A0A3Q0KF43_SCHMA Loading...

ATP-dependent 6-phosphofructokinase

Catalyzes the phosphorylation of D-fructose 6-phosphate to fructose 1,6-bisphosphate by ATP, the first committing step of glycolysis.

AlphaFold DB , UniProt , Accession A0A3Q0KF43, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 790 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M29.9Very low27.3Very low246 Ų246166.5 Ų166.5100%1.21278%0.775SS**  0117.80-77178.4-16900106.4
2E26.1Very low27.1Very low180 Ų180168.4 Ų168.484%0.84178%0.784SS**  trans10.8112-179.1-69.4174.1159.400118.1R4E2-R4 PolarHBondContact O-N 3.4Å
3C25.2Very low27.5Very low135 Ų135162.4 Ų162.491%0.91275%0.75SS**  trans-45.299.1158-90.80000109.4R5C3-R5 PolarHBondContact O-N 3.3Å
4R24.1Very low27.9Very low234 Ų234158.5 Ų158.588%0.88374%0.737SS**  trans-68.884.3163.8-75.1-175.4177.3-177.6-0.2107.4E2 F6E2-R4 PolarHBondContact O-N 3.4Å; R4-F6 PolarHBondContact O-N 3.43Å
5R28Very low28.3Very low227 Ų227156 Ų15686%0.85774%0.74SS**  trans-49.4121.6151.3-90.5-179.4169175.3-3.6105.7C3 E7C3-R5 PolarHBondContact O-N 3.3Å; R5-E7 VanDerWaalsContact C-N 3.3Å; R5-E7 PolarHBondContact O-N 3.38Å
6F28.6Very low29.2Very low207 Ų207147.4 Ų147.491%0.90871%0.706SS**  trans-47.796.2170.9-96-99.9000109.1R4 R8R4-F6 PolarHBondContact O-N 3.43Å; F6-R8 PolarHBondContact O-N 3.4Å
7E24.7Very low30.1Very low133 Ų133141.7 Ų141.762%0.62168%0.679SS**  trans-66.8107.1172.3-92.9-171.1135.500107.1R5 R9R5-E7 VanDerWaalsContact C-N 3.3Å; R5-E7 PolarHBondContact O-N 3.38Å; E7-R9 HydrophobicContact CB-CG 4.25Å; E7-R9 VanDerWaalsContact CD-NH2 3.3Å; E7-R9 PolarHBondContact O-N 2.98Å; E7-R9 IonicContact OE1-CZ 3.07Å; E7-R9 IonicContact OE1-NE 2.71Å; E7-R9 PolarHBondContact OE1-NE 2.89Å; E7-R9 IonicContact OE1-NH2 3.81Å; E7-R9 PolarHBondContact OE1-NH2 2.92Å; E7-R9 IonicContact OE2-CZ 3.57Å; E7-R9 IonicContact OE2-NE 3.45Å; E7-R9 PolarHBondContact OE2-NE 2.61Å; E7-R9 IonicContact OE2-NH2 2.87Å; E7-R9 PolarHBondContact OE2-NH2 3.49Å
8R31.6Very low31.1Very low145 Ų145138.3 Ų138.355%0.54766%0.662SS.*  trans-60.682167-63175.6-173.7-164.30.6108.7F6 E18F6-R8 PolarHBondContact O-N 3.4Å; R8-E18 IonicContact NH1-OE1 3.47Å; R8-E18 PolarHBondContact NH1-OE1 3.31Å
9R26.1Very low32Very low190 Ų190132.6 Ų132.672%0.71764%0.644SS**  trans-100.6146.1179.1-84.1-177.1-174.5-166.26113E7E7-R9 HydrophobicContact CB-CG 4.25Å; E7-R9 VanDerWaalsContact CD-NH2 3.3Å; E7-R9 PolarHBondContact O-N 2.98Å; E7-R9 IonicContact OE1-CZ 3.07Å; E7-R9 IonicContact OE1-NE 2.71Å; E7-R9 PolarHBondContact OE1-NE 2.89Å; E7-R9 IonicContact OE1-NH2 3.81Å; E7-R9 PolarHBondContact OE1-NH2 2.92Å; E7-R9 IonicContact OE2-CZ 3.57Å; E7-R9 IonicContact OE2-NE 3.45Å; E7-R9 PolarHBondContact OE2-NE 2.61Å; E7-R9 IonicContact OE2-NH2 2.87Å; E7-R9 PolarHBondContact OE2-NH2 3.49Å
10A27.2Very low33.3Very low95 Ų95131.7 Ų131.779%0.78564%0.636SS**SBendtrans78.465.7173.900000116.8
11T29Very low34.6Very low39 Ų39132.3 Ų132.324%0.23963%0.633CS.*  trans-147.7133.2135.313.30000107.8W13 R789T11-W13 PolarHBondContact O-N 3.4Å; T11-W13 PolarHBondContact O-NE1 3.32Å; T11-W13 VanDerWaalsContact O-NE1 3.16Å; T11-W13 VanDerWaalsContact OG1-CE2 3.23Å; T11-W13 WeakPolarHBondContact OG1-CZ2 3.27Å; T11-R789 VanDerWaalsContact CB-NH2 3.3Å; T11-R789 HydrophobicContact CG2-CG 3.78Å; T11-R789 VanDerWaalsContact CG2-NH2 3.3Å; T11-R789 PolarHBondContact OG1-NH2 2.84Å
12E25.3Very low36.4Very low190 Ų190121.2 Ų121.289%0.88858%0.579SS**  trans-67.2102.2171.9-77.5-175.9159.700107.2
13W31.7Very low38.5Very low90 Ų90114.9 Ų114.934%0.34156%0.558SS.*EExtended strand (participates in β ladder)trans-86.7122.5176.1-52.999000107.6T11 I783 A785T11-W13 PolarHBondContact O-N 3.4Å; T11-W13 PolarHBondContact O-NE1 3.32Å; T11-W13 VanDerWaalsContact O-NE1 3.16Å; T11-W13 VanDerWaalsContact OG1-CE2 3.23Å; T11-W13 WeakPolarHBondContact OG1-CZ2 3.27Å; W13-I783 HydrophobicContact CB-CG2 4.1Å; W13-I783 HydrophobicContact CD2-CB 4.43Å; W13-I783 HydrophobicContact CD2-CG2 3.66Å; W13-I783 HydrophobicContact CE3-CB 3.58Å; W13-I783 HydrophobicContact CE3-CD1 4.2Å; W13-I783 HydrophobicContact CE3-CG1 4.47Å; W13-I783 HydrophobicContact CE3-CG2 3.18Å; W13-I783 HydrophobicContact CG-CG2 4.07Å; W13-I783 HydrophobicContact CH2-CB 4.49Å; W13-I783 HydrophobicContact CH2-CD1 3.91Å; W13-I783 HydrophobicContact CZ2-CD1 4.29Å; W13-I783 HydrophobicContact CZ3-CB 3.6Å; W13-I783 HydrophobicContact CZ3-CD1 3.87Å; W13-I783 HydrophobicContact CZ3-CG1 4.22Å; W13-I783 HydrophobicContact CZ3-CG2 3.77Å; W13-A785 HydrophobicContact CE3-CB 4.44Å; W13-A785 HydrophobicContact CZ3-CB 4.08Å
14L33.1Very low41.1Very low108 Ų108115.2 Ų115.257%0.56554%0.54SS*.EExtended strand (participates in β ladder)trans-66.4148.1155.8-74.2162.3000106.6G16 M784L14-G16 PolarHBondContact O-N 2.82Å; L14-M784 HydrophobicContact CB-CB 3.81Å; L14-M784 HydrophobicContact CB-CE 3.87Å; L14-M784 HydrophobicContact CD1-CE 3.9Å; L14-M784 PolarHBondContact N-O 3.48Å; L14-M784 WeakPolarHBondContact O-CB 3.5Å
15P34.8Very low44Very low121 Ų121105.4 Ų105.479%0.78651%0.511SS*.  trans-60.8104.2179.7-17.129.2000109.6
16G41.4Very low46.7Very low18 Ų1898.3 Ų98.319%0.18649%0.488CS..  trans-73.9155.8155.700000108.3L14 E18L14-G16 PolarHBondContact O-N 2.82Å; G16-E18 PolarHBondContact O-N 2.83Å
17M44.8Very low49.5Very low51 Ų5189.2 Ų89.225%0.25145%0.448SS..  trans-77.534.8176.8-56.8-96.1-85.600111G19 K20 D340M17-G19 PolarHBondContact O-N 3.46Å; M17-K20 HydrophobicContact CB-CB 4.04Å; M17-K20 HydrophobicContact CB-CD 3.99Å; M17-K20 HydrophobicContact CB-CG 3.93Å; M17-K20 HydrophobicContact CE-CD 3.54Å; M17-K20 HydrophobicContact CG-CD 4.29Å; M17-K20 WeakPolarHBondContact O-CB 3.31Å; M17-K20 PolarHBondContact O-N 3.34Å; M17-K20 HydrophobicContact SD-CD 3.38Å; M17-K20 WeakPolarHBondContact SD-CD 3.24Å; M17-K20 WeakPolarHBondContact SD-CE 3.28Å; M17-K20 HydrophobicContact SD-CG 4.36Å; M17-K20 PolarHBondContact SD-NZ 2.78Å; M17-D340 VanDerWaalsContact CE-OD1 3.27Å; M17-D340 WeakPolarHBondContact CE-OD1 3.35Å
18E49.2Very low52.6Low80 Ų8088.1 Ų88.137%0.37445%0.45SS..THydrogen-bonded Turntrans-55.6126.8178.7-152.5-177.9-17000107.8R8 G16 Q358 I783R8-E18 IonicContact NH1-OE1 3.47Å; R8-E18 PolarHBondContact NH1-OE1 3.31Å; G16-E18 PolarHBondContact O-N 2.83Å; E18-Q358 PolarHBondContact OE1-NE2 3.02Å; E18-I783 VanDerWaalsContact CD-CG1 3.41Å; E18-I783 HydrophobicContact CG-CG1 4.27Å; E18-I783 VanDerWaalsContact OE1-CD1 3.28Å; E18-I783 WeakPolarHBondContact OE1-CD1 3.34Å; E18-I783 WeakPolarHBondContact OE1-CG1 3.32Å; E18-I783 VanDerWaalsContact OE2-CD1 3.3Å; E18-I783 WeakPolarHBondContact OE2-CD1 3.37Å; E18-I783 WeakPolarHBondContact OE2-CG1 3.4Å
19G47.7Very low55.1Low31 Ų3183.8 Ų83.832%0.3245%0.451SS..THydrogen-bonded Turntrans84.5-0.8-175.100000116.6M17 E779M17-G19 PolarHBondContact O-N 3.46Å; G19-E779 VanDerWaalsContact CA-OE1 3.27Å; G19-E779 WeakPolarHBondContact CA-OE1 3.44Å
20K56.9Low58.3Low113 Ų11377.4 Ų77.449%0.49143%0.429SS..  trans-84.5128.2175.3-63.5-152.9-165.7176.90111.6M17 S780M17-K20 HydrophobicContact CB-CB 4.04Å; M17-K20 HydrophobicContact CB-CD 3.99Å; M17-K20 HydrophobicContact CB-CG 3.93Å; M17-K20 HydrophobicContact CE-CD 3.54Å; M17-K20 HydrophobicContact CG-CD 4.29Å; M17-K20 WeakPolarHBondContact O-CB 3.31Å; M17-K20 PolarHBondContact O-N 3.34Å; M17-K20 HydrophobicContact SD-CD 3.38Å; M17-K20 WeakPolarHBondContact SD-CD 3.24Å; M17-K20 WeakPolarHBondContact SD-CE 3.28Å; M17-K20 HydrophobicContact SD-CG 4.36Å; M17-K20 PolarHBondContact SD-NZ 2.78Å; K20-S780 PolarHBondContact O-N 2.84Å
21Y61.9Low61.6Low146 Ų14673.1 Ų73.157%0.57339%0.393SS*.EExtended strand (participates in β ladder)trans-79.8134.7176.5-65.5-76.3000111.7L777 Y778 E779Y21-L777 HydrophobicContact CD1-CB 3.79Å; Y21-L777 HydrophobicContact CE1-CB 4.36Å; Y21-Y778 CarbonylContact C-O 3.59Å; Y21-Y778 VanDerWaalsContact CA-O 3.28Å; Y21-Y778 WeakPolarHBondContact CA-O 3.25Å; Y21-E779 HydrophobicContact CE1-CB 4.47Å
22V66.7Low64.8Low13 Ų1371.2 Ų71.28%0.07938%0.382CS..EExtended strand (participates in β ladder)trans-106.7119.4173.9-179.80000109.4F27 Y57 L336 Y778V22-F27 HydrophobicContact CG1-CE2 4.01Å; V22-Y57 PolarHBondContact O-OH 3.47Å; V22-L336 HydrophobicContact CB-CD2 4.36Å; V22-L336 HydrophobicContact CG1-CD2 4.11Å; V22-L336 HydrophobicContact CG2-CD1 4.1Å; V22-L336 HydrophobicContact CG2-CD2 3.75Å; V22-Y778 PolarHBondContact N-O 3.1Å
23A71.8Confident68.3Low47 Ų4762.2 Ų62.239%0.38834%0.339SS..  trans-86.9148.7178.600000111.1G25 Q26A23-G25 PolarHBondContact O-N 2.83Å; A23-Q26 VanDerWaalsContact O-CB 3.24Å; A23-Q26 WeakPolarHBondContact O-CB 3.42Å; A23-Q26 PolarHBondContact O-N 2.93Å
24R79.8Confident71.5Confident142 Ų14257.9 Ų57.954%0.53632%0.323SS..THydrogen-bonded Turntrans-57.2132.1175-172.6172.6174.9-172.2-4.6110.7Q26 Y57 D775R24-Q26 VanDerWaalsContact C-N 3.27Å; R24-Q26 PolarHBondContact O-N 3.29Å; R24-Y57 WeakPolarHBondContact CA-O 3.36Å; R24-Y57 HydrophobicContact CB-CD2 4.3Å; R24-Y57 HydrophobicContact CB-CE2 3.67Å; R24-Y57 HydrophobicContact CG-CD2 4.06Å; R24-Y57 HydrophobicContact CG-CE2 3.9Å; R24-Y57 WeakPolarHBondContact CG-O 3.33Å; R24-Y57 PolarHBondContact N-OH 3.24Å; R24-D775 WeakPolarHBondContact CD-OD1 3.17Å; R24-D775 IonicContact CZ-OD1 3.71Å; R24-D775 IonicContact NE-OD1 3.64Å; R24-D775 IonicContact NH1-OD1 3.72Å; R24-D775 PolarHBondContact NH1-OD1 3.46Å; R24-D775 IonicContact NH1-OD2 3.37Å; R24-D775 PolarHBondContact NH1-OD2 2.99Å
25G84.3Confident74.6Confident27 Ų2752.8 Ų52.828%0.27830%0.296SS..THydrogen-bonded Turntrans74.47.5177.500000115.9A23 F27 T28 Y57 C58A23-G25 PolarHBondContact O-N 2.83Å; G25-F27 PolarHBondContact O-N 2.97Å; G25-T28 PolarHBondContact O-N 3.33Å; G25-T28 PolarHBondContact O-OG1 2.81Å; G25-Y57 PolarHBondContact N-O 3.13Å; G25-C58 CarbonylContact C-O 3.13Å; G25-C58 VanDerWaalsContact CA-O 3.28Å; G25-C58 WeakPolarHBondContact CA-O 3.37Å
26Q83.9Confident77.6Confident78 Ų7847 Ų4736%0.36426%0.259SS..THydrogen-bonded Turntrans-57.7-22.7-177179.7174.84.800114.6A23 R24 C58A23-Q26 VanDerWaalsContact O-CB 3.24Å; A23-Q26 WeakPolarHBondContact O-CB 3.42Å; A23-Q26 PolarHBondContact O-N 2.93Å; R24-Q26 VanDerWaalsContact C-N 3.27Å; R24-Q26 PolarHBondContact O-N 3.29Å; Q26-C58 PolarHBondContact N-O 3.42Å; Q26-C58 VanDerWaalsContact N-O 3.17Å
27F88.1Confident80.1Confident17 Ų1746.6 Ų46.68%0.07525%0.253CS..THydrogen-bonded Turntrans-122.837.2-174.2-55.6-82000111.5V22 G25 G29 E30 C58 M339V22-F27 HydrophobicContact CG1-CE2 4.01Å; G25-F27 PolarHBondContact O-N 2.97Å; F27-G29 PolarHBondContact O-N 3.36Å; F27-E30 HydrophobicContact CB-CG 4.28Å; F27-E30 PolarHBondContact O-N 3.11Å; F27-C58 CarbonylContact C-O 3.47Å; F27-C58 WeakPolarHBondContact CA-O 3.36Å; F27-C58 HydrophobicContact CB-CB 4.46Å; F27-C58 HydrophobicContact CD2-CB 3.84Å; F27-C58 PolarHBondContact N-O 3.06Å; F27-M339 HydrophobicContact CB-CG 4.35Å; F27-M339 HydrophobicContact CB-SD 3.67Å; F27-M339 HydrophobicContact CD1-CB 3.81Å; F27-M339 HydrophobicContact CD1-CG 3.85Å; F27-M339 HydrophobicContact CD1-SD 3.76Å; F27-M339 HydrophobicContact CD2-CB 4.35Å; F27-M339 HydrophobicContact CD2-CG 3.92Å; F27-M339 HydrophobicContact CD2-SD 4.36Å; F27-M339 HydrophobicContact CE1-CB 3.48Å; F27-M339 VanDerWaalsContact CE1-CB 3.48Å; F27-M339 HydrophobicContact CE1-CG 4Å; F27-M339 HydrophobicContact CE1-SD 4.44Å; F27-M339 HydrophobicContact CE2-CB 4.07Å; F27-M339 HydrophobicContact CE2-CG 4.08Å; F27-M339 HydrophobicContact CG-CB 4.22Å; F27-M339 HydrophobicContact CG-CG 3.79Å; F27-M339 HydrophobicContact CG-SD 3.69Å; F27-M339 HydrophobicContact CZ-CB 3.63Å; F27-M339 HydrophobicContact CZ-CG 4.12Å
28T89.1Confident82.4Confident110 Ų11045.8 Ų45.868%0.67526%0.258SS*.THydrogen-bonded Turntrans-59.2127178.1-60.80000110.9G25 G59G25-T28 PolarHBondContact O-N 3.33Å; G25-T28 PolarHBondContact O-OG1 2.81Å; T28-G59 WeakPolarHBondContact CA-O 3.42Å
29G85.6Confident84.4Confident54 Ų5443.9 Ų43.956%0.55726%0.26SS*.THydrogen-bonded Turntrans103.5-22-18000000114.1F27F27-G29 PolarHBondContact O-N 3.36Å
30E92Very high86.6Confident56 Ų5645.2 Ų45.226%0.26226%0.26SS..  trans-69143.7176.9-65.4-52.3135.400111.8F27 C60 R61 M339F27-E30 HydrophobicContact CB-CG 4.28Å; F27-E30 PolarHBondContact O-N 3.11Å; E30-C60 HydrophobicContact CB-CB 4.47Å; E30-C60 CarbonylContact O-C 3.56Å; E30-C60 WeakPolarHBondContact O-CA 3.39Å; E30-C60 WeakPolarHBondContact O-CB 3.34Å; E30-R61 PolarHBondContact O-N 3.38Å; E30-M339 HydrophobicContact CB-CE 4.31Å; E30-M339 HydrophobicContact CB-SD 4.05Å; E30-M339 HydrophobicContact CG-SD 4.11Å
31C96.1Very high88.4Confident4 Ų439.9 Ų39.93%0.02724%0.236CC..EExtended strand (participates in β ladder)trans-114.7123.8-179.6-68.20000110.9R61 F63 Q123 I124 N126C31-R61 CarbonylContact C-O 3.59Å; C31-R61 WeakPolarHBondContact CA-O 3.34Å; C31-F63 HydrophobicContact CB-CE2 4.32Å; C31-Q123 VanDerWaalsContact CB-O 3.27Å; C31-Q123 WeakPolarHBondContact CB-O 3.27Å; C31-I124 HydrophobicContact CB-CG1 4.43Å; C31-N126 WeakPolarHBondContact O-CB 3.42Å; C31-N126 PolarHBondContact O-N 3.29Å; C31-N126 PolarHBondContact O-ND2 3.48Å
32I97.6Very high90.1Very high0 Ų032.9 Ų32.90%021%0.209CC..EExtended strand (participates in β ladder)trans-114.9139.3177.8-57.9174.8000108.6V51 C60 R61 V62 F63 N126 V128 V335 L338 M339I32-V51 HydrophobicContact CG2-CG1 4.24Å; I32-C60 HydrophobicContact CD1-CB 3.9Å; I32-C60 HydrophobicContact CG1-CB 4.17Å; I32-R61 PolarHBondContact N-O 3.16Å; I32-V62 CarbonylContact O-C 3.55Å; I32-V62 VanDerWaalsContact O-CA 3.24Å; I32-V62 WeakPolarHBondContact O-CA 3.46Å; I32-F63 PolarHBondContact O-N 3.34Å; I32-N126 CarbonylContact C-O 3.56Å; I32-N126 WeakPolarHBondContact CA-O 3.35Å; I32-N126 HydrophobicContact CG1-CB 4.03Å; I32-V128 HydrophobicContact CG2-CG2 4.24Å; I32-V335 HydrophobicContact CD1-CB 4.49Å; I32-V335 HydrophobicContact CD1-CG1 3.83Å; I32-V335 HydrophobicContact CD1-CG2 4.27Å; I32-L338 HydrophobicContact CG2-CD1 3.96Å; I32-M339 HydrophobicContact CD1-CE 3.84Å; I32-M339 HydrophobicContact CG1-CE 3.94Å
33A98.4Very high91.6Very high0 Ų032.3 Ų32.30%021%0.205CC..EExtended strand (participates in β ladder)trans-118.9150.5165.800000111.7F63 I65 I124 N126 L127 V128A33-F63 CarbonylContact C-O 3.56Å; A33-F63 VanDerWaalsContact CA-O 3.28Å; A33-F63 WeakPolarHBondContact CA-O 3.46Å; A33-F63 HydrophobicContact CB-CB 4.09Å; A33-I65 HydrophobicContact CB-CD1 3.58Å; A33-I65 HydrophobicContact CB-CG1 4.09Å; A33-I124 HydrophobicContact CB-CD1 4.05Å; A33-I124 HydrophobicContact CB-CG2 3.65Å; A33-N126 PolarHBondContact N-O 2.98Å; A33-L127 HydrophobicContact CB-CD1 3.89Å; A33-V128 PolarHBondContact O-N 2.94Å
34V98.6Very high92.8Very high0 Ų030 Ų300%019%0.187CC..EExtended strand (participates in β ladder)trans-126.3134.4175.262.50000110.4V48 V51 F63 F64 I65 V128 I130V34-V48 HydrophobicContact CG1-CG1 4.27Å; V34-V48 HydrophobicContact CG2-CG2 4.19Å; V34-V51 HydrophobicContact CB-CG1 4.01Å; V34-V51 HydrophobicContact CG1-CG1 4.48Å; V34-V51 HydrophobicContact CG2-CB 4.48Å; V34-V51 HydrophobicContact CG2-CG1 4.36Å; V34-V51 HydrophobicContact CG2-CG2 4.5Å; V34-F63 PolarHBondContact N-O 2.96Å; V34-F64 HydrophobicContact CG1-CD1 3.95Å; V34-F64 HydrophobicContact CG1-CE1 4.43Å; V34-I65 PolarHBondContact O-N 3.01Å; V34-V128 WeakPolarHBondContact CA-O 3.18Å; V34-V128 HydrophobicContact CB-CB 4.35Å; V34-V128 HydrophobicContact CG2-CB 4.17Å; V34-V128 HydrophobicContact CG2-CG1 4.31Å; V34-I130 HydrophobicContact CG2-CD1 3.76Å; V34-I130 HydrophobicContact CG2-CG1 4.18Å
35L98Very high93.7Very high0 Ų023.4 Ų23.40%016%0.162CC..EExtended strand (participates in β ladder)trans-133.1145.7175.481.780.5000110.5I65 Y69 L72 L127 V128 V129 I130L35-I65 HydrophobicContact CB-CB 3.68Å; L35-I65 HydrophobicContact CB-CD1 4.07Å; L35-I65 HydrophobicContact CB-CG1 4.49Å; L35-I65 HydrophobicContact CB-CG2 3.91Å; L35-I65 HydrophobicContact CD2-CD1 4.1Å; L35-I65 HydrophobicContact CD2-CG2 4.45Å; L35-Y69 HydrophobicContact CD2-CD1 4.22Å; L35-Y69 HydrophobicContact CD2-CE1 4.1Å; L35-L72 HydrophobicContact CD2-CD2 4.3Å; L35-L127 HydrophobicContact CD2-CD1 4.21Å; L35-L127 HydrophobicContact CD2-CD2 4.36Å; L35-V128 PolarHBondContact N-O 3.46Å; L35-V129 HydrophobicContact CD1-CG1 4.15Å; L35-V129 HydrophobicContact CD2-CG2 4.32Å; L35-V129 HydrophobicContact CG-CG2 4.32Å; L35-I130 PolarHBondContact O-N 3.23Å
36T97.8Very high94.3Very high0 Ų022.1 Ų22.10%015%0.149CC..EExtended strand (participates in β ladder)trans-107.4127.8167.546.10000109.5M44 V48 G68 T96 I98 G99 I130T36-M44 HydrophobicContact CG2-CB 4.19Å; T36-M44 HydrophobicContact CG2-CG 4.47Å; T36-M44 HydrophobicContact CG2-SD 4.09Å; T36-V48 HydrophobicContact CG2-CG2 3.92Å; T36-G68 WeakPolarHBondContact O-CA 3.27Å; T36-G68 PolarHBondContact O-N 3.4Å; T36-T96 WeakPolarHBondContact CG2-OG1 3.31Å; T36-T96 WeakPolarHBondContact OG1-CB 3.32Å; T36-T96 WeakPolarHBondContact OG1-CG2 3.45Å; T36-T96 PolarHBondContact OG1-OG1 2.87Å; T36-I98 HydrophobicContact CG2-CD1 4.22Å; T36-I98 HydrophobicContact CG2-CG1 4.28Å; T36-I98 WeakPolarHBondContact OG1-CG1 3.04Å; T36-G99 PolarHBondContact OG1-O 2.92Å; T36-I130 CarbonylContact C-O 3.57Å; T36-I130 VanDerWaalsContact CA-O 3.27Å; T36-I130 WeakPolarHBondContact CA-O 3.34Å; T36-I130 HydrophobicContact CG2-CB 3.9Å; T36-I130 HydrophobicContact CG2-CD1 4.3Å; T36-I130 HydrophobicContact CG2-CG2 4.24Å
37S95Very high95Very high9 Ų918.4 Ų18.46%0.06313%0.131CC..EExtended strand (participates in β ladder)trans-137.4143.7-176.5169.80000111.9Y69 S100 I130 G131 S135S37-Y69 VanDerWaalsContact OG-CD2 3.25Å; S37-Y69 WeakPolarHBondContact OG-CD2 3.34Å; S37-Y69 WeakPolarHBondContact OG-CE2 3.4Å; S37-S100 WeakPolarHBondContact CA-OG 3.46Å; S37-I130 PolarHBondContact N-O 3.49Å; S37-G131 WeakPolarHBondContact O-CA 3.21Å; S37-S135 VanDerWaalsContact CB-OG 3.29Å; S37-S135 WeakPolarHBondContact CB-OG 3.33Å; S37-S135 PolarHBondContact O-OG 3.47Å; S37-S135 PolarHBondContact OG-OG 3.26Å
38G91Very high95.5Very high34 Ų3417.6 Ų17.635%0.35113%0.128SC..SBendtrans98.3-157.2-178.900000112.4S100G38-S100 PolarHBondContact N-OG 2.86Å; G38-S100 PolarHBondContact O-OG 2.91Å
39G91.3Very high95.9Very high41 Ų4112.7 Ų12.742%0.42310%0.097SC..SBendtrans-67.6136.8172.100000109.9M44G39-M44 WeakPolarHBondContact O-CE 3.34Å
40D94.3Very high96.5Very high59 Ų5910.1 Ų10.132%0.3167%0.07SC..  trans-69156.2175.367.3-47.9000111.3M44 G95 R315D40-M44 HydrophobicContact CB-SD 4.48Å; D40-G95 WeakPolarHBondContact OD2-CA 3.29Å; D40-R315 PolarHBondContact O-NH1 3.48Å
41A95.9Very high96.8Very high0 Ų07.4 Ų7.40%06%0.058CC..  trans-145.4142.3177.500000109.3G43 M44 I179 I190A41-G43 PolarHBondContact O-N 3.02Å; A41-M44 HydrophobicContact CB-CE 4.04Å; A41-M44 HydrophobicContact CB-CG 4.49Å; A41-M44 WeakPolarHBondContact O-CG 3.33Å; A41-M44 PolarHBondContact O-N 3.44Å; A41-I179 HydrophobicContact CB-CG2 4.02Å; A41-I190 WeakPolarHBondContact CB-O 3.4Å
42Q97.2Very high96.9Very high0 Ų07.2 Ų7.20%06%0.057CC..THydrogen-bonded Turntrans-62.7131.9179-50.589.2-36.900109.3G191 Q314 R315 G316 G317 P319Q42-G191 WeakPolarHBondContact O-CA 3.26Å; Q42-G191 PolarHBondContact O-N 3.03Å; Q42-Q314 PolarHBondContact NE2-O 3.4Å; Q42-R315 VanDerWaalsContact CD-C 3.5Å; Q42-R315 WeakPolarHBondContact CG-O 3.48Å; Q42-R315 PolarHBondContact NE2-O 3.44Å; Q42-R315 PolarHBondContact OE1-O 3.27Å; Q42-G316 PolarHBondContact NE2-O 2.97Å; Q42-G317 WeakPolarHBondContact CG-O 3.19Å; Q42-P319 HydrophobicContact CB-CB 3.89Å
43G97Very high96.8Very high0 Ų08.1 Ų8.10%06%0.06CC..THydrogen-bonded Turntrans103.6-12.7-177.100000114.2A41 N45 A46 A47 I190A41-G43 PolarHBondContact O-N 3.02Å; G43-N45 PolarHBondContact O-N 3.3Å; G43-A46 WeakPolarHBondContact O-CA 3.21Å; G43-A46 VanDerWaalsContact O-CB 3.25Å; G43-A46 WeakPolarHBondContact O-CB 3.49Å; G43-A46 PolarHBondContact O-N 3.3Å; G43-A47 PolarHBondContact O-N 2.7Å; G43-I190 VanDerWaalsContact C-CG2 3.45Å
44M98Very high96.7Very high0 Ų08.1 Ų8.10%06%0.06CC..Hα-helixtrans-55.1-39.4171-75-176.1173.900112.1T36 G39 D40 A41 A46 A47 V48 I130 G177T36-M44 HydrophobicContact CG2-CB 4.19Å; T36-M44 HydrophobicContact CG2-CG 4.47Å; T36-M44 HydrophobicContact CG2-SD 4.09Å; G39-M44 WeakPolarHBondContact O-CE 3.34Å; D40-M44 HydrophobicContact CB-SD 4.48Å; A41-M44 HydrophobicContact CB-CE 4.04Å; A41-M44 HydrophobicContact CB-CG 4.49Å; A41-M44 WeakPolarHBondContact O-CG 3.33Å; A41-M44 PolarHBondContact O-N 3.44Å; M44-A46 VanDerWaalsContact C-N 3.27Å; M44-A46 PolarHBondContact O-N 3.18Å; M44-A47 PolarHBondContact O-N 2.82Å; M44-V48 WeakPolarHBondContact O-CG2 3.39Å; M44-V48 PolarHBondContact O-N 2.89Å; M44-I130 HydrophobicContact CG-CG2 4.01Å; M44-G177 VanDerWaalsContact CE-O 3.23Å; M44-G177 WeakPolarHBondContact CE-O 3.44Å
45N98.2Very high96.6Very high2 Ų28.1 Ų8.11%0.0116%0.06CC..Hα-helixtrans-61.1-32.8174.1-73.3-41.3000113.7G43 R49 I90 L93 G94 G95 T96 K97G43-N45 PolarHBondContact O-N 3.3Å; N45-R49 WeakPolarHBondContact O-CB 3.31Å; N45-R49 PolarHBondContact O-N 3.43Å; N45-I90 HydrophobicContact CB-CB 4.34Å; N45-I90 HydrophobicContact CB-CD1 4.23Å; N45-I90 HydrophobicContact CB-CG1 4.19Å; N45-I90 VanDerWaalsContact CB-O 3.26Å; N45-I90 WeakPolarHBondContact CB-O 3.48Å; N45-I90 WeakPolarHBondContact O-CD1 3.2Å; N45-L93 PolarHBondContact ND2-O 2.94Å; N45-G94 PolarHBondContact ND2-O 2.81Å; N45-G94 VanDerWaalsContact ND2-O 3.09Å; N45-G95 PolarHBondContact ND2-O 3.43Å; N45-T96 WeakPolarHBondContact OD1-CA 3.41Å; N45-K97 WeakPolarHBondContact OD1-CB 3.48Å; N45-K97 PolarHBondContact OD1-N 3.3Å
46A98Very high96.4Very high0 Ų010.8 Ų10.80%07%0.074CC..Hα-helixtrans-67.3-43.117600000110.8G43 M44 R49 A50 L91 R324G43-A46 WeakPolarHBondContact O-CA 3.21Å; G43-A46 VanDerWaalsContact O-CB 3.25Å; G43-A46 WeakPolarHBondContact O-CB 3.49Å; G43-A46 PolarHBondContact O-N 3.3Å; M44-A46 VanDerWaalsContact C-N 3.27Å; M44-A46 PolarHBondContact O-N 3.18Å; A46-R49 PolarHBondContact O-N 3.33Å; A46-A50 PolarHBondContact O-N 3.37Å; A46-L91 HydrophobicContact CB-CD1 3.5Å; A46-L91 VanDerWaalsContact CB-CD1 3.5Å; A46-R324 WeakPolarHBondContact CB-O 3.26Å
47A98.2Very high96.2Very high0 Ų011.6 Ų11.60%08%0.077CC..Hα-helixtrans-64.7-48.2174.800000112.6G43 M44 R49 A50 V51 I130 L175 I190 G327G43-A47 PolarHBondContact O-N 2.7Å; M44-A47 PolarHBondContact O-N 2.82Å; A47-R49 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 3.48Å; A47-A50 PolarHBondContact O-N 2.99Å; A47-A50 VanDerWaalsContact O-N 3.15Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 3.22Å; A47-I130 HydrophobicContact CB-CD1 3.76Å; A47-L175 HydrophobicContact CB-CD1 3.94Å; A47-I190 HydrophobicContact CB-CD1 4.08Å; A47-G327 VanDerWaalsContact CA-O 3.23Å; A47-G327 WeakPolarHBondContact CA-O 3.38Å
48V98.5Very high96Very high0 Ų011.2 Ų11.20%07%0.074CC..Hα-helixtrans-56.4-45174.2172.60000110.8V34 T36 M44 A50 V51 V52 F64 I98 I130V34-V48 HydrophobicContact CG1-CG1 4.27Å; V34-V48 HydrophobicContact CG2-CG2 4.19Å; T36-V48 HydrophobicContact CG2-CG2 3.92Å; M44-V48 WeakPolarHBondContact O-CG2 3.39Å; M44-V48 PolarHBondContact O-N 2.89Å; V48-A50 VanDerWaalsContact C-N 3.35Å; V48-A50 PolarHBondContact O-N 3.41Å; V48-V51 PolarHBondContact O-N 3.24Å; V48-V52 WeakPolarHBondContact O-CG2 3.31Å; V48-V52 PolarHBondContact O-N 2.86Å; V48-V52 VanDerWaalsContact O-N 3.09Å; V48-F64 HydrophobicContact CG1-CD1 4.26Å; V48-F64 HydrophobicContact CG1-CE1 3.72Å; V48-I98 HydrophobicContact CG2-CD1 4.06Å; V48-I130 HydrophobicContact CG2-CD1 3.73Å
49R98.1Very high96.1Very high7 Ų710.6 Ų10.63%0.0267%0.068CC..Hα-helixtrans-58.7-46.1177174.6177.1171.5-83.62.1111.9N45 A46 A47 V52 R53 V87 I90 M771N45-R49 WeakPolarHBondContact O-CB 3.31Å; N45-R49 PolarHBondContact O-N 3.43Å; A46-R49 PolarHBondContact O-N 3.33Å; A47-R49 VanDerWaalsContact C-N 3.29Å; A47-R49 PolarHBondContact O-N 3.48Å; R49-V52 PolarHBondContact O-N 2.95Å; R49-R53 HydrophobicContact CG-CG 4.48Å; R49-R53 WeakPolarHBondContact O-CB 3.4Å; R49-R53 WeakPolarHBondContact O-CG 3.47Å; R49-R53 PolarHBondContact O-N 3.5Å; R49-V87 HydrophobicContact CB-CB 4.03Å; R49-V87 HydrophobicContact CB-CG2 4.45Å; R49-V87 HydrophobicContact CG-CB 3.99Å; R49-V87 HydrophobicContact CG-CG2 3.98Å; R49-I90 HydrophobicContact CB-CD1 4.09Å; R49-I90 HydrophobicContact CB-CG1 4.15Å; R49-M771 PolarHBondContact NH2-O 3.37Å
50A97.8Very high96.3Very high0 Ų09 Ų90%05%0.05CC..Hα-helixtrans-68.4-40.7-178.500000112.4A46 A47 V48 V52 R53 M54 S328 M771A46-A50 PolarHBondContact O-N 3.37Å; A47-A50 PolarHBondContact O-N 2.99Å; A47-A50 VanDerWaalsContact O-N 3.15Å; V48-A50 VanDerWaalsContact C-N 3.35Å; V48-A50 PolarHBondContact O-N 3.41Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.42Å; A50-R53 PolarHBondContact O-N 3.4Å; A50-M54 WeakPolarHBondContact O-CB 3.18Å; A50-M54 PolarHBondContact O-N 3.49Å; A50-S328 WeakPolarHBondContact CB-O 3.38Å; A50-M771 HydrophobicContact CB-SD 4.12Å
51V98.2Very high96.5Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-58.4-47.1174.8173.90000111I32 V34 A47 V48 G55 V128 G331 V335I32-V51 HydrophobicContact CG2-CG1 4.24Å; V34-V51 HydrophobicContact CB-CG1 4.01Å; V34-V51 HydrophobicContact CG1-CG1 4.48Å; V34-V51 HydrophobicContact CG2-CB 4.48Å; V34-V51 HydrophobicContact CG2-CG1 4.36Å; V34-V51 HydrophobicContact CG2-CG2 4.5Å; A47-V51 WeakPolarHBondContact O-CG2 3.33Å; A47-V51 PolarHBondContact O-N 3.22Å; V48-V51 PolarHBondContact O-N 3.24Å; V51-G55 PolarHBondContact O-N 2.87Å; V51-V128 HydrophobicContact CG1-CB 4.38Å; V51-V128 HydrophobicContact CG1-CG2 3.88Å; V51-V128 HydrophobicContact CG2-CB 4.4Å; V51-V128 HydrophobicContact CG2-CG1 4Å; V51-V128 HydrophobicContact CG2-CG2 4.19Å; V51-G331 WeakPolarHBondContact CG2-O 3.36Å; V51-V335 HydrophobicContact CB-CG2 4.34Å; V51-V335 HydrophobicContact CG1-CG2 3.99Å; V51-V335 WeakPolarHBondContact O-CG2 3.39Å
