low30Very low155 Ų155145.9 Ų145.980%0.79577%0.771SS**  trans-77.187.3170.2-57.1179.5000108.9Q651 R655Q651-I653 PolarHBondContact O-N 3.14Å; I653-R655 PolarHBondContact O-N 2.93Å
654Y26.1Very low29.7Very low178 Ų178149.6 Ų149.670%0.69877%0.767SS**  trans-77.1102.8163.8-70.7-75.3000109.2K652 V656K652-Y654 HydrophobicContact CB-CD2 4.03Å; K652-Y654 HydrophobicContact CB-CE2 3.81Å; K652-Y654 HydrophobicContact CD-CE2 3.75Å; K652-Y654 HydrophobicContact CG-CE2 4.43Å; K652-Y654 PolarHBondContact O-N 3.31Å; Y654-V656 PolarHBondContact O-N 2.94Å; Y654-V656 VanDerWaalsContact O-N 3.15Å
655R26.3Very low29.7Very low234 Ų234148.6 Ų148.688%0.88377%0.769SS**  trans-77.899.4173-145.6179-164.4-175.15.4109I653 V657I653-R655 PolarHBondContact O-N 2.93Å; R655-V657 PolarHBondContact O-N 2.97Å
656V27.3Very low29.4Very low120 Ų120147.6 Ų147.673%0.72776%0.761SS**  trans-65.3117179.1176.70000109.9Y654 S658Y654-V656 PolarHBondContact O-N 2.94Å; Y654-V656 VanDerWaalsContact O-N 3.15Å; V656-S658 PolarHBondContact O-N 3.35Å
657V27.3Very low29.6Very low138 Ų138148.7 Ų148.784%0.83677%0.766SS**  trans-86.294169.2-179.40000108.3R655R655-V657 PolarHBondContact O-N 2.97Å
658S29.5Very low29.5Very low94 Ų94145 Ų14566%0.65776%0.762SS**  trans-65.4130.3173.7-63.40000110.8V656 T660V656-S658 PolarHBondContact O-N 3.35Å; S658-T660 PolarHBondContact O-N 3.04Å
659K25.5Very low29.6Very low202 Ų202142.9 Ų142.988%0.87876%0.759SS**  trans-75.3117.1170.3-68.6-178178.2-179.10110.1
660T31.9Very low29.6Very low133 Ų133142.5 Ų142.582%0.81677%0.766SS**  trans-131.7120.9159.3480000109.4S658S658-T660 PolarHBondContact O-N 3.04Å
661N27.4Very low29.7Very low157 Ų157143.7 Ų143.784%0.8478%0.777SS**  trans-73134.6-178.5-59.9-19.5000110.7
662C26.3Very low30Very low133 Ų133144 Ų14490%0.89978%0.778SS**  trans-145.6143.6149.8-93.60000108.6
663T34.1Very low30.2Very low144 Ų144145.6 Ų145.688%0.88379%0.793SS**  trans-84.4154-159.641.10000115.3
664E27.7Very low30.5Very low159 Ų159145 Ų14574%0.74379%0.79SS**  trans-53.4166.5163.4-122.3178.8-162.600113.3
665P36.2Very low31Very low129 Ų129142.5 Ų142.584%0.83880%0.795SS**  -139.9158.861.236.9-17.7000119
666T31Very low31.2Very low89 Ų89138.7 Ų138.755%0.54679%0.792SS.*  trans-62.7151177.8-39.20000115.9
667M34.9Very low31.4Very low163 Ų163136.4 Ų136.480%0.80379%0.793SS**  trans-158.2122.1135.9-94.9-51.7104.900112.1
668S33.6Very low31.6Very low95 Ų95136.9 Ų136.966%0.66479%0.791SS**  trans45148.4133.5-57.40000122.9
669S32.1Very low31.7Very low100 Ų100138.2 Ų138.270%0.69979%0.791SS**  cis177.2151.3-12.750.30000109.8
670S33.6Very low32Very low115 Ų115138.2 Ų138.280%0.80479%0.787SS**  trans154.593.9135.5-72.60000113.7
671L30.2Very low32Very low172 Ų172135.8 Ų135.890%0.90178%0.78SS**SBendtrans-152.556.3159-114.9-174.9000111.3
672Q34Very low32.2Very low183 Ų183136.6 Ų136.686%0.85578%0.784SS**  trans-168.9130170.9-106.4148.124.500110
673N32.6Very low32.4Very low164 Ų164133.6 Ų133.688%0.87778%0.775SS**  trans-162.6114.7151.1-107.5-27000109.8
674I32.3Very low32.3Very low143 Ų143131.4 Ų131.473%0.73377%0.765SS**  trans-108.1118.8170.5-62.2170000106.5N676I674-N676 PolarHBondContact O-N 3.44Å
675P37.2Very low32.6Very low126 Ų126131.5 Ų131.582%0.81877%0.771SS**  trans-85.195.7170.731.4-28.3000109.9
676N30.5Very low32.5Very low153 Ų153129.1 Ų129.182%0.81876%0.762SS**  trans-79.3134156.9-84.75.9000108.7I674I674-N676 PolarHBondContact O-N 3.44Å
677G31.6Very low32.7Very low73 Ų73132.5 Ų132.575%0.75377%0.774SS**  trans-164.3107.5173.300000109.9
678D31.7Very low32.6Very low148 Ų148131.4 Ų131.479%0.79177%0.771SS**  trans-65.9153.7-179-56.5-89.1000112.6
679N31.6Very low32.7Very low121 Ų121131.1 Ų131.165%0.64777%0.769SS**  -174.1136.7112.7-93.6-33.4000116.1
680Y32.3Very low32.9Very low202 Ų202132.4 Ų132.479%0.79278%0.778SS**  trans53.997148-52.9-48000123.3
681A31.7Very low32.9Very low82 Ų82130.6 Ų130.668%0.67878%0.778SS**  92.8136.8101.600000121.6
682L30.4Very low33Very low175 Ų175126.5 Ų126.592%0.91678%0.777SS**  trans59.7135.3174.2-77.965.6000114.5
683G30.1Very low33Very low69 Ų69122.2 Ų122.271%0.71177%0.773SS**  cis120.1145.621.900000108.6
684S33.8Very low32.9Very low98 Ų98123.9 Ų123.969%0.68578%0.776SS**  cis-164165.31.8-61.40000108.8
685N32.6Very low32.6Very low162 Ų162122.8 Ų122.887%0.86678%0.779SS**  trans69.5157.3159.5-56.8-19.6000116.8
686A34.6Very low32.3Very low78 Ų78124.9 Ų124.965%0.64578%0.782SS**  cis-157.1141.8-10.300000113.5
687M34.6Very low32.1Very low161 Ų161122 Ų12279%0.79377%0.774SS**  trans57.5139.9130.7-54.9178.980.900123.8
688N33.9Very low31.9Very low139 Ų139125.8 Ų125.874%0.74378%0.776SS**  trans71152.4147.6-68.20.3000119.8
689S35.5Very low31.8Very low89 Ų89124.1 Ų124.162%0.62278%0.776SS**  cis-173.9144.9-25.4530000110.4
690S37Very low32Very low127 Ų127123.5 Ų123.589%0.88878%0.778SS**  trans59.7153.1167.664.60000117.5
691G33.7Very low32.1Very low77 Ų77119.9 Ų119.979%0.79478%0.78SS**  cis159.6155.4-5.300000111.2
692G32.5Very low32Very low87 Ų87123.4 Ų123.490%0.89778%0.784SS**  trans104.6153.2-179.500000113.7
693A33.6Very low32Very low93 Ų93122.7 Ų122.777%0.76978%0.776SS**  trans-136.5145.4-168.800000113.1
694Q30.8Very low32.1Very low199 Ų199126.7 Ų126.793%0.9378%0.778SS**  trans-165.3151.8137.3-108.1158.172.400110.4
695C25Very low31.9Very low120 Ų120129 Ų12981%0.81178%0.781SS**  trans-96.4-172.9178.6-640000111.1
696I31.8Very low31.8Very low170 Ų170128 Ų12887%0.87278%0.776SS**  trans97.3144.4177.7-52.2157.3000112.6
697S26.4Very low31.5Very low92 Ų92127.4 Ų127.464%0.64378%0.777SS**  trans-70.5150.3-170.753.90000114.9
698L26.9Very low31.3Very low153 Ų153127.2 Ų127.280%0.80178%0.778SS**  168.8122.8116.9-90.5154.7000112.5
699S28.8Very low31.2Very low112 Ų112127.6 Ų127.678%0.78378%0.779SS**  trans57.7-178.9151.371.60000117.4
700P36.6Very low30.9Very low108 Ų108128.8 Ų128.870%0.70179%0.787SS**  trans-100160.2-151.238.5-38.8000116.6
701P34.1Very low30.8Very low127 Ų127127.5 Ų127.583%0.82578%0.776SS**  trans-85.8121159.133.4-29.2000111.8
702M30.5Very low30.6Very low156 Ų156130 Ų13077%0.76878%0.776SS**  trans-85.4177.8158.5-80.6-88.8-82.500110.2
703H30.4Very low30.7Very low160 Ų160134 Ų13474%0.74178%0.775SS**  trans76.1136172.8-62.7-75.6000116.2
704M30.7Very low30.6Very low153 Ų153132.5 Ų132.575%0.75477%0.769SS**  cis-141.8171.9-15.1-61.3-145.7-15600107.2
705L30.5Very low30.6Very low145 Ų145128.6 Ų128.676%0.75976%0.764SS**  cis-139.1162.920.5-82.187.1000112.6
706N29.2Very low31Very low142 Ų142130.7 Ų130.776%0.75977%0.765SS**  trans2133.9141.6-43.8-16.7000117.1
707G29.5Very low31Very low65 Ų65129.1 Ų129.167%0.6776%0.758SS**  cis150.2-165.62.800000110.5
708I31Very low31.3Very low157 Ų157131.7 Ų131.781%0.80577%0.765SS**  trans61.8102.6152.4-60.4171.8000114.2
709L30.8Very low31.4Very low147 Ų147130.9 Ų130.977%0.7776%0.761SS**  cis-156.4156.727-81.7137.1000113.1
710S28.4Very low31.6Very low114 Ų114133.2 Ų133.280%0.79776%0.759SS**  -107.7149.7129.2-61.30000106.7
711P36.5Very low31.4Very low100 Ų100132.7 Ų132.765%0.64975%0.754SS**  -157.1146.587.938.6-18.6000118
712T29.5Very low31.3Very low129 Ų129133.7 Ų133.779%0.79175%0.751SS**  59.7166.1125.7-45.40000121.6
713I33Very low31.3Very low172 Ų172129.7 Ų129.788%0.88274%0.738SS**  trans81126174.3-46.2167.8000113.1
714G32.9Very low31.3Very low61 Ų61131.6 Ų131.663%0.62974%0.744SS**  cis-156.5142.2-8.700000108.6
715S29.6Very low31.4Very low118 Ų118130.2 Ų130.283%0.82574%0.74SS**  51.5102.685.9-166.30000114.8
716I33.3Very low31.3Very low164 Ų164132 Ų13284%0.84174%0.744SS**  -168.5145.1127.7-97.2154.8000109
717N32.4Very low31.4Very low136 Ų136131.3 Ų131.373%0.72775%0.746SS**  trans-90.4179.3-177.5-66.7-41.1000112.5
718N33Very low31.5Very low147 Ų147133.2 Ų133.279%0.78675%0.748SS**  trans94152158.4-52.6-33.4000116.8
719L29.4Very low31.6Very low136 Ų136132 Ų13271%0.71275%0.749SS**  cis-172.2151.1-36.8-151.680.1000106.8
720H32.6Very low31.7Very low160 Ų160136 Ų13674%0.74175%0.753SS**  trans66.1164.8161.6-88.5-147.5000118.9
721T32.3Very low32Very low98 Ų98140 Ų14060%0.60175%0.751SS**  cis-178.3-172.5-34.4-80.70000104.9
722I31.2Very low31.9Very low147 Ų147142.9 Ų142.975%0.75475%0.75SS**  trans82136.9158.5-52.2-177.9000115
723S31.5Very low32.4Very low73 Ų73142.1 Ų142.151%0.5175%0.745SS.*  cis-173.1151.8-26.8-96.10000108.6
724K30.5Very low32.8Very low200 Ų200138.5 Ų138.587%0.8773%0.733SS**SBend-125.497.7112.6-71.7-169.8179.4174.60105.6
725N32.6Very low33Very low124 Ų124142.3 Ų142.366%0.66374%0.739SS**  81.1127.896.1-74.33.8000109.1
726E29Very low33.4Very low182 Ų182141.9 Ų141.985%0.8573%0.731SS**SBendcis-115.9168.545.1-58.6179.2123.100117.1
727T31.3Very low33.4Very low128 Ų128141.4 Ų141.479%0.78573%0.726SS**SBendtrans68100166.735.20000122.3
728S31.1Very low33.5Very low104 Ų104142.1 Ų142.173%0.72773%0.728SS**  95.9105127.4-56.90000123.8
729T33.7Very low33.3Very low133 Ų133139.2 Ų139.282%0.81672%0.724SS**  trans79.899.7136.441.40000125.2
730R32.2Very low33.8Very low229 Ų229138.1 Ų138.186%0.86473%0.725SS**  99.987.1114.2-149.9179.4-154.5-1626.3122.5
731R33.8Very low33.7Very low198 Ų198137.4 Ų137.475%0.74773%0.727SS**  trans73.3163157-68.6-173.7167.4-164.9-4.1117.7
732Y34Very low33.9Very low162 Ų162142.2 Ų142.264%0.63574%0.735SS**  cis-160164.1-9.7-106.6176.7000108.8
733V41.7Very low34Very low113 Ų113138.5 Ų138.569%0.68573%0.733SS**  cis94130.922157.20000115.1
734P39.9Very low34Very low96 Ų96141.9 Ų141.962%0.62374%0.744SS**  cis-151.1-177.1-11.245.8-25.6000120.9
735D37.6Very low34.2Very low141 Ų141140.4 Ų140.475%0.75474%0.744SS**  trans64.7158.3148.3-59.2-24.5000122.7
736T37.6Very low34.2Very low108 Ų108137.8 Ų137.866%0.66375%0.746SS**  cis-159.5-162.1-22.643.50000108.1
737E33.6Very low34.5Very low155 Ų155133.4 Ų133.472%0.72474%0.741SS**  cis-169.7178.22.5-136.5160.9112.400114.4
738I34.1Very low34.6Very low151 Ų151134.1 Ų134.177%0.77474%0.74SS**  trans78.4150152.9-70.6163.2000122.9
739A29.6Very low34.8Very low85 Ų85136.3 Ų136.370%0.70274%0.744SS**  trans-136.4-141.5179.900000110.6
740P40.3Very low34.7Very low114 Ų114133.7 Ų133.774%0.7474%0.744SS**  cis-142.8169.6-3.145.9-27000119.2
741D31.1Very low34.7Very low144 Ų144126.2 Ų126.277%0.7774%0.737SS**  trans50.1165.5138.8-14911.2000125.8
742Y34.9Very low34.5Very low200 Ų200123.2 Ų123.278%0.78474%0.741SS**  trans113.4132156.8-74.4-79.2000123I744Y742-I744 HydrophobicContact CD1-CD1 4.32Å
743G33.6Very low34.4Very low68 Ų68121.6 Ų121.670%0.70175%0.748SS**  trans119.272153.100000118.9
744I32.7Very low33.9Very low145 Ų145122.6 Ų122.674%0.74475%0.749SS**  77.2138.275-48.5168.9000116.4Y742Y742-I744 HydrophobicContact CD1-CD1 4.32Å
745I33Very low33.4Very low168 Ų168125.7 Ų125.786%0.86276%0.755SS**  trans78.4129176.5-39.8-175.6000115.6
746G33.2Very low33Very low70 Ų70122.6 Ų122.672%0.72274%0.744SS**  cis130.5148.1-0.800000112.6
747A35.2Very low32.8Very low90 Ų90125.3 Ų125.374%0.74475%0.749SS**  cis-169.3-176.5-8.700000110.9
748N34.1Very low32.7Very low143 Ų143126 Ų12677%0.76575%0.752SS**  trans73152.7169.6-60.6-10.1000118.5
749N34.9Very low32.7Very low149 Ų149123.5 Ų123.580%0.79775%0.754SS**  cis-168.1171-18.8-98.4-16.4000109
750G32.3Very low32.9Very low79 Ų79125 Ų12581%0.81476%0.755SS**  cis151.179.2-8.200000116
751G31.5Very low32.7Very low71 Ų71125.4 Ų125.473%0.73276%0.757SS**  trans153.1137.8173.900000112.4
752V28.9Very low32.8Very low136 Ų136124.2 Ų124.282%0.82476%0.755SS**  cis93.2148.523.9-176.80000114.3
753T31.9Very low32.7Very low127 Ų127119.9 Ų119.978%0.77975%0.753SS**  trans93.3148.3-179.674.60000116.2
754L31.2Very low32.4Very low134 Ų134121.3 Ų121.370%0.70275%0.753SS**  cis-153.5165.8-4.9-144.169.2000113.3
755Q30.8Very low32.2Very low161 Ų161120.2 Ų120.275%0.75275%0.753SS**  trans-5.5165.4148.6-70.8161.8-3.500122.1
756S28.7Very low32Very low77 Ų77116.8 Ų116.854%0.53874%0.744SS.*  cis174.6161.5-19.562.20000111.9
757H33.1Very low31.7Very low165 Ų165119.2 Ų119.276%0.76474%0.74SS**  trans63.9164.9149.1-65.5-37.9000119.4
758H31Very low31.3Very low168 Ų168122.7 Ų122.778%0.77874%0.739SS**  cis-165.6135.5-43.9-129.1-39.1000108.3
759A34.8Very low31Very low100 Ų100125.7 Ų125.783%0.82674%0.739SS**  trans-159131.316400000113.2
760V33.8Very low31.2Very low117 Ų117127.2 Ų127.271%0.70974%0.741SS**  trans-155.7131.6-179.3179.30000106.9V762V760-V762 HydrophobicContact CG1-CG2 4.2Å
761P36.9Very low31.2Very low121 Ų121128.6 Ų128.679%0.78674%0.736SS**  -146.4139101.925.1-2.2000114.9
762V32.2Very low31.1Very low120 Ų120132.4 Ų132.473%0.72774%0.735SS**  63.8118.180.8-179.80000115.3V760V760-V762 HydrophobicContact CG1-CG2 4.2Å
763S31.9Very low31Very low108 Ų108134.8 Ų134.876%0.75573%0.73SS**  -179.2118129.5-80.30000115.8
764S28.3Very low30.9Very low99 Ų99135.3 Ų135.369%0.69273%0.728SS**  trans53.9130.7135.3670000125.3
765T28.1Very low30.8Very low122 Ų122136.2 Ų136.275%0.74873%0.73SS**  trans75105.9132.4520000123.9
766S28.2Very low30.6Very low95 Ų95133.7 Ų133.766%0.66473%0.726SS**  93.8143.8112.581.10000122.6
767N28.1Very low30.8Very low121 Ų121136.5 Ų136.565%0.64774%0.74SS**  trans66.3131.4139.9-71.3-19.9000122.1
768F26.6Very low30.9Very low164 Ų164133 Ų13372%0.71974%0.74SS**  trans65.9163.5155.7-57.3-42.2000115.3
769R28.3Very low30.8Very low205 Ų205131.6 Ų131.677%0.77474%0.738SS**  cis-160.8161.1-18-115.2170.2-169178.92.3107.8
770H37.9Very low30.9Very low181 Ų181133.4 Ų133.484%0.83874%0.741SS**  trans-63.8138.9153.7-120.3-67.7000109.2
771P32.8Very low30.6Very low109 Ų109132.5 Ų132.571%0.70874%0.736SS**  -147.6174.4118.239.2-24.5000114.9
772E30.4Very low30.5Very low150 Ų150132.7 Ų132.770%0.70174%0.735SS**  trans-81.1-171.6163.6-57.6163.697.500111.7
773Y26.1Very low30.5Very low186 Ų186134.8 Ų134.873%0.72974%0.737SS**  trans106.2105.1149.3-71.9-67.6000122.3
774L29.8Very low30.3Very low138 Ų138134.9 Ų134.972%0.72374%0.738SS**  68.2159.1121-100.6179.5000123.4
775M28.2Very low30.4Very low153 Ų153134 Ų13475%0.75475%0.745SS**  trans85.3142.1160.9-55.7-127.9177.800117.7
776T28.3Very low30.5Very low109 Ų109134.2 Ų134.267%0.66975%0.751SS**  cis-163.3173.3-10.217.60000111.5
777T32.7Very low30.6Very low136 Ų136134.5 Ų134.583%0.83475%0.753SS**  trans75.6143.7165.574.60000117.3
778A34.1Very low30.8Very low92 Ų92132.6 Ų132.676%0.7675%0.749SS**  cis-153.8162.4-13.500000111.3
779N29.9Very low31Very low137 Ų137132.9 Ų132.973%0.73375%0.752SS**  trans-79.6172.9176-62-26.7000112.3V781N779-V781 HydrophobicContact CB-CG2 4.02Å
780P35.9Very low31.1Very low138 Ų138129.2 Ų129.290%0.89675%0.747SS**  -123.3161.49436.6-33.9000114.6
781V27.7Very low30.7Very low98 Ų98130.1 Ų130.159%0.59474%0.744SS**  trans-119.3134.6-171.9170.60000111.2N779N779-V781 HydrophobicContact CB-CG2 4.02Å
782T35.1Very low30.6Very low125 Ų125130.5 Ų130.577%0.76775%0.745SS**  trans-153116.614523.20000106.7
783Q31.4Very low30.8Very low164 Ų164130.4 Ų130.477%0.76675%0.749SS**  56.5134.281.7-67.7-176.7800113.5
784S28.5Very low30.9Very low111 Ų111128.6 Ų128.678%0.77676%0.757SS**  cis171132-22.941.20000105.5
785G30.9Very low31.2Very low81 Ų81127.2 Ų127.284%0.83576%0.759SS**  trans172.7108.6178.700000115.1
786S30Very low31.4Very low125 Ų125125.7 Ų125.787%0.87476%0.763SS**  trans-53.6148.5169.2-45.50000113
787S29.2Very low31.8Very low102 Ų102125.5 Ų125.571%0.71377%0.773SS**  166.7149.592.2-1690000114.9
788S32.8Very low31.9Very low80 Ų80122.6 Ų122.656%0.55977%0.77SS**  trans55.6108.4142.655.50000123.4
789H31.5Very low32Very low171 Ų171122.2 Ų122.279%0.79277%0.767SS**  68.4162.1112.6-58.1-48.6000120.4
790I29.7Very low32.3Very low128 Ų128123.4 Ų123.466%0.65677%0.774SS**  cis-153.6130.75.6-134.4151.6000112.4
791Y30.9Very low32.4Very low199 Ų199121.4 Ų121.478%0.7876%0.763SS**  trans61.6165.2139.6-74.3-142.5000122.6
792T30.1Very low32.9Very low118 Ų118121.5 Ų121.572%0.72477%0.768SS**  cis-164159.8-37.432.10000111.6
793N33.6Very low32.9Very low148 Ų148122.8 Ų122.879%0.79177%0.77SS**  trans-56170.2171.7-56.4-11.7000116.9
794T28.3Very low32.9Very low147 Ų147126 Ų12690%0.90278%0.775SS**  -159.5154125.94.80000114
795S36.3Very low33.2Very low110 Ų110128.5 Ų128.577%0.76978%0.778SS**  trans-165.1131.9-179.357.80000112.2
796S33.5Very low33.1Very low120 Ų120129.1 Ų129.184%0.83977%0.77SS**  trans-179.7164.4176.543.70000112
797A35.2Very low33Very low105 Ų105130.7 Ų130.787%0.86877%0.767SS**  cis-175.2168.1-2700000111.2
798G35.2Very low33Very low76 Ų76130.5 Ų130.578%0.78477%0.766SS**  trans126152.8150.400000117.7
799A36.4Very low32.9Very low83 Ų83134 Ų13469%0.68678%0.778SS**  cis-168.7162-13.600000113
800N37.1Very low32.9Very low163 Ų163131.6 Ų131.687%0.87278%0.775SS**  trans72.8149.7153.4-64.5-12.8000120
801S37.2Very low33Very low96 Ų96130.7 Ų130.767%0.67178%0.781SS**  cis-165.3130.2-5.3149.60000115.9
802S37.1Very low33.1Very low99 Ų99127.2 Ų127.269%0.69278%0.782SS**  trans70.8145.3134-45.70000126.7
803N36.6Very low33.5Very low153 Ų153127.6 Ų127.682%0.81879%0.787SS**  trans90.574144.3-66.2-11.5000124.6
804R30.8Very low33.5Very low232 Ų232127 Ų12788%0.87578%0.784SS**  26.6120.9113.5-164.7-159.3-115-131.43.6120.3
805I34.5Very low33.9Very low163 Ų163125.7 Ų125.784%0.83678%0.775SS**  178.2175.7127.1-91.8161.9000110
806S28.5Very low33.8Very low94 Ų94124.7 Ų124.766%0.65777%0.774SS**  trans-118.6167.9-149.154.80000117.9
807L28.4Very low33.9Very low157 Ų157126.8 Ų126.882%0.82277%0.773SS**  trans107126.8156.7-64.2165000118.9
808S28.3Very low33.8Very low99 Ų99132.7 Ų132.769%0.69277%0.772SS**  trans42.2121.1147.360.80000122.4
809N31.8Very low33.6Very low153 Ų153136.3 Ų136.382%0.81877%0.766SS**  trans-174.9149.4135.9-86.9-26.6000107.5
810V31.1Very low33.5Very low120 Ų120137.3 Ų137.373%0.72776%0.757SS**  cis81.893.719-169.70000115.6
811S32.4Very low33.3Very low110 Ų110138 Ų13877%0.76975%0.747SS**SBendtrans65.5152.9150.4-55.40000121.4
812P33.2Very low33.1Very low126 Ų126141 Ų14182%0.81875%0.748SS**  trans-77.8164.4-179.7-12.530.9000114.2
813P37.2Very low33Very low125 Ų125143.9 Ų143.981%0.81276%0.755SS**  trans-99.6168.4-16239.1-37.3000115
814N35.4Very low32.9Very low136 Ų136139.6 Ų139.673%0.72775%0.748SS**  trans-147122.4159.5-142.47.2000114.5
815T35.2Very low33Very low119 Ų119134.7 Ų134.773%0.7375%0.749SS**  trans56.6138.7156.5-3.70000124.5