52V97.9Very high96.6Very high0 Ų010.7 Ų10.70%05%0.052CC..Hα-helixtrans-63.9-50.4178.5173.20000111.7V48 R49 A50 G55 I56 V62 F64 A82 V87V48-V52 WeakPolarHBondContact O-CG2 3.31Å; V48-V52 PolarHBondContact O-N 2.86Å; V48-V52 VanDerWaalsContact O-N 3.09Å; R49-V52 PolarHBondContact O-N 2.95Å; A50-V52 VanDerWaalsContact C-N 3.34Å; A50-V52 PolarHBondContact O-N 3.42Å; V52-G55 PolarHBondContact O-N 3.45Å; V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 WeakPolarHBondContact O-CB 3.32Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.45Å; V52-I56 PolarHBondContact O-N 3.21Å; V52-V62 HydrophobicContact CB-CG1 4.45Å; V52-V62 HydrophobicContact CG2-CG1 3.89Å; V52-F64 HydrophobicContact CG2-CD1 4.39Å; V52-F64 HydrophobicContact CG2-CE1 3.52Å; V52-F64 HydrophobicContact CG2-CZ 3.98Å; V52-A82 HydrophobicContact CG1-CB 4.02Å; V52-A82 HydrophobicContact CG2-CB 3.99Å; V52-V87 HydrophobicContact CB-CG1 3.8Å; V52-V87 HydrophobicContact CB-CG2 4.11Å; V52-V87 HydrophobicContact CG1-CG1 3.97Å; V52-V87 HydrophobicContact CG1-CG2 3.93Å; V52-V87 HydrophobicContact CG2-CG1 3.78Å
53R96Very high96.6Very high18 Ų1811.1 Ų11.17%0.0685%0.054CC..Hα-helixtrans-66.5-41.7-176.7-72.7-170.8175-157.2-6.7112R49 A50 Y57 W84 V87 S88 M771R49-R53 HydrophobicContact CG-CG 4.48Å; R49-R53 WeakPolarHBondContact O-CB 3.4Å; R49-R53 WeakPolarHBondContact O-CG 3.47Å; R49-R53 PolarHBondContact O-N 3.5Å; A50-R53 PolarHBondContact O-N 3.4Å; R53-Y57 VanDerWaalsContact O-CB 3.27Å; R53-Y57 WeakPolarHBondContact O-CB 3.47Å; R53-Y57 PolarHBondContact O-N 3.19Å; R53-W84 HydrophobicContact CB-CE3 4.21Å; R53-W84 HydrophobicContact CB-CH2 3.64Å; R53-W84 HydrophobicContact CB-CZ2 4.39Å; R53-W84 HydrophobicContact CB-CZ3 3.55Å; R53-W84 VanDerWaalsContact CD-CZ2 3.47Å; R53-W84 HydrophobicContact CG-CD2 4.13Å; R53-W84 HydrophobicContact CG-CE3 3.86Å; R53-W84 HydrophobicContact CG-CH2 3.61Å; R53-W84 HydrophobicContact CG-CZ2 3.89Å; R53-W84 HydrophobicContact CG-CZ3 3.62Å; R53-V87 HydrophobicContact CG-CG2 3.81Å; R53-S88 PolarHBondContact NH2-OG 3.37Å; R53-M771 HydrophobicContact CB-CE 3.87Å; R53-M771 HydrophobicContact CB-SD 3.73Å; R53-M771 WeakPolarHBondContact CD-O 3.35Å; R53-M771 HydrophobicContact CG-SD 4.5Å; R53-M771 PolarHBondContact NH1-O 2.92Å
54M95.6Very high96.7Very high0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-69.3-42.1178.4-166.163.5143.600111.4A50 I56 Y57 C58 A332 V335 L336 I770 M771 Y778A50-M54 WeakPolarHBondContact O-CB 3.18Å; A50-M54 PolarHBondContact O-N 3.49Å; M54-I56 PolarHBondContact O-N 3.37Å; M54-Y57 WeakPolarHBondContact O-CB 3.35Å; M54-Y57 PolarHBondContact O-N 3.4Å; M54-Y57 HydrophobicContact SD-CD1 4.08Å; M54-C58 WeakPolarHBondContact O-CB 3.1Å; M54-C58 PolarHBondContact O-N 2.92Å; M54-C58 PolarHBondContact O-SG 2.89Å; M54-C58 VanDerWaalsContact O-SG 3.33Å; M54-A332 HydrophobicContact CB-CB 4.32Å; M54-A332 HydrophobicContact CE-CB 4.07Å; M54-A332 HydrophobicContact CG-CB 4.17Å; M54-A332 HydrophobicContact SD-CB 4.44Å; M54-V335 HydrophobicContact CB-CB 4.18Å; M54-V335 HydrophobicContact CB-CG1 4.4Å; M54-V335 HydrophobicContact CB-CG2 4.04Å; M54-V335 HydrophobicContact CG-CB 3.96Å; M54-V335 HydrophobicContact CG-CG1 4.04Å; M54-V335 HydrophobicContact CG-CG2 4.39Å; M54-L336 HydrophobicContact CE-CD1 4.25Å; M54-L336 HydrophobicContact CE-CD2 4.22Å; M54-L336 HydrophobicContact CE-CG 4.31Å; M54-I770 HydrophobicContact SD-CG2 4.05Å; M54-M771 HydrophobicContact CB-CE 4.06Å; M54-M771 HydrophobicContact SD-CE 4.39Å; M54-Y778 HydrophobicContact CE-CD1 3.37Å; M54-Y778 HydrophobicContact CE-CD2 3.76Å; M54-Y778 HydrophobicContact CE-CE1 3.59Å; M54-Y778 HydrophobicContact CE-CE2 3.98Å; M54-Y778 HydrophobicContact CE-CG 3.43Å; M54-Y778 VanDerWaalsContact CE-CG 3.43Å
55G96.1Very high96.7Very high0 Ų011.2 Ų11.20%06%0.055CC..Hα-helixtrans-59-48.4175.200000112.1V51 V52 Y57 C58 G59 C60V51-G55 PolarHBondContact O-N 2.87Å; V52-G55 PolarHBondContact O-N 3.45Å; G55-Y57 VanDerWaalsContact C-N 3.35Å; G55-Y57 PolarHBondContact O-N 2.94Å; G55-C58 CarbonylContact O-C 3.59Å; G55-C58 WeakPolarHBondContact O-CB 3.36Å; G55-C58 PolarHBondContact O-N 2.82Å; G55-G59 PolarHBondContact O-N 3.39Å; G55-G59 VanDerWaalsContact O-N 3.16Å; G55-C60 WeakPolarHBondContact O-CB 3.32Å; G55-C60 PolarHBondContact O-N 2.94Å
56I95Very high96.7Very high57 Ų5714.5 Ų14.529%0.2927%0.067SC..Hα-helixtrans-62.7-41.9176.5-67.3169.3000111.3V52 M54 C58 G59 V62 W84V52-I56 HydrophobicContact CG1-CD1 3.74Å; V52-I56 WeakPolarHBondContact O-CB 3.32Å; V52-I56 VanDerWaalsContact O-CG1 3.27Å; V52-I56 WeakPolarHBondContact O-CG1 3.45Å; V52-I56 PolarHBondContact O-N 3.21Å; M54-I56 PolarHBondContact O-N 3.37Å; I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 2.95Å; I56-G59 PolarHBondContact O-N 2.94Å; I56-V62 HydrophobicContact CG1-CG2 4.28Å; I56-W84 HydrophobicContact CB-CE3 4.44Å; I56-W84 HydrophobicContact CD1-CB 4.41Å; I56-W84 HydrophobicContact CG2-CE3 4.23Å
57Y92.4Very high96.6Very high17 Ų1718.3 Ų18.37%0.0678%0.084CC..Hα-helixtrans-59.4-42.5176171.6-97.8000111.6V22 R24 G25 R53 M54 G55 G59 I770 S776V22-Y57 PolarHBondContact O-OH 3.47Å; R24-Y57 WeakPolarHBondContact CA-O 3.36Å; R24-Y57 HydrophobicContact CB-CD2 4.3Å; R24-Y57 HydrophobicContact CB-CE2 3.67Å; R24-Y57 HydrophobicContact CG-CD2 4.06Å; R24-Y57 HydrophobicContact CG-CE2 3.9Å; R24-Y57 WeakPolarHBondContact CG-O 3.33Å; R24-Y57 PolarHBondContact N-OH 3.24Å; G25-Y57 PolarHBondContact N-O 3.13Å; R53-Y57 VanDerWaalsContact O-CB 3.27Å; R53-Y57 WeakPolarHBondContact O-CB 3.47Å; R53-Y57 PolarHBondContact O-N 3.19Å; M54-Y57 WeakPolarHBondContact O-CB 3.35Å; M54-Y57 PolarHBondContact O-N 3.4Å; M54-Y57 HydrophobicContact SD-CD1 4.08Å; G55-Y57 VanDerWaalsContact C-N 3.35Å; G55-Y57 PolarHBondContact O-N 2.94Å; Y57-G59 PolarHBondContact O-N 3.17Å; Y57-I770 HydrophobicContact CD1-CD1 4.33Å; Y57-I770 HydrophobicContact CD1-CG2 3.88Å; Y57-I770 HydrophobicContact CD2-CG1 4.36Å; Y57-I770 HydrophobicContact CD2-CG2 3.79Å; Y57-I770 HydrophobicContact CE1-CD1 3.91Å; Y57-I770 HydrophobicContact CE1-CG1 4.4Å; Y57-I770 HydrophobicContact CE1-CG2 4.44Å; Y57-I770 HydrophobicContact CE2-CD1 4.44Å; Y57-I770 HydrophobicContact CE2-CG1 4.1Å; Y57-I770 HydrophobicContact CE2-CG2 4.37Å; Y57-I770 HydrophobicContact CG-CG2 3.54Å; Y57-S776 PolarHBondContact OH-O 3.03Å
58C91.8Very high96.5Very high0 Ų018.3 Ų18.30%08%0.084CC..Hα-helixtrans-67.5-10.8174-74.70000113.8G25 Q26 F27 M54 G55 I56G25-C58 CarbonylContact C-O 3.13Å; G25-C58 VanDerWaalsContact CA-O 3.28Å; G25-C58 WeakPolarHBondContact CA-O 3.37Å; Q26-C58 PolarHBondContact N-O 3.42Å; Q26-C58 VanDerWaalsContact N-O 3.17Å; F27-C58 CarbonylContact C-O 3.47Å; F27-C58 WeakPolarHBondContact CA-O 3.36Å; F27-C58 HydrophobicContact CB-CB 4.46Å; F27-C58 HydrophobicContact CD2-CB 3.84Å; F27-C58 PolarHBondContact N-O 3.06Å; M54-C58 WeakPolarHBondContact O-CB 3.1Å; M54-C58 PolarHBondContact O-N 2.92Å; M54-C58 PolarHBondContact O-SG 2.89Å; M54-C58 VanDerWaalsContact O-SG 3.33Å; G55-C58 CarbonylContact O-C 3.59Å; G55-C58 WeakPolarHBondContact O-CB 3.36Å; G55-C58 PolarHBondContact O-N 2.82Å; I56-C58 VanDerWaalsContact C-N 3.3Å; I56-C58 PolarHBondContact O-N 2.95Å
59G92.7Very high96.5Very high22 Ų2218.9 Ų18.923%0.2279%0.087CC..THydrogen-bonded Turntrans91.51.6-177.100000114.5T28 G55 I56 Y57T28-G59 WeakPolarHBondContact CA-O 3.42Å; G55-G59 PolarHBondContact O-N 3.39Å; G55-G59 VanDerWaalsContact O-N 3.16Å; I56-G59 PolarHBondContact O-N 2.94Å; Y57-G59 PolarHBondContact O-N 3.17Å
60C95.8Very high96.4Very high7 Ų720.4 Ų20.45%0.0479%0.094CC..  trans-74.1152.7179.2-47.70000111.3E30 I32 G55 M339E30-C60 HydrophobicContact CB-CB 4.47Å; E30-C60 CarbonylContact O-C 3.56Å; E30-C60 WeakPolarHBondContact O-CA 3.39Å; E30-C60 WeakPolarHBondContact O-CB 3.34Å; I32-C60 HydrophobicContact CD1-CB 3.9Å; I32-C60 HydrophobicContact CG1-CB 4.17Å; G55-C60 WeakPolarHBondContact O-CB 3.32Å; G55-C60 PolarHBondContact O-N 2.94Å; C60-M339 VanDerWaalsContact SG-SD 3.63Å
61R97.3Very high96.4Very high94 Ų9420.4 Ų20.436%0.3559%0.094SC..EExtended strand (participates in β ladder)trans-84.6126.3163.9-64.4174.564.4-1532.3108.3E30 C31 I32 F63 E81E30-R61 PolarHBondContact O-N 3.38Å; C31-R61 CarbonylContact C-O 3.59Å; C31-R61 WeakPolarHBondContact CA-O 3.34Å; I32-R61 PolarHBondContact N-O 3.16Å; R61-F63 HydrophobicContact CB-CE2 4.04Å; R61-E81 WeakPolarHBondContact CG-OE1 3.32Å; R61-E81 IonicContact CZ-OE1 2.76Å; R61-E81 IonicContact CZ-OE2 3.08Å; R61-E81 IonicContact NE-OE1 3.17Å; R61-E81 PolarHBondContact NE-OE1 3.31Å; R61-E81 IonicContact NE-OE2 2.7Å; R61-E81 IonicContact NH2-OE1 3.37Å; R61-E81 IonicContact NH2-OE2 3.95Å; R61-E81 PolarHBondContact NH2-OE2 2.72Å
62V98.1Very high96.4Very high1 Ų120.4 Ų20.41%0.0069%0.094CC..EExtended strand (participates in β ladder)trans-112136.5-176.9-168.90000110I32 V52 I56 A82I32-V62 CarbonylContact O-C 3.55Å; I32-V62 VanDerWaalsContact O-CA 3.24Å; I32-V62 WeakPolarHBondContact O-CA 3.46Å; V52-V62 HydrophobicContact CB-CG1 4.45Å; V52-V62 HydrophobicContact CG2-CG1 3.89Å; I56-V62 HydrophobicContact CG1-CG2 4.28Å; V62-A82 WeakPolarHBondContact O-CB 3.21Å; V62-A82 PolarHBondContact O-N 3.25Å
63F98.5Very high96.4Very high8 Ų820.6 Ų20.64%0.03510%0.095CC..EExtended strand (participates in β ladder)trans-119.3138.3-179.8-66.6-99.7000111.5C31 I32 A33 V34 R61 I79 Q80 E81 I124C31-F63 HydrophobicContact CB-CE2 4.32Å; I32-F63 PolarHBondContact O-N 3.34Å; A33-F63 CarbonylContact C-O 3.56Å; A33-F63 VanDerWaalsContact CA-O 3.28Å; A33-F63 WeakPolarHBondContact CA-O 3.46Å; A33-F63 HydrophobicContact CB-CB 4.09Å; V34-F63 PolarHBondContact N-O 2.96Å; R61-F63 HydrophobicContact CB-CE2 4.04Å; F63-I79 HydrophobicContact CB-CG2 4.31Å; F63-I79 HydrophobicContact CD1-CG2 4.08Å; F63-Q80 CarbonylContact C-O 3.56Å; F63-Q80 VanDerWaalsContact CA-O 3.26Å; F63-Q80 WeakPolarHBondContact CA-O 3.49Å; F63-E81 HydrophobicContact CD1-CB 3.97Å; F63-E81 HydrophobicContact CE1-CB 3.74Å; F63-E81 HydrophobicContact CE1-CG 4.24Å; F63-E81 HydrophobicContact CZ-CB 4.29Å; F63-E81 HydrophobicContact CZ-CG 4.3Å; F63-I124 HydrophobicContact CB-CD1 4.12Å; F63-I124 HydrophobicContact CD1-CD1 4.44Å; F63-I124 HydrophobicContact CD2-CD1 4.1Å; F63-I124 HydrophobicContact CD2-CG1 4.02Å; F63-I124 HydrophobicContact CE2-CG1 4.32Å; F63-I124 HydrophobicContact CG-CD1 3.98Å; F63-I124 HydrophobicContact CG-CG1 4.41Å
64F98.5Very high96.4Very high3 Ų324 Ų241%0.01312%0.115CC..EExtended strand (participates in β ladder)trans-81.8134.4162.3-62-49.4000110.1V34 V48 V52 I79 Q80 A82 D86 V87 I98V34-F64 HydrophobicContact CG1-CD1 3.95Å; V34-F64 HydrophobicContact CG1-CE1 4.43Å; V48-F64 HydrophobicContact CG1-CD1 4.26Å; V48-F64 HydrophobicContact CG1-CE1 3.72Å; V52-F64 HydrophobicContact CG2-CD1 4.39Å; V52-F64 HydrophobicContact CG2-CE1 3.52Å; V52-F64 HydrophobicContact CG2-CZ 3.98Å; F64-I79 WeakPolarHBondContact O-CA 3.2Å; F64-Q80 PolarHBondContact N-O 3.35Å; F64-Q80 PolarHBondContact O-N 3.28Å; F64-A82 HydrophobicContact CD1-CB 4.2Å; F64-A82 HydrophobicContact CD2-CB 3.74Å; F64-A82 HydrophobicContact CE1-CB 3.9Å; F64-A82 HydrophobicContact CE2-CB 3.38Å; F64-A82 HydrophobicContact CG-CB 4.14Å; F64-A82 HydrophobicContact CZ-CB 3.47Å; F64-A82 VanDerWaalsContact CZ-CB 3.47Å; F64-D86 HydrophobicContact CE2-CB 3.76Å; F64-D86 HydrophobicContact CZ-CB 4.04Å; F64-V87 HydrophobicContact CE1-CG1 4.03Å; F64-V87 HydrophobicContact CZ-CG1 3.66Å; F64-I98 HydrophobicContact CB-CG2 4.02Å; F64-I98 HydrophobicContact CD1-CG2 3.57Å; F64-I98 HydrophobicContact CE1-CG2 4.11Å; F64-I98 HydrophobicContact CG-CG2 3.79Å
65I98.3Very high96.4Very high0 Ų024.1 Ų24.10%012%0.116CC..EExtended strand (participates in β ladder)trans-106112161.6-63.5157.6000106.8A33 V34 L35 G68 L72 N78 I79 L127A33-I65 HydrophobicContact CB-CD1 3.58Å; A33-I65 HydrophobicContact CB-CG1 4.09Å; V34-I65 PolarHBondContact O-N 3.01Å; L35-I65 HydrophobicContact CB-CB 3.68Å; L35-I65 HydrophobicContact CB-CD1 4.07Å; L35-I65 HydrophobicContact CB-CG1 4.49Å; L35-I65 HydrophobicContact CB-CG2 3.91Å; L35-I65 HydrophobicContact CD2-CD1 4.1Å; L35-I65 HydrophobicContact CD2-CG2 4.45Å; I65-G68 WeakPolarHBondContact CG2-O 3.32Å; I65-L72 HydrophobicContact CD1-CD1 3.78Å; I65-L72 HydrophobicContact CG1-CD1 4.27Å; I65-L72 HydrophobicContact CG2-CB 3.87Å; I65-L72 HydrophobicContact CG2-CD1 4.4Å; I65-N78 CarbonylContact C-O 3.56Å; I65-N78 WeakPolarHBondContact CA-O 3.27Å; I65-I79 HydrophobicContact CG1-CG1 4.4Å; I65-L127 HydrophobicContact CD1-CD1 3.46Å; I65-L127 VanDerWaalsContact CD1-CD1 3.46Å
66R97.6Very high96.3Very high70 Ų7027 Ų2726%0.26415%0.146SC..THydrogen-bonded Turntrans-77.6154.2-179.4-66-177.5176.2-93.82.3111.5G68 G71 N78 Q80 I98R66-G68 PolarHBondContact O-N 3.49Å; R66-G68 VanDerWaalsContact O-N 3.11Å; R66-G71 WeakPolarHBondContact O-CA 3.49Å; R66-G71 PolarHBondContact O-N 3.16Å; R66-N78 HydrophobicContact CB-CB 4.42Å; R66-N78 PolarHBondContact N-O 3.27Å; R66-Q80 VanDerWaalsContact NE-OE1 3.15Å; R66-Q80 VanDerWaalsContact NH2-OE1 3.08Å; R66-I98 CarbonylContact C-O 3.12Å; R66-I98 WeakPolarHBondContact CA-O 3.37Å
67E96.7Very high96.3Very high80 Ų8032.2 Ų32.237%0.37417%0.169SC..THydrogen-bonded Turntrans55.530.8174.8-52.3-48.5133.600114.3Q70 I98 A101E67-Q70 WeakPolarHBondContact O-CB 3.38Å; E67-Q70 PolarHBondContact O-N 3.11Å; E67-I98 PolarHBondContact N-O 2.63Å; E67-A101 HydrophobicContact CB-CB 3.97Å; E67-A101 WeakPolarHBondContact O-CB 3.5Å; E67-A101 PolarHBondContact O-N 3.38Å
68G96.5Very high96.6Very high0 Ų033.3 Ų33.30%018%0.176CC..THydrogen-bonded Turntrans59.5-137.4176.800000113.6T36 I65 R66 Q70 G71 L72T36-G68 WeakPolarHBondContact O-CA 3.27Å; T36-G68 PolarHBondContact O-N 3.4Å; I65-G68 WeakPolarHBondContact CG2-O 3.32Å; R66-G68 PolarHBondContact O-N 3.49Å; R66-G68 VanDerWaalsContact O-N 3.11Å; G68-Q70 PolarHBondContact O-N 3.05Å; G68-G71 PolarHBondContact O-N 2.98Å; G68-L72 PolarHBondContact O-N 3.24Å
69Y97.4Very high96.9Very high12 Ų1233.9 Ų33.95%0.04718%0.179CC..Hα-helixtrans-62.8-25.3179.2-72.7-63.3000113.2L35 S37 L72 V73 F106 S135 A139L35-Y69 HydrophobicContact CD2-CD1 4.22Å; L35-Y69 HydrophobicContact CD2-CE1 4.1Å; S37-Y69 VanDerWaalsContact OG-CD2 3.25Å; S37-Y69 WeakPolarHBondContact OG-CD2 3.34Å; S37-Y69 WeakPolarHBondContact OG-CE2 3.4Å; Y69-L72 HydrophobicContact CD1-CD2 4.1Å; Y69-L72 HydrophobicContact CE1-CD2 4.5Å; Y69-L72 WeakPolarHBondContact O-CB 3.39Å; Y69-L72 PolarHBondContact O-N 2.63Å; Y69-V73 WeakPolarHBondContact O-CG2 3.38Å; Y69-V73 PolarHBondContact O-N 3.28Å; Y69-F106 AromaticContact CD1-CD1 3.62Å; Y69-F106 HydrophobicContact CD1-CD1 3.62Å; Y69-F106 AromaticContact CD1-CD2 3.99Å; Y69-F106 HydrophobicContact CD1-CD2 3.99Å; Y69-F106 AromaticContact CD1-CE1 3.42Å; Y69-F106 HydrophobicContact CD1-CE1 3.42Å; Y69-F106 VanDerWaalsContact CD1-CE1 3.42Å; Y69-F106 AromaticContact CD1-CE2 3.79Å; Y69-F106 HydrophobicContact CD1-CE2 3.79Å; Y69-F106 AromaticContact CD1-CG 3.9Å; Y69-F106 HydrophobicContact CD1-CG 3.9Å; Y69-F106 AromaticContact CD1-CZ 3.5Å; Y69-F106 HydrophobicContact CD1-CZ 3.5Å; Y69-F106 VanDerWaalsContact CD1-CZ 3.5Å; Y69-F106 HydrophobicContact CD2-CD1 4.31Å; Y69-F106 AromaticContact CE1-CD1 4Å; Y69-F106 HydrophobicContact CE1-CD1 4Å; Y69-F106 AromaticContact CE1-CE1 3.38Å; Y69-F106 HydrophobicContact CE1-CE1 3.38Å; Y69-F106 HydrophobicContact CE1-CE2 4.29Å; Y69-F106 AromaticContact CE1-CZ 3.55Å; Y69-F106 HydrophobicContact CE1-CZ 3.55Å; Y69-F106 HydrophobicContact CG-CB 4.49Å; Y69-F106 AromaticContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD2 4.43Å; Y69-F106 HydrophobicContact CG-CE1 4.06Å; Y69-F106 AromaticContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CZ 4.47Å; Y69-F106 AromaticContact CZ-CE1 3.99Å; Y69-S135 PolarHBondContact OH-O 3.37Å; Y69-A139 WeakPolarHBondContact OH-CA 3.09Å; Y69-A139 WeakPolarHBondContact OH-CB 3.37Å; Y69-A139 PolarHBondContact OH-N 3.31Å; Y69-A139 VanDerWaalsContact OH-N 3.11Å
70Q96.8Very high97.1Very high39 Ų3936.1 Ų36.118%0.18218%0.183CC..Hα-helixtrans-65.1-48.7178.8-171.561.750.800110.5E67 G68 L72 V73 D74 A101 C103E67-Q70 WeakPolarHBondContact O-CB 3.38Å; E67-Q70 PolarHBondContact O-N 3.11Å; G68-Q70 PolarHBondContact O-N 3.05Å; Q70-L72 PolarHBondContact O-N 2.79Å; Q70-V73 PolarHBondContact O-N 3.19Å; Q70-V73 VanDerWaalsContact O-N 3.09Å; Q70-D74 PolarHBondContact NE2-OD1 3.28Å; Q70-D74 WeakPolarHBondContact O-CB 3.45Å; Q70-D74 PolarHBondContact O-N 3.43Å; Q70-A101 HydrophobicContact CB-CB 4.04Å; Q70-C103 HydrophobicContact CB-CB 4.16Å; Q70-C103 PolarHBondContact OE1-SG 2.92Å
71G97.3Very high97.2Very high0 Ų040.5 Ų40.50%020%0.203CC..Hα-helixtrans-68.2-24.1176.900000113.6R66 G68 G75 N78R66-G71 WeakPolarHBondContact O-CA 3.49Å; R66-G71 PolarHBondContact O-N 3.16Å; G68-G71 PolarHBondContact O-N 2.98Å; G71-G75 PolarHBondContact O-N 2.79Å; G71-N78 WeakPolarHBondContact O-CB 3.26Å
72L97.4Very high97.2Very high0 Ų036.4 Ų36.40%019%0.19CC..Hα-helixtrans-64.8-41.7170-170.458.9000111.9L35 I65 G68 Y69 Q70 I79 F106 A115 N118 L119 F142L35-L72 HydrophobicContact CD2-CD2 4.3Å; I65-L72 HydrophobicContact CD1-CD1 3.78Å; I65-L72 HydrophobicContact CG1-CD1 4.27Å; I65-L72 HydrophobicContact CG2-CB 3.87Å; I65-L72 HydrophobicContact CG2-CD1 4.4Å; G68-L72 PolarHBondContact O-N 3.24Å; Y69-L72 HydrophobicContact CD1-CD2 4.1Å; Y69-L72 HydrophobicContact CE1-CD2 4.5Å; Y69-L72 WeakPolarHBondContact O-CB 3.39Å; Y69-L72 PolarHBondContact O-N 2.63Å; Q70-L72 PolarHBondContact O-N 2.79Å; L72-I79 HydrophobicContact CD1-CD1 4.34Å; L72-F106 HydrophobicContact CD2-CE2 4.06Å; L72-F106 HydrophobicContact CD2-CZ 4.45Å; L72-A115 HydrophobicContact CD2-CB 3.95Å; L72-A115 HydrophobicContact CG-CB 3.7Å; L72-N118 PolarHBondContact O-ND2 2.91Å; L72-L119 HydrophobicContact CD1-CD1 4.26Å; L72-L119 HydrophobicContact CD1-CD2 3.72Å; L72-L119 HydrophobicContact CD1-CG 3.81Å; L72-F142 HydrophobicContact CD2-CE1 4.27Å
73V97.6Very high97Very high4 Ų438.8 Ų38.82%0.02421%0.206CC..Hα-helixtrans-70.3-44.1176.3174.60000111.3Y69 Q70 D105 F106 K114 A115 N118Y69-V73 WeakPolarHBondContact O-CG2 3.38Å; Y69-V73 PolarHBondContact O-N 3.28Å; Q70-V73 PolarHBondContact O-N 3.19Å; Q70-V73 VanDerWaalsContact O-N 3.09Å; V73-D105 HydrophobicContact CG1-CB 4.14Å; V73-D105 HydrophobicContact CG2-CB 4.5Å; V73-F106 HydrophobicContact CG2-CB 4.21Å; V73-F106 HydrophobicContact CG2-CD2 3.78Å; V73-K114 HydrophobicContact CG1-CB 4.15Å; V73-K114 HydrophobicContact CG1-CD 4.02Å; V73-A115 HydrophobicContact CG2-CB 4.39Å; V73-N118 PolarHBondContact O-ND2 2.88Å
74D97Very high96.7Very high90 Ų9040.4 Ų40.448%0.48121%0.212SC..Hα-helixtrans-68.5-36.3-176.9-66.4-13000111.9Q70 N78Q70-D74 PolarHBondContact NE2-OD1 3.28Å; Q70-D74 WeakPolarHBondContact O-CB 3.45Å; Q70-D74 PolarHBondContact O-N 3.43Å; D74-N78 VanDerWaalsContact CB-ND2 3.32Å; D74-N78 WeakPolarHBondContact CB-ND2 3.48Å
75G95.5Very high96.2Very high3 Ų342.1 Ų42.13%0.03123%0.227CC..  trans64.7-153.3-178.800000113.4G71 Q77 N78 N118G71-G75 PolarHBondContact O-N 2.79Å; G75-Q77 PolarHBondContact O-N 3.27Å; G75-N78 WeakPolarHBondContact O-CB 3.38Å; G75-N78 PolarHBondContact O-N 2.97Å; G75-N78 VanDerWaalsContact O-N 3.1Å; G75-N118 VanDerWaalsContact CA-ND2 3.31Å; G75-N118 WeakPolarHBondContact CA-ND2 3.45Å; G75-N118 PolarHBondContact N-ND2 2.73Å
76G95.1Very high96Very high60 Ų6045 Ų4562%0.61924%0.243SC*.G310 helixtrans58.2-123.8176.600000112.7N78 I79G76-N78 PolarHBondContact O-N 3.34Å; G76-N78 VanDerWaalsContact O-N 3.12Å; G76-I79 PolarHBondContact O-N 2.9Å; G76-I79 VanDerWaalsContact O-N 3.12Å
77Q95Very high95.8Very high167 Ų16741.7 Ų41.778%0.7823%0.23SC*.G310 helixtrans-65.1-13-179-66.9-171.8-7.100113.9G75 I79 Q80G75-Q77 PolarHBondContact O-N 3.27Å; Q77-I79 VanDerWaalsContact C-N 3.29Å; Q77-Q80 WeakPolarHBondContact O-CG 3.37Å; Q77-Q80 PolarHBondContact O-NE2 2.95Å
78N97.4Very high95.5Very high40 Ų4039.5 Ų39.521%0.21422%0.223CC..G310 helixtrans-79.6-13.4176.1-68.3-39000113I65 R66 G71 D74 G75 G76I65-N78 CarbonylContact C-O 3.56Å; I65-N78 WeakPolarHBondContact CA-O 3.27Å; R66-N78 HydrophobicContact CB-CB 4.42Å; R66-N78 PolarHBondContact N-O 3.27Å; G71-N78 WeakPolarHBondContact O-CB 3.26Å; D74-N78 VanDerWaalsContact CB-ND2 3.32Å; D74-N78 WeakPolarHBondContact CB-ND2 3.48Å; G75-N78 WeakPolarHBondContact O-CB 3.38Å; G75-N78 PolarHBondContact O-N 2.97Å; G75-N78 VanDerWaalsContact O-N 3.1Å; G76-N78 PolarHBondContact O-N 3.34Å; G76-N78 VanDerWaalsContact O-N 3.12Å
79I98.2Very high95.1Very high11 Ų1140.5 Ų40.56%0.05623%0.234CC..EExtended strand (participates in β ladder)trans-111.2104.8174.6-55.4-180000108.1F63 F64 I65 L72 G76 Q77 N118 N122 I124F63-I79 HydrophobicContact CB-CG2 4.31Å; F63-I79 HydrophobicContact CD1-CG2 4.08Å; F64-I79 WeakPolarHBondContact O-CA 3.2Å; I65-I79 HydrophobicContact CG1-CG1 4.4Å; L72-I79 HydrophobicContact CD1-CD1 4.34Å; G76-I79 PolarHBondContact O-N 2.9Å; G76-I79 VanDerWaalsContact O-N 3.12Å; Q77-I79 VanDerWaalsContact C-N 3.29Å; I79-N118 HydrophobicContact CD1-CB 3.84Å; I79-N122 HydrophobicContact CG2-CB 4.49Å; I79-I124 HydrophobicContact CG2-CD1 3.85Å
80Q97.4Very high95Very high69 Ų6940.3 Ų40.332%0.32223%0.233SC..EExtended strand (participates in β ladder)trans-124.3132.4-172.4-62.5178.8-1.500110.8F63 F64 R66 Q77 A82F63-Q80 CarbonylContact C-O 3.56Å; F63-Q80 VanDerWaalsContact CA-O 3.26Å; F63-Q80 WeakPolarHBondContact CA-O 3.49Å; F64-Q80 PolarHBondContact N-O 3.35Å; F64-Q80 PolarHBondContact O-N 3.28Å; R66-Q80 VanDerWaalsContact NE-OE1 3.15Å; R66-Q80 VanDerWaalsContact NH2-OE1 3.08Å; Q77-Q80 WeakPolarHBondContact O-CG 3.37Å; Q77-Q80 PolarHBondContact O-NE2 2.95Å; Q80-A82 PolarHBondContact O-N 3.11Å
81E97.4Very high94.9Very high99 Ų9938.6 Ų38.646%0.46323%0.226SC..EExtended strand (participates in β ladder)trans-64.7130.1172.3-167.1161.3-172.400109.9R61 F63R61-E81 WeakPolarHBondContact CG-OE1 3.32Å; R61-E81 IonicContact CZ-OE1 2.76Å; R61-E81 IonicContact CZ-OE2 3.08Å; R61-E81 IonicContact NE-OE1 3.17Å; R61-E81 PolarHBondContact NE-OE1 3.31Å; R61-E81 IonicContact NE-OE2 2.7Å; R61-E81 IonicContact NH2-OE1 3.37Å; R61-E81 IonicContact NH2-OE2 3.95Å; R61-E81 PolarHBondContact NH2-OE2 2.72Å; F63-E81 HydrophobicContact CD1-CB 3.97Å; F63-E81 HydrophobicContact CE1-CB 3.74Å; F63-E81 HydrophobicContact CE1-CG 4.24Å; F63-E81 HydrophobicContact CZ-CB 4.29Å; F63-E81 HydrophobicContact CZ-CG 4.3Å
82A97Very high94.8Very high9 Ų939.9 Ų39.97%0.07423%0.232CC..PPolyproline II helixtrans-95.1137-176.100000110.6V52 V62 F64 Q80V52-A82 HydrophobicContact CG1-CB 4.02Å; V52-A82 HydrophobicContact CG2-CB 3.99Å; V62-A82 WeakPolarHBondContact O-CB 3.21Å; V62-A82 PolarHBondContact O-N 3.25Å; F64-A82 HydrophobicContact CD1-CB 4.2Å; F64-A82 HydrophobicContact CD2-CB 3.74Å; F64-A82 HydrophobicContact CE1-CB 3.9Å; F64-A82 HydrophobicContact CE2-CB 3.38Å; F64-A82 HydrophobicContact CG-CB 4.14Å; F64-A82 HydrophobicContact CZ-CB 3.47Å; F64-A82 VanDerWaalsContact CZ-CB 3.47Å; Q80-A82 PolarHBondContact O-N 3.11Å
83S94.3Very high94.8Very high50 Ų5043.7 Ų43.735%0.3525%0.252SS..PPolyproline II helixtrans-101.8166.317174.60000112.1A85 D86S83-A85 PolarHBondContact O-N 3.1Å; S83-A85 PolarHBondContact OG-N 2.93Å; S83-D86 WeakPolarHBondContact CA-OD2 3.5Å; S83-D86 VanDerWaalsContact CB-OD2 3.32Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact N-OD2 3.44Å; S83-D86 WeakPolarHBondContact O-CB 3.29Å; S83-D86 PolarHBondContact O-N 2.74Å; S83-D86 VanDerWaalsContact OG-CG 3.23Å; S83-D86 PolarHBondContact OG-N 2.54Å; S83-D86 PolarHBondContact OG-OD2 3.31Å
84W91.2Very high94.6Very high42 Ų4245 Ų4516%0.15927%0.265CS..THydrogen-bonded Turntrans-56.2-37.9172.3-171.4-89.5000113R53 I56 D86 S88 I770 M771 K773R53-W84 HydrophobicContact CB-CE3 4.21Å; R53-W84 HydrophobicContact CB-CH2 3.64Å; R53-W84 HydrophobicContact CB-CZ2 4.39Å; R53-W84 HydrophobicContact CB-CZ3 3.55Å; R53-W84 VanDerWaalsContact CD-CZ2 3.47Å; R53-W84 HydrophobicContact CG-CD2 4.13Å; R53-W84 HydrophobicContact CG-CE3 3.86Å; R53-W84 HydrophobicContact CG-CH2 3.61Å; R53-W84 HydrophobicContact CG-CZ2 3.89Å; R53-W84 HydrophobicContact CG-CZ3 3.62Å; I56-W84 HydrophobicContact CB-CE3 4.44Å; I56-W84 HydrophobicContact CD1-CB 4.41Å; I56-W84 HydrophobicContact CG2-CE3 4.23Å; W84-D86 VanDerWaalsContact C-N 3.34Å; W84-S88 PolarHBondContact O-OG 3.44Å; W84-I770 VanDerWaalsContact CH2-O 3.25Å; W84-I770 WeakPolarHBondContact CH2-O 3.15Å; W84-M771 WeakPolarHBondContact CZ2-O 3.49Å; W84-K773 HydrophobicContact CD2-CD 4.35Å; W84-K773 HydrophobicContact CH2-CB 3.92Å; W84-K773 HydrophobicContact CH2-CG 4.44Å; W84-K773 HydrophobicContact CZ2-CB 3.47Å; W84-K773 VanDerWaalsContact CZ2-CB 3.47Å; W84-K773 HydrophobicContact CZ2-CG 4.23Å
85A89.6Confident94.5Very high40 Ų4041.2 Ų41.233%0.33125%0.248SC..THydrogen-bonded Turntrans-69.4-33.5-178.600000111.5S83 V87 S88S83-A85 PolarHBondContact O-N 3.1Å; S83-A85 PolarHBondContact OG-N 2.93Å; A85-V87 VanDerWaalsContact C-N 3.27Å; A85-V87 PolarHBondContact O-N 3.25Å; A85-S88 WeakPolarHBondContact O-CB 3.2Å; A85-S88 PolarHBondContact O-N 2.99Å; A85-S88 PolarHBondContact O-OG 3.38Å
86D93.2Very high94.5Very high61 Ų6142.2 Ų42.233%0.32625%0.254SS..THydrogen-bonded Turntrans-60.1-36.4-177.4-70.5-52.6000112.8F64 S83 W84 S88 K97F64-D86 HydrophobicContact CE2-CB 3.76Å; F64-D86 HydrophobicContact CZ-CB 4.04Å; S83-D86 WeakPolarHBondContact CA-OD2 3.5Å; S83-D86 VanDerWaalsContact CB-OD2 3.32Å; S83-D86 WeakPolarHBondContact CB-OD2 3.46Å; S83-D86 PolarHBondContact N-OD2 3.44Å; S83-D86 WeakPolarHBondContact O-CB 3.29Å; S83-D86 PolarHBondContact O-N 2.74Å; S83-D86 VanDerWaalsContact OG-CG 3.23Å; S83-D86 PolarHBondContact OG-N 2.54Å; S83-D86 PolarHBondContact OG-OD2 3.31Å; W84-D86 VanDerWaalsContact C-N 3.34Å; D86-S88 VanDerWaalsContact C-N 3.29Å; D86-S88 PolarHBondContact O-N 2.98Å; D86-K97 PolarHBondContact O-NZ 3.02Å