816A34.5Very low33Very low89 Ų89130.6 Ų130.674%0.73674%0.74SS**  trans71.4141.1146.100000118.9
817M35.1Very low33.3Very low165 Ų165132 Ų13281%0.81375%0.75SS**  cis-164.514810.3-119.3-96.7-173.100111.4
818R32.7Very low33.5Very low229 Ų229127.8 Ų127.886%0.86474%0.744SS**  trans69.4150147-163.8-178.2-169.7146.9-0.5119
819K32.2Very low34.3Very low151 Ų151129.3 Ų129.366%0.65775%0.751SS**  cis-173.1169.8-34.1-169.3175.3174.7-111.90108
820E34.1Very low34.4Very low105 Ų105128.8 Ų128.849%0.49174%0.744SS.*  trans88.1108.2169.8-50.4-68.4119.100113.5
821R32.7Very low34.7Very low177 Ų177130.8 Ų130.867%0.66875%0.745SS**  89149.476.1-81.2-170.8-169.4148.8-15.4111.8
822F33.8Very low34.8Very low158 Ų158132.2 Ų132.269%0.69374%0.74SS**  cis-163.8158.321.6-133.3-32.2000113.4
823L35Very low35.2Very low160 Ų160131 Ų13184%0.83873%0.732SS**  trans69146156.8-55.6171.7000119.3
824G33.2Very low35.5Very low64 Ų64130.9 Ų130.966%0.6673%0.731SS**  cis-166.7143.5-6.500000111.1
825S33.9Very low35.6Very low128 Ų128131.7 Ų131.790%0.89574%0.74SS**  73.6142.894.5-123.40000115.8
826A35.2Very low35.6Very low78 Ų78132.9 Ų132.965%0.64574%0.738SS**  cis-161.116311.100000115
827S34.1Very low35.7Very low124 Ų124139.2 Ų139.287%0.86774%0.743SS**  trans38.3156.8140.959.90000123.9
828G32.8Very low35.6Very low68 Ų68134.7 Ų134.770%0.70174%0.738SS**  cis-175.5-175.216.400000115.3
829P44.7Very low35.7Very low131 Ų131130.5 Ų130.585%0.85173%0.732SS**  trans-144.9-152.5-130.946.4-27.8000118.7
830Q34.6Very low35.8Very low142 Ų142131.4 Ų131.466%0.66474%0.738SS**  trans83.5157.9168.3-118.2-165.5-4.100115.6H832Q830-H832 PolarHBondContact NE2-CD2 3.21Å; Q830-H832 PolarHBondContact NE2-NE2 2.79Å
831Q36.2Very low35.7Very low162 Ų162130.2 Ų130.276%0.75774%0.742SS**  cis-147.8-175.811.2-62.1-160.7-12.500110.5
832H34.1Very low35.7Very low140 Ų140132.3 Ų132.365%0.64875%0.751SS**  -153.8145.5-54.7-105.9-69.6000111.9Q830Q830-H832 PolarHBondContact NE2-CD2 3.21Å; Q830-H832 PolarHBondContact NE2-NE2 2.79Å
833P41.8Very low35.6Very low101 Ų101127.9 Ų127.966%0.65675%0.75SS**  trans-114.4-165.5170.644.4-35.4000112
834P44.4Very low35.6Very low122 Ų122128.3 Ų128.379%0.79275%0.748SS**  cis-138.4-164045.2-26.1000116
835V36.7Very low35.6Very low152 Ų152130 Ų13092%0.92175%0.746SS**  trans-148.5177.3164.3107.40000113.2
836Q35.9Very low35.5Very low145 Ų145131.5 Ų131.568%0.67874%0.736SS**  trans-158.7161.7-153.5-159.5-175.479.300117.1
837R36.3Very low35.4Very low222 Ų222134.6 Ų134.684%0.83874%0.737SS**  trans91.5149.9158.9-50.9177-170.7-174.71.9118.5
838G34.3Very low35.4Very low70 Ų70138.7 Ų138.772%0.72274%0.735SS**  cis164.3177.6-2.800000111.5
839L33.7Very low35.2Very low141 Ų141140.6 Ų140.674%0.73874%0.737SS**  cis-174.5146.6-14.5-137.965.3000113
840H35.4Very low35.2Very low169 Ų169139.3 Ų139.378%0.78273%0.729SS**  trans69.6169.5154.3-64.1-28000123.7
841S31.3Very low35.4Very low80 Ų80139.7 Ų139.756%0.55974%0.735SS**  cis179.6165.6-37.9-165.10000113.7
842Y32.4Very low35.5Very low221 Ų221139.9 Ų139.987%0.86774%0.738SS**  trans65158.3163.1-64.9-71.8000120.8
843G32.7Very low36Very low66 Ų66138.4 Ų138.468%0.6874%0.741SS**  cis153.4144.6-16.600000117.5
844Q34Very low35.6Very low168 Ų168139.7 Ų139.779%0.78575%0.747SS**  trans69162.6156.7-61.4-164.7-2.100120.9
845T33.2Very low35.1Very low100 Ų100139.2 Ų139.261%0.61375%0.746SS**  cis-172173.1-24.941.90000111.9
846K31.4Very low35Very low159 Ų159137.9 Ų137.969%0.69174%0.739SS**  110.7134.6124.4-99.6168.9-179.31740124.3
847H32.9Very low34.9Very low143 Ų143136.4 Ų136.466%0.66274%0.744SS**  trans66159.1152.5-57.1-54.5000119.7
848Y33.7Very low34.9Very low211 Ų211130.3 Ų130.383%0.82774%0.736SS**  cis-139.7179.116.9-119.5-80.2000114.2
849S29.7Very low34.9Very low107 Ų107132 Ų13275%0.74874%0.737SS**  trans-138.4-154.9175.9-47.90000108.8
850P43.9Very low34.9Very low104 Ų104132.7 Ų132.768%0.67574%0.741SS**  cis-141.6-144.8-10.741.9-19.8000114.5
851L38.6Very low34.9Very low150 Ų150132.2 Ų132.279%0.78574%0.744SS**  trans99.2142.7162.5-50.2172.4000117.8
852M39.8Very low35Very low166 Ų166133.3 Ų133.382%0.81875%0.752SS**  cis-162.6174.5-28.3-103.4-30.1-175.300110.4
853P43.1Very low35.1Very low110 Ų110129 Ų12971%0.71475%0.748SS**  trans-133-178.8-151.745.6-30.4000117.4
854T34.9Very low35Very low127 Ų127130.8 Ų130.878%0.77975%0.749SS**  trans-149.6130.7160.952.10000113.7
855S32.6Very low35Very low112 Ų112129 Ų12978%0.78375%0.745SS**  trans54.5141134.8-47.70000121
856T34.9Very low34.8Very low125 Ų125128.6 Ų128.677%0.76775%0.746SS**  cis-153.7156.912.547.70000112.4
857S34.1Very low34.8Very low113 Ų113128.6 Ų128.679%0.7975%0.753SS**  trans57.3131.5155.9-87.20000120.2
858S35.5Very low34.6Very low94 Ų94127.1 Ų127.166%0.65776%0.759SS**  cis121.4124.312.661.30000109.4
859S35.2Very low34.6Very low107 Ų107122.1 Ų122.175%0.74875%0.754SS**  cis-155.9153.4-4.8-73.50000110.2
860N34.1Very low34.6Very low155 Ų155123.6 Ų123.683%0.82975%0.754SS**  trans-106.5131.3163.6-76.3-32.6000109.5S862N860-S862 WeakPolarHBondContact O-CB 3.42Å
861D35.5Very low34Very low159 Ų159125.9 Ų125.985%0.8576%0.76SS**  trans-100.1120158.1-61.3-43.5000107
862S33.1Very low33.5Very low102 Ų102121.8 Ų121.871%0.71376%0.755SS**  cis7784.815.5-154.60000116.2N860N860-S862 WeakPolarHBondContact O-CB 3.42Å
863V34Very low32.9Very low131 Ų131122.9 Ų122.979%0.79476%0.763SS**  trans-159.4117.4145.1-98.50000106.3
864C31.2Very low32.2Very low104 Ų104121 Ų12170%0.70376%0.763SS**  78.6140.582.6-81.80000113.1
865D32.7Very low31.9Very low130 Ų130120.5 Ų120.570%0.69577%0.765SS**  cis-142.4146.911.4-105.3-44.8000111.5
866S30.6Very low31.8Very low91 Ų91119.8 Ų119.864%0.63676%0.76SS**  54.5126.394.3-49.40000113.6
867L31.3Very low31.7Very low160 Ų160120.8 Ų120.884%0.83876%0.759SS**  cis-142157.648.3-60.5157.2000110.9
868S28.8Very low31.5Very low112 Ų112121.4 Ų121.478%0.78376%0.758SS**  cis82.362.813.8-580000119.4
869S32.4Very low31.4Very low105 Ų105121.1 Ų121.173%0.73476%0.761SS**  trans-165.3126.7153.652.40000108.7
870N29.8Very low31.1Very low139 Ų139123.1 Ų123.174%0.74376%0.763SS**  cis76.4119.632-156.328000114.1
871N31.7Very low31.2Very low151 Ų151121.1 Ų121.181%0.80776%0.762SS**  trans62.7160.2-171.4-47.3-48.7000114
872G27.4Very low31.1Very low65 Ų65117 Ų11767%0.6776%0.757SS**  cis143.5132.2-6.300000112.4
873L28Very low31.1Very low189 Ų189119.4 Ų119.499%0.9976%0.762SS**  trans72.1154.2172.8-56162.8000117.9
874G28Very low31.2Very low70 Ų70118.7 Ų118.772%0.72276%0.762SS**  trans90.7111.3179.700000113
875S29Very low31.4Very low116 Ų116117.2 Ų117.281%0.81177%0.765SS**  65126.655.7-156.70000112
876S31.6Very low31.4Very low97 Ų97118.6 Ų118.668%0.67877%0.772SS**  cis-147.9139.434.261.60000113.8
877I31Very low31.7Very low147 Ų147120.6 Ų120.675%0.75478%0.781SS**  67.1131.9101.7-57.4169.7000113.8
878V31.6Very low31.8Very low125 Ų125116.8 Ų116.876%0.75877%0.772SS**  cis-124.8143.811.7-102.50000109.7
879A31.8Very low32.1Very low88 Ų88119.5 Ų119.573%0.72777%0.772SS**  69.7144.266.700000114.3
880N30Very low32.1Very low149 Ų149122.2 Ų122.280%0.79777%0.773SS**  cis-150.2164.418.2-161.739.8000113.9
881S35.8Very low32.2Very low113 Ų113121.9 Ų121.979%0.7977%0.771SS**  trans-147.9165.7176.561.80000113.2
882G32.5Very low32.1Very low73 Ų73119.5 Ų119.575%0.75377%0.766SS**  trans160.5134.1169.600000112.1
883N33.8Very low32.2Very low153 Ų153120.7 Ų120.782%0.81877%0.769SS**  cis107124.211.8-175.874.9000114.7
884S35.5Very low32.3Very low115 Ų115123 Ų12380%0.80476%0.764SS**  trans168.3144.2134.9-75.40000113
885G35.5Very low32.5Very low73 Ų73126.2 Ų126.275%0.75377%0.765SS**  trans164109.617000000114.5
886N33.9Very low32.7Very low160 Ų160125.8 Ų125.886%0.85676%0.758SS**  trans-75.5176.7-175-55.8-40.1000112.6
887V36.8Very low32.7Very low133 Ų133127.4 Ų127.481%0.80676%0.759SS**  cis-168143.944.5176.60000111.9
888A33.7Very low32.7Very low79 Ų79125.1 Ų125.165%0.65375%0.748SS**  trans61162.1155.600000120.9
889Q33.6Very low32.6Very low170 Ų170129 Ų12979%0.79475%0.751SS**  cis-165.7151.3-18.8-109.2170.2-28.300110
890H32.3Very low32.6Very low162 Ų162128.4 Ų128.475%0.7575%0.746SS**  trans62.8150.5157-84.9-144.2000118.4
891L31.7Very low32.4Very low132 Ų132129.3 Ų129.369%0.69175%0.75SS**  cis-150.1129-9.8-89.9153.2000105.8
892S30.3Very low32.1Very low101 Ų101131 Ų13171%0.70675%0.749SS**  43.4144.393.978.60000118.4
893A30.2Very low32Very low89 Ų89132.4 Ų132.474%0.73675%0.746SS**  cis-178.8170.6-16.600000110.7
894R30.6Very low31.9Very low237 Ų237129.1 Ų129.189%0.89474%0.735SS**  trans76.6167.9165.3-60.8178.8170.7173.9-4119
895N30.9Very low31.8Very low139 Ų139132.4 Ų132.474%0.74374%0.738SS**  175.2148.8-56.1-115.820.3000112.1
896T33Very low31.5Very low106 Ų106135.6 Ų135.665%0.6574%0.738SS**  trans68.9134.1143.151.30000124
897N32.8Very low31.4Very low131 Ų131132.8 Ų132.870%0.70173%0.731SS**  trans82150.9141.7-74.937.1000118.9
898D30.3Very low31.1Very low100 Ų100131.2 Ų131.254%0.53573%0.726SS.*  cis-157.3163.514.2-134.7-28.2000115.7
899Y30.3Very low30.8Very low206 Ų206135.5 Ų135.581%0.80874%0.737SS**  trans57.4162.4168.4-56.5-72.2000121.5
900A30.3Very low30.7Very low76 Ų76132.5 Ų132.563%0.62874%0.735SS**  cis-174.5152.1-44.400000112.2