87V94.6Very high94.6Very high0 Ų042.8 Ų42.80%024%0.239CC..THydrogen-bonded Turntrans-92.713.9178.8-60.50000113.4R49 V52 R53 F64 A85 I90R49-V87 HydrophobicContact CB-CB 4.03Å; R49-V87 HydrophobicContact CB-CG2 4.45Å; R49-V87 HydrophobicContact CG-CB 3.99Å; R49-V87 HydrophobicContact CG-CG2 3.98Å; V52-V87 HydrophobicContact CB-CG1 3.8Å; V52-V87 HydrophobicContact CB-CG2 4.11Å; V52-V87 HydrophobicContact CG1-CG1 3.97Å; V52-V87 HydrophobicContact CG1-CG2 3.93Å; V52-V87 HydrophobicContact CG2-CG1 3.78Å; R53-V87 HydrophobicContact CG-CG2 3.81Å; F64-V87 HydrophobicContact CE1-CG1 4.03Å; F64-V87 HydrophobicContact CZ-CG1 3.66Å; A85-V87 VanDerWaalsContact C-N 3.27Å; A85-V87 PolarHBondContact O-N 3.25Å; V87-I90 HydrophobicContact CB-CD1 3.91Å; V87-I90 HydrophobicContact CB-CG1 4.41Å; V87-I90 HydrophobicContact CG1-CD1 4.02Å
88S90.1Very high94.7Very high33 Ų3334.9 Ų34.923%0.23120%0.202CC..THydrogen-bonded Turntrans-77.9131.1174.7-63.70000110.9R53 W84 A85 D86 I90R53-S88 PolarHBondContact NH2-OG 3.37Å; W84-S88 PolarHBondContact O-OG 3.44Å; A85-S88 WeakPolarHBondContact O-CB 3.2Å; A85-S88 PolarHBondContact O-N 2.99Å; A85-S88 PolarHBondContact O-OG 3.38Å; D86-S88 VanDerWaalsContact C-N 3.29Å; D86-S88 PolarHBondContact O-N 2.98Å; S88-I90 VanDerWaalsContact C-N 3.34Å; S88-I90 PolarHBondContact O-N 3.05Å
89G88.6Confident94.6Very high21 Ų2133.7 Ų33.722%0.21620%0.199CC..THydrogen-bonded Turntrans77.514.3174.800000115.5Q92G89-Q92 PolarHBondContact O-NE2 2.81Å; G89-Q92 PolarHBondContact O-OE1 2.68Å
90I94.9Very high94.3Very high8 Ų834.7 Ų34.74%0.04121%0.207CC..  trans-98.2-11.9178.674.7171.4000113.4N45 R49 V87 S88 Q92 L93 K97N45-I90 HydrophobicContact CB-CB 4.34Å; N45-I90 HydrophobicContact CB-CD1 4.23Å; N45-I90 HydrophobicContact CB-CG1 4.19Å; N45-I90 VanDerWaalsContact CB-O 3.26Å; N45-I90 WeakPolarHBondContact CB-O 3.48Å; N45-I90 WeakPolarHBondContact O-CD1 3.2Å; R49-I90 HydrophobicContact CB-CD1 4.09Å; R49-I90 HydrophobicContact CB-CG1 4.15Å; V87-I90 HydrophobicContact CB-CD1 3.91Å; V87-I90 HydrophobicContact CB-CG1 4.41Å; V87-I90 HydrophobicContact CG1-CD1 4.02Å; S88-I90 VanDerWaalsContact C-N 3.34Å; S88-I90 PolarHBondContact O-N 3.05Å; I90-Q92 VanDerWaalsContact C-N 3.25Å; I90-Q92 PolarHBondContact O-N 2.86Å; I90-L93 HydrophobicContact CB-CD1 4.22Å; I90-L93 HydrophobicContact CG2-CD1 4.3Å; I90-L93 WeakPolarHBondContact O-CB 3.26Å; I90-L93 PolarHBondContact O-N 2.75Å; I90-K97 HydrophobicContact CD1-CD 4.39Å; I90-K97 HydrophobicContact CG2-CD 3.66Å
91L95.1Very high93.9Very high4 Ų432.7 Ų32.72%0.02120%0.202CC..THydrogen-bonded Turntrans-59.8-34.5-171.8-172.262.5000113A46 P319 R324 A605A46-L91 HydrophobicContact CB-CD1 3.5Å; A46-L91 VanDerWaalsContact CB-CD1 3.5Å; L91-P319 WeakPolarHBondContact O-CG 3.36Å; L91-R324 HydrophobicContact CD1-CB 4.2Å; L91-R324 HydrophobicContact CD1-CG 4.43Å; L91-R324 HydrophobicContact CG-CB 4.49Å; L91-R324 HydrophobicContact CG-CG 4.41Å; L91-A605 WeakPolarHBondContact CD2-O 3.38Å
92Q94.8Very high93.3Very high27 Ų2739.5 Ų39.513%0.12622%0.224CC..THydrogen-bonded Turntrans-91.3-3.1179.774.8-73.1-3.600114.4G89 I90 S318 D572G89-Q92 PolarHBondContact O-NE2 2.81Å; G89-Q92 PolarHBondContact O-OE1 2.68Å; I90-Q92 VanDerWaalsContact C-N 3.25Å; I90-Q92 PolarHBondContact O-N 2.86Å; Q92-S318 WeakPolarHBondContact O-CB 3.32Å; Q92-S318 PolarHBondContact O-OG 2.8Å; Q92-D572 WeakPolarHBondContact CB-OD1 3.26Å; Q92-D572 WeakPolarHBondContact CB-OD2 3.46Å
93L95.8Very high93Very high80 Ų8039.8 Ų39.842%0.41923%0.225SC..  trans-84.1135.3-177.6-57.7-178.6000110.3N45 I90N45-L93 PolarHBondContact ND2-O 2.94Å; I90-L93 HydrophobicContact CB-CD1 4.22Å; I90-L93 HydrophobicContact CG2-CD1 4.3Å; I90-L93 WeakPolarHBondContact O-CB 3.26Å; I90-L93 PolarHBondContact O-N 2.75Å
94G94.5Very high92.7Very high30 Ų3043.5 Ų43.531%0.30924%0.238SC..SBendtrans-68.8173.4167.200000112.8N45 G317N45-G94 PolarHBondContact ND2-O 2.81Å; N45-G94 VanDerWaalsContact ND2-O 3.09Å; G94-G317 WeakPolarHBondContact CA-O 3.2Å
95G94.9Very high92.8Very high11 Ų1143.6 Ų43.611%0.11324%0.242CC..SBendtrans59.5-143.9-179.100000113.4D40 N45D40-G95 WeakPolarHBondContact OD2-CA 3.29Å; N45-G95 PolarHBondContact ND2-O 3.43Å
96T96.3Very high93Very high25 Ų2542.3 Ų42.315%0.15323%0.229CC..  trans-134.5129.8177.7171.80000111.9T36 N45 I98 G99T36-T96 WeakPolarHBondContact CG2-OG1 3.31Å; T36-T96 WeakPolarHBondContact OG1-CB 3.32Å; T36-T96 WeakPolarHBondContact OG1-CG2 3.45Å; T36-T96 PolarHBondContact OG1-OG1 2.87Å; N45-T96 WeakPolarHBondContact OD1-CA 3.41Å; T96-I98 PolarHBondContact O-N 3.03Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.44Å; T96-I98 PolarHBondContact OG1-N 3.24Å; T96-G99 WeakPolarHBondContact CG2-O 3.41Å; T96-G99 PolarHBondContact O-N 2.56Å
97K95.7Very high92.9Very high71 Ų7148 Ų4831%0.30925%0.246SC..THydrogen-bonded Turntrans-62.8-30.2177.4172175.1176.3-151.80112.1N45 D86 I90 G99N45-K97 WeakPolarHBondContact OD1-CB 3.48Å; N45-K97 PolarHBondContact OD1-N 3.3Å; D86-K97 PolarHBondContact O-NZ 3.02Å; I90-K97 HydrophobicContact CD1-CD 4.39Å; I90-K97 HydrophobicContact CG2-CD 3.66Å; K97-G99 VanDerWaalsContact C-N 3.35Å
98I97.2Very high92.9Very high2 Ų253.5 Ų53.51%0.0127%0.272CS..THydrogen-bonded Turntrans-94.14.5-176.665.4179.4000112.4T36 V48 F64 R66 E67 T96T36-I98 HydrophobicContact CG2-CD1 4.22Å; T36-I98 HydrophobicContact CG2-CG1 4.28Å; T36-I98 WeakPolarHBondContact OG1-CG1 3.04Å; V48-I98 HydrophobicContact CG2-CD1 4.06Å; F64-I98 HydrophobicContact CB-CG2 4.02Å; F64-I98 HydrophobicContact CD1-CG2 3.57Å; F64-I98 HydrophobicContact CE1-CG2 4.11Å; F64-I98 HydrophobicContact CG-CG2 3.79Å; R66-I98 CarbonylContact C-O 3.12Å; R66-I98 WeakPolarHBondContact CA-O 3.37Å; E67-I98 PolarHBondContact N-O 2.63Å; T96-I98 PolarHBondContact O-N 3.03Å; T96-I98 WeakPolarHBondContact OG1-CG1 3.44Å; T96-I98 PolarHBondContact OG1-N 3.24Å
99G95.5Very high93.2Very high14 Ų1456.1 Ų56.114%0.14428%0.276CS..  trans73.4169.8179.200000113.2T36 T96 K97T36-G99 PolarHBondContact OG1-O 2.92Å; T96-G99 WeakPolarHBondContact CG2-O 3.41Å; T96-G99 PolarHBondContact O-N 2.56Å; K97-G99 VanDerWaalsContact C-N 3.35Å
100S92.9Very high93.5Very high33 Ų3360.5 Ų60.523%0.23129%0.287CS..  trans-156.3111177.6-178.60000108.5S37 G38S37-S100 WeakPolarHBondContact CA-OG 3.46Å; G38-S100 PolarHBondContact N-OG 2.86Å; G38-S100 PolarHBondContact O-OG 2.91Å
101A88.2Confident93.6Very high27 Ų2760.1 Ų60.122%0.22329%0.285CS..  trans-111.2148.1177.200000111E67 Q70 C103E67-A101 HydrophobicContact CB-CB 3.97Å; E67-A101 WeakPolarHBondContact O-CB 3.5Å; E67-A101 PolarHBondContact O-N 3.38Å; Q70-A101 HydrophobicContact CB-CB 4.04Å; A101-C103 PolarHBondContact O-N 3.3Å
102R84.6Confident93.7Very high242 Ų24260.8 Ų60.891%0.91329%0.288SS*.  trans-70.5125.3165.5-65.4-173.7-160.7169.55.6108
103C90.5Very high93.9Very high15 Ų1560.7 Ų60.710%0.10129%0.288CS..  trans-107.1111.6177.3-171.40000110.2Q70 A101 F106Q70-C103 HydrophobicContact CB-CB 4.16Å; Q70-C103 PolarHBondContact OE1-SG 2.92Å; A101-C103 PolarHBondContact O-N 3.3Å; C103-F106 HydrophobicContact CB-CB 4.09Å; C103-F106 VanDerWaalsContact SG-CB 3.53Å; C103-F106 PolarHBondContact SG-N 2.82Å
104M89.4Confident93.9Very high128 Ų12861.7 Ų61.763%0.63129%0.289SS*.SBendtrans-75.4-40172.4-69.2-67.8-80.300110.3F106 R107M104-F106 VanDerWaalsContact C-N 3.29Å; M104-F106 PolarHBondContact O-N 3.47Å; M104-R107 VanDerWaalsContact O-CB 3.25Å; M104-R107 WeakPolarHBondContact O-CB 3.44Å; M104-R107 PolarHBondContact O-N 3.48Å
105D92.6Very high94.1Very high44 Ų4460.2 Ų60.224%0.23527%0.274CS..G310 helixtrans-58.2-40.1-176.5-58.9-7000112.4V73 R107 E108 Y110 G111V73-D105 HydrophobicContact CG1-CB 4.14Å; V73-D105 HydrophobicContact CG2-CB 4.5Å; D105-R107 PolarHBondContact O-N 2.74Å; D105-E108 WeakPolarHBondContact O-CB 3.3Å; D105-E108 PolarHBondContact O-N 3.4Å; D105-Y110 HydrophobicContact CB-CE2 4.21Å; D105-Y110 WeakPolarHBondContact CB-OH 3.28Å; D105-Y110 PolarHBondContact OD1-OH 3.4Å; D105-G111 WeakPolarHBondContact O-CA 3.28Å
106F94.5Very high94.2Very high12 Ų1259.7 Ų59.75%0.05327%0.268CS..G310 helixtrans-69.3-16.5-179.3-158-99.3000113.6Y69 L72 V73 C103 M104 E108 R112 A115 F142Y69-F106 AromaticContact CD1-CD1 3.62Å; Y69-F106 HydrophobicContact CD1-CD1 3.62Å; Y69-F106 AromaticContact CD1-CD2 3.99Å; Y69-F106 HydrophobicContact CD1-CD2 3.99Å; Y69-F106 AromaticContact CD1-CE1 3.42Å; Y69-F106 HydrophobicContact CD1-CE1 3.42Å; Y69-F106 VanDerWaalsContact CD1-CE1 3.42Å; Y69-F106 AromaticContact CD1-CE2 3.79Å; Y69-F106 HydrophobicContact CD1-CE2 3.79Å; Y69-F106 AromaticContact CD1-CG 3.9Å; Y69-F106 HydrophobicContact CD1-CG 3.9Å; Y69-F106 AromaticContact CD1-CZ 3.5Å; Y69-F106 HydrophobicContact CD1-CZ 3.5Å; Y69-F106 VanDerWaalsContact CD1-CZ 3.5Å; Y69-F106 HydrophobicContact CD2-CD1 4.31Å; Y69-F106 AromaticContact CE1-CD1 4Å; Y69-F106 HydrophobicContact CE1-CD1 4Å; Y69-F106 AromaticContact CE1-CE1 3.38Å; Y69-F106 HydrophobicContact CE1-CE1 3.38Å; Y69-F106 HydrophobicContact CE1-CE2 4.29Å; Y69-F106 AromaticContact CE1-CZ 3.55Å; Y69-F106 HydrophobicContact CE1-CZ 3.55Å; Y69-F106 HydrophobicContact CG-CB 4.49Å; Y69-F106 AromaticContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD1 3.8Å; Y69-F106 HydrophobicContact CG-CD2 4.43Å; Y69-F106 HydrophobicContact CG-CE1 4.06Å; Y69-F106 AromaticContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CG 4Å; Y69-F106 HydrophobicContact CG-CZ 4.47Å; Y69-F106 AromaticContact CZ-CE1 3.99Å; L72-F106 HydrophobicContact CD2-CE2 4.06Å; L72-F106 HydrophobicContact CD2-CZ 4.45Å; V73-F106 HydrophobicContact CG2-CB 4.21Å; V73-F106 HydrophobicContact CG2-CD2 3.78Å; C103-F106 HydrophobicContact CB-CB 4.09Å; C103-F106 VanDerWaalsContact SG-CB 3.53Å; C103-F106 PolarHBondContact SG-N 2.82Å; M104-F106 VanDerWaalsContact C-N 3.29Å; M104-F106 PolarHBondContact O-N 3.47Å; F106-E108 VanDerWaalsContact C-N 3.26Å; F106-R112 HydrophobicContact CD1-CG 4.22Å; F106-R112 HydrophobicContact CD2-CG 4.01Å; F106-R112 HydrophobicContact CE1-CG 4.17Å; F106-R112 HydrophobicContact CE2-CB 4.5Å; F106-R112 HydrophobicContact CE2-CG 3.98Å; F106-R112 HydrophobicContact CG-CG 4.14Å; F106-R112 HydrophobicContact CZ-CG 4.07Å; F106-R112 VanDerWaalsContact O-CG 3.3Å; F106-R112 WeakPolarHBondContact O-CG 3.45Å; F106-R112 PolarHBondContact O-NH1 3.35Å; F106-R112 VanDerWaalsContact O-NH1 3.11Å; F106-A115 HydrophobicContact CD2-CB 4.03Å; F106-A115 HydrophobicContact CE2-CB 3.54Å; F106-F142 HydrophobicContact CE1-CB 4.23Å; F106-F142 HydrophobicContact CE1-CG 4.38Å; F106-F142 HydrophobicContact CE2-CD2 4.16Å; F106-F142 HydrophobicContact CE2-CE2 4.14Å; F106-F142 HydrophobicContact CE2-CG 4.38Å; F106-F142 HydrophobicContact CE2-CZ 4.32Å; F106-F142 HydrophobicContact CZ-CB 3.89Å; F106-F142 AromaticContact CZ-CD1 3.89Å; F106-F142 HydrophobicContact CZ-CD1 3.89Å; F106-F142 AromaticContact CZ-CD2 3.71Å; F106-F142 HydrophobicContact CZ-CD2 3.71Å; F106-F142 HydrophobicContact CZ-CE1 4.28Å; F106-F142 HydrophobicContact CZ-CE2 4.11Å; F106-F142 AromaticContact CZ-CG 3.57Å; F106-F142 HydrophobicContact CZ-CG 3.57Å; F106-F142 HydrophobicContact CZ-CZ 4.36Å
107R91Very high94.3Very high182 Ų18259.7 Ų59.769%0.68727%0.267SS*.G310 helixtrans-69.4-30.6170-60.7-175.4172-157.8-4.1111.3M104 D105 R112M104-R107 VanDerWaalsContact O-CB 3.25Å; M104-R107 WeakPolarHBondContact O-CB 3.44Å; M104-R107 PolarHBondContact O-N 3.48Å; D105-R107 PolarHBondContact O-N 2.74Å; R107-R112 VanDerWaalsContact C-NH1 3.29Å; R107-R112 PolarHBondContact O-NH1 3.21Å
108E94.7Very high94.4Very high115 Ų11557.4 Ų57.454%0.53726%0.258SS..SBendtrans-88.8150176.5-58.3-57.3148.500111D105 F106 Y110 G111 R112D105-E108 WeakPolarHBondContact O-CB 3.3Å; D105-E108 PolarHBondContact O-N 3.4Å; F106-E108 VanDerWaalsContact C-N 3.26Å; E108-Y110 HydrophobicContact CB-CD1 3.4Å; E108-Y110 VanDerWaalsContact CB-CD1 3.4Å; E108-Y110 HydrophobicContact CB-CE1 3.55Å; E108-Y110 HydrophobicContact CG-CD1 4.21Å; E108-Y110 HydrophobicContact CG-CE1 3.96Å; E108-Y110 PolarHBondContact O-N 3.33Å; E108-G111 PolarHBondContact O-N 3.22Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 PolarHBondContact O-NH1 3.2Å
109R95.5Very high94.4Very high88 Ų8857.3 Ų57.333%0.33226%0.257SS..Hα-helixtrans-60-35.2-179.5-172.8176.7175.5102.4-1.6112.2G111 R112 L113 S148 L149 E152R109-G111 VanDerWaalsContact C-N 3.31Å; R109-G111 PolarHBondContact O-N 2.82Å; R109-R112 PolarHBondContact O-N 2.81Å; R109-L113 PolarHBondContact O-N 3.12Å; R109-S148 PolarHBondContact NH2-OG 3.43Å; R109-L149 HydrophobicContact CG-CD2 4.21Å; R109-E152 IonicContact CZ-OE2 3.72Å; R109-E152 IonicContact NE-OE2 2.71Å; R109-E152 PolarHBondContact NE-OE2 3.42Å; R109-E152 IonicContact NH2-OE2 3.48Å; R109-E152 PolarHBondContact NH2-OE2 3.49Å
110Y95.9Very high94.4Very high112 Ų11257 Ų5744%0.43925%0.252SS..Hα-helixtrans-62.2-37.2-179.989.2-93.5000112.6D105 E108 L113 K114D105-Y110 HydrophobicContact CB-CE2 4.21Å; D105-Y110 WeakPolarHBondContact CB-OH 3.28Å; D105-Y110 PolarHBondContact OD1-OH 3.4Å; E108-Y110 HydrophobicContact CB-CD1 3.4Å; E108-Y110 VanDerWaalsContact CB-CD1 3.4Å; E108-Y110 HydrophobicContact CB-CE1 3.55Å; E108-Y110 HydrophobicContact CG-CD1 4.21Å; E108-Y110 HydrophobicContact CG-CE1 3.96Å; E108-Y110 PolarHBondContact O-N 3.33Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 3.12Å; Y110-K114 PolarHBondContact O-N 3.1Å; Y110-K114 VanDerWaalsContact O-N 3.09Å
111G96.8Very high94.5Very high0 Ų061.3 Ų61.30%027%0.267CS..Hα-helixtrans-69.3-41.9177.400000110.8D105 E108 R109 L113 K114 A115D105-G111 WeakPolarHBondContact O-CA 3.28Å; E108-G111 PolarHBondContact O-N 3.22Å; R109-G111 VanDerWaalsContact C-N 3.31Å; R109-G111 PolarHBondContact O-N 2.82Å; G111-L113 VanDerWaalsContact C-N 3.29Å; G111-L113 PolarHBondContact O-N 2.6Å; G111-K114 PolarHBondContact O-N 2.75Å; G111-A115 WeakPolarHBondContact O-CB 3.35Å; G111-A115 PolarHBondContact O-N 2.61Å
112R97.5Very high94.8Very high19 Ų1962.4 Ų62.47%0.07227%0.269CS..Hα-helixtrans-61.5-37.8173-63.6-167.3-64.5-85.411.5112.2F106 R107 E108 R109 A115 A116 F142 E145 L149F106-R112 HydrophobicContact CD1-CG 4.22Å; F106-R112 HydrophobicContact CD2-CG 4.01Å; F106-R112 HydrophobicContact CE1-CG 4.17Å; F106-R112 HydrophobicContact CE2-CB 4.5Å; F106-R112 HydrophobicContact CE2-CG 3.98Å; F106-R112 HydrophobicContact CG-CG 4.14Å; F106-R112 HydrophobicContact CZ-CG 4.07Å; F106-R112 VanDerWaalsContact O-CG 3.3Å; F106-R112 WeakPolarHBondContact O-CG 3.45Å; F106-R112 PolarHBondContact O-NH1 3.35Å; F106-R112 VanDerWaalsContact O-NH1 3.11Å; R107-R112 VanDerWaalsContact C-NH1 3.29Å; R107-R112 PolarHBondContact O-NH1 3.21Å; E108-R112 PolarHBondContact O-N 2.95Å; E108-R112 PolarHBondContact O-NH1 3.2Å; R109-R112 PolarHBondContact O-N 2.81Å; R112-A115 WeakPolarHBondContact O-CB 3.34Å; R112-A115 PolarHBondContact O-N 2.83Å; R112-A116 PolarHBondContact O-N 3.43Å; R112-F142 HydrophobicContact CB-CD2 4Å; R112-F142 HydrophobicContact CB-CE2 4.07Å; R112-F142 HydrophobicContact CG-CD2 4.2Å; R112-F142 WeakPolarHBondContact O-CE2 3.35Å; R112-E145 IonicContact CZ-OE1 3.25Å; R112-E145 IonicContact CZ-OE2 2.9Å; R112-E145 VanDerWaalsContact CZ-OE2 3.27Å; R112-E145 IonicContact NE-OE1 2.68Å; R112-E145 IonicContact NE-OE2 3.57Å; R112-E145 PolarHBondContact NE-OE2 3.14Å; R112-E145 IonicContact NH2-OE1 2.94Å; R112-E145 PolarHBondContact NH2-OE1 3.29Å; R112-E145 IonicContact NH2-OE2 3.28Å; R112-E145 PolarHBondContact NH2-OE2 2.84Å; R112-L149 HydrophobicContact CB-CD1 4.07Å; R112-L149 HydrophobicContact CB-CD2 4.36Å
113L97.2Very high95.3Very high25 Ų2555.6 Ų55.613%0.13125%0.248CC..Hα-helixtrans-60.9-48.3174.9-160.488.8000111.8R109 Y110 G111 A115 A116 E117 L149 E152 L153R109-L113 PolarHBondContact O-N 3.12Å; Y110-L113 WeakPolarHBondContact O-CB 3.4Å; Y110-L113 PolarHBondContact O-N 3.12Å; G111-L113 VanDerWaalsContact C-N 3.29Å; G111-L113 PolarHBondContact O-N 2.6Å; L113-A115 VanDerWaalsContact C-N 3.35Å; L113-A115 PolarHBondContact O-N 3.04Å; L113-A116 PolarHBondContact O-N 2.72Å; L113-E117 PolarHBondContact O-N 2.89Å; L113-L149 HydrophobicContact CB-CD2 4.4Å; L113-L149 HydrophobicContact CD1-CB 4.35Å; L113-L149 HydrophobicContact CD1-CD2 3.9Å; L113-E152 HydrophobicContact CD1-CB 3.8Å; L113-E152 VanDerWaalsContact CD1-CD 3.49Å; L113-E152 HydrophobicContact CD1-CG 3.75Å; L113-L153 HydrophobicContact CD1-CD2 4.3Å; L113-L153 HydrophobicContact CD1-CG 3.98Å; L113-L153 HydrophobicContact CD2-CD2 3.98Å; L113-L153 HydrophobicContact CG-CD2 3.74Å; L113-L153 HydrophobicContact CG-CG 3.94Å
114K97.3Very high95.6Very high100 Ų10054.9 Ų54.944%0.43524%0.243SC..Hα-helixtrans-60.6-42.9175-77.4-175.3176.8-179.20112.4V73 Y110 G111 A116 E117 N118V73-K114 HydrophobicContact CG1-CB 4.15Å; V73-K114 HydrophobicContact CG1-CD 4.02Å; Y110-K114 PolarHBondContact O-N 3.1Å; Y110-K114 VanDerWaalsContact O-N 3.09Å; G111-K114 PolarHBondContact O-N 2.75Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 3.2Å; K114-E117 WeakPolarHBondContact O-CB 3.4Å; K114-E117 PolarHBondContact O-N 2.85Å; K114-N118 VanDerWaalsContact O-CG 3.3Å; K114-N118 PolarHBondContact O-N 2.75Å; K114-N118 PolarHBondContact O-ND2 2.89Å
115A97.7Very high95.8Very high0 Ų049.5 Ų49.50%022%0.217CC..Hα-helixtrans-59.8-44.2176.300000112.3L72 V73 F106 G111 R112 L113 N118 L119 F142L72-A115 HydrophobicContact CD2-CB 3.95Å; L72-A115 HydrophobicContact CG-CB 3.7Å; V73-A115 HydrophobicContact CG2-CB 4.39Å; F106-A115 HydrophobicContact CD2-CB 4.03Å; F106-A115 HydrophobicContact CE2-CB 3.54Å; G111-A115 WeakPolarHBondContact O-CB 3.35Å; G111-A115 PolarHBondContact O-N 2.61Å; R112-A115 WeakPolarHBondContact O-CB 3.34Å; R112-A115 PolarHBondContact O-N 2.83Å; L113-A115 VanDerWaalsContact C-N 3.35Å; L113-A115 PolarHBondContact O-N 3.04Å; A115-N118 PolarHBondContact O-N 2.54Å; A115-L119 WeakPolarHBondContact O-CG 2.92Å; A115-L119 PolarHBondContact O-N 3.43Å; A115-F142 HydrophobicContact CB-CE2 4.2Å; A115-F142 HydrophobicContact CB-CZ 3.88Å
116A97.6Very high96Very high0 Ų047.4 Ų47.40%021%0.206CC..Hα-helixtrans-63.1-42.8175.700000111.8R112 L113 K114 N118 L119 V120 F142 W146 L149 L153R112-A116 PolarHBondContact O-N 3.43Å; L113-A116 PolarHBondContact O-N 2.72Å; K114-A116 VanDerWaalsContact C-N 3.35Å; K114-A116 PolarHBondContact O-N 3.2Å; A116-N118 VanDerWaalsContact C-N 3.32Å; A116-N118 PolarHBondContact O-N 2.94Å; A116-L119 PolarHBondContact O-N 3.39Å; A116-V120 WeakPolarHBondContact O-CG2 3.42Å; A116-V120 PolarHBondContact O-N 3.36Å; A116-F142 HydrophobicContact CB-CE2 4.26Å; A116-F142 HydrophobicContact CB-CZ 4.25Å; A116-W146 HydrophobicContact CB-CE3 4.11Å; A116-W146 HydrophobicContact CB-CH2 3.94Å; A116-W146 HydrophobicContact CB-CZ3 3.47Å; A116-W146 VanDerWaalsContact CB-CZ3 3.47Å; A116-L149 HydrophobicContact CB-CB 4.21Å; A116-L149 HydrophobicContact CB-CD1 4.29Å; A116-L153 HydrophobicContact CB-CD1 3.88Å
117E97.3Very high96.2Very high25 Ų2546.9 Ų46.912%0.11720%0.204CC..Hα-helixtrans-56.4-45.9174.3-170.2-174.5160.900111.5L113 K114 V120 K121 L153 K158 I159L113-E117 PolarHBondContact O-N 2.89Å; K114-E117 WeakPolarHBondContact O-CB 3.4Å; K114-E117 PolarHBondContact O-N 2.85Å; E117-V120 PolarHBondContact O-N 3.29Å; E117-K121 HydrophobicContact CG-CD 4.16Å; E117-K121 WeakPolarHBondContact O-CB 3.44Å; E117-K121 VanDerWaalsContact O-CG 3.29Å; E117-K121 WeakPolarHBondContact O-CG 3.41Å; E117-K121 PolarHBondContact O-N 2.75Å; E117-K121 VanDerWaalsContact OE1-CE 3.32Å; E117-K121 WeakPolarHBondContact OE1-CE 3.25Å; E117-K121 IonicContact OE1-NZ 3.5Å; E117-K121 PolarHBondContact OE1-NZ 3.26Å; E117-L153 HydrophobicContact CB-CD1 4.18Å; E117-L153 HydrophobicContact CB-CD2 3.88Å; E117-L153 HydrophobicContact CG-CD2 4.26Å; E117-K158 HydrophobicContact CG-CB 4.42Å; E117-I159 HydrophobicContact CG-CG2 4.37Å
118N97.7Very high96.5Very high22 Ų2238.2 Ų38.212%0.11817%0.171CC..Hα-helixtrans-66.4-40.1-179.5-71-29.5000112.9L72 V73 G75 I79 K114 A115 A116 N122L72-N118 PolarHBondContact O-ND2 2.91Å; V73-N118 PolarHBondContact O-ND2 2.88Å; G75-N118 VanDerWaalsContact CA-ND2 3.31Å; G75-N118 WeakPolarHBondContact CA-ND2 3.45Å; G75-N118 PolarHBondContact N-ND2 2.73Å; I79-N118 HydrophobicContact CD1-CB 3.84Å; K114-N118 VanDerWaalsContact O-CG 3.3Å; K114-N118 PolarHBondContact O-N 2.75Å; K114-N118 PolarHBondContact O-ND2 2.89Å; A115-N118 PolarHBondContact O-N 2.54Å; A116-N118 VanDerWaalsContact C-N 3.32Å; A116-N118 PolarHBondContact O-N 2.94Å; N118-N122 PolarHBondContact O-N 3.17Å; N118-N122 PolarHBondContact O-ND2 3.25Å
119L97.3Very high96.7Very high0 Ų032.7 Ų32.70%015%0.145CC..Hα-helixtrans-64-47.3175.7-73.4175.6000111.4L72 A115 A116 K121 N122 Q123 I124 F142 W146 L170L72-L119 HydrophobicContact CD1-CD1 4.26Å; L72-L119 HydrophobicContact CD1-CD2 3.72Å; L72-L119 HydrophobicContact CD1-CG 3.81Å; A115-L119 WeakPolarHBondContact O-CG 2.92Å; A115-L119 PolarHBondContact O-N 3.43Å; A116-L119 PolarHBondContact O-N 3.39Å; L119-K121 PolarHBondContact O-N 2.91Å; L119-N122 CarbonylContact O-C 3.56Å; L119-N122 PolarHBondContact O-N 3.28Å; L119-N122 VanDerWaalsContact O-N 3.14Å; L119-Q123 PolarHBondContact O-N 2.9Å; L119-I124 HydrophobicContact CB-CB 4.46Å; L119-I124 HydrophobicContact CD2-CB 3.76Å; L119-I124 HydrophobicContact CD2-CD1 4.03Å; L119-I124 HydrophobicContact CD2-CG2 3.64Å; L119-I124 PolarHBondContact O-N 3.35Å; L119-F142 HydrophobicContact CD1-CE1 3.7Å; L119-F142 HydrophobicContact CD1-CZ 4.03Å; L119-W146 HydrophobicContact CB-CH2 3.97Å; L119-W146 HydrophobicContact CD1-CH2 3.94Å; L119-W146 HydrophobicContact CD1-CZ3 3.99Å; L119-L170 HydrophobicContact CD1-CD1 4.12Å
120V96.2Very high96.8Very high7 Ų728.5 Ų28.54%0.04213%0.129CC..Hα-helixtrans-60.8-43.5178.2169.60000111.4A116 E117 N122 Q123 W146 L150 I159 F167A116-V120 WeakPolarHBondContact O-CG2 3.42Å; A116-V120 PolarHBondContact O-N 3.36Å; E117-V120 PolarHBondContact O-N 3.29Å; V120-N122 PolarHBondContact O-N 3.06Å; V120-Q123 PolarHBondContact O-N 3.12Å; V120-W146 HydrophobicContact CG2-CH2 4.36Å; V120-W146 HydrophobicContact CG2-CZ2 4.13Å; V120-L150 HydrophobicContact CG2-CD2 3.69Å; V120-I159 HydrophobicContact CB-CG2 4.43Å; V120-I159 HydrophobicContact CG1-CB 4.36Å; V120-I159 HydrophobicContact CG1-CD1 4.38Å; V120-I159 HydrophobicContact CG1-CG2 3.95Å; V120-F167 HydrophobicContact CG1-CD2 3.9Å; V120-F167 HydrophobicContact CG2-CB 4.27Å
121K94.8Very high96.8Very high124 Ų12423.2 Ų23.254%0.53911%0.109SC..Hα-helixtrans-60.2-32.9176.8-79.5173.3170.3175.40113.3E117 L119E117-K121 HydrophobicContact CG-CD 4.16Å; E117-K121 WeakPolarHBondContact O-CB 3.44Å; E117-K121 VanDerWaalsContact O-CG 3.29Å; E117-K121 WeakPolarHBondContact O-CG 3.41Å; E117-K121 PolarHBondContact O-N 2.75Å; E117-K121 VanDerWaalsContact OE1-CE 3.32Å; E117-K121 WeakPolarHBondContact OE1-CE 3.25Å; E117-K121 IonicContact OE1-NZ 3.5Å; E117-K121 PolarHBondContact OE1-NZ 3.26Å; L119-K121 PolarHBondContact O-N 2.91Å
122N95.1Very high96.6Very high50 Ų5023.7 Ų23.727%0.26711%0.113SC..THydrogen-bonded Turntrans-93.34.4176.9-70.7-77.5000113.2I79 N118 L119 V120 I124I79-N122 HydrophobicContact CG2-CB 4.49Å; N118-N122 PolarHBondContact O-N 3.17Å; N118-N122 PolarHBondContact O-ND2 3.25Å; L119-N122 CarbonylContact O-C 3.56Å; L119-N122 PolarHBondContact O-N 3.28Å; L119-N122 VanDerWaalsContact O-N 3.14Å; V120-N122 PolarHBondContact O-N 3.06Å; N122-I124 HydrophobicContact CB-CD1 3.59Å; N122-I124 HydrophobicContact CB-CG1 3.94Å; N122-I124 PolarHBondContact O-N 2.87Å
123Q95Very high96.1Very high100 Ų10024.9 Ų24.947%0.46712%0.122SC..THydrogen-bonded Turntrans61.428.6-179.7-47.7176.9600113.3C31 L119 V120 F167C31-Q123 VanDerWaalsContact CB-O 3.27Å; C31-Q123 WeakPolarHBondContact CB-O 3.27Å; L119-Q123 PolarHBondContact O-N 2.9Å; V120-Q123 PolarHBondContact O-N 3.12Å; Q123-F167 HydrophobicContact CB-CE1 3.75Å; Q123-F167 HydrophobicContact CB-CZ 3.65Å; Q123-F167 HydrophobicContact CG-CE1 4.28Å; Q123-F167 HydrophobicContact CG-CE2 4.34Å; Q123-F167 HydrophobicContact CG-CZ 3.64Å
124I96.3Very high95.6Very high0 Ų025.9 Ų25.90%014%0.138CC..  trans-91.5117.4-178.1-60.8160.9000109.5C31 A33 F63 I79 L119 N122C31-I124 HydrophobicContact CB-CG1 4.43Å; A33-I124 HydrophobicContact CB-CD1 4.05Å; A33-I124 HydrophobicContact CB-CG2 3.65Å; F63-I124 HydrophobicContact CB-CD1 4.12Å; F63-I124 HydrophobicContact CD1-CD1 4.44Å; F63-I124 HydrophobicContact CD2-CD1 4.1Å; F63-I124 HydrophobicContact CD2-CG1 4.02Å; F63-I124 HydrophobicContact CE2-CG1 4.32Å; F63-I124 HydrophobicContact CG-CD1 3.98Å; F63-I124 HydrophobicContact CG-CG1 4.41Å; I79-I124 HydrophobicContact CG2-CD1 3.85Å; L119-I124 HydrophobicContact CB-CB 4.46Å; L119-I124 HydrophobicContact CD2-CB 3.76Å; L119-I124 HydrophobicContact CD2-CD1 4.03Å; L119-I124 HydrophobicContact CD2-CG2 3.64Å; L119-I124 PolarHBondContact O-N 3.35Å; N122-I124 HydrophobicContact CB-CD1 3.59Å; N122-I124 HydrophobicContact CB-CG1 3.94Å; N122-I124 PolarHBondContact O-N 2.87Å
125T93.9Very high95.4Very high15 Ų1521.6 Ų21.69%0.09212%0.12CC..  trans-113.8-10.7175.5490000113.3F167 L170 N171T125-F167 HydrophobicContact CG2-CB 4.05Å; T125-F167 HydrophobicContact CG2-CD1 3.57Å; T125-F167 HydrophobicContact CG2-CG 4.27Å; T125-L170 WeakPolarHBondContact O-CA 3.5Å; T125-N171 PolarHBondContact O-N 3.05Å
126N96.9Very high95.2Very high0 Ų021.6 Ų21.60%012%0.12CC..EExtended strand (participates in β ladder)trans-120.1123.9-177.2-60.6-76000110.2C31 I32 A33 N171 L338 M339C31-N126 WeakPolarHBondContact O-CB 3.42Å; C31-N126 PolarHBondContact O-N 3.29Å; C31-N126 PolarHBondContact O-ND2 3.48Å; I32-N126 CarbonylContact C-O 3.56Å; I32-N126 WeakPolarHBondContact CA-O 3.35Å; I32-N126 HydrophobicContact CG1-CB 4.03Å; A33-N126 PolarHBondContact N-O 2.98Å; N126-N171 WeakPolarHBondContact OD1-CB 3.4Å; N126-N171 PolarHBondContact OD1-ND2 2.86Å; N126-L338 HydrophobicContact CB-CB 4.27Å; N126-L338 HydrophobicContact CB-CD1 4.07Å; N126-L338 HydrophobicContact CB-CD2 4.1Å; N126-L338 HydrophobicContact CB-CG 4.38Å; N126-M339 HydrophobicContact CB-CE 4.36Å