901L25.9Very low30.6Very low167 Ų167131 Ų13187%0.87474%0.739SS**  trans60.6136.6163.5-80151.3000117
902I30Very low30.6Very low150 Ų150133.6 Ų133.677%0.76975%0.748SS**  -161.1164.967.5-86.1-175.9000111.3
903S30.8Very low30.6Very low101 Ų101136.7 Ų136.771%0.70676%0.755SS**  trans-27.1160.6170.661.50000120.5
904S32.2Very low30.5Very low84 Ų84135.5 Ų135.559%0.58775%0.752SS**  cis178.3165.4-12.258.90000111.7
905Q32.6Very low30.7Very low184 Ų184130.5 Ų130.586%0.8675%0.75SS**  trans67.9162.7160.1-63.7167.477.600117.9
906N28.9Very low30.6Very low141 Ų141130.2 Ų130.275%0.75475%0.753SS**  -163.3154.5-51.8-159.910.5000108.9
907S32.4Very low30.3Very low101 Ų101130.5 Ų130.571%0.70676%0.758SS**  trans59.3162.1170.530.50000117.6
908S31Very low30.3Very low100 Ų100131.5 Ų131.570%0.69976%0.764SS**  cis-169.7131-3652.60000111.2
909L27.3Very low30.3Very low168 Ų168135.6 Ų135.688%0.8878%0.78SS**  trans51.5104.9153-63.6167.5000120.1
910S30.2Very low30.3Very low108 Ų108131.4 Ų131.476%0.75578%0.775SS**  trans-170.6128.4134.5-82.80000111.3H912S910-H912 PolarHBondContact O-N 3.38Å
911P32.1Very low30.4Very low129 Ų129133.8 Ų133.884%0.83878%0.782SS**  trans-90.993.3178.834.2-31.7000112
912H30.4Very low30.5Very low188 Ų188131.7 Ų131.787%0.8778%0.776SS**  trans-99.2103164.1-100.5-72.1000110.2S910S910-H912 PolarHBondContact O-N 3.38Å
913L31.8Very low30.5Very low166 Ų166128.1 Ų128.187%0.86977%0.769SS**  trans-90125165.7-77.2162.3000109.3
914G26.4Very low30.5Very low64 Ų64129.9 Ų129.966%0.6678%0.776SS**  trans-102.7-154.6150.800000109.5
915P35.5Very low30.5Very low132 Ų132132.5 Ų132.586%0.85779%0.788SS**  cis-119.9-154.1-9.840.4-25.6000111.2
916T28.4Very low30.4Very low133 Ų133131.6 Ų131.682%0.81679%0.788SS**  trans-94.2127.6-17545.40000114.3
917C28.1Very low30.6Very low111 Ų111130.1 Ų130.175%0.7579%0.787SS**  trans-132.7152146.7-42.30000106
918D31.6Very low30.6Very low153 Ų153131.3 Ų131.382%0.81880%0.795SS**  cis-137.315116.9-58.2-72000112
919E29.6Very low30.5Very low185 Ų185132.6 Ų132.686%0.86480%0.798SS**  trans-85.4152.1138-62.5-172.3100.400107
920V31.7Very low30.6Very low118 Ų118129.8 Ų129.872%0.71579%0.793SS**  cis-160.8129.144171.50000108.8
921V31.6Very low30.6Very low127 Ų127131.8 Ų131.877%0.7779%0.794SS**  trans-152.7127.5143.3177.40000110.7
922T28.8Very low30.5Very low123 Ų123130.5 Ų130.576%0.75579%0.788SS**  trans-55.5162.3169.438.10000115.9
923A29.4Very low30.4Very low74 Ų74128 Ų12861%0.61279%0.791SS**  cis-174.9166.5-8.800000110.7
924T29.7Very low30.3Very low139 Ų139123.7 Ų123.785%0.85379%0.785SS**  trans63.1151.116043.60000118.2
925T32.9Very low30.5Very low139 Ų139123.7 Ų123.785%0.85379%0.786SS**  cis-129.1-167.519.448.90000114.1
926L31.3Very low30.3Very low164 Ų164124.4 Ų124.486%0.85979%0.788SS**  trans-103.9165.2-158.1-78.5161.9000115.9
927P32Very low30.5Very low111 Ų111122 Ų12272%0.72178%0.782SS**  trans-93.8172.7-177.738.9-37.3000114.7
928S32.2Very low30.7Very low126 Ų126122.1 Ų122.188%0.88178%0.784SS**  trans-116.7141.9175.7-64.90000112.7
929V28.9Very low30.7Very low127 Ų127123.9 Ų123.977%0.7779%0.787SS**  trans-141134.8-175.1-176.40000111.7
930S31Very low30.8Very low109 Ų109120.1 Ų120.176%0.76278%0.781SS**  trans-160.7138.1162.252.60000108.3
931L28.4Very low30.9Very low150 Ų150119.9 Ų119.979%0.78578%0.78SS**  cis70.8131.925.9-56.9168.3000114.5
932S30.4Very low30.7Very low102 Ų102121.5 Ų121.571%0.71378%0.779SS**  cis-174.4175.9-14.6520000110.1
933C29.5Very low30.9Very low136 Ų136126 Ų12692%0.91978%0.784SS**  trans77.9145.6165.6-145.80000116.8
934G28.4Very low31.2Very low74 Ų74127.9 Ų127.976%0.76379%0.79SS**  cis166.5153.7-12.900000114.4
935G31.2Very low31.3Very low65 Ų65127.1 Ų127.167%0.6779%0.787SS**  trans129.4114.6175.400000112.7
936T30.5Very low31.2Very low146 Ų146126 Ų12690%0.89679%0.785SS**  75.9129.260.862.40000113.9
937A33.2Very low31.5Very low83 Ų83128.6 Ų128.669%0.68679%0.79SS**  cis-163.2178.21.600000112.7
938S31.7Very low31.5Very low113 Ų113131 Ų13179%0.7979%0.793SS**  trans65.2148.1165.522.40000117.2
939E32.7Very low31.7Very low190 Ų190131 Ų13189%0.88878%0.779SS**  cis-141.5167.59.2-119.8167.9143.700111.5
940S32.6Very low32.2Very low107 Ų107135.3 Ų135.375%0.74878%0.781SS**  trans-82.7176.4-178.163.80000112.8
941T31.8Very low32.7Very low113 Ų113136.3 Ų136.369%0.69378%0.778SS**  cis-145.1-16616-27.80000107.5
942E29.1Very low33.5Very low161 Ų161138.4 Ų138.475%0.75278%0.775SS**  cis-161.3-154.97.1-156.8145.9-122.900110.5
943Y31.6Very low35Very low218 Ų218135.1 Ų135.186%0.85575%0.75SS**  trans74.3141.4174.5-69.9-80.8000118.3
944P37Very low36.8Very low113 Ų113132.4 Ų132.473%0.73473%0.729SS**  trans-111.5175.6-170.642.8-36.2000114.7
945P31.5Very low38.9Very low122 Ų122133.5 Ų133.579%0.79272%0.717SS**  cis-120.7124.3-38.732.8-18.7000110.9
946S31.4Very low41.1Very low115 Ų115133.5 Ų133.580%0.80470%0.7SS**  trans-85.1155.9-168.7-94.90000116.3M948S946-M948 VanDerWaalsContact C-N 3.32Å; S946-M948 PolarHBondContact O-N 3.22Å
947K36Very low43.3Very low220 Ų220128.9 Ų128.996%0.95767%0.669SS**  trans-7167.9-176.4-63.8174.4-179.9172.30113.8
948M33.2Very low45.5Very low161 Ų161130.9 Ų130.979%0.79366%0.663SS**  trans-96.3-6.7-179.8-77.4-175.268.600116.1S946 R950S946-M948 VanDerWaalsContact C-N 3.32Å; S946-M948 PolarHBondContact O-N 3.22Å; M948-R950 PolarHBondContact O-N 3.19Å
949H36.1Very low47.9Very low127 Ų127131.4 Ų131.459%0.58865%0.647SS**Hα-helixtrans-69.4-37.4-165.2-122.393.2000115.7N951 R952 D953H949-N951 PolarHBondContact O-N 3.22Å; H949-R952 WeakPolarHBondContact O-CA 3.45Å; H949-R952 WeakPolarHBondContact O-CB 3.34Å; H949-R952 PolarHBondContact O-N 3.17Å; H949-D953 IonicContact CD2-OD1 2.71Å; H949-D953 PolarHBondContact O-N 3.31Å
950R39.2Very low50.3Low217 Ų217123.7 Ų123.782%0.81961%0.612SS**Hα-helixtrans-58.7-36.6-170.5-86.4-173.1171.5-177.8-3.7114.9M948 R952 V954M948-R950 PolarHBondContact O-N 3.19Å; R950-R952 VanDerWaalsContact C-N 3.34Å; R950-V954 PolarHBondContact O-N 2.89Å
951N42.4Very low52.9Low130 Ų130118.8 Ų118.870%0.69558%0.577SS**Hα-helixtrans-78.9-17.3176.4-96-5.6000113.4H949 N955H949-N951 PolarHBondContact O-N 3.22Å; N951-N955 PolarHBondContact O-ND2 3.27Å
952R43.7Very low55.2Low193 Ų193117.6 Ų117.673%0.72857%0.574SS**Hα-helixtrans-78.5-42.1170.6-128.6179.3-172-176.12.2110.4H949 R950 N955 Q956H949-R952 WeakPolarHBondContact O-CA 3.45Å; H949-R952 WeakPolarHBondContact O-CB 3.34Å; H949-R952 PolarHBondContact O-N 3.17Å; R950-R952 VanDerWaalsContact C-N 3.34Å; R952-N955 PolarHBondContact O-N 3.37Å; R952-Q956 WeakPolarHBondContact O-CB 3.47Å; R952-Q956 PolarHBondContact O-N 3.1Å
953D61.8Low57.8Low33 Ų33114.3 Ų114.318%0.17657%0.565CS.*Hα-helixtrans-53.1-55.7176.8-67.2-40.6000112.2H949 N955 Q956 I957 K1022H949-D953 IonicContact CD2-OD1 2.71Å; H949-D953 PolarHBondContact O-N 3.31Å; D953-N955 VanDerWaalsContact C-N 3.34Å; D953-N955 PolarHBondContact O-N 3.36Å; D953-Q956 WeakPolarHBondContact O-CB 3.34Å; D953-Q956 PolarHBondContact O-N 3.47Å; D953-I957 WeakPolarHBondContact O-CG1 3.34Å; D953-I957 PolarHBondContact O-N 2.85Å; D953-K1022 IonicContact OD1-NZ 3.18Å; D953-K1022 PolarHBondContact OD1-NZ 2.91Å; D953-K1022 IonicContact OD2-NZ 3.06Å; D953-K1022 PolarHBondContact OD2-NZ 2.62Å
954V67.2Low60.1Low80 Ų80104.7 Ų104.749%0.48553%0.532SS..Hα-helixtrans-62.2-39.7-176.3176.90000112.3R950 Q956 K958R950-V954 PolarHBondContact O-N 2.89Å; V954-Q956 VanDerWaalsContact C-N 3.27Å; V954-Q956 PolarHBondContact O-N 2.9Å; V954-K958 PolarHBondContact O-N 3.13Å
955N73.1Confident62.4Low96 Ų96103.6 Ų103.651%0.51352%0.524SS..Hα-helixtrans-77.2-11.6177.3-73.4-58.4000113.4N951 R952 D953 R959N951-N955 PolarHBondContact O-ND2 3.27Å; R952-N955 PolarHBondContact O-N 3.37Å; D953-N955 VanDerWaalsContact C-N 3.34Å; D953-N955 PolarHBondContact O-N 3.36Å; N955-R959 PolarHBondContact O-NE 3.17Å; N955-R959 PolarHBondContact O-NH2 2.97Å
956Q76.6Confident65.1Low66 Ų6698.1 Ų98.131%0.30849%0.488SS..Hα-helixtrans-84.1-50.7168.5-170.464.242.200109.9R952 D953 V954 K958 R959 D960R952-Q956 WeakPolarHBondContact O-CB 3.47Å; R952-Q956 PolarHBondContact O-N 3.1Å; D953-Q956 WeakPolarHBondContact O-CB 3.34Å; D953-Q956 PolarHBondContact O-N 3.47Å; V954-Q956 VanDerWaalsContact C-N 3.27Å; V954-Q956 PolarHBondContact O-N 2.9Å; Q956-K958 VanDerWaalsContact C-N 3.31Å; Q956-K958 PolarHBondContact O-N 3.44Å; Q956-R959 CarbonylContact O-C 3.6Å; Q956-R959 WeakPolarHBondContact O-CA 3.47Å; Q956-R959 WeakPolarHBondContact O-CB 3.35Å; Q956-R959 PolarHBondContact O-N 2.96Å; Q956-R959 VanDerWaalsContact OE1-CZ 3.24Å; Q956-D960 PolarHBondContact NE2-OD1 2.77Å; Q956-D960 VanDerWaalsContact O-CG 3.28Å; Q956-D960 PolarHBondContact O-N 2.83Å
957I77.8Confident68Low49 Ų4997.9 Ų97.925%0.25147%0.47SS..Hα-helixtrans-50.9-48.1177.3-68.9165.4000111.7D953 R959 D960 L961 H1020D953-I957 WeakPolarHBondContact O-CG1 3.34Å; D953-I957 PolarHBondContact O-N 2.85Å; I957-R959 VanDerWaalsContact C-N 3.3Å; I957-R959 PolarHBondContact O-N 3.42Å; I957-D960 PolarHBondContact O-N 3.31Å; I957-L961 HydrophobicContact CG2-CD1 4.03Å; I957-L961 VanDerWaalsContact O-CD1 3.31Å; I957-L961 WeakPolarHBondContact O-CD1 3.36Å; I957-L961 PolarHBondContact O-N 2.88Å; I957-H1020 HydrophobicContact CD1-CB 4.13Å; I957-H1020 HydrophobicContact CG1-CB 4.16Å; I957-H1020 HydrophobicContact CG2-CB 4.49Å; I957-H1020 VanDerWaalsContact CG2-CD2 3.46Å; I957-H1020 WeakPolarHBondContact CG2-CD2 3.47Å