127L97.9Very high94.8Very high0 Ų023.3 Ų23.30%013%0.131CC..EExtended strand (participates in β ladder)trans-128.3123.5-173.9-174.566.4000111.9A33 L35 I65 V129 L170 N171 I172 V173A33-L127 HydrophobicContact CB-CD1 3.89Å; L35-L127 HydrophobicContact CD2-CD1 4.21Å; L35-L127 HydrophobicContact CD2-CD2 4.36Å; I65-L127 HydrophobicContact CD1-CD1 3.46Å; I65-L127 VanDerWaalsContact CD1-CD1 3.46Å; L127-V129 HydrophobicContact CD2-CG2 3.87Å; L127-V129 HydrophobicContact CG-CG2 3.93Å; L127-L170 HydrophobicContact CB-CD1 4.31Å; L127-N171 PolarHBondContact N-O 3.41Å; L127-I172 HydrophobicContact CB-CG1 4.33Å; L127-I172 HydrophobicContact CD2-CD1 4.39Å; L127-I172 WeakPolarHBondContact O-CA 3.28Å; L127-V173 PolarHBondContact O-N 3.28Å
128V98.4Very high94.6Very high0 Ų023 Ų230%014%0.135CC..EExtended strand (participates in β ladder)trans-96.2120.6167.2-175.70000109.3I32 A33 V34 L35 V51 I130 V173 L175 A334 L338I32-V128 HydrophobicContact CG2-CG2 4.24Å; A33-V128 PolarHBondContact O-N 2.94Å; V34-V128 WeakPolarHBondContact CA-O 3.18Å; V34-V128 HydrophobicContact CB-CB 4.35Å; V34-V128 HydrophobicContact CG2-CB 4.17Å; V34-V128 HydrophobicContact CG2-CG1 4.31Å; L35-V128 PolarHBondContact N-O 3.46Å; V51-V128 HydrophobicContact CG1-CB 4.38Å; V51-V128 HydrophobicContact CG1-CG2 3.88Å; V51-V128 HydrophobicContact CG2-CB 4.4Å; V51-V128 HydrophobicContact CG2-CG1 4Å; V51-V128 HydrophobicContact CG2-CG2 4.19Å; V128-I130 HydrophobicContact CG1-CG1 4.09Å; V128-V173 WeakPolarHBondContact CA-O 3.46Å; V128-L175 HydrophobicContact CG1-CD1 4.06Å; V128-L175 HydrophobicContact CG1-CG 4.1Å; V128-A334 HydrophobicContact CG1-CB 4.27Å; V128-A334 HydrophobicContact CG2-CB 4.26Å; V128-L338 HydrophobicContact CG2-CD1 3.37Å
129V97.9Very high94.4Very high0 Ų022 Ų220%013%0.129CC..EExtended strand (participates in β ladder)trans-108.6115176.7178.80000109.1L35 L127 L136 A139 I172 V173 G174 L175L35-V129 HydrophobicContact CD1-CG1 4.15Å; L35-V129 HydrophobicContact CD2-CG2 4.32Å; L35-V129 HydrophobicContact CG-CG2 4.32Å; L127-V129 HydrophobicContact CD2-CG2 3.87Å; L127-V129 HydrophobicContact CG-CG2 3.93Å; V129-L136 HydrophobicContact CB-CD2 4.31Å; V129-L136 HydrophobicContact CG1-CD2 4.08Å; V129-A139 HydrophobicContact CB-CB 4.23Å; V129-A139 HydrophobicContact CG1-CB 4.23Å; V129-A139 HydrophobicContact CG2-CB 3.87Å; V129-I172 HydrophobicContact CG2-CG2 4.27Å; V129-V173 PolarHBondContact N-O 2.87Å; V129-G174 CarbonylContact O-C 3.57Å; V129-G174 WeakPolarHBondContact O-CA 3.33Å; V129-L175 PolarHBondContact O-N 3.27Å
130I97.9Very high94.1Very high0 Ų023.8 Ų23.80%014%0.139CC..EExtended strand (participates in β ladder)trans-104.2118.9177.2-47.6-179.2000108.7V34 L35 T36 S37 M44 A47 V48 V128 L175V34-I130 HydrophobicContact CG2-CD1 3.76Å; V34-I130 HydrophobicContact CG2-CG1 4.18Å; L35-I130 PolarHBondContact O-N 3.23Å; T36-I130 CarbonylContact C-O 3.57Å; T36-I130 VanDerWaalsContact CA-O 3.27Å; T36-I130 WeakPolarHBondContact CA-O 3.34Å; T36-I130 HydrophobicContact CG2-CB 3.9Å; T36-I130 HydrophobicContact CG2-CD1 4.3Å; T36-I130 HydrophobicContact CG2-CG2 4.24Å; S37-I130 PolarHBondContact N-O 3.49Å; M44-I130 HydrophobicContact CG-CG2 4.01Å; A47-I130 HydrophobicContact CB-CD1 3.76Å; V48-I130 HydrophobicContact CG2-CD1 3.73Å; V128-I130 HydrophobicContact CG1-CG1 4.09Å; I130-L175 WeakPolarHBondContact CA-O 3.28Å; I130-L175 HydrophobicContact CB-CB 4.4Å; I130-L175 HydrophobicContact CD1-CD1 4.18Å; I130-L175 HydrophobicContact CG1-CB 4.1Å; I130-L175 HydrophobicContact CG1-CD1 4.05Å; I130-L175 HydrophobicContact CG1-CG 4.39Å; I130-L175 HydrophobicContact CG2-CB 4.23Å
131G95.3Very high93.9Very high0 Ų027 Ų270%016%0.155CC..EExtended strand (participates in β ladder)trans172.7-171.7179.700000114.4S37 L175 V176 G177S37-G131 WeakPolarHBondContact O-CA 3.21Å; G131-L175 PolarHBondContact N-O 3.09Å; G131-V176 CarbonylContact O-C 3.51Å; G131-V176 WeakPolarHBondContact O-CA 3.44Å; G131-G177 CarbonylContact C-O 3.58Å; G131-G177 VanDerWaalsContact C-O 3.29Å; G131-G177 PolarHBondContact O-N 3.3Å
132G92.6Very high93.9Very high10 Ų1021.1 Ų21.110%0.10313%0.13CC..  trans-78.2-175.5175.800000113.9G134 S135 L136 G177G132-G134 VanDerWaalsContact C-N 3.33Å; G132-G134 PolarHBondContact O-N 3Å; G132-S135 WeakPolarHBondContact O-CB 3.28Å; G132-S135 PolarHBondContact O-N 3.16Å; G132-S135 VanDerWaalsContact O-N 3.07Å; G132-L136 PolarHBondContact O-N 2.8Å; G132-L136 VanDerWaalsContact O-N 3.16Å; G132-G177 PolarHBondContact N-O 3.28Å
133D87.5Confident93.8Very high45 Ų4521.9 Ų21.924%0.24113%0.129CC..Hα-helixtrans-46.4-48.1178.171.1-46.3000114.4S135 L136 T137 F183 R224 T371D133-S135 VanDerWaalsContact C-N 3.34Å; D133-S135 PolarHBondContact O-N 3.33Å; D133-L136 PolarHBondContact O-N 3.33Å; D133-T137 WeakPolarHBondContact O-CB 3.46Å; D133-T137 PolarHBondContact O-N 2.9Å; D133-T137 PolarHBondContact O-OG1 3.44Å; D133-F183 HydrophobicContact CB-CD2 4.1Å; D133-R224 IonicContact OD1-CZ 2.63Å; D133-R224 IonicContact OD1-NH1 3.4Å; D133-R224 PolarHBondContact OD1-NH1 2.88Å; D133-R224 IonicContact OD1-NH2 3.25Å; D133-R224 IonicContact OD2-NH1 2.69Å; D133-T371 HydrophobicContact CB-CG2 4.38Å
134G87.8Confident93.6Very high46 Ų4620.9 Ų20.947%0.47414%0.138SC..Hα-helixtrans-66.1-37.2-178.500000112.5G132 G138G132-G134 VanDerWaalsContact C-N 3.33Å; G132-G134 PolarHBondContact O-N 3Å; G134-G138 PolarHBondContact O-N 3.21Å
135S93.4Very high93.6Very high9 Ų922.7 Ų22.76%0.06315%0.146CC..Hα-helixtrans-66.9-42.5178.2-63.30000111.4S37 Y69 G132 D133 G138 A139S37-S135 VanDerWaalsContact CB-OG 3.29Å; S37-S135 WeakPolarHBondContact CB-OG 3.33Å; S37-S135 PolarHBondContact O-OG 3.47Å; S37-S135 PolarHBondContact OG-OG 3.26Å; Y69-S135 PolarHBondContact OH-O 3.37Å; G132-S135 WeakPolarHBondContact O-CB 3.28Å; G132-S135 PolarHBondContact O-N 3.16Å; G132-S135 VanDerWaalsContact O-N 3.07Å; D133-S135 VanDerWaalsContact C-N 3.34Å; D133-S135 PolarHBondContact O-N 3.33Å; S135-G138 PolarHBondContact O-N 3.49Å; S135-A139 PolarHBondContact O-N 2.87Å
136L92.9Very high93.6Very high0 Ų022.2 Ų22.20%014%0.143CC..Hα-helixtrans-71.9-35179.1-64.7-174.4000112.4V129 G132 D133 A139 N140 G174 V176 F183 V351 L364V129-L136 HydrophobicContact CB-CD2 4.31Å; V129-L136 HydrophobicContact CG1-CD2 4.08Å; G132-L136 PolarHBondContact O-N 2.8Å; G132-L136 VanDerWaalsContact O-N 3.16Å; D133-L136 PolarHBondContact O-N 3.33Å; L136-A139 WeakPolarHBondContact O-CB 3.4Å; L136-A139 PolarHBondContact O-N 3.43Å; L136-N140 PolarHBondContact O-N 3Å; L136-G174 VanDerWaalsContact CD2-CA 3.48Å; L136-V176 HydrophobicContact CD1-CG2 3.81Å; L136-F183 HydrophobicContact CB-CE2 4.24Å; L136-F183 HydrophobicContact CB-CZ 4.5Å; L136-F183 HydrophobicContact CD1-CD2 4.28Å; L136-F183 HydrophobicContact CD1-CE1 4.18Å; L136-F183 HydrophobicContact CD1-CE2 3.72Å; L136-F183 HydrophobicContact CD1-CZ 3.65Å; L136-V351 HydrophobicContact CD1-CG1 4.49Å; L136-V351 HydrophobicContact CD1-CG2 4.21Å; L136-L364 HydrophobicContact CB-CD1 3.89Å
137T89.2Confident93.5Very high37 Ų3725.6 Ų25.623%0.22717%0.167CC..Hα-helixtrans-61.2-46.5170.6-59.10000111.3D133 A139 N140 L141 V368 R372D133-T137 WeakPolarHBondContact O-CB 3.46Å; D133-T137 PolarHBondContact O-N 2.9Å; D133-T137 PolarHBondContact O-OG1 3.44Å; T137-A139 VanDerWaalsContact C-N 3.3Å; T137-A139 PolarHBondContact O-N 3.24Å; T137-N140 PolarHBondContact O-N 3.48Å; T137-L141 PolarHBondContact O-N 2.86Å; T137-L141 VanDerWaalsContact O-N 3.1Å; T137-V368 HydrophobicContact CG2-CG1 4.16Å; T137-V368 WeakPolarHBondContact OG1-CG1 3.32Å; T137-R372 VanDerWaalsContact CG2-NH2 3.26Å
138G92.1Very high93.4Very high19 Ų1927.9 Ų27.920%0.19618%0.183CC..Hα-helixtrans-61.4-38.8175.900000112.5G134 S135 L141 F142G134-G138 PolarHBondContact O-N 3.21Å; S135-G138 PolarHBondContact O-N 3.49Å; G138-L141 PolarHBondContact O-N 3.3Å; G138-F142 WeakPolarHBondContact O-CB 3.44Å; G138-F142 PolarHBondContact O-N 2.7Å
139A93.8Very high93.4Very high0 Ų027.9 Ų27.90%018%0.183CC..Hα-helixtrans-63-45.6176.700000111.3Y69 V129 S135 L136 T137 L141 F142 R143 I172Y69-A139 WeakPolarHBondContact OH-CA 3.09Å; Y69-A139 WeakPolarHBondContact OH-CB 3.37Å; Y69-A139 PolarHBondContact OH-N 3.31Å; Y69-A139 VanDerWaalsContact OH-N 3.11Å; V129-A139 HydrophobicContact CB-CB 4.23Å; V129-A139 HydrophobicContact CG1-CB 4.23Å; V129-A139 HydrophobicContact CG2-CB 3.87Å; S135-A139 PolarHBondContact O-N 2.87Å; L136-A139 WeakPolarHBondContact O-CB 3.4Å; L136-A139 PolarHBondContact O-N 3.43Å; T137-A139 VanDerWaalsContact C-N 3.3Å; T137-A139 PolarHBondContact O-N 3.24Å; A139-L141 PolarHBondContact O-N 2.81Å; A139-F142 PolarHBondContact O-N 3.39Å; A139-R143 PolarHBondContact O-N 2.97Å; A139-I172 HydrophobicContact CB-CD1 4.19Å; A139-I172 HydrophobicContact CB-CG2 3.93Å; A139-I172 WeakPolarHBondContact O-CD1 3.41Å
140N90.7Very high93.3Very high37 Ų3728.3 Ų28.320%0.19819%0.185CC..Hα-helixtrans-59.8-46.5177.7-172.258.8000112.2L136 T137 F142 R143 A144 L364 V365L136-N140 PolarHBondContact O-N 3Å; T137-N140 PolarHBondContact O-N 3.48Å; N140-F142 VanDerWaalsContact C-N 3.32Å; N140-F142 PolarHBondContact O-N 2.83Å; N140-R143 PolarHBondContact O-N 2.98Å; N140-A144 PolarHBondContact O-N 2.71Å; N140-L364 HydrophobicContact CB-CD2 3.72Å; N140-L364 HydrophobicContact CB-CG 4.12Å; N140-V365 VanDerWaalsContact OD1-CG2 3.31Å; N140-V365 WeakPolarHBondContact OD1-CG2 3.38Å
141L92.2Very high93.2Very high76 Ų7634.5 Ų34.540%0.39821%0.214SC..Hα-helixtrans-60.3-43.8176.7-179.863.1000111.3T137 G138 A139 R143 A144 E145T137-L141 PolarHBondContact O-N 2.86Å; T137-L141 VanDerWaalsContact O-N 3.1Å; G138-L141 PolarHBondContact O-N 3.3Å; A139-L141 PolarHBondContact O-N 2.81Å; L141-R143 PolarHBondContact O-N 3.09Å; L141-A144 PolarHBondContact O-N 3.1Å; L141-E145 HydrophobicContact CD1-CG 4.1Å; L141-E145 HydrophobicContact CG-CG 4.46Å; L141-E145 PolarHBondContact O-N 2.89Å
142F95.6Very high93.2Very high0 Ų038.1 Ų38.10%023%0.23CC..Hα-helixtrans-62.2-41.4-179.5-173.9-130.3000112.7L72 F106 R112 A115 A116 L119 G138 A139 N140 E145 W146 L149 L170L72-F142 HydrophobicContact CD2-CE1 4.27Å; F106-F142 HydrophobicContact CE1-CB 4.23Å; F106-F142 HydrophobicContact CE1-CG 4.38Å; F106-F142 HydrophobicContact CE2-CD2 4.16Å; F106-F142 HydrophobicContact CE2-CE2 4.14Å; F106-F142 HydrophobicContact CE2-CG 4.38Å; F106-F142 HydrophobicContact CE2-CZ 4.32Å; F106-F142 HydrophobicContact CZ-CB 3.89Å; F106-F142 AromaticContact CZ-CD1 3.89Å; F106-F142 HydrophobicContact CZ-CD1 3.89Å; F106-F142 AromaticContact CZ-CD2 3.71Å; F106-F142 HydrophobicContact CZ-CD2 3.71Å; F106-F142 HydrophobicContact CZ-CE1 4.28Å; F106-F142 HydrophobicContact CZ-CE2 4.11Å; F106-F142 AromaticContact CZ-CG 3.57Å; F106-F142 HydrophobicContact CZ-CG 3.57Å; F106-F142 HydrophobicContact CZ-CZ 4.36Å; R112-F142 HydrophobicContact CB-CD2 4Å; R112-F142 HydrophobicContact CB-CE2 4.07Å; R112-F142 HydrophobicContact CG-CD2 4.2Å; R112-F142 WeakPolarHBondContact O-CE2 3.35Å; A115-F142 HydrophobicContact CB-CE2 4.2Å; A115-F142 HydrophobicContact CB-CZ 3.88Å; A116-F142 HydrophobicContact CB-CE2 4.26Å; A116-F142 HydrophobicContact CB-CZ 4.25Å; L119-F142 HydrophobicContact CD1-CE1 3.7Å; L119-F142 HydrophobicContact CD1-CZ 4.03Å; G138-F142 WeakPolarHBondContact O-CB 3.44Å; G138-F142 PolarHBondContact O-N 2.7Å; A139-F142 PolarHBondContact O-N 3.39Å; N140-F142 VanDerWaalsContact C-N 3.32Å; N140-F142 PolarHBondContact O-N 2.83Å; F142-E145 PolarHBondContact O-N 3.13Å; F142-W146 HydrophobicContact CE1-CE3 4.31Å; F142-W146 AromaticContact CE1-CZ3 3.92Å; F142-W146 HydrophobicContact CE1-CZ3 3.92Å; F142-W146 HydrophobicContact CE2-CE3 4.28Å; F142-W146 HydrophobicContact CE2-CZ3 4.16Å; F142-W146 HydrophobicContact CZ-CE3 4.04Å; F142-W146 AromaticContact CZ-CZ3 3.55Å; F142-W146 HydrophobicContact CZ-CZ3 3.55Å; F142-W146 PolarHBondContact O-N 3.32Å; F142-L149 HydrophobicContact CD2-CD1 3.84Å; F142-L149 HydrophobicContact CE2-CD1 3.69Å; F142-L170 HydrophobicContact CD1-CD2 3.54Å; F142-L170 HydrophobicContact CE1-CD2 3.6Å; F142-L170 HydrophobicContact CG-CD2 4.43Å
143R92.9Very high93.4Very high66 Ų6637.6 Ų37.625%0.24923%0.225CC..Hα-helixtrans-63.5-43.8172.6-178.3175.4-174.9-121.95.8112.2A139 N140 L141 E145 W146 L170 I172 L347 S349A139-R143 PolarHBondContact O-N 2.97Å; N140-R143 PolarHBondContact O-N 2.98Å; L141-R143 PolarHBondContact O-N 3.09Å; R143-E145 VanDerWaalsContact C-N 3.31Å; R143-E145 PolarHBondContact O-N 3.06Å; R143-W146 VanDerWaalsContact O-CB 3.26Å; R143-W146 WeakPolarHBondContact O-CB 3.2Å; R143-W146 PolarHBondContact O-N 3.32Å; R143-L170 WeakPolarHBondContact CG-O 3.33Å; R143-L170 PolarHBondContact NE-O 2.95Å; R143-I172 HydrophobicContact CB-CD1 3.78Å; R143-I172 HydrophobicContact CB-CG1 4.21Å; R143-L347 PolarHBondContact NH2-O 2.82Å; R143-L347 VanDerWaalsContact NH2-O 3.11Å; R143-S349 PolarHBondContact NH1-OG 3.35Å
144A91.4Very high93.8Very high79 Ų7937.5 Ų37.565%0.65323%0.226SC*.Hα-helixtrans-64.5-36.4-179.500000112.3N140 L141 W146N140-A144 PolarHBondContact O-N 2.71Å; L141-A144 PolarHBondContact O-N 3.1Å; A144-W146 VanDerWaalsContact C-N 3.34Å
145E95Very high94.2Very high38 Ų3840.9 Ų40.918%0.17824%0.238CC..Hα-helixtrans-82.2-8.4178.1-69.4-175.1179.500113.8R112 L141 F142 R143 S147 S148 L149R112-E145 IonicContact CZ-OE1 3.25Å; R112-E145 IonicContact CZ-OE2 2.9Å; R112-E145 VanDerWaalsContact CZ-OE2 3.27Å; R112-E145 IonicContact NE-OE1 2.68Å; R112-E145 IonicContact NE-OE2 3.57Å; R112-E145 PolarHBondContact NE-OE2 3.14Å; R112-E145 IonicContact NH2-OE1 2.94Å; R112-E145 PolarHBondContact NH2-OE1 3.29Å; R112-E145 IonicContact NH2-OE2 3.28Å; R112-E145 PolarHBondContact NH2-OE2 2.84Å; L141-E145 HydrophobicContact CD1-CG 4.1Å; L141-E145 HydrophobicContact CG-CG 4.46Å; L141-E145 PolarHBondContact O-N 2.89Å; F142-E145 PolarHBondContact O-N 3.13Å; R143-E145 VanDerWaalsContact C-N 3.31Å; R143-E145 PolarHBondContact O-N 3.06Å; E145-S147 PolarHBondContact O-N 3.09Å; E145-S148 WeakPolarHBondContact O-CB 3.35Å; E145-S148 PolarHBondContact O-N 3.49Å; E145-L149 HydrophobicContact CB-CD1 4.17Å; E145-L149 HydrophobicContact CB-CG 4.2Å; E145-L149 WeakPolarHBondContact O-CG 3.5Å; E145-L149 PolarHBondContact O-N 3.45Å
146W95.3Very high94.2Very high4 Ų443.2 Ų43.22%0.01525%0.254CS..Hα-helixtrans-50-52.9-168.2-172.4-109000114A116 L119 V120 F142 R143 A144 S148 L149 L150 F167 L170A116-W146 HydrophobicContact CB-CE3 4.11Å; A116-W146 HydrophobicContact CB-CH2 3.94Å; A116-W146 HydrophobicContact CB-CZ3 3.47Å; A116-W146 VanDerWaalsContact CB-CZ3 3.47Å; L119-W146 HydrophobicContact CB-CH2 3.97Å; L119-W146 HydrophobicContact CD1-CH2 3.94Å; L119-W146 HydrophobicContact CD1-CZ3 3.99Å; V120-W146 HydrophobicContact CG2-CH2 4.36Å; V120-W146 HydrophobicContact CG2-CZ2 4.13Å; F142-W146 HydrophobicContact CE1-CE3 4.31Å; F142-W146 AromaticContact CE1-CZ3 3.92Å; F142-W146 HydrophobicContact CE1-CZ3 3.92Å; F142-W146 HydrophobicContact CE2-CE3 4.28Å; F142-W146 HydrophobicContact CE2-CZ3 4.16Å; F142-W146 HydrophobicContact CZ-CE3 4.04Å; F142-W146 AromaticContact CZ-CZ3 3.55Å; F142-W146 HydrophobicContact CZ-CZ3 3.55Å; F142-W146 PolarHBondContact O-N 3.32Å; R143-W146 VanDerWaalsContact O-CB 3.26Å; R143-W146 WeakPolarHBondContact O-CB 3.2Å; R143-W146 PolarHBondContact O-N 3.32Å; A144-W146 VanDerWaalsContact C-N 3.34Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.39Å; W146-L149 WeakPolarHBondContact O-CB 3.49Å; W146-L149 PolarHBondContact O-N 2.92Å; W146-L149 VanDerWaalsContact O-N 3.14Å; W146-L150 HydrophobicContact CZ2-CD2 4.2Å; W146-L150 WeakPolarHBondContact O-CG 3.35Å; W146-L150 PolarHBondContact O-N 3.35Å; W146-F167 PolarHBondContact NE1-O 3.22Å; W146-F167 VanDerWaalsContact NE1-O 3.08Å; W146-L170 HydrophobicContact CB-CB 4.4Å; W146-L170 HydrophobicContact CD2-CB 3.57Å; W146-L170 HydrophobicContact CD2-CD2 4.08Å; W146-L170 HydrophobicContact CD2-CG 4.38Å; W146-L170 HydrophobicContact CE3-CB 4Å; W146-L170 HydrophobicContact CE3-CD2 3.6Å; W146-L170 HydrophobicContact CE3-CG 4.32Å; W146-L170 HydrophobicContact CG-CB 3.74Å; W146-L170 HydrophobicContact CH2-CD1 4.43Å; W146-L170 HydrophobicContact CZ2-CB 4.29Å; W146-L170 HydrophobicContact CZ3-CD2 3.85Å
147S94.2Very high94.2Very high72 Ų7250.3 Ų50.350%0.50329%0.292SS..Hα-helixtrans-58.7-42.6-179.6-48.80000112.1E145 L149 L150 E151E145-S147 PolarHBondContact O-N 3.09Å; S147-L149 PolarHBondContact O-N 2.77Å; S147-L150 PolarHBondContact O-N 2.93Å; S147-E151 WeakPolarHBondContact O-CG 3.38Å; S147-E151 PolarHBondContact O-N 2.87Å
148S96.5Very high94.4Very high48 Ų4854.2 Ų54.234%0.33631%0.306SS..Hα-helixtrans-67.9-35.8179.4-175.50000112R109 E145 W146 E152R109-S148 PolarHBondContact NH2-OG 3.43Å; E145-S148 WeakPolarHBondContact O-CB 3.35Å; E145-S148 PolarHBondContact O-N 3.49Å; W146-S148 VanDerWaalsContact C-N 3.3Å; W146-S148 PolarHBondContact O-N 3.39Å; S148-E152 PolarHBondContact O-N 3.16Å
149L97Very high94.5Very high0 Ų054 Ų540%030%0.3CS..Hα-helixtrans-66.4-40.4174.6-63.5171.9000111.3R109 R112 L113 A116 F142 E145 W146 S147 E152 L153R109-L149 HydrophobicContact CG-CD2 4.21Å; R112-L149 HydrophobicContact CB-CD1 4.07Å; R112-L149 HydrophobicContact CB-CD2 4.36Å; L113-L149 HydrophobicContact CB-CD2 4.4Å; L113-L149 HydrophobicContact CD1-CB 4.35Å; L113-L149 HydrophobicContact CD1-CD2 3.9Å; A116-L149 HydrophobicContact CB-CB 4.21Å; A116-L149 HydrophobicContact CB-CD1 4.29Å; F142-L149 HydrophobicContact CD2-CD1 3.84Å; F142-L149 HydrophobicContact CE2-CD1 3.69Å; E145-L149 HydrophobicContact CB-CD1 4.17Å; E145-L149 HydrophobicContact CB-CG 4.2Å; E145-L149 WeakPolarHBondContact O-CG 3.5Å; E145-L149 PolarHBondContact O-N 3.45Å; W146-L149 WeakPolarHBondContact O-CB 3.49Å; W146-L149 PolarHBondContact O-N 2.92Å; W146-L149 VanDerWaalsContact O-N 3.14Å; S147-L149 PolarHBondContact O-N 2.77Å; L149-E152 PolarHBondContact O-N 2.86Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.28Å
150L96.3Very high94.5Very high8 Ų856.8 Ų56.84%0.04232%0.319CS..Hα-helixtrans-65.4-42.6177.5-67.3-177.5000112.4V120 W146 S147 E152 L153 V154 I159 A164 F167V120-L150 HydrophobicContact CG2-CD2 3.69Å; W146-L150 HydrophobicContact CZ2-CD2 4.2Å; W146-L150 WeakPolarHBondContact O-CG 3.35Å; W146-L150 PolarHBondContact O-N 3.35Å; S147-L150 PolarHBondContact O-N 2.93Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 2.97Å; L150-L153 HydrophobicContact CD2-CD1 4.47Å; L150-L153 PolarHBondContact O-N 2.71Å; L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.24Å; L150-I159 HydrophobicContact CD2-CD1 3.75Å; L150-A164 HydrophobicContact CB-CB 4.47Å; L150-F167 WeakPolarHBondContact CD1-O 3.26Å
151E95.7Very high94.6Very high131 Ų13158 Ų5861%0.61234%0.335SS*.Hα-helixtrans-57.8-43.7175.4-73.7170.7-172.100111.8S147 V154 T155S147-E151 WeakPolarHBondContact O-CG 3.38Å; S147-E151 PolarHBondContact O-N 2.87Å; E151-V154 PolarHBondContact O-N 3.04Å; E151-T155 WeakPolarHBondContact O-CB 3.13Å; E151-T155 PolarHBondContact O-N 3Å; E151-T155 PolarHBondContact O-OG1 3.44Å
152E96.4Very high94.7Very high75 Ų7561.8 Ų61.835%0.3535%0.351SS..Hα-helixtrans-67-39.4177.3-171.6178.1154.600111.9R109 L113 S148 L149 L150 T155 S156R109-E152 IonicContact CZ-OE2 3.72Å; R109-E152 IonicContact NE-OE2 2.71Å; R109-E152 PolarHBondContact NE-OE2 3.42Å; R109-E152 IonicContact NH2-OE2 3.48Å; R109-E152 PolarHBondContact NH2-OE2 3.49Å; L113-E152 HydrophobicContact CD1-CB 3.8Å; L113-E152 VanDerWaalsContact CD1-CD 3.49Å; L113-E152 HydrophobicContact CD1-CG 3.75Å; S148-E152 PolarHBondContact O-N 3.16Å; L149-E152 PolarHBondContact O-N 2.86Å; L150-E152 VanDerWaalsContact C-N 3.3Å; L150-E152 PolarHBondContact O-N 2.97Å; E152-T155 PolarHBondContact O-N 3.02Å; E152-S156 WeakPolarHBondContact O-CB 3.27Å; E152-S156 PolarHBondContact O-N 2.97Å; E152-S156 PolarHBondContact O-OG 3.01Å
153L96.3Very high94.5Very high0 Ų063.5 Ų63.50%036%0.362CS..Hα-helixtrans-66.6-36175.5-74.5169.6000113.1L113 A116 E117 L149 L150 S156 N157 K158 I159L113-L153 HydrophobicContact CD1-CD2 4.3Å; L113-L153 HydrophobicContact CD1-CG 3.98Å; L113-L153 HydrophobicContact CD2-CD2 3.98Å; L113-L153 HydrophobicContact CG-CD2 3.74Å; L113-L153 HydrophobicContact CG-CG 3.94Å; A116-L153 HydrophobicContact CB-CD1 3.88Å; E117-L153 HydrophobicContact CB-CD1 4.18Å; E117-L153 HydrophobicContact CB-CD2 3.88Å; E117-L153 HydrophobicContact CG-CD2 4.26Å; L149-L153 WeakPolarHBondContact O-CB 3.41Å; L149-L153 VanDerWaalsContact O-CG 3.28Å; L149-L153 WeakPolarHBondContact O-CG 3.24Å; L149-L153 PolarHBondContact O-N 3.28Å; L150-L153 HydrophobicContact CD2-CD1 4.47Å; L150-L153 PolarHBondContact O-N 2.71Å; L153-S156 WeakPolarHBondContact CA-OG 3.21Å; L153-S156 PolarHBondContact O-OG 2.82Å; L153-N157 PolarHBondContact O-N 3.22Å; L153-K158 HydrophobicContact CB-CB 4.41Å; L153-K158 HydrophobicContact CD2-CB 3.64Å; L153-K158 HydrophobicContact CD2-CG 4.07Å; L153-K158 PolarHBondContact O-N 2.83Å; L153-I159 HydrophobicContact CB-CD1 3.63Å; L153-I159 HydrophobicContact CB-CG1 3.73Å; L153-I159 HydrophobicContact CB-CG2 4.45Å; L153-I159 HydrophobicContact CD1-CD1 4.19Å; L153-I159 PolarHBondContact O-N 3.09Å
154V96Very high94.4Very high42 Ų4261 Ų6126%0.25536%0.356SS..Hα-helixtrans-68-46.7173.5172.20000110.1L150 E151 S156 N157 I159 A161 A164L150-V154 WeakPolarHBondContact O-CG2 3.37Å; L150-V154 PolarHBondContact O-N 3.24Å; E151-V154 PolarHBondContact O-N 3.04Å; V154-S156 PolarHBondContact O-N 2.88Å; V154-N157 PolarHBondContact O-N 2.93Å; V154-I159 HydrophobicContact CG2-CD1 4.18Å; V154-I159 HydrophobicContact CG2-CG1 3.84Å; V154-A161 HydrophobicContact CG1-CB 4.16Å; V154-A164 HydrophobicContact CG2-CB 3.41Å; V154-A164 VanDerWaalsContact CG2-CB 3.41Å
155T95Very high94.5Very high118 Ų11865.4 Ų65.472%0.72436%0.361SS*.Hα-helixtrans-62.4-34.6-179.1-54.90000111.9E151 E152 N157E151-T155 WeakPolarHBondContact O-CB 3.13Å; E151-T155 PolarHBondContact O-N 3Å; E151-T155 PolarHBondContact O-OG1 3.44Å; E152-T155 PolarHBondContact O-N 3.02Å; T155-N157 VanDerWaalsContact C-N 3.31Å; T155-N157 PolarHBondContact O-N 3.47Å
156S93.8Very high94.2Very high57 Ų5769.7 Ų69.740%0.39938%0.381SS..THydrogen-bonded Turntrans-86.27.6176.9590000114.5E152 L153 V154 K158E152-S156 WeakPolarHBondContact O-CB 3.27Å; E152-S156 PolarHBondContact O-N 2.97Å; E152-S156 PolarHBondContact O-OG 3.01Å; L153-S156 WeakPolarHBondContact CA-OG 3.21Å; L153-S156 PolarHBondContact O-OG 2.82Å; V154-S156 PolarHBondContact O-N 2.88Å; S156-K158 PolarHBondContact O-N 2.97Å; S156-K158 WeakPolarHBondContact OG-CG 3.14Å
157N93.1Very high94.1Very high150 Ų15070.3 Ų70.380%0.80238%0.384SS*.THydrogen-bonded Turntrans5529.9-178.4-68-51000114.2L153 V154 T155L153-N157 PolarHBondContact O-N 3.22Å; V154-N157 PolarHBondContact O-N 2.93Å; T155-N157 VanDerWaalsContact C-N 3.31Å; T155-N157 PolarHBondContact O-N 3.47Å
158K93.5Very high93.9Very high118 Ų11871.6 Ų71.651%0.51338%0.381SS..SBendtrans-84.2-30.7175.7-67.7-67.8-175.3174.50112.5E117 L153 S156E117-K158 HydrophobicContact CG-CB 4.42Å; L153-K158 HydrophobicContact CB-CB 4.41Å; L153-K158 HydrophobicContact CD2-CB 3.64Å; L153-K158 HydrophobicContact CD2-CG 4.07Å; L153-K158 PolarHBondContact O-N 2.83Å; S156-K158 PolarHBondContact O-N 2.97Å; S156-K158 WeakPolarHBondContact OG-CG 3.14Å
159I94.1Very high93.5Very high16 Ų1674.1 Ų74.18%0.08238%0.384CS..SBendtrans-134157.6173.969.5-177.6000109.9E117 V120 L150 L153 V154 A164E117-I159 HydrophobicContact CG-CG2 4.37Å; V120-I159 HydrophobicContact CB-CG2 4.43Å; V120-I159 HydrophobicContact CG1-CB 4.36Å; V120-I159 HydrophobicContact CG1-CD1 4.38Å; V120-I159 HydrophobicContact CG1-CG2 3.95Å; L150-I159 HydrophobicContact CD2-CD1 3.75Å; L153-I159 HydrophobicContact CB-CD1 3.63Å; L153-I159 HydrophobicContact CB-CG1 3.73Å; L153-I159 HydrophobicContact CB-CG2 4.45Å; L153-I159 HydrophobicContact CD1-CD1 4.19Å; L153-I159 PolarHBondContact O-N 3.09Å; V154-I159 HydrophobicContact CG2-CD1 4.18Å; V154-I159 HydrophobicContact CG2-CG1 3.84Å; I159-A164 HydrophobicContact CD1-CB 3.95Å; I159-A164 HydrophobicContact CG1-CB 4.49Å
160S93.8Very high93.3Very high57 Ų5774.4 Ų74.440%0.39939%0.385SS..  trans-77.1152.9174.780.40000111.4E162 S163 A164S160-E162 PolarHBondContact O-N 3.19Å; S160-E162 PolarHBondContact OG-N 2.73Å; S160-S163 PolarHBondContact O-N 3.33Å; S160-S163 WeakPolarHBondContact OG-CB 3.5Å; S160-S163 PolarHBondContact OG-N 2.85Å; S160-S163 PolarHBondContact OG-OG 3.03Å; S160-A164 PolarHBondContact O-N 2.91Å
161A92.4Very high93.3Very high64 Ų6474.3 Ų74.353%0.52939%0.385SS..Hα-helixtrans-61.4-28.4173.700000112.7V154 K165V154-A161 HydrophobicContact CG1-CB 4.16Å; A161-K165 PolarHBondContact O-N 3.33Å; A161-K165 VanDerWaalsContact O-N 3.11Å
162E93.5Very high93.3Very high155 Ų15568.3 Ų68.372%0.72436%0.356SS*.Hα-helixtrans-70.4-46.2175.4-172.3170.1-164.700111.3S160 A164 K165 Q166S160-E162 PolarHBondContact O-N 3.19Å; S160-E162 PolarHBondContact OG-N 2.73Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 2.73Å; E162-K165 PolarHBondContact O-N 3.32Å; E162-K165 VanDerWaalsContact O-N 3.16Å; E162-Q166 WeakPolarHBondContact O-CB 3.44Å; E162-Q166 PolarHBondContact O-N 3.27Å
163S91.6Very high93.3Very high35 Ų3564.8 Ų64.825%0.24534%0.34CS..Hα-helixtrans-60.3-42.1173.7-54.20000111.4S160 K165 Q166 F167S160-S163 PolarHBondContact O-N 3.33Å; S160-S163 WeakPolarHBondContact OG-CB 3.5Å; S160-S163 PolarHBondContact OG-N 2.85Å; S160-S163 PolarHBondContact OG-OG 3.03Å; S163-K165 VanDerWaalsContact C-N 3.31Å; S163-K165 PolarHBondContact O-N 3.4Å; S163-Q166 PolarHBondContact O-N 2.97Å; S163-F167 WeakPolarHBondContact O-CD2 3.49Å; S163-F167 PolarHBondContact O-N 3.38Å
164A92Very high93.3Very high15 Ų1564.8 Ų64.812%0.12434%0.34CS..Hα-helixtrans-62.7-35.8176.700000112.7L150 V154 I159 S160 E162 H168L150-A164 HydrophobicContact CB-CB 4.47Å; V154-A164 HydrophobicContact CG2-CB 3.41Å; V154-A164 VanDerWaalsContact CG2-CB 3.41Å; I159-A164 HydrophobicContact CD1-CB 3.95Å; I159-A164 HydrophobicContact CG1-CB 4.49Å; S160-A164 PolarHBondContact O-N 2.91Å; E162-A164 VanDerWaalsContact C-N 3.32Å; E162-A164 PolarHBondContact O-N 2.73Å; A164-H168 WeakPolarHBondContact O-CA 3.44Å; A164-H168 WeakPolarHBondContact O-CB 3.35Å; A164-H168 PolarHBondContact O-N 3.38Å; A164-H168 VanDerWaalsContact O-N 3.11Å
165K92.1Very high93.3Very high171 Ų17162.8 Ų62.874%0.74333%0.328SS*.Hα-helixtrans-69.9-43.7172.3-86-175.2176.4179.80112.4A161 E162 S163 F167 H168A161-K165 PolarHBondContact O-N 3.33Å; A161-K165 VanDerWaalsContact O-N 3.11Å; E162-K165 PolarHBondContact O-N 3.32Å; E162-K165 VanDerWaalsContact O-N 3.16Å; S163-K165 VanDerWaalsContact C-N 3.31Å; S163-K165 PolarHBondContact O-N 3.4Å; K165-F167 VanDerWaalsContact C-N 3.33Å; K165-F167 PolarHBondContact O-N 2.9Å; K165-H168 WeakPolarHBondContact O-CB 3.33Å; K165-H168 PolarHBondContact O-ND1 3.31Å
166Q90.2Very high93.4Very high128 Ų12857.3 Ų57.360%0.59830%0.295SS*.Hα-helixtrans-62.3-43.8-179.6-173.1177.32.200111.1E162 S163E162-Q166 WeakPolarHBondContact O-CB 3.44Å; E162-Q166 PolarHBondContact O-N 3.27Å; S163-Q166 PolarHBondContact O-N 2.97Å
167F91.8Very high93.5Very high17 Ų1754.7 Ų54.78%0.07528%0.276CS..THydrogen-bonded Turntrans-105.632.5-177-49.9-63.4000112.5V120 Q123 T125 W146 L150 S163 K165 R169V120-F167 HydrophobicContact CG1-CD2 3.9Å; V120-F167 HydrophobicContact CG2-CB 4.27Å; Q123-F167 HydrophobicContact CB-CE1 3.75Å; Q123-F167 HydrophobicContact CB-CZ 3.65Å; Q123-F167 HydrophobicContact CG-CE1 4.28Å; Q123-F167 HydrophobicContact CG-CE2 4.34Å; Q123-F167 HydrophobicContact CG-CZ 3.64Å; T125-F167 HydrophobicContact CG2-CB 4.05Å; T125-F167 HydrophobicContact CG2-CD1 3.57Å; T125-F167 HydrophobicContact CG2-CG 4.27Å; W146-F167 PolarHBondContact NE1-O 3.22Å; W146-F167 VanDerWaalsContact NE1-O 3.08Å; L150-F167 WeakPolarHBondContact CD1-O 3.26Å; S163-F167 WeakPolarHBondContact O-CD2 3.49Å; S163-F167 PolarHBondContact O-N 3.38Å; K165-F167 VanDerWaalsContact C-N 3.33Å; K165-F167 PolarHBondContact O-N 2.9Å; F167-R169 PolarHBondContact O-N 3.11Å
168H90.3Very high93.6Very high98 Ų9847.8 Ų47.845%0.45424%0.24SC..  trans-63.2-8.4-175.370.5-76.5000114.2A164 K165A164-H168 WeakPolarHBondContact O-CA 3.44Å; A164-H168 WeakPolarHBondContact O-CB 3.35Å; A164-H168 PolarHBondContact O-N 3.38Å; A164-H168 VanDerWaalsContact O-N 3.11Å; K165-H168 WeakPolarHBondContact O-CB 3.33Å; K165-H168 PolarHBondContact O-ND1 3.31Å
169R88.2Confident93.8Very high102 Ų10242.1 Ų42.139%0.38522%0.215SC..  trans-128.4142.8-178.7-84.2176.1173.8-179.4-1.3112.8F167F167-R169 PolarHBondContact O-N 3.11Å
170L93.8Very high93.9Very high5 Ų541.5 Ų41.53%0.02621%0.212CC..  trans-119.2115.4169.6-176.468.5000108.9L119 T125 L127 F142 R143 W146 I172L119-L170 HydrophobicContact CD1-CD1 4.12Å; T125-L170 WeakPolarHBondContact O-CA 3.5Å; L127-L170 HydrophobicContact CB-CD1 4.31Å; F142-L170 HydrophobicContact CD1-CD2 3.54Å; F142-L170 HydrophobicContact CE1-CD2 3.6Å; F142-L170 HydrophobicContact CG-CD2 4.43Å; R143-L170 WeakPolarHBondContact CG-O 3.33Å; R143-L170 PolarHBondContact NE-O 2.95Å; W146-L170 HydrophobicContact CB-CB 4.4Å; W146-L170 HydrophobicContact CD2-CB 3.57Å; W146-L170 HydrophobicContact CD2-CD2 4.08Å; W146-L170 HydrophobicContact CD2-CG 4.38Å; W146-L170 HydrophobicContact CE3-CB 4Å; W146-L170 HydrophobicContact CE3-CD2 3.6Å; W146-L170 HydrophobicContact CE3-CG 4.32Å; W146-L170 HydrophobicContact CG-CB 3.74Å; W146-L170 HydrophobicContact CH2-CD1 4.43Å; W146-L170 HydrophobicContact CZ2-CB 4.29Å; W146-L170 HydrophobicContact CZ3-CD2 3.85Å; L170-I172 HydrophobicContact CD2-CD1 3.79Å; L170-I172 HydrophobicContact CD2-CG1 4.05Å; L170-I172 HydrophobicContact CG-CD1 4.25Å; L170-I172 HydrophobicContact CG-CG1 3.93Å
171N94.8Very high93.9Very high7 Ų739.5 Ų39.54%0.03720%0.197CC..EExtended strand (participates in β ladder)trans-89.7131.9170.9-57.9-39.8000108.4T125 N126 L127 L338 A341 D342T125-N171 PolarHBondContact O-N 3.05Å; N126-N171 WeakPolarHBondContact OD1-CB 3.4Å; N126-N171 PolarHBondContact OD1-ND2 2.86Å; L127-N171 PolarHBondContact N-O 3.41Å; N171-L338 HydrophobicContact CB-CD2 3.74Å; N171-L338 WeakPolarHBondContact O-CD2 3.28Å; N171-A341 HydrophobicContact CB-CB 4.31Å; N171-D342 WeakPolarHBondContact ND2-CA 3.41Å; N171-D342 PolarHBondContact ND2-OD1 2.91Å; N171-D342 VanDerWaalsContact ND2-OD1 3.1Å
172I95.7Very high93.9Very high4 Ų437 Ų372%0.02117%0.174CC..EExtended strand (participates in β ladder)trans-128.6132.1178.9-59.9-168.4000109.5L127 V129 A139 R143 L170 S349L127-I172 HydrophobicContact CB-CG1 4.33Å; L127-I172 HydrophobicContact CD2-CD1 4.39Å; L127-I172 WeakPolarHBondContact O-CA 3.28Å; V129-I172 HydrophobicContact CG2-CG2 4.27Å; A139-I172 HydrophobicContact CB-CD1 4.19Å; A139-I172 HydrophobicContact CB-CG2 3.93Å; A139-I172 WeakPolarHBondContact O-CD1 3.41Å; R143-I172 HydrophobicContact CB-CD1 3.78Å; R143-I172 HydrophobicContact CB-CG1 4.21Å; L170-I172 HydrophobicContact CD2-CD1 3.79Å; L170-I172 HydrophobicContact CD2-CG1 4.05Å; L170-I172 HydrophobicContact CG-CD1 4.25Å; L170-I172 HydrophobicContact CG-CG1 3.93Å; I172-S349 WeakPolarHBondContact O-CB 3.42Å
173V96.5Very high93.7Very high2 Ų229.8 Ų29.81%0.01214%0.141CC..EExtended strand (participates in β ladder)trans-120.6130.8165.9176.30000109.6L127 V128 V129 A334 A337 L338 C350 I352L127-V173 PolarHBondContact O-N 3.28Å; V128-V173 WeakPolarHBondContact CA-O 3.46Å; V129-V173 PolarHBondContact N-O 2.87Å; V173-A334 HydrophobicContact CB-CB 4.38Å; V173-A334 HydrophobicContact CG1-CB 3.7Å; V173-A337 HydrophobicContact CG1-CB 4.49Å; V173-A337 HydrophobicContact CG2-CB 3.76Å; V173-L338 HydrophobicContact CB-CD2 4.24Å; V173-L338 HydrophobicContact CB-CG 4.13Å; V173-L338 HydrophobicContact CG2-CD2 3.71Å; V173-L338 HydrophobicContact CG2-CG 3.65Å; V173-C350 WeakPolarHBondContact CA-O 3.25Å; V173-I352 HydrophobicContact CG1-CD1 3.83Å; V173-I352 HydrophobicContact CG1-CG1 3.66Å
174G96.5Very high93.6Very high0 Ų028.3 Ų28.30%013%0.13CC..EExtended strand (participates in β ladder)trans-93.9139.1176.900000112.5V129 L136 C350 V351 I352V129-G174 CarbonylContact O-C 3.57Å; V129-G174 WeakPolarHBondContact O-CA 3.33Å; L136-G174 VanDerWaalsContact CD2-CA 3.48Å; G174-C350 PolarHBondContact N-O 2.88Å; G174-V351 VanDerWaalsContact O-CA 3.26Å; G174-V351 WeakPolarHBondContact O-CA 3.3Å; G174-I352 PolarHBondContact O-N 2.53Å
175L97.4Very high93.3Very high0 Ų029.2 Ų29.20%014%0.141CC..EExtended strand (participates in β ladder)trans-119.7131.4164.3-59-173.8000108.9A47 V128 V129 I130 G131 G177 I190 M330 A334 I352A47-L175 HydrophobicContact CB-CD1 3.94Å; V128-L175 HydrophobicContact CG1-CD1 4.06Å; V128-L175 HydrophobicContact CG1-CG 4.1Å; V129-L175 PolarHBondContact O-N 3.27Å; I130-L175 WeakPolarHBondContact CA-O 3.28Å; I130-L175 HydrophobicContact CB-CB 4.4Å; I130-L175 HydrophobicContact CD1-CD1 4.18Å; I130-L175 HydrophobicContact CG1-CB 4.1Å; I130-L175 HydrophobicContact CG1-CD1 4.05Å; I130-L175 HydrophobicContact CG1-CG 4.39Å; I130-L175 HydrophobicContact CG2-CB 4.23Å; G131-L175 PolarHBondContact N-O 3.09Å; L175-G177 PolarHBondContact O-N 3.03Å; L175-I190 HydrophobicContact CB-CD1 4.5Å; L175-M330 HydrophobicContact CD1-CB 4.43Å; L175-M330 HydrophobicContact CD2-CB 3.88Å; L175-A334 HydrophobicContact CD1-CB 4.31Å; L175-A334 HydrophobicContact CD2-CB 3.98Å; L175-A334 HydrophobicContact CG-CB 4.33Å; L175-I352 HydrophobicContact CD2-CB 3.55Å; L175-I352 HydrophobicContact CD2-CG1 3.63Å
176V96.2Very high93.2Very high3 Ų321.7 Ų21.72%0.01811%0.109CC..EExtended strand (participates in β ladder)trans-86.899.5-177.3-162.70000110.4G131 L136 F183 T186 T189 I190 V351G131-V176 CarbonylContact O-C 3.51Å; G131-V176 WeakPolarHBondContact O-CA 3.44Å; L136-V176 HydrophobicContact CD1-CG2 3.81Å; V176-F183 HydrophobicContact CG1-CB 3.61Å; V176-F183 HydrophobicContact CG1-CD1 4.37Å; V176-F183 HydrophobicContact CG1-CG 3.93Å; V176-F183 HydrophobicContact CG2-CB 4.22Å; V176-F183 HydrophobicContact CG2-CD1 3.4Å; V176-F183 VanDerWaalsContact CG2-CD1 3.4Å; V176-F183 HydrophobicContact CG2-CE1 3.8Å; V176-F183 HydrophobicContact CG2-CG 3.81Å; V176-T186 HydrophobicContact CG2-CG2 4.44Å; V176-T189 HydrophobicContact CB-CG2 3.85Å; V176-T189 HydrophobicContact CG1-CG2 3.35Å; V176-I190 PolarHBondContact O-N 2.96Å; V176-V351 HydrophobicContact CG2-CG1 3.64Å
177G96.2Very high93.2Very high1 Ų117.8 Ų17.81%0.019%0.093CC..EExtended strand (participates in β ladder)trans-99.698.8171.100000110.2M44 G131 G132 L175M44-G177 VanDerWaalsContact CE-O 3.23Å; M44-G177 WeakPolarHBondContact CE-O 3.44Å; G131-G177 CarbonylContact C-O 3.58Å; G131-G177 VanDerWaalsContact C-O 3.29Å; G131-G177 PolarHBondContact O-N 3.3Å; G132-G177 PolarHBondContact N-O 3.28Å; L175-G177 PolarHBondContact O-N 3.03Å
178S95.7Very high93.3Very high5 Ų518.2 Ų18.24%0.03510%0.095CC..EExtended strand (participates in β ladder)trans-156.6142.9-178.7-175.30000109.8D180 T189 I190 A192S178-D180 VanDerWaalsContact C-N 3.35Å; S178-D180 PolarHBondContact OG-N 3.35Å; S178-D180 PolarHBondContact OG-OD2 2.87Å; S178-T189 WeakPolarHBondContact O-CB 3.22Å; S178-T189 PolarHBondContact O-OG1 3.27Å; S178-I190 CarbonylContact C-O 3.55Å; S178-I190 PolarHBondContact N-O 2.88Å; S178-I190 VanDerWaalsContact O-O 3.09Å; S178-A192 PolarHBondContact O-N 3.19Å
179I97Very high93.5Very high0 Ų013.6 Ų13.60%07%0.074CC..SBendtrans-80.4-21.7170.865.7161000112.1A41 N181 A195 M222 L229 Q314 R315A41-I179 HydrophobicContact CB-CG2 4.02Å; I179-N181 VanDerWaalsContact C-N 3.26Å; I179-N181 PolarHBondContact O-N 3.49Å; I179-A195 HydrophobicContact CB-CB 3.71Å; I179-A195 HydrophobicContact CD1-CB 4.44Å; I179-A195 HydrophobicContact CG2-CB 3.91Å; I179-M222 HydrophobicContact CD1-CB 3.98Å; I179-M222 HydrophobicContact CD1-SD 4.11Å; I179-L229 HydrophobicContact CB-CD1 4.48Å; I179-L229 HydrophobicContact CD1-CD1 4.31Å; I179-L229 HydrophobicContact CG1-CD1 4.45Å; I179-L229 WeakPolarHBondContact O-CD1 3.34Å; I179-L229 WeakPolarHBondContact O-CD2 3.33Å; I179-L229 WeakPolarHBondContact O-CG 3.16Å; I179-Q314 HydrophobicContact CD1-CB 4.31Å; I179-R315 HydrophobicContact CD1-CG 3.63Å; I179-R315 HydrophobicContact CG1-CG 4.35Å; I179-R315 HydrophobicContact CG2-CG 4.4Å
180D95.3Very high94Very high2 Ų28.8 Ų8.81%0.0116%0.055CC..SBendtrans-75.6-17.9-166.3-55.9-40.3000112.4S178 D182 G223 C226 R315S178-D180 VanDerWaalsContact C-N 3.35Å; S178-D180 PolarHBondContact OG-N 3.35Å; S178-D180 PolarHBondContact OG-OD2 2.87Å; D180-D182 HydrophobicContact CB-CB 4.13Å; D180-D182 PolarHBondContact O-N 2.87Å; D180-G223 VanDerWaalsContact OD1-CA 3.22Å; D180-G223 WeakPolarHBondContact OD1-CA 3.41Å; D180-G223 PolarHBondContact OD1-N 2.93Å; D180-C226 PolarHBondContact O-SG 3.28Å; D180-R315 IonicContact OD1-NH2 3.16Å; D180-R315 IonicContact OD2-NH2 3.81Å
181N94.9Very high94.1Very high15 Ų158.5 Ų8.58%0.085%0.054CC..  trans47.243.4-172-157.235.3000112.8I179 D187 M188 T189 A192 Y228I179-N181 VanDerWaalsContact C-N 3.26Å; I179-N181 PolarHBondContact O-N 3.49Å; N181-D187 PolarHBondContact ND2-O 2.99Å; N181-D187 VanDerWaalsContact ND2-O 3.13Å; N181-M188 VanDerWaalsContact OD1-CA 3.32Å; N181-M188 WeakPolarHBondContact OD1-CA 3.39Å; N181-T189 WeakPolarHBondContact CA-OG1 3.21Å; N181-T189 PolarHBondContact N-OG1 3.14Å; N181-T189 WeakPolarHBondContact OD1-CG2 3.46Å; N181-T189 PolarHBondContact OD1-N 3.28Å; N181-T189 PolarHBondContact OD1-OG1 3.43Å; N181-A192 HydrophobicContact CB-CB 3.93Å; N181-Y228 HydrophobicContact CB-CD1 3.52Å; N181-Y228 HydrophobicContact CB-CD2 4.42Å; N181-Y228 HydrophobicContact CB-CE1 3.98Å; N181-Y228 HydrophobicContact CB-CG 3.79Å; N181-Y228 WeakPolarHBondContact ND2-CD2 3.15Å; N181-Y228 WeakPolarHBondContact ND2-CE1 3.47Å; N181-Y228 WeakPolarHBondContact ND2-CE2 3.48Å
182D92Very high94.3Very high11 Ų118.2 Ų8.26%0.0595%0.052CC..  trans-101.9-4.3-171.268.2-23.1000114D180 R224 C226 R390D180-D182 HydrophobicContact CB-CB 4.13Å; D180-D182 PolarHBondContact O-N 2.87Å; D182-R224 IonicContact OD2-NH1 3.75Å; D182-R224 PolarHBondContact OD2-NH1 3.25Å; D182-R224 VanDerWaalsContact OD2-NH1 3.16Å; D182-C226 HydrophobicContact CB-CB 3.63Å; D182-R390 PolarHBondContact O-NH1 2.98Å
183F90Very high94.4Very high5 Ų58.3 Ų8.32%0.0225%0.053CC..  trans-85.4119.7-178.8-165.9-97.5000111.5D133 L136 V176 T189 V351 C367 V368D133-F183 HydrophobicContact CB-CD2 4.1Å; L136-F183 HydrophobicContact CB-CE2 4.24Å; L136-F183 HydrophobicContact CB-CZ 4.5Å; L136-F183 HydrophobicContact CD1-CD2 4.28Å; L136-F183 HydrophobicContact CD1-CE1 4.18Å; L136-F183 HydrophobicContact CD1-CE2 3.72Å; L136-F183 HydrophobicContact CD1-CZ 3.65Å; V176-F183 HydrophobicContact CG1-CB 3.61Å; V176-F183 HydrophobicContact CG1-CD1 4.37Å; V176-F183 HydrophobicContact CG1-CG 3.93Å; V176-F183 HydrophobicContact CG2-CB 4.22Å; V176-F183 HydrophobicContact CG2-CD1 3.4Å; V176-F183 VanDerWaalsContact CG2-CD1 3.4Å; V176-F183 HydrophobicContact CG2-CE1 3.8Å; V176-F183 HydrophobicContact CG2-CG 3.81Å; F183-T189 HydrophobicContact CB-CG2 4.3Å; F183-V351 HydrophobicContact CE1-CB 4.42Å; F183-V351 HydrophobicContact CE1-CG1 4.01Å; F183-V351 HydrophobicContact CE1-CG2 4.08Å; F183-V351 HydrophobicContact CZ-CG2 4.08Å; F183-C367 HydrophobicContact CD1-CB 4.36Å; F183-C367 HydrophobicContact CE1-CB 3.38Å; F183-C367 HydrophobicContact CZ-CB 3.49Å; F183-C367 VanDerWaalsContact CZ-CB 3.49Å; F183-V368 HydrophobicContact CE2-CG2 4.35Å; F183-V368 HydrophobicContact CZ-CG2 4.44Å
184C88.6Confident94.5Very high4 Ų48.3 Ų8.33%0.0275%0.053CC..THydrogen-bonded Turntrans-72.3137.4-178.6-63.30000111.2C367 R370 T371C184-C367 VanDerWaalsContact O-CB 3.27Å; C184-C367 WeakPolarHBondContact O-CB 3.3Å; C184-R370 HydrophobicContact CB-CB 3.9Å; C184-R370 HydrophobicContact CB-CG 3.72Å; C184-T371 WeakPolarHBondContact CB-OG1 3.48Å; C184-T371 PolarHBondContact N-OG1 2.91Å
185G85.5Confident94.6Very high33 Ų338.3 Ų8.334%0.345%0.053SC..THydrogen-bonded Turntrans102.36.9178.900000115S353G185-S353 WeakPolarHBondContact O-CB 3.22Å; G185-S353 PolarHBondContact O-OG 2.98Å
186T90.3Very high94.6Very high14 Ų148.5 Ų8.59%0.0865%0.054CC..  trans-134.5142.2165.7-1690000109.3V176 M188 T189 L354V176-T186 HydrophobicContact CG2-CG2 4.44Å; T186-M188 VanDerWaalsContact C-N 3.32Å; T186-M188 PolarHBondContact OG1-O 3.25Å; T186-T189 HydrophobicContact CG2-CG2 3.71Å; T186-L354 PolarHBondContact OG1-N 2.91Å
187D89.8Confident94.7Very high46 Ų4610 Ų1025%0.2466%0.061CC..SBendtrans-73.8-28.1175.7-79.3-31.7000112.4N181 L354 G356N181-D187 PolarHBondContact ND2-O 2.99Å; N181-D187 VanDerWaalsContact ND2-O 3.13Å; D187-L354 PolarHBondContact N-O 3.43Å; D187-G356 PolarHBondContact OD2-N 3.24Å
188M93.5Very high94.8Very high26 Ų2613.4 Ų13.413%0.1287%0.074CC..  trans-145.4134.1179.3-163.767.878.500111N181 T186 A192 Y228 F322 L354N181-M188 VanDerWaalsContact OD1-CA 3.32Å; N181-M188 WeakPolarHBondContact OD1-CA 3.39Å; T186-M188 VanDerWaalsContact C-N 3.32Å; T186-M188 PolarHBondContact OG1-O 3.25Å; M188-A192 HydrophobicContact CG-CB 4.46Å; M188-A192 HydrophobicContact SD-CB 3.63Å; M188-Y228 WeakPolarHBondContact CE-OH 3.45Å; M188-Y228 HydrophobicContact SD-CE1 4.17Å; M188-F322 HydrophobicContact CB-CE1 4.31Å; M188-F322 HydrophobicContact CB-CZ 4.35Å; M188-F322 HydrophobicContact CG-CE1 3.68Å; M188-F322 HydrophobicContact CG-CZ 4.16Å; M188-L354 HydrophobicContact CB-CD2 4.14Å
189T95.7Very high94.9Very high1 Ų113.2 Ų13.21%0.0067%0.072CC..  trans-93.2151170.755.80000111.2V176 S178 N181 F183 T186 G191 A192V176-T189 HydrophobicContact CB-CG2 3.85Å; V176-T189 HydrophobicContact CG1-CG2 3.35Å; S178-T189 WeakPolarHBondContact O-CB 3.22Å; S178-T189 PolarHBondContact O-OG1 3.27Å; N181-T189 WeakPolarHBondContact CA-OG1 3.21Å; N181-T189 PolarHBondContact N-OG1 3.14Å; N181-T189 WeakPolarHBondContact OD1-CG2 3.46Å; N181-T189 PolarHBondContact OD1-N 3.28Å; N181-T189 PolarHBondContact OD1-OG1 3.43Å; F183-T189 HydrophobicContact CB-CG2 4.3Å; T186-T189 HydrophobicContact CG2-CG2 3.71Å; T189-G191 PolarHBondContact O-N 2.94Å; T189-G191 VanDerWaalsContact O-N 3.13Å; T189-A192 PolarHBondContact O-N 2.78Å
190I97.8Very high94.9Very high0 Ų013.4 Ų13.40%07%0.073CC..EExtended strand (participates in β ladder)trans-63.4117.1176.8-59.1166.6000108.7A41 G43 A47 L175 V176 S178 L326 M330A41-I190 WeakPolarHBondContact CB-O 3.4Å; G43-I190 VanDerWaalsContact C-CG2 3.45Å; A47-I190 HydrophobicContact CB-CD1 4.08Å; L175-I190 HydrophobicContact CB-CD1 4.5Å; V176-I190 PolarHBondContact O-N 2.96Å; S178-I190 CarbonylContact C-O 3.55Å; S178-I190 PolarHBondContact N-O 2.88Å; S178-I190 VanDerWaalsContact O-O 3.09Å; I190-L326 HydrophobicContact CG1-CD2 4.01Å; I190-L326 HydrophobicContact CG1-CG 4.18Å; I190-M330 HydrophobicContact CD1-SD 3.83Å; I190-M330 HydrophobicContact CG1-SD 3.83Å
191G97.4Very high95Very high0 Ų018.3 Ų18.30%010%0.096CC..EExtended strand (participates in β ladder)trans105.7-12.4177.800000115Q42 T189 S194 A195 D323Q42-G191 WeakPolarHBondContact O-CA 3.26Å; Q42-G191 PolarHBondContact O-N 3.03Å; T189-G191 PolarHBondContact O-N 2.94Å; T189-G191 VanDerWaalsContact O-N 3.13Å; G191-S194 PolarHBondContact O-N 3.38Å; G191-A195 WeakPolarHBondContact O-CB 3.29Å; G191-A195 PolarHBondContact O-N 3.29Å; G191-D323 WeakPolarHBondContact CA-OD2 3.21Å; G191-D323 PolarHBondContact N-OD1 2.71Å; G191-D323 PolarHBondContact N-OD2 3.48Å
192A97.5Very high95.1Very high0 Ų018.7 Ų18.70%010%0.101CC..Hα-helixtrans-64.9-41.2178.300000111.8S178 N181 M188 T189 A195 L196S178-A192 PolarHBondContact O-N 3.19Å; N181-A192 HydrophobicContact CB-CB 3.93Å; M188-A192 HydrophobicContact CG-CB 4.46Å; M188-A192 HydrophobicContact SD-CB 3.63Å; T189-A192 PolarHBondContact O-N 2.78Å; A192-A195 PolarHBondContact O-N 3.42Å; A192-L196 WeakPolarHBondContact O-CG 3.43Å; A192-L196 PolarHBondContact O-N 2.74Å
193D97.9Very high95.3Very high6 Ų618.2 Ų18.23%0.03210%0.098CC..Hα-helixtrans-65.7-44.6176.5-179.370.2000111.6A195 L196 H197 S320 F322D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 3.48Å; D193-L196 WeakPolarHBondContact O-CB 3.29Å; D193-L196 PolarHBondContact O-N 3.35Å; D193-L196 VanDerWaalsContact O-N 3.09Å; D193-H197 PolarHBondContact O-CD2 2.56Å; D193-H197 PolarHBondContact O-N 3.33Å; D193-H197 IonicContact OD2-CD2 3.1Å; D193-H197 IonicContact OD2-NE2 2.71Å; D193-S320 WeakPolarHBondContact OD2-CB 3.43Å; D193-S320 PolarHBondContact OD2-OG 3.34Å; D193-F322 HydrophobicContact CB-CD1 3.71Å; D193-F322 HydrophobicContact CB-CE1 4.37Å; D193-F322 HydrophobicContact CB-CG 4.48Å
194S98.5Very high95.5Very high2 Ų219 Ų191%0.01410%0.103CC..Hα-helixtrans-59-40.9174.9-62.60000112.4G191 H197 R198 P319 S320 D323G191-S194 PolarHBondContact O-N 3.38Å; S194-H197 WeakPolarHBondContact O-CB 3.48Å; S194-H197 PolarHBondContact O-N 2.9Å; S194-R198 WeakPolarHBondContact O-CG 3.36Å; S194-R198 PolarHBondContact O-N 3.02Å; S194-R198 VanDerWaalsContact O-N 3.16Å; S194-P319 WeakPolarHBondContact OG-CA 3.1Å; S194-S320 PolarHBondContact OG-N 2.92Å; S194-D323 WeakPolarHBondContact CB-OD2 3.33Å; S194-D323 PolarHBondContact N-OD2 3.41Å; S194-D323 PolarHBondContact OG-OD2 3.09Å
195A98.4Very high95.8Very high0 Ų021.5 Ų21.50%012%0.124CC..Hα-helixtrans-63-41.5174.800000111.9I179 G191 A192 D193 H197 R198 I199 L229 Q314I179-A195 HydrophobicContact CB-CB 3.71Å; I179-A195 HydrophobicContact CD1-CB 4.44Å; I179-A195 HydrophobicContact CG2-CB 3.91Å; G191-A195 WeakPolarHBondContact O-CB 3.29Å; G191-A195 PolarHBondContact O-N 3.29Å; A192-A195 PolarHBondContact O-N 3.42Å; D193-A195 VanDerWaalsContact C-N 3.31Å; D193-A195 PolarHBondContact O-N 3.48Å; A195-H197 VanDerWaalsContact C-N 3.31Å; A195-H197 PolarHBondContact O-N 3Å; A195-R198 WeakPolarHBondContact O-CB 3.08Å; A195-R198 PolarHBondContact O-N 3.01Å; A195-R198 VanDerWaalsContact O-N 3.1Å; A195-I199 WeakPolarHBondContact O-CD1 3.29Å; A195-I199 VanDerWaalsContact O-CG1 3.3Å; A195-I199 WeakPolarHBondContact O-CG1 3.15Å; A195-I199 PolarHBondContact O-N 3.05Å; A195-L229 HydrophobicContact CB-CD1 4.18Å; A195-L229 HydrophobicContact CB-CD2 4.05Å; A195-Q314 WeakPolarHBondContact CA-O 3.27Å; A195-Q314 WeakPolarHBondContact CB-O 3.5Å
196L98.3Very high96.2Very high4 Ų421 Ų212%0.02111%0.113CC..Hα-helixtrans-58.5-42172.8-71170.7000111.8A192 D193 R198 I199 I200 Y228 L229 V232 A233 P688A192-L196 WeakPolarHBondContact O-CG 3.43Å; A192-L196 PolarHBondContact O-N 2.74Å; D193-L196 WeakPolarHBondContact O-CB 3.29Å; D193-L196 PolarHBondContact O-N 3.35Å; D193-L196 VanDerWaalsContact O-N 3.09Å; L196-R198 VanDerWaalsContact C-N 3.29Å; L196-R198 PolarHBondContact O-N 3.24Å; L196-I199 HydrophobicContact CD2-CD1 4.42Å; L196-I199 PolarHBondContact O-N 3.48Å; L196-I200 WeakPolarHBondContact O-CB 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.43Å; L196-I200 PolarHBondContact O-N 3.46Å; L196-Y228 HydrophobicContact CD1-CE1 4.25Å; L196-L229 HydrophobicContact CD2-CD2 3.79Å; L196-L229 HydrophobicContact CG-CD2 3.74Å; L196-V232 HydrophobicContact CD1-CB 4.23Å; L196-V232 HydrophobicContact CD1-CG1 3.7Å; L196-V232 HydrophobicContact CD2-CB 3.98Å; L196-V232 HydrophobicContact CD2-CG1 4.04Å; L196-A233 HydrophobicContact CD2-CB 4.32Å; L196-P688 HydrophobicContact CB-CB 3.93Å; L196-P688 HydrophobicContact CB-CG 4.07Å
197H98.2Very high96.2Very high34 Ų3422.1 Ų22.116%0.15712%0.121CC..Hα-helixtrans-57.6-42174.6-87.6-98.4000112D193 S194 A195 E201 P688D193-H197 PolarHBondContact O-CD2 2.56Å; D193-H197 PolarHBondContact O-N 3.33Å; D193-H197 IonicContact OD2-CD2 3.1Å; D193-H197 IonicContact OD2-NE2 2.71Å; S194-H197 WeakPolarHBondContact O-CB 3.48Å; S194-H197 PolarHBondContact O-N 2.9Å; A195-H197 VanDerWaalsContact C-N 3.31Å; A195-H197 PolarHBondContact O-N 3Å; H197-E201 WeakPolarHBondContact O-CB 3.24Å; H197-E201 PolarHBondContact O-N 3.46Å; H197-P688 HydrophobicContact CB-CG 4.35Å; H197-P688 VanDerWaalsContact CE1-CD 3.5Å; H197-P688 WeakPolarHBondContact CE1-CD 3.42Å; H197-P688 WeakPolarHBondContact NE2-CD 3.41Å
198R98Very high96.3Very high74 Ų7423.8 Ų23.828%0.27913%0.133SC..Hα-helixtrans-67.6-40.8177.9-59.9-61.289.3-157.3-6.4112.1S194 A195 L196 E201 A202 V313S194-R198 WeakPolarHBondContact O-CG 3.36Å; S194-R198 PolarHBondContact O-N 3.02Å; S194-R198 VanDerWaalsContact O-N 3.16Å; A195-R198 WeakPolarHBondContact O-CB 3.08Å; A195-R198 PolarHBondContact O-N 3.01Å; A195-R198 VanDerWaalsContact O-N 3.1Å; L196-R198 VanDerWaalsContact C-N 3.29Å; L196-R198 PolarHBondContact O-N 3.24Å; R198-E201 IonicContact CZ-OE2 2.98Å; R198-E201 IonicContact NH1-OE1 3.39Å; R198-E201 IonicContact NH1-OE2 3.79Å; R198-E201 PolarHBondContact NH1-OE2 3.49Å; R198-E201 IonicContact NH2-OE2 3.59Å; R198-E201 PolarHBondContact NH2-OE2 3.48Å; R198-A202 WeakPolarHBondContact O-CB 3.18Å; R198-A202 PolarHBondContact O-N 2.87Å; R198-A202 VanDerWaalsContact O-N 3.1Å; R198-V313 VanDerWaalsContact CG-O 3.28Å; R198-V313 WeakPolarHBondContact CG-O 3.44Å
199I98.2Very high96.2Very high0 Ų025.2 Ų25.20%014%0.144CC..Hα-helixtrans-63.5-47178-64.3157.5000110.5A195 L196 A202 T203 V221 L229 A233 M275 L310 Q314A195-I199 WeakPolarHBondContact O-CD1 3.29Å; A195-I199 VanDerWaalsContact O-CG1 3.3Å; A195-I199 WeakPolarHBondContact O-CG1 3.15Å; A195-I199 PolarHBondContact O-N 3.05Å; L196-I199 HydrophobicContact CD2-CD1 4.42Å; L196-I199 PolarHBondContact O-N 3.48Å; I199-A202 PolarHBondContact O-N 3.3Å; I199-T203 WeakPolarHBondContact O-CB 3.49Å; I199-T203 PolarHBondContact O-N 2.73Å; I199-T203 PolarHBondContact O-OG1 3.35Å; I199-V221 HydrophobicContact CD1-CG1 3.43Å; I199-V221 VanDerWaalsContact CD1-CG1 3.43Å; I199-V221 HydrophobicContact CG1-CG1 4.03Å; I199-V221 HydrophobicContact CG2-CG2 4.22Å; I199-L229 HydrophobicContact CD1-CB 3.93Å; I199-L229 HydrophobicContact CD1-CD1 4.23Å; I199-L229 HydrophobicContact CD1-CD2 4.19Å; I199-L229 HydrophobicContact CD1-CG 4.35Å; I199-A233 HydrophobicContact CB-CB 4.5Å; I199-A233 HydrophobicContact CG2-CB 3.59Å; I199-M275 HydrophobicContact CG2-CE 4.49Å; I199-L310 HydrophobicContact CB-CD1 4.25Å; I199-L310 HydrophobicContact CG1-CD1 4.04Å; I199-L310 HydrophobicContact CG2-CD1 4.09Å; I199-Q314 HydrophobicContact CG1-CG 3.92Å
200I97.6Very high96Very high4 Ų425.1 Ų25.12%0.02114%0.143CC..Hα-helixtrans-67.2-41.6-179.2-65.8-57.2000111.6L196 A202 T203 D204 A233 A236 C237 P688 R691L196-I200 WeakPolarHBondContact O-CB 3.29Å; L196-I200 WeakPolarHBondContact O-CG1 3.43Å; L196-I200 PolarHBondContact O-N 3.46Å; I200-A202 PolarHBondContact O-N 3.14Å; I200-T203 PolarHBondContact O-N 3.38Å; I200-D204 WeakPolarHBondContact O-CB 3.48Å; I200-D204 VanDerWaalsContact O-CG 3.27Å; I200-D204 PolarHBondContact O-N 3.43Å; I200-A233 HydrophobicContact CD1-CB 4.34Å; I200-A236 HydrophobicContact CD1-CB 3.74Å; I200-A236 HydrophobicContact CG1-CB 4.32Å; I200-C237 HydrophobicContact CD1-CB 4.05Å; I200-P688 HydrophobicContact CB-CG 4.22Å; I200-P688 HydrophobicContact CG1-CB 4.09Å; I200-P688 HydrophobicContact CG1-CG 3.9Å; I200-R691 VanDerWaalsContact CG2-NH1 3.35Å
201E96.4Very high95.6Very high106 Ų10630 Ų3050%0.49517%0.166SC..Hα-helixtrans-57.7-48.3174.4-177.9-179.415700111.7H197 R198 T203 D204 A205H197-E201 WeakPolarHBondContact O-CB 3.24Å; H197-E201 PolarHBondContact O-N 3.46Å; R198-E201 IonicContact CZ-OE2 2.98Å; R198-E201 IonicContact NH1-OE1 3.39Å; R198-E201 IonicContact NH1-OE2 3.79Å; R198-E201 PolarHBondContact NH1-OE2 3.49Å; R198-E201 IonicContact NH2-OE2 3.59Å; R198-E201 PolarHBondContact NH2-OE2 3.48Å; E201-T203 VanDerWaalsContact C-N 3.35Å; E201-T203 PolarHBondContact O-N 3.18Å; E201-D204 PolarHBondContact O-N 2.99Å; E201-A205 WeakPolarHBondContact O-CB 3.32Å; E201-A205 PolarHBondContact O-N 3.08Å