958K79.7Confident70.8Confident125 Ų12587.4 Ų87.454%0.54342%0.424SS..Hα-helixtrans-61.7-34.2176.9-78-164.6170.6-168.10113.8V954 Q956 S962V954-K958 PolarHBondContact O-N 3.13Å; Q956-K958 VanDerWaalsContact C-N 3.31Å; Q956-K958 PolarHBondContact O-N 3.44Å; K958-S962 WeakPolarHBondContact O-CB 3.44Å; K958-S962 PolarHBondContact O-N 3.49Å; K958-S962 VanDerWaalsContact O-N 3.12Å; K958-S962 PolarHBondContact O-OG 3.3Å
959R82Confident73.8Confident124 Ų12483.9 Ų83.947%0.46840%0.402SS..Hα-helixtrans-72.4-45.9175.4-86.2179.2-68.4110.25.1111N955 Q956 I957 L961 S962 T963N955-R959 PolarHBondContact O-NE 3.17Å; N955-R959 PolarHBondContact O-NH2 2.97Å; Q956-R959 CarbonylContact O-C 3.6Å; Q956-R959 WeakPolarHBondContact O-CA 3.47Å; Q956-R959 WeakPolarHBondContact O-CB 3.35Å; Q956-R959 PolarHBondContact O-N 2.96Å; Q956-R959 VanDerWaalsContact OE1-CZ 3.24Å; I957-R959 VanDerWaalsContact C-N 3.3Å; I957-R959 PolarHBondContact O-N 3.42Å; R959-L961 VanDerWaalsContact C-N 3.27Å; R959-L961 PolarHBondContact O-N 3.45Å; R959-S962 WeakPolarHBondContact CA-OG 3.37Å; R959-S962 CarbonylContact O-C 3.29Å; R959-S962 WeakPolarHBondContact O-CA 3.38Å; R959-S962 PolarHBondContact O-N 2.97Å; R959-S962 PolarHBondContact O-OG 2.99Å; R959-T963 PolarHBondContact O-N 3.45Å; R959-T963 PolarHBondContact O-OG1 2.91Å
960D83.6Confident76.6Confident28 Ų2877.8 Ų77.815%0.1537%0.374CS..Hα-helixtrans-61.6-35.1-179.7-58.3-16.1000112Q956 I957 T963 G964 T965 A966Q956-D960 PolarHBondContact NE2-OD1 2.77Å; Q956-D960 VanDerWaalsContact O-CG 3.28Å; Q956-D960 PolarHBondContact O-N 2.83Å; I957-D960 PolarHBondContact O-N 3.31Å; D960-T963 WeakPolarHBondContact CA-OG1 3.33Å; D960-T963 PolarHBondContact O-OG1 2.95Å; D960-G964 PolarHBondContact O-N 3.02Å; D960-T965 PolarHBondContact O-N 2.88Å; D960-T965 PolarHBondContact O-OG1 3.22Å; D960-A966 HydrophobicContact CB-CB 3.85Å; D960-A966 PolarHBondContact O-N 2.72Å
961L85.3Confident79.1Confident3 Ų371 Ų712%0.01635%0.354CS..Hα-helixtrans-72.1-39.2171.6-92.876.7000112.2I957 R959 T963 G964 A966 R994 Y995 L1002 H1020I957-L961 HydrophobicContact CG2-CD1 4.03Å; I957-L961 VanDerWaalsContact O-CD1 3.31Å; I957-L961 WeakPolarHBondContact O-CD1 3.36Å; I957-L961 PolarHBondContact O-N 2.88Å; R959-L961 VanDerWaalsContact C-N 3.27Å; R959-L961 PolarHBondContact O-N 3.45Å; L961-T963 VanDerWaalsContact C-N 3.28Å; L961-T963 PolarHBondContact O-N 3.12Å; L961-G964 PolarHBondContact O-N 2.89Å; L961-A966 HydrophobicContact CD1-CB 3.47Å; L961-A966 VanDerWaalsContact CD1-CB 3.47Å; L961-A966 HydrophobicContact CG-CB 4.2Å; L961-R994 WeakPolarHBondContact O-CA 3.43Å; L961-R994 WeakPolarHBondContact O-CB 3.32Å; L961-Y995 HydrophobicContact CB-CD2 4.05Å; L961-Y995 HydrophobicContact CB-CE2 3.75Å; L961-Y995 HydrophobicContact CD2-CD1 3.99Å; L961-Y995 HydrophobicContact CD2-CD2 4.21Å; L961-Y995 HydrophobicContact CD2-CE1 3.61Å; L961-Y995 HydrophobicContact CD2-CE2 3.86Å; L961-Y995 HydrophobicContact CD2-CG 4.28Å; L961-Y995 HydrophobicContact CG-CE2 4.46Å; L961-L1002 HydrophobicContact CD2-CD1 4.34Å; L961-L1002 HydrophobicContact CD2-CD2 3.68Å; L961-H1020 WeakPolarHBondContact CD1-CE1 3.08Å
962S82.2Confident81.5Confident89 Ų8971.3 Ų71.362%0.62235%0.346SS*.Hα-helixtrans-68.3-25.9177.672.30000113.6K958 R959K958-S962 WeakPolarHBondContact O-CB 3.44Å; K958-S962 PolarHBondContact O-N 3.49Å; K958-S962 VanDerWaalsContact O-N 3.12Å; K958-S962 PolarHBondContact O-OG 3.3Å; R959-S962 WeakPolarHBondContact CA-OG 3.37Å; R959-S962 CarbonylContact O-C 3.29Å; R959-S962 WeakPolarHBondContact O-CA 3.38Å; R959-S962 PolarHBondContact O-N 2.97Å; R959-S962 PolarHBondContact O-OG 2.99Å
963T81.9Confident83.9Confident91 Ų9164.6 Ų64.656%0.55833%0.332SS*.THydrogen-bonded Turntrans-92-4.817450.10000113.2R959 D960 L961 T965R959-T963 PolarHBondContact O-N 3.45Å; R959-T963 PolarHBondContact O-OG1 2.91Å; D960-T963 WeakPolarHBondContact CA-OG1 3.33Å; D960-T963 PolarHBondContact O-OG1 2.95Å; L961-T963 VanDerWaalsContact C-N 3.28Å; L961-T963 PolarHBondContact O-N 3.12Å; T963-T965 PolarHBondContact O-N 2.84Å; T963-T965 PolarHBondContact OG1-OG1 2.86Å
964G81.4Confident85.3Confident17 Ų1764 Ų6418%0.17533%0.33CS..THydrogen-bonded Turntrans63.122.7-174.900000113.9D960 L961 N992D960-G964 PolarHBondContact O-N 3.02Å; L961-G964 PolarHBondContact O-N 2.89Å; G964-N992 CarbonylContact O-C 3.6Å; G964-N992 VanDerWaalsContact O-C 3.29Å; G964-N992 WeakPolarHBondContact O-CA 3.48Å
965T84.3Confident86.5Confident90 Ų9068 Ų6855%0.55235%0.345SS*.  trans-100.7-4.8-179.2550000113D960 T963D960-T965 PolarHBondContact O-N 2.88Å; D960-T965 PolarHBondContact O-OG1 3.22Å; T963-T965 PolarHBondContact O-N 2.84Å; T963-T965 PolarHBondContact OG1-OG1 2.86Å
966A88.2Confident87.1Confident6 Ų664.6 Ų64.65%0.0533%0.333CS..EExtended strand (participates in β ladder)trans-64.2150.1179.700000112.5D960 L961 N992 V993D960-A966 HydrophobicContact CB-CB 3.85Å; D960-A966 PolarHBondContact O-N 2.72Å; L961-A966 HydrophobicContact CD1-CB 3.47Å; L961-A966 VanDerWaalsContact CD1-CB 3.47Å; L961-A966 HydrophobicContact CG-CB 4.2Å; A966-N992 PolarHBondContact O-N 3.15Å; A966-V993 HydrophobicContact CB-CB 4.19Å; A966-V993 WeakPolarHBondContact O-CB 3.43Å; A966-V993 PolarHBondContact O-N 3.17Å
967R93.1Very high87.5Confident111 Ų11170.5 Ų70.542%0.41936%0.36SS..EExtended strand (participates in β ladder)trans-121.9143.4169.2-52.1-173.2-54.8165.56108.8I989 I990 T991 L1021R967-I989 HydrophobicContact CB-CG2 4.42Å; R967-I990 WeakPolarHBondContact CA-O 3.23Å; R967-T991 HydrophobicContact CG-CG2 4.28Å; R967-L1021 HydrophobicContact CB-CB 4.4Å; R967-L1021 HydrophobicContact CB-CD1 4.27Å; R967-L1021 PolarHBondContact O-N 2.96Å
968V94.7Very high87.9Confident0 Ų071.2 Ų71.20%037%0.369CS..EExtended strand (participates in β ladder)trans-130.5150.8177.4-52.90000110.7I989 I990 V993 V1018 E1019 H1020V968-I989 WeakPolarHBondContact O-CA 3.24Å; V968-I990 HydrophobicContact CG2-CB 3.96Å; V968-I990 PolarHBondContact N-O 2.95Å; V968-I990 PolarHBondContact O-N 3.08Å; V968-V993 HydrophobicContact CG1-CB 4.39Å; V968-V993 HydrophobicContact CG1-CG1 4.12Å; V968-V993 HydrophobicContact CG1-CG2 4.22Å; V968-V993 HydrophobicContact CG2-CG2 4.06Å; V968-V1018 HydrophobicContact CB-CB 3.84Å; V968-V1018 HydrophobicContact CB-CG1 4.48Å; V968-V1018 HydrophobicContact CB-CG2 4.05Å; V968-V1018 HydrophobicContact CG1-CG2 4.21Å; V968-V1018 HydrophobicContact CG2-CB 3.65Å; V968-V1018 HydrophobicContact CG2-CG1 3.74Å; V968-V1018 HydrophobicContact CG2-CG2 3.92Å; V968-E1019 CarbonylContact C-O 3.5Å; V968-E1019 WeakPolarHBondContact CA-O 3.46Å; V968-E1019 WeakPolarHBondContact CB-O 3.37Å; V968-H1020 WeakPolarHBondContact CG1-ND1 3.32Å
969R94.9Very high88Confident86 Ų8674 Ų7433%0.32539%0.385SS..EExtended strand (participates in β ladder)trans-98134.9168.5-179.9-169.1-70.4134.3-7.7108.6Q988 I989 V1018 E1019 L1021R969-Q988 WeakPolarHBondContact CA-O 3.28Å; R969-I989 HydrophobicContact CB-CD1 3.85Å; R969-I989 HydrophobicContact CG-CD1 3.93Å; R969-V1018 CarbonylContact O-C 3.43Å; R969-V1018 VanDerWaalsContact O-CA 3.25Å; R969-V1018 WeakPolarHBondContact O-CA 3.4Å; R969-E1019 PolarHBondContact N-O 3.37Å; R969-E1019 IonicContact NH1-OE2 3.93Å; R969-E1019 PolarHBondContact NH1-OE2 3.06Å; R969-E1019 PolarHBondContact O-N 3.11Å; R969-L1021 HydrophobicContact CB-CD2 4.07Å; R969-L1021 HydrophobicContact CB-CG 4.4Å
970T95.3Very high88.4Confident0 Ų070 Ų700%038%0.381CS..EExtended strand (participates in β ladder)trans-72.6135.4172.555.60000111.1F984 E985 N987 Q988 I990 V1018T970-F984 HydrophobicContact CG2-CB 4.08Å; T970-F984 HydrophobicContact CG2-CD1 4.4Å; T970-F984 HydrophobicContact CG2-CD2 3.25Å; T970-F984 HydrophobicContact CG2-CE2 3.64Å; T970-F984 HydrophobicContact CG2-CG 3.67Å; T970-F984 HydrophobicContact CG2-CZ 4.37Å; T970-E985 WeakPolarHBondContact CB-O 3.33Å; T970-E985 PolarHBondContact OG1-O 3.48Å; T970-N987 PolarHBondContact O-N 2.92Å; T970-N987 PolarHBondContact OG1-N 3.41Å; T970-N987 VanDerWaalsContact OG1-N 3.11Å; T970-Q988 HydrophobicContact CG2-CB 4.45Å; T970-Q988 PolarHBondContact N-O 3.2Å; T970-Q988 PolarHBondContact OG1-N 3.37Å; T970-Q988 PolarHBondContact OG1-O 3.36Å; T970-I990 HydrophobicContact CG2-CD1 3.73Å; T970-I990 HydrophobicContact CG2-CG1 4Å; T970-V1018 HydrophobicContact CG2-CG1 4.3Å
971L93.1Very high88.8Confident75 Ų7570 Ų7039%0.39338%0.38SS..SBendtrans-96.8-31.1179.2-64.1176.2000112.2Y1017 E1019L971-Y1017 PolarHBondContact N-O 2.81Å; L971-E1019 HydrophobicContact CD1-CB 4.31Å; L971-E1019 HydrophobicContact CD2-CB 4.01Å; L971-E1019 HydrophobicContact CG-CB 4.27Å
972Y92.9Very high89.2Confident135 Ų13570 Ų7053%0.52938%0.381SS..SBendtrans-131.1164.6-178.8-47.4-68.8000110.3F984 Y1017Y972-F984 WeakPolarHBondContact O-CD2 3.17Å; Y972-F984 WeakPolarHBondContact O-CE2 3.26Å; Y972-Y1017 HydrophobicContact CD2-CD1 4.24Å; Y972-Y1017 HydrophobicContact CD2-CD2 4.36Å; Y972-Y1017 HydrophobicContact CD2-CG 4.13Å