202A96.7Very high95.3Very high23 Ų2333.7 Ų33.719%0.1919%0.192CC..Hα-helixtrans-63.8-41.1178.400000112R198 I199 I200 A205 I206 L310R198-A202 WeakPolarHBondContact O-CB 3.18Å; R198-A202 PolarHBondContact O-N 2.87Å; R198-A202 VanDerWaalsContact O-N 3.1Å; I199-A202 PolarHBondContact O-N 3.3Å; I200-A202 PolarHBondContact O-N 3.14Å; A202-A205 PolarHBondContact O-N 3.27Å; A202-I206 WeakPolarHBondContact O-CB 3.43Å; A202-I206 WeakPolarHBondContact O-CD1 3.33Å; A202-I206 VanDerWaalsContact O-CG1 3.23Å; A202-I206 WeakPolarHBondContact O-CG1 3.5Å; A202-I206 PolarHBondContact O-N 2.89Å; A202-L310 HydrophobicContact CB-CD1 4.34Å; A202-L310 HydrophobicContact CB-CD2 3.53Å
203T96.1Very high94.9Very high0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-64.4-43.9179-55.90000111.5I199 I200 E201 A205 I206 S207 L219 C237 I273 M275I199-T203 WeakPolarHBondContact O-CB 3.49Å; I199-T203 PolarHBondContact O-N 2.73Å; I199-T203 PolarHBondContact O-OG1 3.35Å; I200-T203 PolarHBondContact O-N 3.38Å; E201-T203 VanDerWaalsContact C-N 3.35Å; E201-T203 PolarHBondContact O-N 3.18Å; T203-A205 VanDerWaalsContact C-N 3.35Å; T203-I206 PolarHBondContact O-N 2.71Å; T203-S207 WeakPolarHBondContact O-CB 3.12Å; T203-S207 PolarHBondContact O-N 2.96Å; T203-S207 PolarHBondContact O-OG 2.91Å; T203-L219 HydrophobicContact CG2-CD1 3.83Å; T203-C237 HydrophobicContact CG2-CB 3.7Å; T203-I273 HydrophobicContact CG2-CG2 4.33Å; T203-M275 HydrophobicContact CG2-CE 3.82Å; T203-M275 WeakPolarHBondContact OG1-CE 3.36Å
204D94.8Very high94.6Very high22 Ų2243.1 Ų43.112%0.11824%0.235CC..Hα-helixtrans-65.9-40.3177.9-66.9-16.2000110.9I200 E201 I206 S207 T208 R685 R691I200-D204 WeakPolarHBondContact O-CB 3.48Å; I200-D204 VanDerWaalsContact O-CG 3.27Å; I200-D204 PolarHBondContact O-N 3.43Å; E201-D204 PolarHBondContact O-N 2.99Å; D204-I206 VanDerWaalsContact C-N 3.34Å; D204-I206 PolarHBondContact O-N 3.33Å; D204-S207 PolarHBondContact O-N 3.2Å; D204-T208 PolarHBondContact O-N 2.92Å; D204-R685 WeakPolarHBondContact OD2-CD 3.49Å; D204-R685 IonicContact OD2-NH1 2.76Å; D204-R691 IonicContact OD1-CZ 3.18Å; D204-R691 IonicContact OD1-NH1 2.93Å; D204-R691 PolarHBondContact OD1-NH1 3.26Å; D204-R691 IonicContact OD1-NH2 2.71Å; D204-R691 IonicContact OD2-CZ 2.76Å; D204-R691 IonicContact OD2-NH1 3.47Å; D204-R691 PolarHBondContact OD2-NH1 3.29Å; D204-R691 IonicContact OD2-NH2 2.84Å; D204-R691 PolarHBondContact OD2-NH2 3.43Å
205A94.6Very high94.3Very high57 Ų5745.5 Ų45.547%0.47124%0.244SC..Hα-helixtrans-59.9-45.7175.200000111.2E201 A202 T203 S207 T208E201-A205 WeakPolarHBondContact O-CB 3.32Å; E201-A205 PolarHBondContact O-N 3.08Å; A202-A205 PolarHBondContact O-N 3.27Å; T203-A205 VanDerWaalsContact C-N 3.35Å; A205-S207 VanDerWaalsContact C-N 3.34Å; A205-S207 PolarHBondContact O-N 2.98Å; A205-T208 PolarHBondContact O-N 3.31Å; A205-T208 PolarHBondContact O-OG1 3.21Å
206I94.5Very high94.2Very high22 Ų2245.5 Ų45.511%0.11324%0.244CC..Hα-helixtrans-65.9-37.6178-70.6166.8000111.6A202 T203 D204 T208 T209 A210 F217 L219 T308A202-I206 WeakPolarHBondContact O-CB 3.43Å; A202-I206 WeakPolarHBondContact O-CD1 3.33Å; A202-I206 VanDerWaalsContact O-CG1 3.23Å; A202-I206 WeakPolarHBondContact O-CG1 3.5Å; A202-I206 PolarHBondContact O-N 2.89Å; T203-I206 PolarHBondContact O-N 2.71Å; D204-I206 VanDerWaalsContact C-N 3.34Å; D204-I206 PolarHBondContact O-N 3.33Å; I206-T208 PolarHBondContact O-N 3.04Å; I206-T209 WeakPolarHBondContact O-CG2 3.23Å; I206-T209 PolarHBondContact O-N 2.93Å; I206-A210 WeakPolarHBondContact O-CB 3.4Å; I206-A210 PolarHBondContact O-N 3.33Å; I206-F217 HydrophobicContact CG2-CB 3.9Å; I206-F217 HydrophobicContact CG2-CD1 3.35Å; I206-F217 HydrophobicContact CG2-CD2 3.86Å; I206-F217 HydrophobicContact CG2-CE1 3.71Å; I206-F217 HydrophobicContact CG2-CE2 4.17Å; I206-F217 HydrophobicContact CG2-CG 3.41Å; I206-F217 VanDerWaalsContact CG2-CG 3.41Å; I206-F217 HydrophobicContact CG2-CZ 4.1Å; I206-L219 HydrophobicContact CD1-CD2 3.38Å; I206-T308 HydrophobicContact CD1-CG2 3.83Å
207S91Very high94.1Very high37 Ų3746 Ų4626%0.25925%0.246SC..Hα-helixtrans-58.7-34.5-179.4-65.10000112.3T203 D204 A205 A210 H211T203-S207 WeakPolarHBondContact O-CB 3.12Å; T203-S207 PolarHBondContact O-N 2.96Å; T203-S207 PolarHBondContact O-OG 2.91Å; D204-S207 PolarHBondContact O-N 3.2Å; A205-S207 VanDerWaalsContact C-N 3.34Å; A205-S207 PolarHBondContact O-N 2.98Å; S207-A210 PolarHBondContact O-N 2.79Å; S207-H211 WeakPolarHBondContact O-CB 3.45Å; S207-H211 PolarHBondContact O-N 2.72Å
208T90.6Very high94.1Very high81 Ų8144.4 Ų44.450%0.49724%0.239SC..Hα-helixtrans-64-47.7177.466.10000112.7D204 A205 I206 H211 S212D204-T208 PolarHBondContact O-N 2.92Å; A205-T208 PolarHBondContact O-N 3.31Å; A205-T208 PolarHBondContact O-OG1 3.21Å; I206-T208 PolarHBondContact O-N 3.04Å; T208-H211 PolarHBondContact O-N 2.96Å; T208-S212 PolarHBondContact O-N 3.15Å; T208-S212 PolarHBondContact O-OG 3.21Å
209T92.7Very high94.1Very high56 Ų5640.9 Ų40.934%0.34423%0.225SC..Hα-helixtrans-72.1-34.5177.5-175.60000112I206 H211 S212 H213 F217I206-T209 WeakPolarHBondContact O-CG2 3.23Å; I206-T209 PolarHBondContact O-N 2.93Å; T209-H211 VanDerWaalsContact C-N 3.28Å; T209-H211 PolarHBondContact O-N 2.85Å; T209-S212 PolarHBondContact O-N 2.83Å; T209-H213 PolarHBondContact O-CD2 3.08Å; T209-H213 PolarHBondContact O-N 2.82Å; T209-F217 HydrophobicContact CG2-CZ 4.08Å
210A90.6Very high94.1Very high0 Ų043.5 Ų43.50%024%0.238CC..Hα-helixtrans-60.9-40.7174.500000111.7I206 S207 H213 Q214 R215 F217 V271I206-A210 WeakPolarHBondContact O-CB 3.4Å; I206-A210 PolarHBondContact O-N 3.33Å; S207-A210 PolarHBondContact O-N 2.79Å; A210-H213 PolarHBondContact O-N 3.11Å; A210-Q214 WeakPolarHBondContact O-CA 3.45Å; A210-Q214 PolarHBondContact O-N 2.89Å; A210-R215 PolarHBondContact O-N 3.26Å; A210-F217 HydrophobicContact CB-CD2 3.43Å; A210-F217 VanDerWaalsContact CB-CD2 3.43Å; A210-F217 HydrophobicContact CB-CE2 3.44Å; A210-F217 VanDerWaalsContact CB-CE2 3.44Å; A210-V271 HydrophobicContact CB-CB 4.34Å; A210-V271 HydrophobicContact CB-CG1 3.61Å; A210-V271 HydrophobicContact CB-CG2 3.93Å
211H89.4Confident94.2Very high101 Ų10143.4 Ų43.447%0.46824%0.237SC..Hα-helixtrans-65.8-41.6179.5-175.8-90000112.3S207 T208 T209 H213 R270 V271S207-H211 WeakPolarHBondContact O-CB 3.45Å; S207-H211 PolarHBondContact O-N 2.72Å; T208-H211 PolarHBondContact O-N 2.96Å; T209-H211 VanDerWaalsContact C-N 3.28Å; T209-H211 PolarHBondContact O-N 2.85Å; H211-H213 VanDerWaalsContact C-N 3.34Å; H211-H213 PolarHBondContact O-N 2.96Å; H211-R270 WeakPolarHBondContact NE2-CD 3.31Å; H211-R270 PolarHBondContact O-NE 2.87Å; H211-R270 PolarHBondContact O-NH2 3.17Å; H211-V271 HydrophobicContact CB-CG2 3.61Å
212S91.2Very high94.3Very high79 Ų7939.2 Ų39.255%0.55222%0.218SC*.Hα-helixtrans-60.7-42.7178.1-630000112.2T208 T209 R270T208-S212 PolarHBondContact O-N 3.15Å; T208-S212 PolarHBondContact O-OG 3.21Å; T209-S212 PolarHBondContact O-N 2.83Å; S212-R270 PolarHBondContact O-NH2 3.4Å
213H90.1Very high94.2Very high105 Ų10538.1 Ų38.149%0.48621%0.209SC..Hα-helixtrans-100.14.5-174.9-65.6-69.2000115T209 A210 H211 R215T209-H213 PolarHBondContact O-CD2 3.08Å; T209-H213 PolarHBondContact O-N 2.82Å; A210-H213 PolarHBondContact O-N 3.11Å; H211-H213 VanDerWaalsContact C-N 3.34Å; H211-H213 PolarHBondContact O-N 2.96Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 HydrophobicContact CB-CG 3.69Å; H213-R215 PolarHBondContact CD2-NH1 3.48Å; H213-R215 PolarHBondContact O-N 2.87Å
214Q89.8Confident94Very high98 Ų9842.7 Ų42.746%0.45823%0.226SC..THydrogen-bonded Turntrans54.643.8-175.6-52.9-175.737.300113.3A210 R265 R270A210-Q214 WeakPolarHBondContact O-CA 3.45Å; A210-Q214 PolarHBondContact O-N 2.89Å; Q214-R265 PolarHBondContact O-NH1 3.41Å; Q214-R265 PolarHBondContact O-NH2 3.31Å; Q214-R265 VanDerWaalsContact O-NH2 3.16Å; Q214-R270 CarbonylContact C-O 3.52Å; Q214-R270 WeakPolarHBondContact CA-O 3.27Å; Q214-R270 VanDerWaalsContact CD-NH1 3.28Å; Q214-R270 HydrophobicContact CG-CB 4.32Å; Q214-R270 HydrophobicContact CG-CG 4.42Å; Q214-R270 VanDerWaalsContact CG-NH2 3.25Å
215R93Very high93.9Very high53 Ų5348 Ų4820%0.225%0.25CS..  trans-95.2161.7-170.2-75.8176.7175154.23.8114A210 H213 F217 R265 N272 D304A210-R215 PolarHBondContact O-N 3.26Å; H213-R215 VanDerWaalsContact C-N 3.32Å; H213-R215 HydrophobicContact CB-CG 3.69Å; H213-R215 PolarHBondContact CD2-NH1 3.48Å; H213-R215 PolarHBondContact O-N 2.87Å; R215-F217 HydrophobicContact CB-CD2 4.04Å; R215-F217 HydrophobicContact CB-CE2 3.67Å; R215-R265 PolarHBondContact O-NH2 3.4Å; R215-N272 PolarHBondContact O-N 3.11Å; R215-N272 VanDerWaalsContact O-N 3.15Å; R215-D304 WeakPolarHBondContact CA-O 3.38Å; R215-D304 WeakPolarHBondContact CB-O 3.17Å; R215-D304 HydrophobicContact CG-CB 4.1Å; R215-D304 IonicContact CZ-OD2 3.29Å; R215-D304 IonicContact NE-OD2 3.7Å; R215-D304 PolarHBondContact NE-OD2 3.09Å; R215-D304 IonicContact NH2-OD2 2.78Å; R215-D304 PolarHBondContact NH2-OD2 2.94Å
216C96Very high94Very high0 Ų045.3 Ų45.30%023%0.228CC..EExtended strand (participates in β ladder)trans-100133.1163-173.50000109.2N272 D304 T305 R306C216-N272 CarbonylContact C-O 3.52Å; C216-N272 WeakPolarHBondContact CA-O 3.38Å; C216-N272 HydrophobicContact CB-CB 4.21Å; C216-D304 PolarHBondContact N-O 3.38Å; C216-T305 HydrophobicContact CB-CG2 4.1Å; C216-T305 CarbonylContact O-C 3.6Å; C216-T305 VanDerWaalsContact O-CA 3.27Å; C216-T305 WeakPolarHBondContact O-CA 3.3Å; C216-R306 PolarHBondContact O-N 2.89Å
217F97.2Very high94.1Very high14 Ų1444.3 Ų44.36%0.06122%0.223CC..EExtended strand (participates in β ladder)trans-118.4134.5173.8-81.5-98.4000110.5I206 T209 A210 R215 N272 I273 I274 R306I206-F217 HydrophobicContact CG2-CB 3.9Å; I206-F217 HydrophobicContact CG2-CD1 3.35Å; I206-F217 HydrophobicContact CG2-CD2 3.86Å; I206-F217 HydrophobicContact CG2-CE1 3.71Å; I206-F217 HydrophobicContact CG2-CE2 4.17Å; I206-F217 HydrophobicContact CG2-CG 3.41Å; I206-F217 VanDerWaalsContact CG2-CG 3.41Å; I206-F217 HydrophobicContact CG2-CZ 4.1Å; T209-F217 HydrophobicContact CG2-CZ 4.08Å; A210-F217 HydrophobicContact CB-CD2 3.43Å; A210-F217 VanDerWaalsContact CB-CD2 3.43Å; A210-F217 HydrophobicContact CB-CE2 3.44Å; A210-F217 VanDerWaalsContact CB-CE2 3.44Å; R215-F217 HydrophobicContact CB-CD2 4.04Å; R215-F217 HydrophobicContact CB-CE2 3.67Å; F217-N272 PolarHBondContact N-O 3.34Å; F217-I273 HydrophobicContact CB-CD1 4Å; F217-I273 WeakPolarHBondContact O-CA 3.43Å; F217-I274 PolarHBondContact O-N 3.2Å; F217-R306 WeakPolarHBondContact CA-O 3.43Å; F217-R306 HydrophobicContact CD1-CB 3.88Å; F217-R306 HydrophobicContact CE1-CB 3.69Å; F217-R306 HydrophobicContact CE1-CG 4.34Å; F217-R306 HydrophobicContact CZ-CB 4.21Å; F217-R306 HydrophobicContact CZ-CG 4.43Å
218I98.1Very high94.4Very high0 Ų043.1 Ų43.10%021%0.213CC..EExtended strand (participates in β ladder)trans-109.1117173.5-58.5163.1000106.8I274 V276 C290 V293 K294 I297 T305 R306 I307 T308I218-I274 CarbonylContact C-O 3.59Å; I218-I274 WeakPolarHBondContact CA-O 3.25Å; I218-I274 HydrophobicContact CG1-CB 4.23Å; I218-I274 HydrophobicContact CG1-CD1 4.35Å; I218-V276 HydrophobicContact CG2-CG2 3.58Å; I218-C290 HydrophobicContact CG2-CB 3.91Å; I218-V293 HydrophobicContact CD1-CB 4.03Å; I218-V293 HydrophobicContact CD1-CG1 3.78Å; I218-V293 HydrophobicContact CG1-CG1 4.21Å; I218-K294 VanDerWaalsContact CD1-CA 3.44Å; I218-K294 HydrophobicContact CD1-CB 3.64Å; I218-K294 VanDerWaalsContact CD1-N 3.32Å; I218-I297 HydrophobicContact CD1-CD1 4.3Å; I218-T305 HydrophobicContact CD1-CG2 3.6Å; I218-T305 HydrophobicContact CG1-CG2 4.03Å; I218-R306 PolarHBondContact N-O 2.92Å; I218-I307 HydrophobicContact CB-CG1 4.27Å; I218-I307 HydrophobicContact CD1-CG1 4.37Å; I218-I307 CarbonylContact O-C 3.5Å; I218-I307 WeakPolarHBondContact O-CA 3.23Å; I218-T308 PolarHBondContact O-N 3.14Å
219L98Very high94.8Very high0 Ų039.2 Ų39.20%019%0.189CC..EExtended strand (participates in β ladder)trans-106.4117.5-175.6-63.9171.1000109.4T203 I206 I273 I274 M275 V276 T308T203-L219 HydrophobicContact CG2-CD1 3.83Å; I206-L219 HydrophobicContact CD1-CD2 3.38Å; L219-I273 HydrophobicContact CD1-CG2 3.72Å; L219-I274 PolarHBondContact N-O 3.24Å; L219-M275 HydrophobicContact CB-CE 4.46Å; L219-M275 HydrophobicContact CB-SD 3.66Å; L219-M275 HydrophobicContact CD1-CE 3.5Å; L219-M275 HydrophobicContact CD1-SD 3.84Å; L219-M275 HydrophobicContact CG-SD 4.35Å; L219-V276 PolarHBondContact O-N 3.1Å; L219-T308 WeakPolarHBondContact CA-O 3.36Å; L219-T308 HydrophobicContact CD2-CG2 4.41Å
220E98.6Very high95Very high56 Ų5636.6 Ų36.626%0.26217%0.173SC..EExtended strand (participates in β ladder)trans-87121.2173-161.1175.9107.600109.8V276 C290 T308 V309 L310E220-V276 WeakPolarHBondContact CA-O 3.47Å; E220-C290 PolarHBondContact OE2-SG 3.28Å; E220-T308 PolarHBondContact N-O 3.22Å; E220-V309 HydrophobicContact CB-CB 4.27Å; E220-V309 HydrophobicContact CB-CG1 4.22Å; E220-V309 HydrophobicContact CB-CG2 3.98Å; E220-L310 PolarHBondContact O-N 3.29Å
221V98.3Very high95.3Very high1 Ų136.6 Ų36.61%0.00617%0.173CC..EExtended strand (participates in β ladder)trans-115.1138.5-173.5-178.60000109.1I199 L229 A230 M275 V276 E278 L310I199-V221 HydrophobicContact CD1-CG1 3.43Å; I199-V221 VanDerWaalsContact CD1-CG1 3.43Å; I199-V221 HydrophobicContact CG1-CG1 4.03Å; I199-V221 HydrophobicContact CG2-CG2 4.22Å; V221-L229 HydrophobicContact CG1-CB 3.83Å; V221-A230 HydrophobicContact CB-CB 4.34Å; V221-A230 HydrophobicContact CG1-CB 4.47Å; V221-M275 HydrophobicContact CG2-SD 3.78Å; V221-V276 PolarHBondContact N-O 3.44Å; V221-E278 PolarHBondContact O-N 3.07Å; V221-L310 HydrophobicContact CG2-CD1 4.48Å
222M98.2Very high95.7Very high18 Ų1832 Ų329%0.08915%0.152CC..  trans-68.9168.2177-76.4-177.6109.400111.2I179 L229 Q314 R315I179-M222 HydrophobicContact CD1-CB 3.98Å; I179-M222 HydrophobicContact CD1-SD 4.11Å; M222-L229 WeakPolarHBondContact O-CD1 3.2Å; M222-Q314 VanDerWaalsContact CG-NE2 3.34Å; M222-Q314 HydrophobicContact SD-CB 4.36Å; M222-R315 HydrophobicContact SD-CG 4.41Å
223G95.1Very high96Very high1 Ų128.2 Ų28.21%0.0113%0.125CC..  trans155.22.3178.500000113.4D180 H225 C226 E278D180-G223 VanDerWaalsContact OD1-CA 3.22Å; D180-G223 WeakPolarHBondContact OD1-CA 3.41Å; D180-G223 PolarHBondContact OD1-N 2.93Å; G223-H225 PolarHBondContact O-N 2.8Å; G223-C226 CarbonylContact C-O 3.55Å; G223-C226 WeakPolarHBondContact CA-O 3.38Å; G223-C226 WeakPolarHBondContact O-CA 3.35Å; G223-C226 WeakPolarHBondContact O-CB 3.34Å; G223-C226 PolarHBondContact O-N 2.89Å; G223-E278 PolarHBondContact N-OE1 3.23Å
224R92.9Very high96.3Very high96 Ų9623.3 Ų23.336%0.36210%0.103SC..THydrogen-bonded Turntrans54.8-97-173.1-175.2-163.4-74.2162.3-15.6111.6D133 D182 E278 G279D133-R224 IonicContact OD1-CZ 2.63Å; D133-R224 IonicContact OD1-NH1 3.4Å; D133-R224 PolarHBondContact OD1-NH1 2.88Å; D133-R224 IonicContact OD1-NH2 3.25Å; D133-R224 IonicContact OD2-NH1 2.69Å; D182-R224 IonicContact OD2-NH1 3.75Å; D182-R224 PolarHBondContact OD2-NH1 3.25Å; D182-R224 VanDerWaalsContact OD2-NH1 3.16Å; R224-E278 VanDerWaalsContact CA-OE1 3.26Å; R224-E278 WeakPolarHBondContact CA-OE1 3.23Å; R224-E278 PolarHBondContact N-OE1 2.93Å; R224-G279 VanDerWaalsContact O-CA 3.22Å; R224-G279 WeakPolarHBondContact O-CA 3.47Å; R224-G279 PolarHBondContact O-N 2.71Å
225H92.8Very high96.5Very high133 Ų13319 Ų1962%0.6168%0.083SC*.THydrogen-bonded Turntrans-116.418.7178.1-58.6-50.2000111G223 R390G223-H225 PolarHBondContact O-N 2.8Å; H225-R390 PolarHBondContact O-NH2 2.98Å
226C95.6Very high96.5Very high1 Ų116.5 Ų16.51%0.0077%0.073CC..  trans-117.7127179.2-171.40000110.7D180 D182 G223 Y228 E246D180-C226 PolarHBondContact O-SG 3.28Å; D182-C226 HydrophobicContact CB-CB 3.63Å; G223-C226 CarbonylContact C-O 3.55Å; G223-C226 WeakPolarHBondContact CA-O 3.38Å; G223-C226 WeakPolarHBondContact O-CA 3.35Å; G223-C226 WeakPolarHBondContact O-CB 3.34Å; G223-C226 PolarHBondContact O-N 2.89Å; C226-Y228 VanDerWaalsContact C-N 3.29Å; C226-Y228 PolarHBondContact O-N 2.92Å; C226-Y228 VanDerWaalsContact SG-CB 3.56Å; C226-E246 VanDerWaalsContact CA-OE1 3.24Å; C226-E246 WeakPolarHBondContact CA-OE1 3.4Å
227G97Very high96.4Very high0 Ų017.6 Ų17.60%08%0.081CC..  trans-83.22.6176.800000114.8L229 A230 L231 E246G227-L229 PolarHBondContact O-N 2.99Å; G227-A230 PolarHBondContact O-N 3.23Å; G227-L231 VanDerWaalsContact O-CB 3.28Å; G227-L231 WeakPolarHBondContact O-CB 3.44Å; G227-L231 PolarHBondContact O-N 2.95Å; G227-E246 VanDerWaalsContact CA-OE2 3.26Å; G227-E246 WeakPolarHBondContact CA-OE2 3.43Å; G227-E246 PolarHBondContact N-OE1 3.37Å; G227-E246 VanDerWaalsContact N-OE1 3.13Å; G227-E246 PolarHBondContact N-OE2 3.47Å
228Y97.3Very high95.9Very high12 Ų1218.2 Ų18.25%0.0478%0.084CC..Hα-helixtrans-55.7-51-170.3179.1-91.9000112.6N181 M188 L196 C226 A230 L231 V232 F394N181-Y228 HydrophobicContact CB-CD1 3.52Å; N181-Y228 HydrophobicContact CB-CD2 4.42Å; N181-Y228 HydrophobicContact CB-CE1 3.98Å; N181-Y228 HydrophobicContact CB-CG 3.79Å; N181-Y228 WeakPolarHBondContact ND2-CD2 3.15Å; N181-Y228 WeakPolarHBondContact ND2-CE1 3.47Å; N181-Y228 WeakPolarHBondContact ND2-CE2 3.48Å; M188-Y228 WeakPolarHBondContact CE-OH 3.45Å; M188-Y228 HydrophobicContact SD-CE1 4.17Å; L196-Y228 HydrophobicContact CD1-CE1 4.25Å; C226-Y228 VanDerWaalsContact C-N 3.29Å; C226-Y228 PolarHBondContact O-N 2.92Å; C226-Y228 VanDerWaalsContact SG-CB 3.56Å; Y228-A230 PolarHBondContact O-N 3.48Å; Y228-L231 PolarHBondContact O-N 3.29Å; Y228-V232 HydrophobicContact CD1-CG2 4.4Å; Y228-V232 HydrophobicContact CD2-CG2 4.23Å; Y228-V232 HydrophobicContact CE1-CG2 4.03Å; Y228-V232 HydrophobicContact CE2-CG2 3.88Å; Y228-V232 HydrophobicContact CG-CG2 4.49Å; Y228-V232 WeakPolarHBondContact O-CG2 3.37Å; Y228-V232 PolarHBondContact O-N 3.41Å; Y228-F394 HydrophobicContact CD2-CD2 4.08Å
229L98.1Very high95.7Very high0 Ų018.7 Ų18.70%09%0.088CC..Hα-helixtrans-60-49-180-71.3180000111.5I179 A195 L196 I199 V221 M222 G227 L231 A233I179-L229 HydrophobicContact CB-CD1 4.48Å; I179-L229 HydrophobicContact CD1-CD1 4.31Å; I179-L229 HydrophobicContact CG1-CD1 4.45Å; I179-L229 WeakPolarHBondContact O-CD1 3.34Å; I179-L229 WeakPolarHBondContact O-CD2 3.33Å; I179-L229 WeakPolarHBondContact O-CG 3.16Å; A195-L229 HydrophobicContact CB-CD1 4.18Å; A195-L229 HydrophobicContact CB-CD2 4.05Å; L196-L229 HydrophobicContact CD2-CD2 3.79Å; L196-L229 HydrophobicContact CG-CD2 3.74Å; I199-L229 HydrophobicContact CD1-CB 3.93Å; I199-L229 HydrophobicContact CD1-CD1 4.23Å; I199-L229 HydrophobicContact CD1-CD2 4.19Å; I199-L229 HydrophobicContact CD1-CG 4.35Å; V221-L229 HydrophobicContact CG1-CB 3.83Å; M222-L229 WeakPolarHBondContact O-CD1 3.2Å; G227-L229 PolarHBondContact O-N 2.99Å; L229-L231 PolarHBondContact O-N 3.28Å; L229-A233 WeakPolarHBondContact O-CB 3.39Å; L229-A233 PolarHBondContact O-N 3.4Å
230A98Very high95.5Very high0 Ų019 Ų190%09%0.09CC..Hα-helixtrans-62.6-40.917900000112.1V221 G227 Y228 S234 V242 I244 A277V221-A230 HydrophobicContact CB-CB 4.34Å; V221-A230 HydrophobicContact CG1-CB 4.47Å; G227-A230 PolarHBondContact O-N 3.23Å; Y228-A230 PolarHBondContact O-N 3.48Å; A230-S234 VanDerWaalsContact O-CB 3.23Å; A230-S234 WeakPolarHBondContact O-CB 3.44Å; A230-S234 PolarHBondContact O-N 2.75Å; A230-S234 PolarHBondContact O-OG 3.38Å; A230-V242 HydrophobicContact CB-CG2 3.95Å; A230-I244 HydrophobicContact CB-CG2 4.06Å; A230-A277 HydrophobicContact CB-CB 3.87Å
231L97.5Very high95.3Very high0 Ų018.5 Ų18.50%09%0.085CC..Hα-helixtrans-64.9-52.1179.2174.560.4000111.8G227 Y228 L229 S234 M235 I244 F394 N397 L398 Y401G227-L231 VanDerWaalsContact O-CB 3.28Å; G227-L231 WeakPolarHBondContact O-CB 3.44Å; G227-L231 PolarHBondContact O-N 2.95Å; Y228-L231 PolarHBondContact O-N 3.29Å; L229-L231 PolarHBondContact O-N 3.28Å; L231-S234 WeakPolarHBondContact O-CB 3.46Å; L231-S234 PolarHBondContact O-N 2.96Å; L231-M235 PolarHBondContact O-N 3.31Å; L231-M235 VanDerWaalsContact O-N 3.14Å; L231-I244 HydrophobicContact CB-CG2 4.41Å; L231-F394 HydrophobicContact CD2-CD1 4.45Å; L231-F394 HydrophobicContact CD2-CE1 4.11Å; L231-F394 HydrophobicContact CD2-CE2 4.24Å; L231-F394 HydrophobicContact CD2-CZ 4Å; L231-N397 HydrophobicContact CD2-CB 3.77Å; L231-N397 HydrophobicContact CG-CB 4.15Å; L231-L398 HydrophobicContact CD1-CD1 4.16Å; L231-L398 HydrophobicContact CD2-CB 4.14Å; L231-L398 HydrophobicContact CD2-CD1 4.42Å; L231-Y401 HydrophobicContact CD1-CD1 4.26Å; L231-Y401 HydrophobicContact CD1-CG 3.93Å
232V96.9Very high95.3Very high5 Ų518.6 Ų18.63%0.039%0.086CC..Hα-helixtrans-68.8-40.6-178.8177.90000110.7L196 Y228 S234 M235 A236L196-V232 HydrophobicContact CD1-CB 4.23Å; L196-V232 HydrophobicContact CD1-CG1 3.7Å; L196-V232 HydrophobicContact CD2-CB 3.98Å; L196-V232 HydrophobicContact CD2-CG1 4.04Å; Y228-V232 HydrophobicContact CD1-CG2 4.4Å; Y228-V232 HydrophobicContact CD2-CG2 4.23Å; Y228-V232 HydrophobicContact CE1-CG2 4.03Å; Y228-V232 HydrophobicContact CE2-CG2 3.88Å; Y228-V232 HydrophobicContact CG-CG2 4.49Å; Y228-V232 WeakPolarHBondContact O-CG2 3.37Å; Y228-V232 PolarHBondContact O-N 3.41Å; V232-S234 VanDerWaalsContact C-N 3.3Å; V232-S234 PolarHBondContact O-N 2.91Å; V232-M235 PolarHBondContact O-N 3.03Å; V232-A236 WeakPolarHBondContact O-CB 3.14Å; V232-A236 PolarHBondContact O-N 3.36Å
233A97.4Very high95.3Very high0 Ų017.9 Ų17.90%08%0.082CC..Hα-helixtrans-59.1-42.8173.700000111.3L196 I199 I200 L229 M235 A236 C237 M275L196-A233 HydrophobicContact CD2-CB 4.32Å; I199-A233 HydrophobicContact CB-CB 4.5Å; I199-A233 HydrophobicContact CG2-CB 3.59Å; I200-A233 HydrophobicContact CD1-CB 4.34Å; L229-A233 WeakPolarHBondContact O-CB 3.39Å; L229-A233 PolarHBondContact O-N 3.4Å; A233-M235 VanDerWaalsContact C-N 3.32Å; A233-M235 PolarHBondContact O-N 3.43Å; A233-A236 CarbonylContact O-C 3.48Å; A233-A236 PolarHBondContact O-N 3.29Å; A233-A236 VanDerWaalsContact O-N 3.11Å; A233-C237 PolarHBondContact O-N 2.67Å; A233-C237 PolarHBondContact O-SG 3.2Å; A233-M275 HydrophobicContact CB-CE 4.44Å
234S96Very high95.4Very high2 Ų217.9 Ų17.91%0.0148%0.082CC..Hα-helixtrans-59.7-41177.4-64.80000112.7A230 L231 V232 E238 A239 V242 M275A230-S234 VanDerWaalsContact O-CB 3.23Å; A230-S234 WeakPolarHBondContact O-CB 3.44Å; A230-S234 PolarHBondContact O-N 2.75Å; A230-S234 PolarHBondContact O-OG 3.38Å; L231-S234 WeakPolarHBondContact O-CB 3.46Å; L231-S234 PolarHBondContact O-N 2.96Å; V232-S234 VanDerWaalsContact C-N 3.3Å; V232-S234 PolarHBondContact O-N 2.91Å; S234-E238 WeakPolarHBondContact O-CA 3.34Å; S234-E238 PolarHBondContact O-N 3.25Å; S234-E238 VanDerWaalsContact O-N 3.1Å; S234-A239 PolarHBondContact O-N 3.34Å; S234-V242 VanDerWaalsContact OG-CB 3.32Å; S234-V242 WeakPolarHBondContact OG-CB 3.34Å; S234-V242 WeakPolarHBondContact OG-CG2 3.45Å; S234-M275 VanDerWaalsContact OG-CB 3.28Å; S234-M275 WeakPolarHBondContact OG-CB 3.34Å; S234-M275 VanDerWaalsContact OG-CG 3.29Å; S234-M275 WeakPolarHBondContact OG-CG 3.4Å
235M93.6Very high95.6Very high7 Ų713.5 Ų13.53%0.0347%0.066CC..Hα-helixtrans-65.2-43.4173.5-68.1175.655.400111.7L231 V232 A233 C237 N397 T400 Y401 T695 K696L231-M235 PolarHBondContact O-N 3.31Å; L231-M235 VanDerWaalsContact O-N 3.14Å; V232-M235 PolarHBondContact O-N 3.03Å; A233-M235 VanDerWaalsContact C-N 3.32Å; A233-M235 PolarHBondContact O-N 3.43Å; M235-C237 PolarHBondContact O-N 2.78Å; M235-N397 HydrophobicContact SD-CB 3.95Å; M235-N397 VanDerWaalsContact SD-O 3.34Å; M235-T400 HydrophobicContact CE-CG2 3.59Å; M235-Y401 HydrophobicContact CG-CD2 4.44Å; M235-T695 HydrophobicContact CE-CG2 4.4Å; M235-K696 HydrophobicContact CE-CG 3.93Å
236A94.6Very high95.8Very high0 Ų07.2 Ų7.20%04%0.037CC..Hα-helixtrans-77.3-15.1-176.400000114.5I200 V232 A233 V477 R691I200-A236 HydrophobicContact CD1-CB 3.74Å; I200-A236 HydrophobicContact CG1-CB 4.32Å; V232-A236 WeakPolarHBondContact O-CB 3.14Å; V232-A236 PolarHBondContact O-N 3.36Å; A233-A236 CarbonylContact O-C 3.48Å; A233-A236 PolarHBondContact O-N 3.29Å; A233-A236 VanDerWaalsContact O-N 3.11Å; A236-V477 VanDerWaalsContact O-CG1 3.22Å; A236-V477 WeakPolarHBondContact O-CG1 3.38Å; A236-R691 HydrophobicContact CB-CB 3.86Å; A236-R691 WeakPolarHBondContact O-CD 3.41Å
237C92.2Very high95.8Very high23 Ų2310 Ų1016%0.1555%0.051CC..Hα-helixtrans-1161.4176.672.40000114.6I200 T203 A233 M235 M275I200-C237 HydrophobicContact CD1-CB 4.05Å; T203-C237 HydrophobicContact CG2-CB 3.7Å; A233-C237 PolarHBondContact O-N 2.67Å; A233-C237 PolarHBondContact O-SG 3.2Å; M235-C237 PolarHBondContact O-N 2.78Å; C237-M275 WeakPolarHBondContact SG-CE 3.45Å
238E88.5Confident95.8Very high28 Ų2810.3 Ų10.313%0.1315%0.052CC..THydrogen-bonded Turntrans58.844.3-172.2-50.3-175.8-152.900114.1S234 D240 R437 R441 V477S234-E238 WeakPolarHBondContact O-CA 3.34Å; S234-E238 PolarHBondContact O-N 3.25Å; S234-E238 VanDerWaalsContact O-N 3.1Å; E238-D240 PolarHBondContact O-N 3.32Å; E238-R437 WeakPolarHBondContact OE1-CG 3.45Å; E238-R437 IonicContact OE1-NE 2.92Å; E238-R437 PolarHBondContact OE1-NE 2.64Å; E238-R437 IonicContact OE2-CZ 3.63Å; E238-R437 IonicContact OE2-NE 3.04Å; E238-R437 PolarHBondContact OE2-NE 3.02Å; E238-R437 IonicContact OE2-NH2 3.57Å; E238-R437 PolarHBondContact OE2-NH2 3.23Å; E238-R441 IonicContact OE2-CZ 3.91Å; E238-R441 IonicContact OE2-NH1 3.32Å; E238-R441 IonicContact OE2-NH2 3.37Å; E238-R441 PolarHBondContact OE2-NH2 3.26Å; E238-V477 HydrophobicContact CG-CB 3.7Å; E238-V477 HydrophobicContact CG-CG1 4.33Å; E238-V477 HydrophobicContact CG-CG2 3.52Å; E238-V477 VanDerWaalsContact OE1-CB 3.24Å; E238-V477 WeakPolarHBondContact OE1-CB 3.43Å; E238-V477 WeakPolarHBondContact OE1-CG2 3.21Å; E238-V477 PolarHBondContact OE1-N 2.63Å