973A92.8Very high89.8Confident52 Ų5269.2 Ų69.243%0.4338%0.375SS..  trans-75.3145.5169.600000110.1F984 P986 Y1017A973-F984 CarbonylContact C-O 3.48Å; A973-F984 VanDerWaalsContact CA-O 3.29Å; A973-F984 WeakPolarHBondContact CA-O 3.38Å; A973-P986 HydrophobicContact CB-CG 4.45Å; A973-Y1017 WeakPolarHBondContact O-CE1 3.26Å
974C91.2Very high90.4Very high20 Ų2065.2 Ų65.214%0.13535%0.35CS..BIsolated β-bridgetrans-136.7139.3172.8-172.90000109.2S983 F984 Y1017C974-S983 CarbonylContact O-C 3.42Å; C974-S983 WeakPolarHBondContact O-CA 3.22Å; C974-F984 HydrophobicContact CB-CD1 4.05Å; C974-F984 HydrophobicContact CB-CD2 3.87Å; C974-F984 HydrophobicContact CB-CE1 3.63Å; C974-F984 HydrophobicContact CB-CE2 3.46Å; C974-F984 VanDerWaalsContact CB-CE2 3.46Å; C974-F984 HydrophobicContact CB-CG 4.17Å; C974-F984 HydrophobicContact CB-CZ 3.33Å; C974-F984 PolarHBondContact N-O 2.87Å; C974-F984 PolarHBondContact O-N 2.59Å; C974-Y1017 HydrophobicContact CB-CD1 4.13Å; C974-Y1017 HydrophobicContact CB-CE1 4.34Å
975M92.6Very high91Very high165 Ų16570 Ų7081%0.81337%0.367SS*.  trans-114.5122.8165.4-62-169.6-58.500106.8
976G86.4Confident91.5Very high24 Ų2468.2 Ų68.225%0.24736%0.358CS..  trans-70.1132.9176.500000111.4E981 S983G976-E981 VanDerWaalsContact CA-CB 3.5Å; G976-E981 VanDerWaalsContact CA-OE2 3.31Å; G976-E981 WeakPolarHBondContact CA-OE2 3.43Å; G976-S983 PolarHBondContact N-OG 2.8Å
977E84.9Confident91.7Very high191 Ų19173.5 Ų73.589%0.89339%0.385SS*.SBendtrans-84.5-25.6179.4-62.4-169.7178.600112E981E977-E981 PolarHBondContact N-OE2 2.64Å
978S85.3Confident91.7Very high63 Ų6371.3 Ų71.344%0.44138%0.379SS..SBendtrans-114.7164.8173.677.30000113.9G980 E981S978-G980 PolarHBondContact O-N 2.78Å; S978-G980 VanDerWaalsContact O-N 3.15Å; S978-G980 PolarHBondContact OG-N 2.79Å; S978-E981 WeakPolarHBondContact CB-OE1 3.34Å; S978-E981 PolarHBondContact N-OE1 3.08Å; S978-E981 PolarHBondContact O-N 2.77Å; S978-E981 PolarHBondContact OG-OE1 2.85Å
979E82.5Confident91.8Very high185 Ų18574.4 Ų74.486%0.86440%0.395SS*.THydrogen-bonded Turntrans-59.1-24.8173.9-71.9-164.2130.600113.2K1009E979-K1009 WeakPolarHBondContact O-CE 3.44Å; E979-K1009 PolarHBondContact O-NZ 3.12Å
980G89Confident91.8Very high38 Ų3870.3 Ų70.339%0.39238%0.38SS..THydrogen-bonded Turntrans-76.6-14.8-17900000115S978 G1011 L1012S978-G980 PolarHBondContact O-N 2.78Å; S978-G980 VanDerWaalsContact O-N 3.15Å; S978-G980 PolarHBondContact OG-N 2.79Å; G980-G1011 CarbonylContact O-C 3.58Å; G980-G1011 WeakPolarHBondContact O-CA 3.35Å; G980-L1012 PolarHBondContact O-N 2.87Å
981E93.1Very high91.7Very high29 Ų2972.8 Ų72.814%0.13640%0.395CS..BIsolated β-bridgetrans-92.6158.5-176.6-72.3152.8-105.700113G976 E977 S978 W1001 K1009 L1012G976-E981 VanDerWaalsContact CA-CB 3.5Å; G976-E981 VanDerWaalsContact CA-OE2 3.31Å; G976-E981 WeakPolarHBondContact CA-OE2 3.43Å; E977-E981 PolarHBondContact N-OE2 2.64Å; S978-E981 WeakPolarHBondContact CB-OE1 3.34Å; S978-E981 PolarHBondContact N-OE1 3.08Å; S978-E981 PolarHBondContact O-N 2.77Å; S978-E981 PolarHBondContact OG-OE1 2.85Å; E981-W1001 HydrophobicContact CG-CH2 4.25Å; E981-W1001 HydrophobicContact CG-CZ3 4.17Å; E981-K1009 PolarHBondContact O-NZ 2.77Å; E981-L1012 HydrophobicContact CG-CB 4.23Å
982L92.7Very high91.7Very high4 Ų473 Ų732%0.02140%0.397CS..PPolyproline II helixtrans-99.7121.8169.6-71.1-177000111.2F984 I990 G1004 L1006 K1009 L1012 I1013L982-F984 HydrophobicContact CB-CD1 4.12Å; L982-F984 WeakPolarHBondContact O-CD1 3.45Å; L982-F984 WeakPolarHBondContact O-CE1 3.14Å; L982-I990 HydrophobicContact CD1-CD1 4.5Å; L982-I990 HydrophobicContact CD1-CG2 4.2Å; L982-G1004 WeakPolarHBondContact CD1-O 3.33Å; L982-L1006 HydrophobicContact CD1-CB 3.92Å; L982-K1009 HydrophobicContact CD2-CB 3.84Å; L982-K1009 HydrophobicContact CD2-CD 3.87Å; L982-K1009 HydrophobicContact CD2-CG 3.77Å; L982-L1012 PolarHBondContact N-O 2.85Å; L982-I1013 HydrophobicContact CB-CG1 4.37Å; L982-I1013 HydrophobicContact CD1-CD1 4.12Å; L982-I1013 HydrophobicContact CD1-CG1 3.93Å; L982-I1013 HydrophobicContact CG-CG1 4.5Å
983S94.7Very high91.7Very high72 Ų7266.6 Ų66.650%0.50337%0.372SS..PPolyproline II helixtrans-79135161.3-510000109.9C974 G976C974-S983 CarbonylContact O-C 3.42Å; C974-S983 WeakPolarHBondContact O-CA 3.22Å; G976-S983 PolarHBondContact N-OG 2.8Å
984F95.5Very high91.7Very high6 Ų668.1 Ų68.13%0.02637%0.366CS..BIsolated β-bridgetrans-154.5154.6-177.752.7-102.6000112.7T970 Y972 A973 C974 L982 I990 L1006 I1013 Y1017T970-F984 HydrophobicContact CG2-CB 4.08Å; T970-F984 HydrophobicContact CG2-CD1 4.4Å; T970-F984 HydrophobicContact CG2-CD2 3.25Å; T970-F984 HydrophobicContact CG2-CE2 3.64Å; T970-F984 HydrophobicContact CG2-CG 3.67Å; T970-F984 HydrophobicContact CG2-CZ 4.37Å; Y972-F984 WeakPolarHBondContact O-CD2 3.17Å; Y972-F984 WeakPolarHBondContact O-CE2 3.26Å; A973-F984 CarbonylContact C-O 3.48Å; A973-F984 VanDerWaalsContact CA-O 3.29Å; A973-F984 WeakPolarHBondContact CA-O 3.38Å; C974-F984 HydrophobicContact CB-CD1 4.05Å; C974-F984 HydrophobicContact CB-CD2 3.87Å; C974-F984 HydrophobicContact CB-CE1 3.63Å; C974-F984 HydrophobicContact CB-CE2 3.46Å; C974-F984 VanDerWaalsContact CB-CE2 3.46Å; C974-F984 HydrophobicContact CB-CG 4.17Å; C974-F984 HydrophobicContact CB-CZ 3.33Å; C974-F984 PolarHBondContact N-O 2.87Å; C974-F984 PolarHBondContact O-N 2.59Å; L982-F984 HydrophobicContact CB-CD1 4.12Å; L982-F984 WeakPolarHBondContact O-CD1 3.45Å; L982-F984 WeakPolarHBondContact O-CE1 3.14Å; F984-I990 HydrophobicContact CD1-CD1 3.95Å; F984-I990 HydrophobicContact CE1-CD1 4.27Å; F984-I990 HydrophobicContact CG-CD1 4.33Å; F984-L1006 HydrophobicContact CB-CD2 3.59Å; F984-I1013 HydrophobicContact CE1-CB 4.46Å; F984-I1013 HydrophobicContact CE1-CG2 3.83Å; F984-I1013 HydrophobicContact CZ-CG2 3.99Å; F984-Y1017 HydrophobicContact CE2-CD1 4.19Å; F984-Y1017 HydrophobicContact CZ-CD1 4.28Å
985E94.2Very high91.7Very high117 Ų11772.1 Ų72.155%0.54738%0.379SS..  trans-99.6161.1173.6-70.4-63159.700111.2T970 Q988T970-E985 WeakPolarHBondContact CB-O 3.33Å; T970-E985 PolarHBondContact OG1-O 3.48Å; E985-Q988 HydrophobicContact CB-CG 4.27Å; E985-Q988 WeakPolarHBondContact O-CB 3.34Å; E985-Q988 WeakPolarHBondContact O-CG 3.39Å; E985-Q988 PolarHBondContact O-N 3.13Å
986P93.5Very high91.6Very high54 Ų5465.7 Ų65.735%0.35135%0.351SS..THydrogen-bonded Turntrans-58.6148.9175.8-21.231.7000113.3A973 Q988A973-P986 HydrophobicContact CB-CG 4.45Å; P986-Q988 PolarHBondContact O-N 2.9Å
987N92.2Very high91.6Very high117 Ų11773.9 Ų73.963%0.62638%0.382SS*.THydrogen-bonded Turntrans64.85.3-178-55.6-80.7000116.4T970T970-N987 PolarHBondContact O-N 2.92Å; T970-N987 PolarHBondContact OG1-N 3.41Å; T970-N987 VanDerWaalsContact OG1-N 3.11Å
988Q95Very high91.6Very high64 Ų6469.5 Ų69.530%0.29936%0.361SS..  trans-68.9149.6167.5-68.3-176.8-20.600110.7R969 T970 E985 P986 L1006R969-Q988 WeakPolarHBondContact CA-O 3.28Å; T970-Q988 HydrophobicContact CG2-CB 4.45Å; T970-Q988 PolarHBondContact N-O 3.2Å; T970-Q988 PolarHBondContact OG1-N 3.37Å; T970-Q988 PolarHBondContact OG1-O 3.36Å; E985-Q988 HydrophobicContact CB-CG 4.27Å; E985-Q988 WeakPolarHBondContact O-CB 3.34Å; E985-Q988 WeakPolarHBondContact O-CG 3.39Å; E985-Q988 PolarHBondContact O-N 3.13Å; P986-Q988 PolarHBondContact O-N 2.9Å; Q988-L1006 HydrophobicContact CB-CD1 4.45Å
989I95.1Very high91.6Very high65 Ų6572.7 Ų72.733%0.33338%0.381SS..EExtended strand (participates in β ladder)trans-107.9116.9-178-50.3-48.5000109.5R967 V968 R969 L1021R967-I989 HydrophobicContact CB-CG2 4.42Å; V968-I989 WeakPolarHBondContact O-CA 3.24Å; R969-I989 HydrophobicContact CB-CD1 3.85Å; R969-I989 HydrophobicContact CG-CD1 3.93Å; I989-L1021 HydrophobicContact CD1-CD1 3.96Å; I989-L1021 HydrophobicContact CG1-CD1 4.37Å; I989-L1021 HydrophobicContact CG2-CD1 3.68Å
990I95.1Very high91.9Very high0 Ų065.9 Ų65.90%036%0.36CS..EExtended strand (participates in β ladder)trans-97.8135.8175.9-48.4-176.7000108.5R967 V968 T970 L982 F984 V993 T1005 L1006 I1013R967-I990 WeakPolarHBondContact CA-O 3.23Å; V968-I990 HydrophobicContact CG2-CB 3.96Å; V968-I990 PolarHBondContact N-O 2.95Å; V968-I990 PolarHBondContact O-N 3.08Å; T970-I990 HydrophobicContact CG2-CD1 3.73Å; T970-I990 HydrophobicContact CG2-CG1 4Å; L982-I990 HydrophobicContact CD1-CD1 4.5Å; L982-I990 HydrophobicContact CD1-CG2 4.2Å; F984-I990 HydrophobicContact CD1-CD1 3.95Å; F984-I990 HydrophobicContact CE1-CD1 4.27Å; F984-I990 HydrophobicContact CG-CD1 4.33Å; I990-V993 HydrophobicContact CB-CG2 4.4Å; I990-V993 HydrophobicContact CG2-CG2 4.14Å; I990-T1005 VanDerWaalsContact CG2-O 3.28Å; I990-T1005 WeakPolarHBondContact CG2-O 3.46Å; I990-L1006 HydrophobicContact CG1-CB 4.29Å; I990-L1006 HydrophobicContact CG1-CD1 4.41Å; I990-L1006 HydrophobicContact CG1-CD2 4.39Å; I990-L1006 HydrophobicContact CG2-CB 4.36Å; I990-I1013 HydrophobicContact CD1-CD1 3.96Å; I990-I1013 HydrophobicContact CD1-CG1 3.95Å; I990-I1013 HydrophobicContact CD1-CG2 4.13Å; I990-I1013 HydrophobicContact CG2-CD1 3.71Å