239A92.9Very high95.7Very high10 Ų1010.5 Ų10.58%0.0836%0.055CC..  trans-57.2137.5176.600000111.2S234 W241 I273 M275S234-A239 PolarHBondContact O-N 3.34Å; A239-W241 PolarHBondContact O-N 2.93Å; A239-I273 CarbonylContact C-O 3.42Å; A239-I273 HydrophobicContact CB-CG2 4.3Å; A239-M275 HydrophobicContact CB-CG 3.8Å
240D93.1Very high95.4Very high7 Ų712.7 Ų12.74%0.0377%0.069CC..SBendtrans-65.8-32.8176.3-64.8-98.6000111.2E238 K260 L261 N264 Q269 N272 I273E238-D240 PolarHBondContact O-N 3.32Å; D240-K260 WeakPolarHBondContact O-CD 3.32Å; D240-K260 WeakPolarHBondContact O-CE 3.46Å; D240-K260 PolarHBondContact O-NZ 3.11Å; D240-L261 HydrophobicContact CB-CD2 3.81Å; D240-N264 PolarHBondContact OD1-ND2 3.2Å; D240-Q269 PolarHBondContact OD1-NE2 3.29Å; D240-Q269 PolarHBondContact OD2-NE2 3.48Å; D240-N272 PolarHBondContact OD1-ND2 3.25Å; D240-N272 WeakPolarHBondContact OD2-CA 3.49Å; D240-I273 PolarHBondContact N-O 3.05Å; D240-I273 PolarHBondContact OD2-N 3.37Å
241W95.6Very high95.1Very high44 Ų4419.3 Ų19.317%0.16710%0.104CC..EExtended strand (participates in β ladder)trans-152.2151.5177.9-155.3-85000111.3A239 F243 K256 L257 K260 I274 M275 Y401A239-W241 PolarHBondContact O-N 2.93Å; W241-F243 AromaticContact CD1-CD2 3.76Å; W241-F243 AromaticContact CD1-CE2 3.41Å; W241-F243 VanDerWaalsContact CD1-CE2 3.41Å; W241-F243 AromaticContact CD1-CZ 3.63Å; W241-F243 HydrophobicContact CG-CE2 4.32Å; W241-F243 AromaticContact NE1-CE1 3.87Å; W241-F243 AromaticContact NE1-CE2 3.97Å; W241-F243 AromaticContact NE1-CZ 3.69Å; W241-K256 HydrophobicContact CH2-CB 3.94Å; W241-K256 HydrophobicContact CZ3-CB 4.49Å; W241-L257 HydrophobicContact CB-CD1 3.68Å; W241-L257 HydrophobicContact CD2-CD1 3.86Å; W241-L257 HydrophobicContact CE3-CD1 3.94Å; W241-L257 HydrophobicContact CG-CD1 3.75Å; W241-K260 HydrophobicContact CE3-CD 3.61Å; W241-K260 HydrophobicContact CZ3-CB 4.35Å; W241-K260 HydrophobicContact CZ3-CD 3.79Å; W241-I274 HydrophobicContact CB-CG1 4.36Å; W241-I274 HydrophobicContact CB-CG2 4.29Å; W241-I274 WeakPolarHBondContact O-CA 3.44Å; W241-M275 PolarHBondContact O-N 2.91Å; W241-Y401 WeakPolarHBondContact CA-OH 3.38Å
242V97.2Very high94.9Very high4 Ų422.5 Ų22.52%0.02412%0.121CC..EExtended strand (participates in β ladder)trans-129.7136.9172.475.40000109.6A230 S234 I244 M275 Y401A230-V242 HydrophobicContact CB-CG2 3.95Å; S234-V242 VanDerWaalsContact OG-CB 3.32Å; S234-V242 WeakPolarHBondContact OG-CB 3.34Å; S234-V242 WeakPolarHBondContact OG-CG2 3.45Å; V242-I244 HydrophobicContact CG2-CG2 3.76Å; V242-M275 CarbonylContact C-O 3.58Å; V242-M275 VanDerWaalsContact CA-O 3.27Å; V242-M275 WeakPolarHBondContact CA-O 3.44Å; V242-M275 HydrophobicContact CB-CB 4.39Å; V242-M275 HydrophobicContact CG2-CB 3.88Å; V242-Y401 HydrophobicContact CB-CE1 4.49Å; V242-Y401 HydrophobicContact CB-CE2 4.34Å; V242-Y401 HydrophobicContact CG1-CD1 4.01Å; V242-Y401 HydrophobicContact CG1-CE1 3.39Å; V242-Y401 HydrophobicContact CG1-CE2 3.95Å; V242-Y401 PolarHBondContact N-OH 3.24Å
243F98.1Very high94.8Very high2 Ų223 Ų231%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-108.8117167.2-66.3-89.9000108.7W241 P249 W253 L257 I274 M275 V276 A277 A280 I288 V293W241-F243 AromaticContact CD1-CD2 3.76Å; W241-F243 AromaticContact CD1-CE2 3.41Å; W241-F243 VanDerWaalsContact CD1-CE2 3.41Å; W241-F243 AromaticContact CD1-CZ 3.63Å; W241-F243 HydrophobicContact CG-CE2 4.32Å; W241-F243 AromaticContact NE1-CE1 3.87Å; W241-F243 AromaticContact NE1-CE2 3.97Å; W241-F243 AromaticContact NE1-CZ 3.69Å; F243-P249 HydrophobicContact CD1-CG 4.06Å; F243-P249 HydrophobicContact CE1-CG 3.99Å; F243-W253 HydrophobicContact CE1-CD2 4.08Å; F243-W253 AromaticContact CE1-CE3 3.69Å; F243-W253 HydrophobicContact CE1-CE3 3.69Å; F243-W253 HydrophobicContact CE1-CH2 4.47Å; F243-W253 AromaticContact CE1-CZ3 3.92Å; F243-W253 HydrophobicContact CE1-CZ3 3.92Å; F243-W253 HydrophobicContact CZ-CD2 4.41Å; F243-W253 AromaticContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CH2 4.32Å; F243-W253 AromaticContact CZ-CZ3 3.52Å; F243-W253 HydrophobicContact CZ-CZ3 3.52Å; F243-L257 HydrophobicContact CE2-CD2 4.47Å; F243-L257 HydrophobicContact CZ-CD2 4.22Å; F243-I274 HydrophobicContact CD2-CG2 4Å; F243-I274 HydrophobicContact CE2-CG2 3.83Å; F243-M275 PolarHBondContact N-O 2.94Å; F243-V276 HydrophobicContact CB-CG1 4.35Å; F243-V276 HydrophobicContact CD2-CG2 3.97Å; F243-A277 WeakPolarHBondContact O-CB 3.32Å; F243-A277 PolarHBondContact O-N 3.43Å; F243-A280 HydrophobicContact CB-CB 3.82Å; F243-I288 HydrophobicContact CD1-CD1 3.83Å; F243-I288 HydrophobicContact CD1-CG2 3.93Å; F243-I288 HydrophobicContact CE1-CD1 4.11Å; F243-I288 HydrophobicContact CE1-CG2 4.11Å; F243-I288 HydrophobicContact CG-CG2 4.34Å; F243-V293 HydrophobicContact CD2-CG2 4.37Å; F243-V293 HydrophobicContact CE2-CG1 4.21Å; F243-V293 HydrophobicContact CE2-CG2 3.85Å; F243-V293 HydrophobicContact CZ-CG2 4.07Å
244I97.9Very high94.8Very high1 Ų129.4 Ų29.41%0.00515%0.147CC..  trans-127.9147.5177.657.4171.7000110.5A230 L231 V242 E246 M247 F394 L398A230-I244 HydrophobicContact CB-CG2 4.06Å; L231-I244 HydrophobicContact CB-CG2 4.41Å; V242-I244 HydrophobicContact CG2-CG2 3.76Å; I244-E246 VanDerWaalsContact C-N 3.31Å; I244-E246 PolarHBondContact O-N 3.47Å; I244-M247 HydrophobicContact CD1-CB 3.93Å; I244-M247 HydrophobicContact CG1-CB 3.9Å; I244-M247 CarbonylContact O-C 3.29Å; I244-M247 PolarHBondContact O-N 3.41Å; I244-F394 HydrophobicContact CD1-CZ 4.23Å; I244-L398 HydrophobicContact CD1-CD1 3.82Å
245P97.4Very high94.8Very high4 Ų435.4 Ų35.43%0.02617%0.174CC..THydrogen-bonded Turntrans-63.2-35.4178.619.6-26.9000112.9M247 P248 G279 I281 M378P245-M247 PolarHBondContact O-N 3.09Å; P245-P248 VanDerWaalsContact O-CD 3.22Å; P245-P248 WeakPolarHBondContact O-CD 3.09Å; P245-P248 VanDerWaalsContact O-CG 3.26Å; P245-P248 WeakPolarHBondContact O-CG 3.45Å; P245-G279 WeakPolarHBondContact CB-O 3.43Å; P245-I281 HydrophobicContact CB-CG1 4.31Å; P245-M378 VanDerWaalsContact C-CE 3.44Å; P245-M378 HydrophobicContact CB-CE 3.82Å; P245-M378 WeakPolarHBondContact O-CE 3.27Å
246E96.6Very high94.8Very high2 Ų239.1 Ų39.11%0.00919%0.19CC..THydrogen-bonded Turntrans-72.5-15.2-177.2-64.984.8175.700114.3C226 G227 I244 V387 R390 F394C226-E246 VanDerWaalsContact CA-OE1 3.24Å; C226-E246 WeakPolarHBondContact CA-OE1 3.4Å; G227-E246 VanDerWaalsContact CA-OE2 3.26Å; G227-E246 WeakPolarHBondContact CA-OE2 3.43Å; G227-E246 PolarHBondContact N-OE1 3.37Å; G227-E246 VanDerWaalsContact N-OE1 3.13Å; G227-E246 PolarHBondContact N-OE2 3.47Å; I244-E246 VanDerWaalsContact C-N 3.31Å; I244-E246 PolarHBondContact O-N 3.47Å; E246-V387 HydrophobicContact CB-CG2 3.79Å; E246-V387 WeakPolarHBondContact O-CG2 3.2Å; E246-R390 HydrophobicContact CG-CG 4.32Å; E246-R390 IonicContact OE1-CZ 3.65Å; E246-R390 IonicContact OE1-NE 2.74Å; E246-R390 PolarHBondContact OE1-NE 3.23Å; E246-R390 IonicContact OE1-NH2 3.79Å; E246-R390 PolarHBondContact OE1-NH2 3.28Å; E246-F394 HydrophobicContact CB-CE1 3.83Å; E246-F394 HydrophobicContact CB-CZ 3.85Å; E246-F394 HydrophobicContact CG-CE1 4.03Å; E246-F394 HydrophobicContact CG-CZ 3.74Å
247M95.8Very high94.8Very high60 Ų6039.1 Ų39.130%0.29619%0.19SC..SBendtrans-135.972.8175.1-171.9-168.863.400109.3I244 P245 L398 I402I244-M247 HydrophobicContact CD1-CB 3.93Å; I244-M247 HydrophobicContact CG1-CB 3.9Å; I244-M247 CarbonylContact O-C 3.29Å; I244-M247 PolarHBondContact O-N 3.41Å; P245-M247 PolarHBondContact O-N 3.09Å; M247-L398 HydrophobicContact CB-CD1 4.3Å; M247-L398 HydrophobicContact CB-CD2 4.39Å; M247-L398 HydrophobicContact CE-CD1 4.09Å; M247-L398 HydrophobicContact SD-CD1 3.76Å; M247-L398 HydrophobicContact SD-CD2 4.48Å; M247-L398 HydrophobicContact SD-CG 4.39Å; M247-I402 HydrophobicContact SD-CD1 3.77Å; M247-I402 HydrophobicContact SD-CG1 4.12Å
248P96.3Very high95Very high5 Ų538.4 Ų38.43%0.03219%0.186CC..PPolyproline II helixtrans-60134.4176.6-23.737.4000109.9P245 I281 R283 F383P245-P248 VanDerWaalsContact O-CD 3.22Å; P245-P248 WeakPolarHBondContact O-CD 3.09Å; P245-P248 VanDerWaalsContact O-CG 3.26Å; P245-P248 WeakPolarHBondContact O-CG 3.45Å; P248-I281 WeakPolarHBondContact CB-O 3.12Å; P248-I281 HydrophobicContact CG-CD1 4.38Å; P248-I281 HydrophobicContact CG-CG1 4.12Å; P248-R283 HydrophobicContact CB-CG 4.02Å; P248-F383 HydrophobicContact CB-CE2 4.38Å; P248-F383 HydrophobicContact CB-CZ 4.44Å; P248-F383 HydrophobicContact CG-CD1 3.67Å; P248-F383 HydrophobicContact CG-CD2 3.92Å; P248-F383 HydrophobicContact CG-CE1 3.57Å; P248-F383 HydrophobicContact CG-CE2 3.81Å; P248-F383 HydrophobicContact CG-CG 3.86Å; P248-F383 HydrophobicContact CG-CZ 3.64Å
249P95Very high95.2Very high17 Ų1742 Ų4211%0.1120%0.202CC..PPolyproline II helixtrans-71157.2-173.137-41.3000110.3F243 W253 R283 I288F243-P249 HydrophobicContact CD1-CG 4.06Å; F243-P249 HydrophobicContact CE1-CG 3.99Å; P249-W253 HydrophobicContact CB-CB 3.59Å; P249-W253 HydrophobicContact CB-CG 4.08Å; P249-W253 HydrophobicContact CG-CB 3.98Å; P249-W253 HydrophobicContact CG-CG 3.89Å; P249-R283 WeakPolarHBondContact O-CG 3.28Å; P249-I288 HydrophobicContact CG-CD1 3.58Å
250T93.5Very high95.1Very high45 Ų4542.5 Ų42.528%0.27620%0.203SC..PPolyproline II helixtrans-65162.1176.647.90000111.5D252 W253 K256T250-D252 WeakPolarHBondContact CB-OD1 3.47Å; T250-D252 PolarHBondContact O-N 2.87Å; T250-D252 VanDerWaalsContact O-N 3.1Å; T250-D252 PolarHBondContact OG1-OD1 2.94Å; T250-W253 VanDerWaalsContact O-CB 3.22Å; T250-W253 WeakPolarHBondContact O-CB 3.42Å; T250-W253 VanDerWaalsContact O-CD1 3.28Å; T250-W253 PolarHBondContact O-N 3.41Å; T250-K256 PolarHBondContact OG1-NZ 2.76Å
251D91.4Very high95.2Very high140 Ų14042.2 Ų42.275%0.74920%0.201SC*.THydrogen-bonded Turntrans-59.2-29.2-174.6-61.2-23.1000113.4W253D251-W253 PolarHBondContact O-N 3.22Å
252D93.9Very high95Very high66 Ų6645.4 Ų45.435%0.35321%0.213SC..THydrogen-bonded Turntrans-8418.7175.868.3-20.2000114T250 R254 E255 K256T250-D252 WeakPolarHBondContact CB-OD1 3.47Å; T250-D252 PolarHBondContact O-N 2.87Å; T250-D252 VanDerWaalsContact O-N 3.1Å; T250-D252 PolarHBondContact OG1-OD1 2.94Å; D252-R254 PolarHBondContact O-N 3.38Å; D252-E255 VanDerWaalsContact C-OE2 3.29Å; D252-E255 WeakPolarHBondContact CA-OE2 3.36Å; D252-E255 PolarHBondContact O-N 2.75Å; D252-E255 VanDerWaalsContact O-OE2 3.14Å; D252-K256 WeakPolarHBondContact O-CG 3.43Å; D252-K256 PolarHBondContact O-N 3.21Å; D252-K256 WeakPolarHBondContact OD1-CE 3.49Å; D252-K256 IonicContact OD1-NZ 3.8Å; D252-K256 PolarHBondContact OD1-NZ 3.17Å; D252-K256 WeakPolarHBondContact OD2-CE 3.35Å; D252-K256 IonicContact OD2-NZ 3.49Å; D252-K256 PolarHBondContact OD2-NZ 3.26Å
253W94.7Very high94.6Very high15 Ų1547.4 Ų47.46%0.05722%0.223CC..Hα-helixtrans-61.6-28.7-178.472.6-95.5000112.9F243 P249 T250 D251 K256 L257 I292 V293 L296F243-W253 HydrophobicContact CE1-CD2 4.08Å; F243-W253 AromaticContact CE1-CE3 3.69Å; F243-W253 HydrophobicContact CE1-CE3 3.69Å; F243-W253 HydrophobicContact CE1-CH2 4.47Å; F243-W253 AromaticContact CE1-CZ3 3.92Å; F243-W253 HydrophobicContact CE1-CZ3 3.92Å; F243-W253 HydrophobicContact CZ-CD2 4.41Å; F243-W253 AromaticContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CE3 3.57Å; F243-W253 HydrophobicContact CZ-CH2 4.32Å; F243-W253 AromaticContact CZ-CZ3 3.52Å; F243-W253 HydrophobicContact CZ-CZ3 3.52Å; P249-W253 HydrophobicContact CB-CB 3.59Å; P249-W253 HydrophobicContact CB-CG 4.08Å; P249-W253 HydrophobicContact CG-CB 3.98Å; P249-W253 HydrophobicContact CG-CG 3.89Å; T250-W253 VanDerWaalsContact O-CB 3.22Å; T250-W253 WeakPolarHBondContact O-CB 3.42Å; T250-W253 VanDerWaalsContact O-CD1 3.28Å; T250-W253 PolarHBondContact O-N 3.41Å; D251-W253 PolarHBondContact O-N 3.22Å; W253-K256 PolarHBondContact O-N 3.33Å; W253-L257 HydrophobicContact CE3-CB 4.43Å; W253-L257 HydrophobicContact CE3-CD2 4.29Å; W253-L257 HydrophobicContact CZ3-CD2 3.9Å; W253-L257 VanDerWaalsContact O-CB 3.22Å; W253-L257 WeakPolarHBondContact O-CB 3.48Å; W253-L257 PolarHBondContact O-N 2.73Å; W253-I292 HydrophobicContact CH2-CG2 4.21Å; W253-I292 HydrophobicContact CZ2-CG2 4.22Å; W253-V293 HydrophobicContact CH2-CG2 4.21Å; W253-V293 HydrophobicContact CZ3-CG2 4.42Å; W253-L296 HydrophobicContact CE3-CD2 4.26Å; W253-L296 HydrophobicContact CH2-CD2 3.86Å; W253-L296 HydrophobicContact CZ3-CD2 3.51Å
254R96Very high94.2Very high136 Ų13647.7 Ų47.751%0.51322%0.224SC..Hα-helixtrans-64.7-49.8179.7-63.9-176.2175170.80.1110.3D252 C258 L296D252-R254 PolarHBondContact O-N 3.38Å; R254-C258 WeakPolarHBondContact O-CB 3.45Å; R254-C258 PolarHBondContact O-N 3.39Å; R254-C258 VanDerWaalsContact O-N 3.09Å; R254-C258 PolarHBondContact O-SG 3.38Å; R254-C258 VanDerWaalsContact O-SG 3.36Å; R254-L296 HydrophobicContact CB-CD1 3.93Å; R254-L296 HydrophobicContact CB-CD2 3.9Å; R254-L296 HydrophobicContact CG-CD1 4.2Å; R254-L296 HydrophobicContact CG-CD2 3.94Å
255E95.7Very high93.8Very high127 Ų12749.9 Ų49.959%0.59323%0.232SC*.Hα-helixtrans-64.7-43.8175.9-61.492.3169.300111.3D252 L257 C258 H259D252-E255 VanDerWaalsContact C-OE2 3.29Å; D252-E255 WeakPolarHBondContact CA-OE2 3.36Å; D252-E255 PolarHBondContact O-N 2.75Å; D252-E255 VanDerWaalsContact O-OE2 3.14Å; E255-L257 PolarHBondContact O-N 3.13Å; E255-C258 PolarHBondContact O-N 2.93Å; E255-H259 VanDerWaalsContact O-CB 3.25Å; E255-H259 WeakPolarHBondContact O-CB 3.41Å; E255-H259 PolarHBondContact O-N 2.75Å
256K94.1Very high93.3Very high86 Ų8655.9 Ų55.937%0.37426%0.26SS..Hα-helixtrans-61.3-45.2-179.8-75.7174.7170.9151.60112.7W241 T250 D252 W253 K260W241-K256 HydrophobicContact CH2-CB 3.94Å; W241-K256 HydrophobicContact CZ3-CB 4.49Å; T250-K256 PolarHBondContact OG1-NZ 2.76Å; D252-K256 WeakPolarHBondContact O-CG 3.43Å; D252-K256 PolarHBondContact O-N 3.21Å; D252-K256 WeakPolarHBondContact OD1-CE 3.49Å; D252-K256 IonicContact OD1-NZ 3.8Å; D252-K256 PolarHBondContact OD1-NZ 3.17Å; D252-K256 WeakPolarHBondContact OD2-CE 3.35Å; D252-K256 IonicContact OD2-NZ 3.49Å; D252-K256 PolarHBondContact OD2-NZ 3.26Å; W253-K256 PolarHBondContact O-N 3.33Å; K256-K260 WeakPolarHBondContact O-CB 3.44Å; K256-K260 PolarHBondContact O-N 2.88Å
257L95.1Very high92.6Very high0 Ų059.6 Ų59.60%028%0.277CS..Hα-helixtrans-61.6-51.5176.2175.762.4000110.1W241 F243 W253 E255 H259 K260 L261 I274 V293 L296 I297W241-L257 HydrophobicContact CB-CD1 3.68Å; W241-L257 HydrophobicContact CD2-CD1 3.86Å; W241-L257 HydrophobicContact CE3-CD1 3.94Å; W241-L257 HydrophobicContact CG-CD1 3.75Å; F243-L257 HydrophobicContact CE2-CD2 4.47Å; F243-L257 HydrophobicContact CZ-CD2 4.22Å; W253-L257 HydrophobicContact CE3-CB 4.43Å; W253-L257 HydrophobicContact CE3-CD2 4.29Å; W253-L257 HydrophobicContact CZ3-CD2 3.9Å; W253-L257 VanDerWaalsContact O-CB 3.22Å; W253-L257 WeakPolarHBondContact O-CB 3.48Å; W253-L257 PolarHBondContact O-N 2.73Å; E255-L257 PolarHBondContact O-N 3.13Å; L257-H259 VanDerWaalsContact C-N 3.32Å; L257-H259 PolarHBondContact O-N 3.41Å; L257-K260 PolarHBondContact O-N 3.34Å; L257-L261 HydrophobicContact CD1-CD1 3.88Å; L257-L261 HydrophobicContact CD1-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CG 3.94Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.39Å; L257-L261 WeakPolarHBondContact O-CG 3.36Å; L257-L261 PolarHBondContact O-N 3.16Å; L257-I274 HydrophobicContact CD1-CD1 4.08Å; L257-I274 HydrophobicContact CD2-CD1 4.3Å; L257-V293 HydrophobicContact CD2-CG1 4.09Å; L257-L296 HydrophobicContact CD2-CD2 4.18Å; L257-I297 HydrophobicContact CD2-CD1 4.42Å; L257-I297 HydrophobicContact CD2-CG1 4.47Å
258C95.5Very high92Very high8 Ų859.1 Ų59.15%0.05429%0.287CS..Hα-helixtrans-60.4-42.3-178.8-73.60000112.2R254 E255 R262 L301R254-C258 WeakPolarHBondContact O-CB 3.45Å; R254-C258 PolarHBondContact O-N 3.39Å; R254-C258 VanDerWaalsContact O-N 3.09Å; R254-C258 PolarHBondContact O-SG 3.38Å; R254-C258 VanDerWaalsContact O-SG 3.36Å; E255-C258 PolarHBondContact O-N 2.93Å; C258-R262 VanDerWaalsContact O-CB 3.3Å; C258-R262 WeakPolarHBondContact O-CB 3.34Å; C258-R262 PolarHBondContact O-N 3.34Å; C258-L301 HydrophobicContact CB-CD1 4.37Å; C258-L301 HydrophobicContact CB-CD2 4.15Å; C258-L301 HydrophobicContact CB-CG 4.29Å
259H93.7Very high91.5Very high104 Ų10459.8 Ų59.848%0.48129%0.29SS..Hα-helixtrans-60.9-48.4175.3177.770.3000111.5E255 L257 L261 R262 M263E255-H259 VanDerWaalsContact O-CB 3.25Å; E255-H259 WeakPolarHBondContact O-CB 3.41Å; E255-H259 PolarHBondContact O-N 2.75Å; L257-H259 VanDerWaalsContact C-N 3.32Å; L257-H259 PolarHBondContact O-N 3.41Å; H259-L261 PolarHBondContact O-N 3.07Å; H259-R262 PolarHBondContact O-N 2.94Å; H259-M263 WeakPolarHBondContact O-CG 3.36Å; H259-M263 PolarHBondContact O-N 3.45Å
260K91.7Very high91.2Very high20 Ų2062.8 Ų62.89%0.08730%0.299CS..Hα-helixtrans-60-47.6-180-166.4-175-175.9173.90112D240 W241 K256 L257 M263 N264 S405 I407D240-K260 WeakPolarHBondContact O-CD 3.32Å; D240-K260 WeakPolarHBondContact O-CE 3.46Å; D240-K260 PolarHBondContact O-NZ 3.11Å; W241-K260 HydrophobicContact CE3-CD 3.61Å; W241-K260 HydrophobicContact CZ3-CB 4.35Å; W241-K260 HydrophobicContact CZ3-CD 3.79Å; K256-K260 WeakPolarHBondContact O-CB 3.44Å; K256-K260 PolarHBondContact O-N 2.88Å; L257-K260 PolarHBondContact O-N 3.34Å; K260-M263 PolarHBondContact O-N 2.87Å; K260-N264 WeakPolarHBondContact O-CB 3.44Å; K260-N264 PolarHBondContact O-N 3.39Å; K260-S405 VanDerWaalsContact CE-O 3.23Å; K260-S405 WeakPolarHBondContact CE-O 3.5Å; K260-S405 PolarHBondContact NZ-O 3.47Å; K260-S405 VanDerWaalsContact NZ-O 3.09Å; K260-I407 HydrophobicContact CD-CD1 4.29Å; K260-I407 HydrophobicContact CG-CD1 3.4Å; K260-I407 VanDerWaalsContact CG-CD1 3.4Å; K260-I407 HydrophobicContact CG-CG1 4.45Å
261L93.6Very high91.2Very high0 Ų061.8 Ų61.80%029%0.293CS..Hα-helixtrans-63.9-41.9179.5-65.4178.4000111.5D240 L257 H259 N264 R265 N272 I274 I297 L301D240-L261 HydrophobicContact CB-CD2 3.81Å; L257-L261 HydrophobicContact CD1-CD1 3.88Å; L257-L261 HydrophobicContact CD1-CD2 4.38Å; L257-L261 HydrophobicContact CD1-CG 3.94Å; L257-L261 HydrophobicContact CG-CD1 3.99Å; L257-L261 HydrophobicContact CG-CG 4.39Å; L257-L261 WeakPolarHBondContact O-CG 3.36Å; L257-L261 PolarHBondContact O-N 3.16Å; H259-L261 PolarHBondContact O-N 3.07Å; L261-N264 PolarHBondContact O-N 2.88Å; L261-R265 WeakPolarHBondContact O-CB 3.37Å; L261-R265 WeakPolarHBondContact O-CG 3.38Å; L261-R265 PolarHBondContact O-N 3.23Å; L261-N272 HydrophobicContact CD2-CB 3.82Å; L261-I274 HydrophobicContact CD1-CD1 4.16Å; L261-I297 HydrophobicContact CD1-CD1 3.96Å; L261-I297 HydrophobicContact CD1-CG1 3.97Å; L261-L301 HydrophobicContact CB-CD1 3.69Å; L261-L301 HydrophobicContact CD1-CD1 3.89Å; L261-L301 HydrophobicContact CG-CD1 4.44Å
262R92.8Very high91.3Very high111 Ų11155.1 Ų55.142%0.41926%0.257SS..Hα-helixtrans-60.7-48.8175.8-170.7-175.1-58.9138.32.8111.4C258 H259 N264 R265 E266 L301C258-R262 VanDerWaalsContact O-CB 3.3Å; C258-R262 WeakPolarHBondContact O-CB 3.34Å; C258-R262 PolarHBondContact O-N 3.34Å; H259-R262 PolarHBondContact O-N 2.94Å; R262-N264 VanDerWaalsContact C-N 3.34Å; R262-N264 PolarHBondContact O-N 3.41Å; R262-R265 WeakPolarHBondContact O-CB 3.46Å; R262-R265 PolarHBondContact O-N 3.44Å; R262-E266 WeakPolarHBondContact CG-OE1 3.28Å; R262-E266 WeakPolarHBondContact O-CG 3.42Å; R262-E266 PolarHBondContact O-N 3.01Å; R262-L301 HydrophobicContact CB-CD2 4.31Å
263M88.9Confident91.3Very high47 Ų4752.3 Ų52.323%0.23224%0.242CC..Hα-helixtrans-56.9-47.5175.2-72.5-68.298.600111.6H259 K260 R265 E266 H267H259-M263 WeakPolarHBondContact O-CG 3.36Å; H259-M263 PolarHBondContact O-N 3.45Å; K260-M263 PolarHBondContact O-N 2.87Å; M263-R265 VanDerWaalsContact C-N 3.31Å; M263-R265 PolarHBondContact O-N 2.87Å; M263-E266 WeakPolarHBondContact CE-OE2 3.33Å; M263-E266 PolarHBondContact O-N 3.2Å; M263-H267 PolarHBondContact O-N 3.34Å; M263-H267 PolarHBondContact O-ND1 2.86Å
264N88.5Confident91.5Very high8 Ų851.6 Ų51.64%0.04324%0.24CC..Hα-helixtrans-59-43.5177.9-80.2-14.9000111.9D240 K260 L261 R262 H267 Q269 I407D240-N264 PolarHBondContact OD1-ND2 3.2Å; K260-N264 WeakPolarHBondContact O-CB 3.44Å; K260-N264 PolarHBondContact O-N 3.39Å; L261-N264 PolarHBondContact O-N 2.88Å; R262-N264 VanDerWaalsContact C-N 3.34Å; R262-N264 PolarHBondContact O-N 3.41Å; N264-H267 CarbonylContact O-C 3.55Å; N264-H267 PolarHBondContact O-N 3.4Å; N264-Q269 VanDerWaalsContact C-CB 3.48Å; N264-Q269 HydrophobicContact CB-CB 4.03Å; N264-Q269 HydrophobicContact CB-CG 4.49Å; N264-Q269 WeakPolarHBondContact O-CB 3.26Å; N264-Q269 PolarHBondContact O-N 3.45Å; N264-I407 WeakPolarHBondContact OD1-CD1 3.37Å
265R88.8Confident91.6Very high46 Ų4645.1 Ų45.117%0.17422%0.215CC..Hα-helixtrans-62.6-44.4177.3-71.2-84.2168.4165.61.1112.5Q214 R215 L261 R262 M263 H267 G268 Q269 R270 N272Q214-R265 PolarHBondContact O-NH1 3.41Å; Q214-R265 PolarHBondContact O-NH2 3.31Å; Q214-R265 VanDerWaalsContact O-NH2 3.16Å; R215-R265 PolarHBondContact O-NH2 3.4Å; L261-R265 WeakPolarHBondContact O-CB 3.37Å; L261-R265 WeakPolarHBondContact O-CG 3.38Å; L261-R265 PolarHBondContact O-N 3.23Å; R262-R265 WeakPolarHBondContact O-CB 3.46Å; R262-R265 PolarHBondContact O-N 3.44Å; M263-R265 VanDerWaalsContact C-N 3.31Å; M263-R265 PolarHBondContact O-N 2.87Å; R265-H267 VanDerWaalsContact C-N 3.27Å; R265-H267 PolarHBondContact O-N 3.29Å; R265-G268 WeakPolarHBondContact O-CA 3.33Å; R265-G268 PolarHBondContact O-N 3.14Å; R265-Q269 VanDerWaalsContact CD-O 3.26Å; R265-Q269 WeakPolarHBondContact CD-O 3.27Å; R265-R270 PolarHBondContact NH1-O 3.46Å; R265-R270 PolarHBondContact NH2-O 3.49Å; R265-N272 VanDerWaalsContact CZ-OD1 3.23Å; R265-N272 PolarHBondContact NE-OD1 2.95Å; R265-N272 PolarHBondContact NH2-OD1 3.43Å
266E86.9Confident91.7Very high130 Ų13039.2 Ų39.261%0.60719%0.188SC*.Hα-helixtrans-62.3-34.9176-72.6174.2-162.300111.8R262 M263 G268R262-E266 WeakPolarHBondContact CG-OE1 3.28Å; R262-E266 WeakPolarHBondContact O-CG 3.42Å; R262-E266 PolarHBondContact O-N 3.01Å; M263-E266 WeakPolarHBondContact CE-OE2 3.33Å; M263-E266 PolarHBondContact O-N 3.2Å; E266-G268 PolarHBondContact O-N 3.42Å; E266-G268 VanDerWaalsContact O-N 3.09Å
267H82.2Confident91.9Very high81 Ų8135.1 Ų35.138%0.37517%0.17SC..THydrogen-bonded Turntrans-79.525.1170.3-64.886.8000112.9M263 N264 R265 Q269 R474M263-H267 PolarHBondContact O-N 3.34Å; M263-H267 PolarHBondContact O-ND1 2.86Å; N264-H267 CarbonylContact O-C 3.55Å; N264-H267 PolarHBondContact O-N 3.4Å; R265-H267 VanDerWaalsContact C-N 3.27Å; R265-H267 PolarHBondContact O-N 3.29Å; H267-Q269 PolarHBondContact O-N 3.44Å; H267-R474 PolarHBondContact O-NH1 2.84Å; H267-R474 PolarHBondContact O-NH2 3.02Å
268G83.2Confident92Very high49 Ų4939 Ų3951%0.50519%0.188SC..THydrogen-bonded Turntrans75.113.3173.500000115.8R265 E266 R270 R474R265-G268 WeakPolarHBondContact O-CA 3.33Å; R265-G268 PolarHBondContact O-N 3.14Å; E266-G268 PolarHBondContact O-N 3.42Å; E266-G268 VanDerWaalsContact O-N 3.09Å; G268-R270 PolarHBondContact O-N 2.88Å; G268-R474 PolarHBondContact O-NH1 2.96Å
269Q86.8Confident92Very high19 Ų1939.3 Ų39.39%0.08919%0.192CC..  trans-71.5117.9-179.7-166.4161.8-34.400110.6D240 N264 R265 H267 V271 R474D240-Q269 PolarHBondContact OD1-NE2 3.29Å; D240-Q269 PolarHBondContact OD2-NE2 3.48Å; N264-Q269 VanDerWaalsContact C-CB 3.48Å; N264-Q269 HydrophobicContact CB-CB 4.03Å; N264-Q269 HydrophobicContact CB-CG 4.49Å; N264-Q269 WeakPolarHBondContact O-CB 3.26Å; N264-Q269 PolarHBondContact O-N 3.45Å; R265-Q269 VanDerWaalsContact CD-O 3.26Å; R265-Q269 WeakPolarHBondContact CD-O 3.27Å; H267-Q269 PolarHBondContact O-N 3.44Å; Q269-V271 WeakPolarHBondContact CG-O 3.43Å; Q269-V271 PolarHBondContact NE2-O 3.05Å; Q269-R474 VanDerWaalsContact CA-CZ 3.43Å; Q269-R474 VanDerWaalsContact CA-NH1 3.31Å; Q269-R474 VanDerWaalsContact CB-CZ 3.45Å; Q269-R474 VanDerWaalsContact N-NH1 3.13Å
270R89.1Confident92.2Very high81 Ų8134.5 Ų34.531%0.30617%0.171SC..  trans-83.3-31-179.8-64175.558.3803.9112.9H211 S212 Q214 R265 G268H211-R270 WeakPolarHBondContact NE2-CD 3.31Å; H211-R270 PolarHBondContact O-NE 2.87Å; H211-R270 PolarHBondContact O-NH2 3.17Å; S212-R270 PolarHBondContact O-NH2 3.4Å; Q214-R270 CarbonylContact C-O 3.52Å; Q214-R270 WeakPolarHBondContact CA-O 3.27Å; Q214-R270 VanDerWaalsContact CD-NH1 3.28Å; Q214-R270 HydrophobicContact CG-CB 4.32Å; Q214-R270 HydrophobicContact CG-CG 4.42Å; Q214-R270 VanDerWaalsContact CG-NH2 3.25Å; R265-R270 PolarHBondContact NH1-O 3.46Å; R265-R270 PolarHBondContact NH2-O 3.49Å; G268-R270 PolarHBondContact O-N 2.88Å
271V91.7Very high92.5Very high24 Ų2434.9 Ų34.915%0.14517%0.173CC..  trans-113.8131.6-174.1179.70000109.7A210 H211 Q269 I273A210-V271 HydrophobicContact CB-CB 4.34Å; A210-V271 HydrophobicContact CB-CG1 3.61Å; A210-V271 HydrophobicContact CB-CG2 3.93Å; H211-V271 HydrophobicContact CB-CG2 3.61Å; Q269-V271 WeakPolarHBondContact CG-O 3.43Å; Q269-V271 PolarHBondContact NE2-O 3.05Å; V271-I273 HydrophobicContact CG1-CD1 3.78Å; V271-I273 HydrophobicContact CG1-CG1 3.95Å
272N94Very high92.6Very high0 Ų036.8 Ų36.80%018%0.184CC..EExtended strand (participates in β ladder)trans-115135.5162.2-58.5106.7000110.8R215 C216 F217 D240 L261 R265R215-N272 PolarHBondContact O-N 3.11Å; R215-N272 VanDerWaalsContact O-N 3.15Å; C216-N272 CarbonylContact C-O 3.52Å; C216-N272 WeakPolarHBondContact CA-O 3.38Å; C216-N272 HydrophobicContact CB-CB 4.21Å; F217-N272 PolarHBondContact N-O 3.34Å; D240-N272 PolarHBondContact OD1-ND2 3.25Å; D240-N272 WeakPolarHBondContact OD2-CA 3.49Å; L261-N272 HydrophobicContact CD2-CB 3.82Å; R265-N272 VanDerWaalsContact CZ-OD1 3.23Å; R265-N272 PolarHBondContact NE-OD1 2.95Å; R265-N272 PolarHBondContact NH2-OD1 3.43Å