991T94.5Very high92.1Very high52 Ų5267.7 Ų67.732%0.31936%0.355SS..EExtended strand (participates in β ladder)trans-112.6176-17761.60000111.7R967 V993 T1005R967-T991 HydrophobicContact CG-CG2 4.28Å; T991-V993 WeakPolarHBondContact O-CG2 3.45Å; T991-V993 PolarHBondContact O-N 3.35Å; T991-T1005 PolarHBondContact N-O 3.15Å; T991-T1005 PolarHBondContact O-N 2.98Å; T991-T1005 PolarHBondContact OG1-O 3.12Å
992N91.9Very high92.1Very high81 Ų8166.3 Ų66.343%0.43335%0.349SS..EExtended strand (participates in β ladder)trans56.731.2177.4-52.6-23000114.1G964 A966 R994 T1005G964-N992 CarbonylContact O-C 3.6Å; G964-N992 VanDerWaalsContact O-C 3.29Å; G964-N992 WeakPolarHBondContact O-CA 3.48Å; A966-N992 PolarHBondContact O-N 3.15Å; N992-R994 PolarHBondContact O-NH1 3.49Å; N992-R994 VanDerWaalsContact O-NH1 3.1Å; N992-T1005 PolarHBondContact ND2-OG1 3.44Å
993V94.2Very high92.2Very high0 Ų069.2 Ų69.20%036%0.362CS..EExtended strand (participates in β ladder)trans-79.5131-166-173.50000111.1A966 V968 I990 T991 L1002 Q1003A966-V993 HydrophobicContact CB-CB 4.19Å; A966-V993 WeakPolarHBondContact O-CB 3.43Å; A966-V993 PolarHBondContact O-N 3.17Å; V968-V993 HydrophobicContact CG1-CB 4.39Å; V968-V993 HydrophobicContact CG1-CG1 4.12Å; V968-V993 HydrophobicContact CG1-CG2 4.22Å; V968-V993 HydrophobicContact CG2-CG2 4.06Å; I990-V993 HydrophobicContact CB-CG2 4.4Å; I990-V993 HydrophobicContact CG2-CG2 4.14Å; T991-V993 WeakPolarHBondContact O-CG2 3.45Å; T991-V993 PolarHBondContact O-N 3.35Å; V993-L1002 HydrophobicContact CG1-CB 3.93Å; V993-L1002 HydrophobicContact CG1-CD1 3.78Å; V993-L1002 HydrophobicContact CG1-CG 4.41Å; V993-Q1003 WeakPolarHBondContact CA-O 3.49Å
994R92.2Very high92.2Very high84 Ų8465.8 Ų65.832%0.31734%0.338SS..EExtended strand (participates in β ladder)trans-141.1166.3-179.657.8-177.4170-83.78.1110.4L961 N992 L1002 Q1003L961-R994 WeakPolarHBondContact O-CA 3.43Å; L961-R994 WeakPolarHBondContact O-CB 3.32Å; N992-R994 PolarHBondContact O-NH1 3.49Å; N992-R994 VanDerWaalsContact O-NH1 3.1Å; R994-L1002 CarbonylContact O-C 3.59Å; R994-L1002 WeakPolarHBondContact O-CA 3.49Å; R994-L1002 WeakPolarHBondContact O-CB 3.49Å; R994-Q1003 HydrophobicContact CG-CB 4.1Å; R994-Q1003 WeakPolarHBondContact CG-O 3.32Å; R994-Q1003 PolarHBondContact N-O 3.2Å; R994-Q1003 VanDerWaalsContact NH2-CD 3.32Å; R994-Q1003 PolarHBondContact O-N 3.29Å
995Y91.9Very high92.2Very high103 Ų10366.5 Ų66.540%0.40434%0.343SS..EExtended strand (participates in β ladder)trans-62.4140.8169-68.4-66.6000111.2L961 L1002L961-Y995 HydrophobicContact CB-CD2 4.05Å; L961-Y995 HydrophobicContact CB-CE2 3.75Å; L961-Y995 HydrophobicContact CD2-CD1 3.99Å; L961-Y995 HydrophobicContact CD2-CD2 4.21Å; L961-Y995 HydrophobicContact CD2-CE1 3.61Å; L961-Y995 HydrophobicContact CD2-CE2 3.86Å; L961-Y995 HydrophobicContact CD2-CG 4.28Å; L961-Y995 HydrophobicContact CG-CE2 4.46Å; Y995-L1002 HydrophobicContact CD1-CD2 3.75Å; Y995-L1002 HydrophobicContact CE1-CD2 4.14Å
996S89.5Confident92.2Very high30 Ų3061.6 Ų61.621%0.2132%0.321CS..  trans-77.2172.7165.7-170.30000110.8E998 W1001 L1012S996-E998 VanDerWaalsContact C-N 3.27Å; S996-E998 PolarHBondContact OG-N 3.16Å; S996-W1001 WeakPolarHBondContact CB-O 3.15Å; S996-W1001 PolarHBondContact N-O 3.02Å; S996-L1012 VanDerWaalsContact OG-CD2 3.26Å; S996-L1012 WeakPolarHBondContact OG-CD2 3.18Å
997H86.4Confident92Very high197 Ų19766.3 Ų66.391%0.91234%0.343SS*.SBendtrans-73.9-22.6160.8-68.6-69.4000112.1
998E85Confident91.8Very high98 Ų9863.9 Ų63.946%0.45835%0.345SS..SBendtrans-86.5123177-69.3172.5-173.400111S996 G1000 W1001 L1012S996-E998 VanDerWaalsContact C-N 3.27Å; S996-E998 PolarHBondContact OG-N 3.16Å; E998-G1000 PolarHBondContact O-N 3.4Å; E998-W1001 HydrophobicContact CB-CB 4.24Å; E998-W1001 HydrophobicContact CB-CG 4.3Å; E998-W1001 PolarHBondContact O-N 2.66Å; E998-L1012 WeakPolarHBondContact OE2-CD1 3.18Å
999P85.2Confident91.6Very high131 Ų13165.5 Ų65.585%0.85135%0.351SS*.THydrogen-bonded Turntrans-59.9135.6179-2535.1000112.9W1001P999-W1001 PolarHBondContact O-N 2.65Å
1000G88.6Confident91.5Very high41 Ų4165.3 Ų65.342%0.42335%0.354SS..THydrogen-bonded Turntrans79.9-0.8-177.700000114.8E998 E1015E998-G1000 PolarHBondContact O-N 3.4Å; G1000-E1015 VanDerWaalsContact O-CB 3.25Å; G1000-E1015 WeakPolarHBondContact O-CB 3.47Å; G1000-E1015 PolarHBondContact O-N 2.89Å
1001W93.4Very high91.5Very high77 Ų7765.4 Ų65.429%0.29236%0.355SS..EExtended strand (participates in β ladder)trans-109.3142.3171.2-65.288.7000111.6E981 S996 E998 P999 L1012 I1013 P1014E981-W1001 HydrophobicContact CG-CH2 4.25Å; E981-W1001 HydrophobicContact CG-CZ3 4.17Å; S996-W1001 WeakPolarHBondContact CB-O 3.15Å; S996-W1001 PolarHBondContact N-O 3.02Å; E998-W1001 HydrophobicContact CB-CB 4.24Å; E998-W1001 HydrophobicContact CB-CG 4.3Å; E998-W1001 PolarHBondContact O-N 2.66Å; P999-W1001 PolarHBondContact O-N 2.65Å; W1001-L1012 HydrophobicContact CD2-CB 4.41Å; W1001-L1012 HydrophobicContact CE3-CB 3.67Å; W1001-L1012 HydrophobicContact CZ3-CB 4.03Å; W1001-I1013 WeakPolarHBondContact CA-O 3.45Å; W1001-I1013 VanDerWaalsContact CE3-C 3.43Å; W1001-P1014 HydrophobicContact CE3-CG 4.12Å; W1001-P1014 HydrophobicContact CH2-CG 4.13Å; W1001-P1014 HydrophobicContact CZ3-CG 3.73Å
1002L94.1Very high91.5Very high0 Ų064.2 Ų64.20%035%0.346CS..EExtended strand (participates in β ladder)trans-106.9150.5167.3-57.8-178.2000109L961 V993 R994 Y995 L1012 I1013 E1015 V1018L961-L1002 HydrophobicContact CD2-CD1 4.34Å; L961-L1002 HydrophobicContact CD2-CD2 3.68Å; V993-L1002 HydrophobicContact CG1-CB 3.93Å; V993-L1002 HydrophobicContact CG1-CD1 3.78Å; V993-L1002 HydrophobicContact CG1-CG 4.41Å; R994-L1002 CarbonylContact O-C 3.59Å; R994-L1002 WeakPolarHBondContact O-CA 3.49Å; R994-L1002 WeakPolarHBondContact O-CB 3.49Å; Y995-L1002 HydrophobicContact CD1-CD2 3.75Å; Y995-L1002 HydrophobicContact CE1-CD2 4.14Å; L1002-L1012 CarbonylContact O-C 3.2Å; L1002-L1012 WeakPolarHBondContact O-CA 3.27Å; L1002-I1013 PolarHBondContact N-O 3.29Å; L1002-I1013 PolarHBondContact O-N 3.22Å; L1002-E1015 HydrophobicContact CD1-CB 4.4Å; L1002-E1015 HydrophobicContact CD1-CG 4.15Å; L1002-E1015 HydrophobicContact CD2-CB 4.48Å; L1002-E1015 HydrophobicContact CD2-CG 4.26Å; L1002-E1015 HydrophobicContact CG-CB 4.02Å; L1002-E1015 HydrophobicContact CG-CG 4.1Å; L1002-V1018 HydrophobicContact CD1-CG2 4.09Å
1003Q94.1Very high91.7Very high64 Ų6460.4 Ų60.430%0.29933%0.325SS..EExtended strand (participates in β ladder)trans-106.7132.5169.1-162.5-178.540.800109.1V993 R994 T1010 G1011 L1012V993-Q1003 WeakPolarHBondContact CA-O 3.49Å; R994-Q1003 HydrophobicContact CG-CB 4.1Å; R994-Q1003 WeakPolarHBondContact CG-O 3.32Å; R994-Q1003 PolarHBondContact N-O 3.2Å; R994-Q1003 VanDerWaalsContact NH2-CD 3.32Å; R994-Q1003 PolarHBondContact O-N 3.29Å; Q1003-T1010 HydrophobicContact CG-CG2 4.18Å; Q1003-G1011 WeakPolarHBondContact CA-O 3.34Å; Q1003-L1012 HydrophobicContact CB-CD2 4.46Å
1004G94.2Very high91.6Very high0 Ų061.1 Ų61.10%033%0.33CS..EExtended strand (participates in β ladder)trans-156.2179.5-178.800000112.6L982 T1010 G1011L982-G1004 WeakPolarHBondContact CD1-O 3.33Å; G1004-T1010 VanDerWaalsContact O-CA 3.27Å; G1004-T1010 WeakPolarHBondContact O-CA 3.29Å; G1004-T1010 WeakPolarHBondContact O-CG2 3.3Å; G1004-G1011 PolarHBondContact N-O 3.08Å; G1004-G1011 PolarHBondContact O-N 2.99Å
1005T95.2Very high91.7Very high21 Ų2160.6 Ų60.613%0.12933%0.331CS..EExtended strand (participates in β ladder)trans-120.1127.5-175.2-51.90000111I990 T991 N992 K1009 T1010I990-T1005 VanDerWaalsContact CG2-O 3.28Å; I990-T1005 WeakPolarHBondContact CG2-O 3.46Å; T991-T1005 PolarHBondContact N-O 3.15Å; T991-T1005 PolarHBondContact O-N 2.98Å; T991-T1005 PolarHBondContact OG1-O 3.12Å; N992-T1005 PolarHBondContact ND2-OG1 3.44Å; T1005-K1009 CarbonylContact C-O 3.57Å; T1005-K1009 VanDerWaalsContact CA-O 3.32Å; T1005-K1009 WeakPolarHBondContact CA-O 3.44Å; T1005-K1009 WeakPolarHBondContact CG2-O 3.36Å; T1005-T1010 PolarHBondContact OG1-OG1 3.18Å
1006L94.1Very high91.8Very high15 Ų1561.2 Ų61.28%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-133.9129.6174.4179.364000109.1L982 F984 Q988 I990 G1008 K1009L982-L1006 HydrophobicContact CD1-CB 3.92Å; F984-L1006 HydrophobicContact CB-CD2 3.59Å; Q988-L1006 HydrophobicContact CB-CD1 4.45Å; I990-L1006 HydrophobicContact CG1-CB 4.29Å; I990-L1006 HydrophobicContact CG1-CD1 4.41Å; I990-L1006 HydrophobicContact CG1-CD2 4.39Å; I990-L1006 HydrophobicContact CG2-CB 4.36Å; L1006-G1008 PolarHBondContact O-N 3.07Å; L1006-K1009 PolarHBondContact N-O 3.34Å; L1006-K1009 PolarHBondContact O-N 2.81Å; L1006-K1009 VanDerWaalsContact O-O 3.11Å
1007N89.3Confident92.1Very high152 Ų15263.7 Ų63.781%0.81335%0.347SS*.THydrogen-bonded Turntrans49.733.1179.8-58.4-18.5000114K1009N1007-K1009 VanDerWaalsContact C-N 3.3Å; N1007-K1009 PolarHBondContact O-N 3.28Å
1008G88.8Confident92.5Very high66 Ų6655 Ų5568%0.6831%0.308SS*.THydrogen-bonded Turntrans85.6-25.4-177.200000115.3L1006L1006-G1008 PolarHBondContact O-N 3.07Å
1009K90.9Very high92.8Very high98 Ų9854.8 Ų54.843%0.42631%0.307SS..EExtended strand (participates in β ladder)trans-71.3137.2171-166.5-177.5178.9-161.70109.1E979 E981 L982 T1005 L1006 N1007E979-K1009 WeakPolarHBondContact O-CE 3.44Å; E979-K1009 PolarHBondContact O-NZ 3.12Å; E981-K1009 PolarHBondContact O-NZ 2.77Å; L982-K1009 HydrophobicContact CD2-CB 3.84Å; L982-K1009 HydrophobicContact CD2-CD 3.87Å; L982-K1009 HydrophobicContact CD2-CG 3.77Å; T1005-K1009 CarbonylContact C-O 3.57Å; T1005-K1009 VanDerWaalsContact CA-O 3.32Å; T1005-K1009 WeakPolarHBondContact CA-O 3.44Å; T1005-K1009 WeakPolarHBondContact CG2-O 3.36Å; L1006-K1009 PolarHBondContact N-O 3.34Å; L1006-K1009 PolarHBondContact O-N 2.81Å; L1006-K1009 VanDerWaalsContact O-O 3.11Å; N1007-K1009 VanDerWaalsContact C-N 3.3Å; N1007-K1009 PolarHBondContact O-N 3.28Å
1010T93.4Very high93Very high62 Ų6251 Ų5138%0.3828%0.278SS..EExtended strand (participates in β ladder)trans-110.6138.1169.8-63.20000108.9Q1003 G1004 T1005Q1003-T1010 HydrophobicContact CG-CG2 4.18Å; G1004-T1010 VanDerWaalsContact O-CA 3.27Å; G1004-T1010 WeakPolarHBondContact O-CA 3.29Å; G1004-T1010 WeakPolarHBondContact O-CG2 3.3Å; T1005-T1010 PolarHBondContact OG1-OG1 3.18Å
1011G94.1Very high92.9Very high2 Ų250.8 Ų50.82%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-173.4-175.6-177.200000113.6G980 Q1003 G1004G980-G1011 CarbonylContact O-C 3.58Å; G980-G1011 WeakPolarHBondContact O-CA 3.35Å; Q1003-G1011 WeakPolarHBondContact CA-O 3.34Å; G1004-G1011 PolarHBondContact N-O 3.08Å; G1004-G1011 PolarHBondContact O-N 2.99Å
1012L95.3Very high92Very high27 Ų2752.9 Ų52.914%0.14128%0.278CS..EExtended strand (participates in β ladder)trans-79.8144.9-179.8-61.4177.6000112.3G980 E981 L982 S996 E998 W1001 L1002 Q1003G980-L1012 PolarHBondContact O-N 2.87Å; E981-L1012 HydrophobicContact CG-CB 4.23Å; L982-L1012 PolarHBondContact N-O 2.85Å; S996-L1012 VanDerWaalsContact OG-CD2 3.26Å; S996-L1012 WeakPolarHBondContact OG-CD2 3.18Å; E998-L1012 WeakPolarHBondContact OE2-CD1 3.18Å; W1001-L1012 HydrophobicContact CD2-CB 4.41Å; W1001-L1012 HydrophobicContact CE3-CB 3.67Å; W1001-L1012 HydrophobicContact CZ3-CB 4.03Å; L1002-L1012 CarbonylContact O-C 3.2Å; L1002-L1012 WeakPolarHBondContact O-CA 3.27Å; Q1003-L1012 HydrophobicContact CB-CD2 4.46Å
1013I94.9Very high90.4Very high0 Ų056.4 Ų56.40%030%0.301CS..EExtended strand (participates in β ladder)trans-141.1128.9-174.2-54.4146.2000107.8L982 F984 I990 W1001 L1002 E1015 V1018L982-I1013 HydrophobicContact CB-CG1 4.37Å; L982-I1013 HydrophobicContact CD1-CD1 4.12Å; L982-I1013 HydrophobicContact CD1-CG1 3.93Å; L982-I1013 HydrophobicContact CG-CG1 4.5Å; F984-I1013 HydrophobicContact CE1-CB 4.46Å; F984-I1013 HydrophobicContact CE1-CG2 3.83Å; F984-I1013 HydrophobicContact CZ-CG2 3.99Å; I990-I1013 HydrophobicContact CD1-CD1 3.96Å; I990-I1013 HydrophobicContact CD1-CG1 3.95Å; I990-I1013 HydrophobicContact CD1-CG2 4.13Å; I990-I1013 HydrophobicContact CG2-CD1 3.71Å; W1001-I1013 WeakPolarHBondContact CA-O 3.45Å; W1001-I1013 VanDerWaalsContact CE3-C 3.43Å; L1002-I1013 PolarHBondContact N-O 3.29Å; L1002-I1013 PolarHBondContact O-N 3.22Å; I1013-E1015 PolarHBondContact O-N 3.05Å; I1013-V1018 HydrophobicContact CG2-CG1 3.6Å
1014P93.9Very high88.3Confident16 Ų1661.9 Ų61.910%0.10433%0.326CS..EExtended strand (participates in β ladder)trans-64.7128.7174.3-20.332.2000111.4W1001 N1016 Y1017W1001-P1014 HydrophobicContact CE3-CG 4.12Å; W1001-P1014 HydrophobicContact CH2-CG 4.13Å; W1001-P1014 HydrophobicContact CZ3-CG 3.73Å; P1014-N1016 VanDerWaalsContact CB-OD1 3.27Å; P1014-N1016 WeakPolarHBondContact CB-OD1 3.48Å; P1014-N1016 PolarHBondContact O-N 3.43Å; P1014-Y1017 HydrophobicContact CB-CD2 3.72Å; P1014-Y1017 HydrophobicContact CB-CE2 4.42Å; P1014-Y1017 HydrophobicContact CB-CG 4.03Å; P1014-Y1017 HydrophobicContact CG-CD2 4.16Å; P1014-Y1017 HydrophobicContact CG-CG 4.19Å; P1014-Y1017 PolarHBondContact O-N 2.84Å
1015E93.4Very high85.5Confident72 Ų7274 Ų7434%0.33638%0.382SS..G310 helixtrans-60.9-31.6-177.2-175171.6-150.100111.9G1000 L1002 I1013 Y1017G1000-E1015 VanDerWaalsContact O-CB 3.25Å; G1000-E1015 WeakPolarHBondContact O-CB 3.47Å; G1000-E1015 PolarHBondContact O-N 2.89Å; L1002-E1015 HydrophobicContact CD1-CB 4.4Å; L1002-E1015 HydrophobicContact CD1-CG 4.15Å; L1002-E1015 HydrophobicContact CD2-CB 4.48Å; L1002-E1015 HydrophobicContact CD2-CG 4.26Å; L1002-E1015 HydrophobicContact CG-CB 4.02Å; L1002-E1015 HydrophobicContact CG-CG 4.1Å; I1013-E1015 PolarHBondContact O-N 3.05Å; E1015-Y1017 VanDerWaalsContact C-N 3.32Å; E1015-Y1017 PolarHBondContact O-N 3.23Å
1016N93.3Very high85Confident117 Ų11776.7 Ų76.763%0.62640%0.395SS*.G310 helixtrans-79.3-5.2176.363.2-24.1000114.8P1014P1014-N1016 VanDerWaalsContact CB-OD1 3.27Å; P1014-N1016 WeakPolarHBondContact CB-OD1 3.48Å; P1014-N1016 PolarHBondContact O-N 3.43Å
1017Y95.8Very high84.5Confident81 Ų8179.9 Ų79.932%0.31841%0.411SS..G310 helixtrans-93.31.3177.3-86.4-127.7000113L971 Y972 A973 C974 F984 P1014 E1015L971-Y1017 PolarHBondContact N-O 2.81Å; Y972-Y1017 HydrophobicContact CD2-CD1 4.24Å; Y972-Y1017 HydrophobicContact CD2-CD2 4.36Å; Y972-Y1017 HydrophobicContact CD2-CG 4.13Å; A973-Y1017 WeakPolarHBondContact O-CE1 3.26Å; C974-Y1017 HydrophobicContact CB-CD1 4.13Å; C974-Y1017 HydrophobicContact CB-CE1 4.34Å; F984-Y1017 HydrophobicContact CE2-CD1 4.19Å; F984-Y1017 HydrophobicContact CZ-CD1 4.28Å; P1014-Y1017 HydrophobicContact CB-CD2 3.72Å; P1014-Y1017 HydrophobicContact CB-CE2 4.42Å; P1014-Y1017 HydrophobicContact CB-CG 4.03Å; P1014-Y1017 HydrophobicContact CG-CD2 4.16Å; P1014-Y1017 HydrophobicContact CG-CG 4.19Å; P1014-Y1017 PolarHBondContact O-N 2.84Å; E1015-Y1017 VanDerWaalsContact C-N 3.32Å; E1015-Y1017 PolarHBondContact O-N 3.23Å
1018V94.4Very high84.3Confident14 Ų1475.9 Ų75.99%0.08539%0.389CS..EExtended strand (participates in β ladder)trans-137.8153.4-170.1-59.20000114.2V968 R969 T970 L1002 I1013V968-V1018 HydrophobicContact CB-CB 3.84Å; V968-V1018 HydrophobicContact CB-CG1 4.48Å; V968-V1018 HydrophobicContact CB-CG2 4.05Å; V968-V1018 HydrophobicContact CG1-CG2 4.21Å; V968-V1018 HydrophobicContact CG2-CB 3.65Å; V968-V1018 HydrophobicContact CG2-CG1 3.74Å; V968-V1018 HydrophobicContact CG2-CG2 3.92Å; R969-V1018 CarbonylContact O-C 3.43Å; R969-V1018 VanDerWaalsContact O-CA 3.25Å; R969-V1018 WeakPolarHBondContact O-CA 3.4Å; T970-V1018 HydrophobicContact CG2-CG1 4.3Å; L1002-V1018 HydrophobicContact CD1-CG2 4.09Å; I1013-V1018 HydrophobicContact CG2-CG1 3.6Å
1019E92.7Very high84Confident95 Ų9576.5 Ų76.544%0.44437%0.372SS..EExtended strand (participates in β ladder)trans-115131.8173.2178.7-173.4-143.100110.1V968 R969 L971 L1021V968-E1019 CarbonylContact C-O 3.5Å; V968-E1019 WeakPolarHBondContact CA-O 3.46Å; V968-E1019 WeakPolarHBondContact CB-O 3.37Å; R969-E1019 PolarHBondContact N-O 3.37Å; R969-E1019 IonicContact NH1-OE2 3.93Å; R969-E1019 PolarHBondContact NH1-OE2 3.06Å; R969-E1019 PolarHBondContact O-N 3.11Å; L971-E1019 HydrophobicContact CD1-CB 4.31Å; L971-E1019 HydrophobicContact CD2-CB 4.01Å; L971-E1019 HydrophobicContact CG-CB 4.27Å; E1019-L1021 PolarHBondContact O-N 2.95Å
1020H89.8Confident83.6Confident51 Ų5175.1 Ų75.124%0.23637%0.368CS..EExtended strand (participates in β ladder)trans-66.9120.5175.2-62.3-68.1000111.9I957 L961 V968 K1022I957-H1020 HydrophobicContact CD1-CB 4.13Å; I957-H1020 HydrophobicContact CG1-CB 4.16Å; I957-H1020 HydrophobicContact CG2-CB 4.49Å; I957-H1020 VanDerWaalsContact CG2-CD2 3.46Å; I957-H1020 WeakPolarHBondContact CG2-CD2 3.47Å; L961-H1020 WeakPolarHBondContact CD1-CE1 3.08Å; V968-H1020 WeakPolarHBondContact CG1-ND1 3.32Å; H1020-K1022 PolarHBondContact O-N 2.92Å
1021L85.1Confident82.9Confident37 Ų3776 Ų7619%0.19437%0.368CS..PPolyproline II helixtrans-71.5117.7170.1-70.8-176.1000109.2R967 R969 I989 E1019R967-L1021 HydrophobicContact CB-CB 4.4Å; R967-L1021 HydrophobicContact CB-CD1 4.27Å; R967-L1021 PolarHBondContact O-N 2.96Å; R969-L1021 HydrophobicContact CB-CD2 4.07Å; R969-L1021 HydrophobicContact CB-CG 4.4Å; I989-L1021 HydrophobicContact CD1-CD1 3.96Å; I989-L1021 HydrophobicContact CG1-CD1 4.37Å; I989-L1021 HydrophobicContact CG2-CD1 3.68Å; E1019-L1021 PolarHBondContact O-N 2.95Å
1022K74.7Confident82.1Confident121 Ų12181.3 Ų81.353%0.52639%0.392SS..PPolyproline II helixtrans-56.6138.6166.4-62.8-166.9173.6-148.30109.8D953 H1020 H1024D953-K1022 IonicContact OD1-NZ 3.18Å; D953-K1022 PolarHBondContact OD1-NZ 2.91Å; D953-K1022 IonicContact OD2-NZ 3.06Å; D953-K1022 PolarHBondContact OD2-NZ 2.62Å; H1020-K1022 PolarHBondContact O-N 2.92Å; K1022-H1024 PolarHBondContact O-N 2.86Å
1023P61.1Low81.1Confident73 Ų7385.5 Ų85.547%0.47441%0.412SS..PPolyproline II helixtrans-60.6133166.326.3-32.6000109
1024H50.5Low80Confident180 Ų18092.6 Ų92.683%0.83345%0.446SS*.PPolyproline II helixtrans-75.4123.7166.1-71.4-40.2000108.3K1022K1022-H1024 PolarHBondContact O-N 2.86Å
1025H34.7Very low78.7Confident254 Ų25499.5 Ų99.5100%1.17648%0.477SS*.  trans-103.70162.9-84.6-59.5000108.6

Retrieved 1,025 of 1,025 residues in 1592.3 ms (Link to these results)