273I95.1Very high92.6Very high7 Ų737.7 Ų37.74%0.03619%0.187CC..EExtended strand (participates in β ladder)trans-118.7125.1175.3-58.1-59.1000108.4T203 F217 L219 A239 D240 V271 M275T203-I273 HydrophobicContact CG2-CG2 4.33Å; F217-I273 HydrophobicContact CB-CD1 4Å; F217-I273 WeakPolarHBondContact O-CA 3.43Å; L219-I273 HydrophobicContact CD1-CG2 3.72Å; A239-I273 CarbonylContact C-O 3.42Å; A239-I273 HydrophobicContact CB-CG2 4.3Å; D240-I273 PolarHBondContact N-O 3.05Å; D240-I273 PolarHBondContact OD2-N 3.37Å; V271-I273 HydrophobicContact CG1-CD1 3.78Å; V271-I273 HydrophobicContact CG1-CG1 3.95Å; I273-M275 HydrophobicContact CG2-CE 3.98Å
274I97.4Very high92.7Very high0 Ų038.8 Ų38.80%020%0.203CC..EExtended strand (participates in β ladder)trans-118.4123.8174.1-60.1173.3000107.8F217 I218 L219 W241 F243 L257 L261 V276 V293 I297F217-I274 PolarHBondContact O-N 3.2Å; I218-I274 CarbonylContact C-O 3.59Å; I218-I274 WeakPolarHBondContact CA-O 3.25Å; I218-I274 HydrophobicContact CG1-CB 4.23Å; I218-I274 HydrophobicContact CG1-CD1 4.35Å; L219-I274 PolarHBondContact N-O 3.24Å; W241-I274 HydrophobicContact CB-CG1 4.36Å; W241-I274 HydrophobicContact CB-CG2 4.29Å; W241-I274 WeakPolarHBondContact O-CA 3.44Å; F243-I274 HydrophobicContact CD2-CG2 4Å; F243-I274 HydrophobicContact CE2-CG2 3.83Å; L257-I274 HydrophobicContact CD1-CD1 4.08Å; L257-I274 HydrophobicContact CD2-CD1 4.3Å; L261-I274 HydrophobicContact CD1-CD1 4.16Å; I274-V276 HydrophobicContact CG2-CG2 4.19Å; I274-V293 HydrophobicContact CD1-CG1 4.04Å; I274-V293 HydrophobicContact CG2-CG1 4.25Å; I274-I297 HydrophobicContact CD1-CD1 3.21Å
275M97.8Very high92.9Very high0 Ų040.8 Ų40.80%022%0.217CC..EExtended strand (participates in β ladder)trans-95.7130.5176.5-69.4-67.8-176.500109.5I199 T203 L219 V221 A233 S234 C237 A239 W241 V242 F243 I273I199-M275 HydrophobicContact CG2-CE 4.49Å; T203-M275 HydrophobicContact CG2-CE 3.82Å; T203-M275 WeakPolarHBondContact OG1-CE 3.36Å; L219-M275 HydrophobicContact CB-CE 4.46Å; L219-M275 HydrophobicContact CB-SD 3.66Å; L219-M275 HydrophobicContact CD1-CE 3.5Å; L219-M275 HydrophobicContact CD1-SD 3.84Å; L219-M275 HydrophobicContact CG-SD 4.35Å; V221-M275 HydrophobicContact CG2-SD 3.78Å; A233-M275 HydrophobicContact CB-CE 4.44Å; S234-M275 VanDerWaalsContact OG-CB 3.28Å; S234-M275 WeakPolarHBondContact OG-CB 3.34Å; S234-M275 VanDerWaalsContact OG-CG 3.29Å; S234-M275 WeakPolarHBondContact OG-CG 3.4Å; C237-M275 WeakPolarHBondContact SG-CE 3.45Å; A239-M275 HydrophobicContact CB-CG 3.8Å; W241-M275 PolarHBondContact O-N 2.91Å; V242-M275 CarbonylContact C-O 3.58Å; V242-M275 VanDerWaalsContact CA-O 3.27Å; V242-M275 WeakPolarHBondContact CA-O 3.44Å; V242-M275 HydrophobicContact CB-CB 4.39Å; V242-M275 HydrophobicContact CG2-CB 3.88Å; F243-M275 PolarHBondContact N-O 2.94Å; I273-M275 HydrophobicContact CG2-CE 3.98Å
276V98.4Very high93.2Very high2 Ų245 Ų451%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-125.1114.1177.4-175.80000107.6I218 L219 E220 V221 F243 I274 A280I218-V276 HydrophobicContact CG2-CG2 3.58Å; L219-V276 PolarHBondContact O-N 3.1Å; E220-V276 WeakPolarHBondContact CA-O 3.47Å; V221-V276 PolarHBondContact N-O 3.44Å; F243-V276 HydrophobicContact CB-CG1 4.35Å; F243-V276 HydrophobicContact CD2-CG2 3.97Å; I274-V276 HydrophobicContact CG2-CG2 4.19Å; V276-A280 HydrophobicContact CG1-CB 3.96Å
277A98.5Very high93.6Very high1 Ų143.3 Ų43.31%0.00824%0.237CC..EExtended strand (participates in β ladder)trans-65.3142.217000000109.6A230 F243 G279 A280A230-A277 HydrophobicContact CB-CB 3.87Å; F243-A277 WeakPolarHBondContact O-CB 3.32Å; F243-A277 PolarHBondContact O-N 3.43Å; A277-G279 PolarHBondContact O-N 3.27Å; A277-G279 VanDerWaalsContact O-N 3.07Å; A277-A280 WeakPolarHBondContact O-CB 3.37Å; A277-A280 PolarHBondContact O-N 3.46Å
278E96.9Very high94.3Very high81 Ų8139.9 Ų39.938%0.37922%0.222SC..THydrogen-bonded Turntrans-58.3-25.8178.969.7-175.7159.900113.1V221 G223 R224V221-E278 PolarHBondContact O-N 3.07Å; G223-E278 PolarHBondContact N-OE1 3.23Å; R224-E278 VanDerWaalsContact CA-OE1 3.26Å; R224-E278 WeakPolarHBondContact CA-OE1 3.23Å; R224-E278 PolarHBondContact N-OE1 2.93Å
279G96.5Very high95Very high14 Ų1440.8 Ų40.814%0.14422%0.217CC..THydrogen-bonded Turntrans-91.210.7174.900000115.6R224 P245 A277 I281R224-G279 VanDerWaalsContact O-CA 3.22Å; R224-G279 WeakPolarHBondContact O-CA 3.47Å; R224-G279 PolarHBondContact O-N 2.71Å; P245-G279 WeakPolarHBondContact CB-O 3.43Å; A277-G279 PolarHBondContact O-N 3.27Å; A277-G279 VanDerWaalsContact O-N 3.07Å; G279-I281 PolarHBondContact O-N 3.41Å
280A97.7Very high95.5Very high3 Ų340 Ų403%0.02521%0.214CC..  trans-59.9133.8-17500000113.1F243 V276 A277 P287 I288F243-A280 HydrophobicContact CB-CB 3.82Å; V276-A280 HydrophobicContact CG1-CB 3.96Å; A277-A280 WeakPolarHBondContact O-CB 3.37Å; A277-A280 PolarHBondContact O-N 3.46Å; A280-P287 WeakPolarHBondContact O-CA 3.34Å; A280-I288 HydrophobicContact CB-CB 4.39Å; A280-I288 PolarHBondContact O-N 2.97Å
281I96.9Very high95.9Very high28 Ų2840 Ų4014%0.14422%0.218CC..BIsolated β-bridgetrans-136.1160.6-179.154.8170.1000111.4P245 P248 G279 K286 I288 M378 F383P245-I281 HydrophobicContact CB-CG1 4.31Å; P248-I281 WeakPolarHBondContact CB-O 3.12Å; P248-I281 HydrophobicContact CG-CD1 4.38Å; P248-I281 HydrophobicContact CG-CG1 4.12Å; G279-I281 PolarHBondContact O-N 3.41Å; I281-K286 CarbonylContact C-O 3.58Å; I281-K286 VanDerWaalsContact CA-O 3.24Å; I281-K286 WeakPolarHBondContact CA-O 3.29Å; I281-I288 WeakPolarHBondContact O-CD1 3.24Å; I281-M378 HydrophobicContact CD1-CE 3.91Å; I281-F383 HydrophobicContact CD1-CE1 4.17Å
282D95.3Very high96.2Very high40 Ų4042 Ų4221%0.21423%0.227CC..  trans-87.7177.3165.672.313.7000111.8A284 C285 K286 I288D282-A284 PolarHBondContact O-N 3.04Å; D282-A284 VanDerWaalsContact OD1-C 3.23Å; D282-A284 VanDerWaalsContact OD1-CA 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.02Å; D282-A284 WeakPolarHBondContact OD1-CB 3.34Å; D282-A284 PolarHBondContact OD1-N 3.49Å; D282-C285 PolarHBondContact O-N 3.31Å; D282-C285 PolarHBondContact OD1-N 2.92Å; D282-C285 VanDerWaalsContact OD1-N 3.11Å; D282-K286 PolarHBondContact N-O 3.38Å; D282-K286 PolarHBondContact OD1-N 2.98Å; D282-I288 HydrophobicContact CB-CD1 4.03Å; D282-I288 HydrophobicContact CB-CG1 4.17Å
283R93.6Very high96.3Very high131 Ų13142 Ų4249%0.49423%0.227SC..THydrogen-bonded Turntrans-65.4-15.8179.3-73.8-178.4172.6-135.8-6.3114.2P248 P249 C285 F383P248-R283 HydrophobicContact CB-CG 4.02Å; P249-R283 WeakPolarHBondContact O-CG 3.28Å; R283-C285 VanDerWaalsContact C-N 3.3Å; R283-F383 HydrophobicContact CG-CE2 4.42Å
284A91.7Very high96.5Very high69 Ų6944.4 Ų44.457%0.5724%0.237SC*.THydrogen-bonded Turntrans-94.314.117300000112.1D282 K286D282-A284 PolarHBondContact O-N 3.04Å; D282-A284 VanDerWaalsContact OD1-C 3.23Å; D282-A284 VanDerWaalsContact OD1-CA 3.29Å; D282-A284 WeakPolarHBondContact OD1-CA 3.02Å; D282-A284 WeakPolarHBondContact OD1-CB 3.34Å; D282-A284 PolarHBondContact OD1-N 3.49Å; A284-K286 PolarHBondContact O-N 2.77Å
285C91.6Very high96.5Very high50 Ų5048.5 Ų48.534%0.33826%0.259SS..SBendtrans59.124.3-177.7-67.20000114.2D282 R283 C381D282-C285 PolarHBondContact O-N 3.31Å; D282-C285 PolarHBondContact OD1-N 2.92Å; D282-C285 VanDerWaalsContact OD1-N 3.11Å; R283-C285 VanDerWaalsContact C-N 3.3Å; C285-C381 PolarHBondContact SG-SG 3.01Å
286K94.9Very high96.5Very high135 Ų13549.3 Ų49.359%0.58726%0.263SS*.  trans-87.4138171.7-63.2-179.5179.9175.70109.9I281 D282 A284 I288I281-K286 CarbonylContact C-O 3.58Å; I281-K286 VanDerWaalsContact CA-O 3.24Å; I281-K286 WeakPolarHBondContact CA-O 3.29Å; D282-K286 PolarHBondContact N-O 3.38Å; D282-K286 PolarHBondContact OD1-N 2.98Å; A284-K286 PolarHBondContact O-N 2.77Å; K286-I288 PolarHBondContact O-N 3.11Å
287P96.8Very high96.4Very high94 Ų9449.2 Ų49.261%0.6126%0.263SS*.BIsolated β-bridgetrans-59.4133.3178.4-24.533.8000112.9A280 T289A280-P287 WeakPolarHBondContact O-CA 3.34Å; P287-T289 HydrophobicContact CB-CG2 4.46Å
288I97.1Very high96.3Very high10 Ų1052.2 Ų52.25%0.05128%0.281CS..  trans-97.3101.8167.4-61.2177.3000107.5F243 P249 A280 I281 D282 K286 V293F243-I288 HydrophobicContact CD1-CD1 3.83Å; F243-I288 HydrophobicContact CD1-CG2 3.93Å; F243-I288 HydrophobicContact CE1-CD1 4.11Å; F243-I288 HydrophobicContact CE1-CG2 4.11Å; F243-I288 HydrophobicContact CG-CG2 4.34Å; P249-I288 HydrophobicContact CG-CD1 3.58Å; A280-I288 HydrophobicContact CB-CB 4.39Å; A280-I288 PolarHBondContact O-N 2.97Å; I281-I288 WeakPolarHBondContact O-CD1 3.24Å; D282-I288 HydrophobicContact CB-CD1 4.03Å; D282-I288 HydrophobicContact CB-CG1 4.17Å; K286-I288 PolarHBondContact O-N 3.11Å; I288-V293 HydrophobicContact CG2-CG2 3.84Å
289T97Very high96.3Very high67 Ų6752 Ų5241%0.41129%0.288SS..  trans-88.1156.6-179.369.50000111.9P287 E291 I292 V293P287-T289 HydrophobicContact CB-CG2 4.46Å; T289-E291 PolarHBondContact O-N 3.17Å; T289-I292 PolarHBondContact O-N 3.13Å; T289-I292 VanDerWaalsContact O-N 3.11Å; T289-I292 WeakPolarHBondContact OG1-CG1 3.38Å; T289-I292 PolarHBondContact OG1-N 3.33Å; T289-V293 PolarHBondContact O-N 2.88Å
290C97.5Very high96.2Very high4 Ų457 Ų573%0.02731%0.308CS..Hα-helixtrans-55.4-33.7174.2-65.40000112.8I218 E220 V293 K294 I307I218-C290 HydrophobicContact CG2-CB 3.91Å; E220-C290 PolarHBondContact OE2-SG 3.28Å; C290-V293 PolarHBondContact O-N 3.04Å; C290-K294 WeakPolarHBondContact O-CB 3.34Å; C290-K294 PolarHBondContact O-N 3.37Å; C290-I307 HydrophobicContact CB-CD1 3.8Å; C290-I307 HydrophobicContact CB-CG1 3.99Å; C290-I307 HydrophobicContact CB-CG2 3.73Å
291E97.9Very high96Very high81 Ų8158.1 Ų58.138%0.37931%0.313SS..Hα-helixtrans-70.4-36.6179.3-163.362.8-157.800112.3T289 V293 K294 N295 I307T289-E291 PolarHBondContact O-N 3.17Å; E291-V293 VanDerWaalsContact C-N 3.34Å; E291-V293 PolarHBondContact O-N 3.26Å; E291-K294 PolarHBondContact O-N 3.15Å; E291-K294 IonicContact OE1-NZ 3.05Å; E291-K294 PolarHBondContact OE1-NZ 2.54Å; E291-K294 IonicContact OE2-NZ 3.85Å; E291-K294 PolarHBondContact OE2-NZ 2.95Å; E291-N295 WeakPolarHBondContact O-CB 3.43Å; E291-N295 PolarHBondContact O-N 2.82Å; E291-N295 PolarHBondContact O-ND2 2.91Å; E291-N295 PolarHBondContact OE1-OD1 2.89Å; E291-I307 HydrophobicContact CB-CD1 4.47Å; E291-I307 WeakPolarHBondContact OE2-CD1 3.33Å
292I97Very high95.8Very high66 Ų6665 Ų6534%0.33835%0.345SS..Hα-helixtrans-60.5-47.1173.9-68.6169000110W253 T289 L296W253-I292 HydrophobicContact CH2-CG2 4.21Å; W253-I292 HydrophobicContact CZ2-CG2 4.22Å; T289-I292 PolarHBondContact O-N 3.13Å; T289-I292 VanDerWaalsContact O-N 3.11Å; T289-I292 WeakPolarHBondContact OG1-CG1 3.38Å; T289-I292 PolarHBondContact OG1-N 3.33Å; I292-L296 PolarHBondContact O-N 2.98Å; I292-L296 VanDerWaalsContact O-N 3.15Å
293V97.4Very high95.7Very high0 Ų064.6 Ų64.60%034%0.342CS..Hα-helixtrans-65.3-43.3179.9-1800000111.1I218 F243 W253 L257 I274 I288 T289 C290 E291 L296 I297I218-V293 HydrophobicContact CD1-CB 4.03Å; I218-V293 HydrophobicContact CD1-CG1 3.78Å; I218-V293 HydrophobicContact CG1-CG1 4.21Å; F243-V293 HydrophobicContact CD2-CG2 4.37Å; F243-V293 HydrophobicContact CE2-CG1 4.21Å; F243-V293 HydrophobicContact CE2-CG2 3.85Å; F243-V293 HydrophobicContact CZ-CG2 4.07Å; W253-V293 HydrophobicContact CH2-CG2 4.21Å; W253-V293 HydrophobicContact CZ3-CG2 4.42Å; L257-V293 HydrophobicContact CD2-CG1 4.09Å; I274-V293 HydrophobicContact CD1-CG1 4.04Å; I274-V293 HydrophobicContact CG2-CG1 4.25Å; I288-V293 HydrophobicContact CG2-CG2 3.84Å; T289-V293 PolarHBondContact O-N 2.88Å; C290-V293 PolarHBondContact O-N 3.04Å; E291-V293 VanDerWaalsContact C-N 3.34Å; E291-V293 PolarHBondContact O-N 3.26Å; V293-L296 PolarHBondContact O-N 2.78Å; V293-I297 HydrophobicContact CG1-CD1 3.85Å; V293-I297 WeakPolarHBondContact O-CG1 3.4Å; V293-I297 PolarHBondContact O-N 2.57Å; V293-I297 VanDerWaalsContact O-N 3.12Å
294K98Very high95.8Very high57 Ų5761.2 Ų61.225%0.24833%0.334CS..Hα-helixtrans-60.1-50176.7177.1-174.2153.8-145.50111.8I218 C290 E291 L296 I297 V298 T305 I307I218-K294 VanDerWaalsContact CD1-CA 3.44Å; I218-K294 HydrophobicContact CD1-CB 3.64Å; I218-K294 VanDerWaalsContact CD1-N 3.32Å; C290-K294 WeakPolarHBondContact O-CB 3.34Å; C290-K294 PolarHBondContact O-N 3.37Å; E291-K294 PolarHBondContact O-N 3.15Å; E291-K294 IonicContact OE1-NZ 3.05Å; E291-K294 PolarHBondContact OE1-NZ 2.54Å; E291-K294 IonicContact OE2-NZ 3.85Å; E291-K294 PolarHBondContact OE2-NZ 2.95Å; K294-L296 VanDerWaalsContact C-N 3.29Å; K294-L296 PolarHBondContact O-N 3.37Å; K294-I297 PolarHBondContact O-N 2.85Å; K294-V298 HydrophobicContact CG-CG2 4.35Å; K294-V298 WeakPolarHBondContact O-CG2 3.4Å; K294-V298 PolarHBondContact O-N 3.24Å; K294-T305 HydrophobicContact CB-CG2 4.36Å; K294-T305 HydrophobicContact CG-CG2 4.07Å; K294-I307 HydrophobicContact CB-CD1 3.97Å; K294-I307 HydrophobicContact CB-CG1 4.2Å; K294-I307 HydrophobicContact CD-CD1 3.56Å; K294-I307 HydrophobicContact CD-CG1 3.89Å; K294-I307 HydrophobicContact CG-CD1 4.4Å
295N97.7Very high96Very high85 Ų8558 Ų5846%0.45531%0.307SS..Hα-helixtrans-60.1-42.4-177.8-73.6-20.8000111.3E291 V298 S299E291-N295 WeakPolarHBondContact O-CB 3.43Å; E291-N295 PolarHBondContact O-N 2.82Å; E291-N295 PolarHBondContact O-ND2 2.91Å; E291-N295 PolarHBondContact OE1-OD1 2.89Å; N295-V298 PolarHBondContact O-N 2.69Å; N295-S299 WeakPolarHBondContact O-CB 3.19Å; N295-S299 PolarHBondContact O-N 3.1Å; N295-S299 PolarHBondContact O-OG 3.01Å; N295-S299 VanDerWaalsContact O-OG 3.07Å
296L97.1Very high96.3Very high18 Ų1860.7 Ų60.79%0.09431%0.31CS..Hα-helixtrans-57.7-50174.4175.471.8000112.1W253 R254 L257 I292 V293 K294 V298 S299 E300W253-L296 HydrophobicContact CE3-CD2 4.26Å; W253-L296 HydrophobicContact CH2-CD2 3.86Å; W253-L296 HydrophobicContact CZ3-CD2 3.51Å; R254-L296 HydrophobicContact CB-CD1 3.93Å; R254-L296 HydrophobicContact CB-CD2 3.9Å; R254-L296 HydrophobicContact CG-CD1 4.2Å; R254-L296 HydrophobicContact CG-CD2 3.94Å; L257-L296 HydrophobicContact CD2-CD2 4.18Å; I292-L296 PolarHBondContact O-N 2.98Å; I292-L296 VanDerWaalsContact O-N 3.15Å; V293-L296 PolarHBondContact O-N 2.78Å; K294-L296 VanDerWaalsContact C-N 3.29Å; K294-L296 PolarHBondContact O-N 3.37Å; L296-V298 VanDerWaalsContact C-N 3.34Å; L296-V298 PolarHBondContact O-N 3.36Å; L296-S299 PolarHBondContact O-N 3.16Å; L296-S299 PolarHBondContact O-OG 3.23Å; L296-E300 HydrophobicContact CD1-CG 3.7Å; L296-E300 HydrophobicContact CG-CG 4.49Å; L296-E300 VanDerWaalsContact O-CB 3.3Å; L296-E300 WeakPolarHBondContact O-CB 3.41Å; L296-E300 WeakPolarHBondContact O-CG 3.44Å; L296-E300 PolarHBondContact O-N 3.33Å
297I96.9Very high96.4Very high0 Ų056.6 Ų56.60%029%0.294CS..Hα-helixtrans-66.7-39.5-176.4-66.5165.8000111.1I218 L257 L261 I274 V293 K294 L301 Q302 L303 T305I218-I297 HydrophobicContact CD1-CD1 4.3Å; L257-I297 HydrophobicContact CD2-CD1 4.42Å; L257-I297 HydrophobicContact CD2-CG1 4.47Å; L261-I297 HydrophobicContact CD1-CD1 3.96Å; L261-I297 HydrophobicContact CD1-CG1 3.97Å; I274-I297 HydrophobicContact CD1-CD1 3.21Å; V293-I297 HydrophobicContact CG1-CD1 3.85Å; V293-I297 WeakPolarHBondContact O-CG1 3.4Å; V293-I297 PolarHBondContact O-N 2.57Å; V293-I297 VanDerWaalsContact O-N 3.12Å; K294-I297 PolarHBondContact O-N 2.85Å; I297-L301 HydrophobicContact CG2-CD1 4.45Å; I297-L301 WeakPolarHBondContact O-CA 3.43Å; I297-L301 WeakPolarHBondContact O-CB 3.37Å; I297-L301 PolarHBondContact O-N 3.37Å; I297-Q302 PolarHBondContact O-N 2.98Å; I297-L303 HydrophobicContact CG2-CB 3.92Å; I297-L303 HydrophobicContact CG2-CD1 4.17Å; I297-L303 HydrophobicContact CG2-CG 4.48Å; I297-T305 VanDerWaalsContact CG2-OG1 3.24Å; I297-T305 WeakPolarHBondContact CG2-OG1 3.3Å
298V96.7Very high96.5Very high64 Ų6454.1 Ų54.139%0.38828%0.278SS..Hα-helixtrans-67.9-44177.7173.40000111K294 N295 L296 Q302K294-V298 HydrophobicContact CG-CG2 4.35Å; K294-V298 WeakPolarHBondContact O-CG2 3.4Å; K294-V298 PolarHBondContact O-N 3.24Å; N295-V298 PolarHBondContact O-N 2.69Å; L296-V298 VanDerWaalsContact C-N 3.34Å; L296-V298 PolarHBondContact O-N 3.36Å; V298-Q302 VanDerWaalsContact O-CA 3.26Å; V298-Q302 WeakPolarHBondContact O-CA 3.41Å; V298-Q302 PolarHBondContact O-N 3.39Å; V298-Q302 VanDerWaalsContact O-N 3.15Å
299S96Very high96.5Very high76 Ų7657.6 Ų57.653%0.53130%0.299SS..Hα-helixtrans-71.1-45.3-178.366.30000112.7N295 L296N295-S299 WeakPolarHBondContact O-CB 3.19Å; N295-S299 PolarHBondContact O-N 3.1Å; N295-S299 PolarHBondContact O-OG 3.01Å; N295-S299 VanDerWaalsContact O-OG 3.07Å; L296-S299 PolarHBondContact O-N 3.16Å; L296-S299 PolarHBondContact O-OG 3.23Å
300E95.6Very high96.5Very high119 Ų11955.2 Ų55.256%0.55628%0.284SS*.Hα-helixtrans-88.5-31.1-171.7-62.8-57.4136.800113.9L296L296-E300 HydrophobicContact CD1-CG 3.7Å; L296-E300 HydrophobicContact CG-CG 4.49Å; L296-E300 VanDerWaalsContact O-CB 3.3Å; L296-E300 WeakPolarHBondContact O-CB 3.41Å; L296-E300 WeakPolarHBondContact O-CG 3.44Å; L296-E300 PolarHBondContact O-N 3.33Å
301L93.7Very high96.4Very high27 Ų2755.9 Ų55.914%0.14129%0.291CS..Hα-helixtrans-116.7-9.5-175.5-57.9178.9000113.9C258 L261 R262 I297 L303C258-L301 HydrophobicContact CB-CD1 4.37Å; C258-L301 HydrophobicContact CB-CD2 4.15Å; C258-L301 HydrophobicContact CB-CG 4.29Å; L261-L301 HydrophobicContact CB-CD1 3.69Å; L261-L301 HydrophobicContact CD1-CD1 3.89Å; L261-L301 HydrophobicContact CG-CD1 4.44Å; R262-L301 HydrophobicContact CB-CD2 4.31Å; I297-L301 HydrophobicContact CG2-CD1 4.45Å; I297-L301 WeakPolarHBondContact O-CA 3.43Å; I297-L301 WeakPolarHBondContact O-CB 3.37Å; I297-L301 PolarHBondContact O-N 3.37Å; L301-L303 HydrophobicContact CB-CD1 4.04Å; L301-L303 HydrophobicContact CB-CG 3.83Å; L301-L303 HydrophobicContact CD1-CD1 3.95Å; L301-L303 PolarHBondContact O-N 3.11Å; L301-L303 VanDerWaalsContact O-N 3.09Å
302Q93.2Very high96.3Very high173 Ų17358.7 Ų58.781%0.80830%0.304SS*.  trans5428.6-178.1-57.3176.94.900113.3I297 V298I297-Q302 PolarHBondContact O-N 2.98Å; V298-Q302 VanDerWaalsContact O-CA 3.26Å; V298-Q302 WeakPolarHBondContact O-CA 3.41Å; V298-Q302 PolarHBondContact O-N 3.39Å; V298-Q302 VanDerWaalsContact O-N 3.15Å
303L92.6Very high96.3Very high30 Ų3059.5 Ų59.516%0.15731%0.312CS..  trans-84136.2177.8-63.4176.9000110.7I297 L301 T305I297-L303 HydrophobicContact CG2-CB 3.92Å; I297-L303 HydrophobicContact CG2-CD1 4.17Å; I297-L303 HydrophobicContact CG2-CG 4.48Å; L301-L303 HydrophobicContact CB-CD1 4.04Å; L301-L303 HydrophobicContact CB-CG 3.83Å; L301-L303 HydrophobicContact CD1-CD1 3.95Å; L301-L303 PolarHBondContact O-N 3.11Å; L301-L303 VanDerWaalsContact O-N 3.09Å; L303-T305 PolarHBondContact O-N 3.17Å; L303-T305 PolarHBondContact O-OG1 3.5Å
304D94.6Very high96.3Very high61 Ų6159.6 Ų59.633%0.32631%0.312SS..  trans-65.4104.2173.7-170.722.8000110R215 C216 R306R215-D304 WeakPolarHBondContact CA-O 3.38Å; R215-D304 WeakPolarHBondContact CB-O 3.17Å; R215-D304 HydrophobicContact CG-CB 4.1Å; R215-D304 IonicContact CZ-OD2 3.29Å; R215-D304 IonicContact NE-OD2 3.7Å; R215-D304 PolarHBondContact NE-OD2 3.09Å; R215-D304 IonicContact NH2-OD2 2.78Å; R215-D304 PolarHBondContact NH2-OD2 2.94Å; C216-D304 PolarHBondContact N-O 3.38Å; D304-R306 IonicContact OD1-CZ 3.94Å; D304-R306 IonicContact OD1-NH1 2.7Å; D304-R306 PolarHBondContact OD1-NH1 3.33Å; D304-R306 IonicContact OD1-NH2 2.79Å; D304-R306 PolarHBondContact OD1-NH2 2.99Å; D304-R306 IonicContact OD2-NH2 2.7Å; D304-R306 PolarHBondContact OD2-NH2 2.74Å
305T96.7Very high96.1Very high1 Ų158.4 Ų58.41%0.00631%0.306CS..EExtended strand (participates in β ladder)trans-115.6134.3-168.5-550000111.6C216 I218 K294 I297 L303C216-T305 HydrophobicContact CB-CG2 4.1Å; C216-T305 CarbonylContact O-C 3.6Å; C216-T305 VanDerWaalsContact O-CA 3.27Å; C216-T305 WeakPolarHBondContact O-CA 3.3Å; I218-T305 HydrophobicContact CD1-CG2 3.6Å; I218-T305 HydrophobicContact CG1-CG2 4.03Å; K294-T305 HydrophobicContact CB-CG2 4.36Å; K294-T305 HydrophobicContact CG-CG2 4.07Å; I297-T305 VanDerWaalsContact CG2-OG1 3.24Å; I297-T305 WeakPolarHBondContact CG2-OG1 3.3Å; L303-T305 PolarHBondContact O-N 3.17Å; L303-T305 PolarHBondContact O-OG1 3.5Å
306R97.4Very high95.9Very high106 Ų10655.8 Ų55.840%0.430%0.3SS..EExtended strand (participates in β ladder)trans-126.2144178.4-65.1-66.7176.2-79-11.6111C216 F217 I218 D304C216-R306 PolarHBondContact O-N 2.89Å; F217-R306 WeakPolarHBondContact CA-O 3.43Å; F217-R306 HydrophobicContact CD1-CB 3.88Å; F217-R306 HydrophobicContact CE1-CB 3.69Å; F217-R306 HydrophobicContact CE1-CG 4.34Å; F217-R306 HydrophobicContact CZ-CB 4.21Å; F217-R306 HydrophobicContact CZ-CG 4.43Å; I218-R306 PolarHBondContact N-O 2.92Å; D304-R306 IonicContact OD1-CZ 3.94Å; D304-R306 IonicContact OD1-NH1 2.7Å; D304-R306 PolarHBondContact OD1-NH1 3.33Å; D304-R306 IonicContact OD1-NH2 2.79Å; D304-R306 PolarHBondContact OD1-NH2 2.99Å; D304-R306 IonicContact OD2-NH2 2.7Å; D304-R306 PolarHBondContact OD2-NH2 2.74Å
307I98Very high95.8Very high49 Ų4956.9 Ų56.925%0.25132%0.315SS..EExtended strand (participates in β ladder)trans-98.5140172.1-63.6166.2000107.9I218 C290 E291 K294 V309I218-I307 HydrophobicContact CB-CG1 4.27Å; I218-I307 HydrophobicContact CD1-CG1 4.37Å; I218-I307 CarbonylContact O-C 3.5Å; I218-I307 WeakPolarHBondContact O-CA 3.23Å; C290-I307 HydrophobicContact CB-CD1 3.8Å; C290-I307 HydrophobicContact CB-CG1 3.99Å; C290-I307 HydrophobicContact CB-CG2 3.73Å; E291-I307 HydrophobicContact CB-CD1 4.47Å; E291-I307 WeakPolarHBondContact OE2-CD1 3.33Å; K294-I307 HydrophobicContact CB-CD1 3.97Å; K294-I307 HydrophobicContact CB-CG1 4.2Å; K294-I307 HydrophobicContact CD-CD1 3.56Å; K294-I307 HydrophobicContact CD-CG1 3.89Å; K294-I307 HydrophobicContact CG-CD1 4.4Å; I307-V309 HydrophobicContact CG2-CG2 4.18Å
308T97.8Very high95.7Very high43 Ų4360.2 Ų60.226%0.26434%0.338SS..EExtended strand (participates in β ladder)trans-133.9114.6168.1-59.60000108.7I206 I218 L219 E220 L310I206-T308 HydrophobicContact CD1-CG2 3.83Å; I218-T308 PolarHBondContact O-N 3.14Å; L219-T308 WeakPolarHBondContact CA-O 3.36Å; L219-T308 HydrophobicContact CD2-CG2 4.41Å; E220-T308 PolarHBondContact N-O 3.22Å; T308-L310 HydrophobicContact CG2-CD2 4.18Å
309V97.7Very high95.8Very high83 Ų8357.3 Ų57.350%0.50332%0.321SS..EExtended strand (participates in β ladder)trans-89.4110.2172.9-178.60000107.2E220 I307 G311E220-V309 HydrophobicContact CB-CB 4.27Å; E220-V309 HydrophobicContact CB-CG1 4.22Å; E220-V309 HydrophobicContact CB-CG2 3.98Å; I307-V309 HydrophobicContact CG2-CG2 4.18Å; V309-G311 VanDerWaalsContact C-N 3.31Å; V309-G311 PolarHBondContact O-N 3.06Å
310L96.7Very high95.9Very high16 Ų1654.1 Ų54.18%0.08430%0.298CS..  trans-65.6-39.8-178.2-62.2-175.2000110.8I199 A202 E220 V221 T308 V313 Q314I199-L310 HydrophobicContact CB-CD1 4.25Å; I199-L310 HydrophobicContact CG1-CD1 4.04Å; I199-L310 HydrophobicContact CG2-CD1 4.09Å; A202-L310 HydrophobicContact CB-CD1 4.34Å; A202-L310 HydrophobicContact CB-CD2 3.53Å; E220-L310 PolarHBondContact O-N 3.29Å; V221-L310 HydrophobicContact CG2-CD1 4.48Å; T308-L310 HydrophobicContact CG2-CD2 4.18Å; L310-V313 HydrophobicContact CB-CG2 4.09Å; L310-V313 VanDerWaalsContact O-CG2 3.22Å; L310-V313 WeakPolarHBondContact O-CG2 3.46Å; L310-Q314 HydrophobicContact CB-CG 4.08Å; L310-Q314 HydrophobicContact CD1-CG 4.39Å
311G95.7Very high96Very high18 Ų1848.4 Ų48.419%0.18627%0.272CS..G310 helixtrans58.4-142.7178.900000112.6V309 V313 Q314V309-G311 VanDerWaalsContact C-N 3.31Å; V309-G311 PolarHBondContact O-N 3.06Å; G311-V313 PolarHBondContact O-N 3.5Å; G311-V313 VanDerWaalsContact O-N 3.09Å; G311-Q314 WeakPolarHBondContact O-CB 3.46Å; G311-Q314 WeakPolarHBondContact O-CG 3.33Å; G311-Q314 PolarHBondContact O-N 2.96Å; G311-Q314 PolarHBondContact O-NE2 3.29Å
312H95.5Very high96.2Very high141 Ų14149.4 Ų49.465%0.65328%0.275SS*.G310 helixtrans-71.3-5.3-167.8-6683.1000115.3Q314 R315 G316H312-Q314 PolarHBondContact O-N 3.43Å; H312-Q314 VanDerWaalsContact O-N 3.09Å; H312-R315 PolarHBondContact O-N 3.1Å; H312-G316 PolarHBondContact O-N 3.02Å
313V96.5Very high96.5Very high83 Ų8341.1 Ų41.150%0.50324%0.236SC..G310 helixtrans-57.9-22.8169.1-540000111.6R198 L310 G311R198-V313 VanDerWaalsContact CG-O 3.28Å; R198-V313 WeakPolarHBondContact CG-O 3.44Å; L310-V313 HydrophobicContact CB-CG2 4.09Å; L310-V313 VanDerWaalsContact O-CG2 3.22Å; L310-V313 WeakPolarHBondContact O-CG2 3.46Å; G311-V313 PolarHBondContact O-N 3.5Å; G311-V313 VanDerWaalsContact O-N 3.09Å
314Q97.8Very high96.8Very high1 Ų140 Ų401%0.00523%0.23CC..G310 helixtrans-73.1-23.8175.9-63.3169.988.800113.6Q42 I179 A195 I199 M222 L310 G311 H312Q42-Q314 PolarHBondContact NE2-O 3.4Å; I179-Q314 HydrophobicContact CD1-CB 4.31Å; A195-Q314 WeakPolarHBondContact CA-O 3.27Å; A195-Q314 WeakPolarHBondContact CB-O 3.5Å; I199-Q314 HydrophobicContact CG1-CG 3.92Å; M222-Q314 VanDerWaalsContact CG-NE2 3.34Å; M222-Q314 HydrophobicContact SD-CB 4.36Å; L310-Q314 HydrophobicContact CB-CG 4.08Å; L310-Q314 HydrophobicContact CD1-CG 4.39Å; G311-Q314 WeakPolarHBondContact O-CB 3.46Å; G311-Q314 WeakPolarHBondContact O-CG 3.33Å; G311-Q314 PolarHBondContact O-N 2.96Å; G311-Q314 PolarHBondContact O-NE2 3.29Å; H312-Q314 PolarHBondContact O-N 3.43Å; H312-Q314 VanDerWaalsContact O-N 3.09Å
315R95.1Very high96.9Very high33 Ų3337.5 Ų37.513%0.12522%0.217CC..THydrogen-bonded Turntrans-94.1-23.2175.9-67.4-173-175.6-91.4-7.5113.1D40 Q42 I179 D180 M222 H312D40-R315 PolarHBondContact O-NH1 3.48Å; Q42-R315 VanDerWaalsContact CD-C 3.5Å; Q42-R315 WeakPolarHBondContact CG-O 3.48Å; Q42-R315 PolarHBondContact NE2-O 3.44Å; Q42-R315 PolarHBondContact OE1-O 3.27Å; I179-R315 HydrophobicContact CD1-CG 3.63Å; I179-R315 HydrophobicContact CG1-CG 4.35Å; I179-R315 HydrophobicContact CG2-CG 4.4Å; D180-R315 IonicContact OD1-NH2 3.16Å; D180-R315 IonicContact OD2-NH2 3.81Å; M222-R315 HydrophobicContact SD-CG 4.41Å; H312-R315 PolarHBondContact O-N 3.1Å
316G92.8Very high96.9Very high30 Ų3037.7 Ų37.731%0.30922%0.217SC..  trans-88.1176-177.300000114.6Q42 H312Q42-G316 PolarHBondContact NE2-O 2.97Å; H312-G316 PolarHBondContact O-N 3.02Å
317G94.4Very high96.9Very high41 Ų4132.6 Ų32.642%0.42320%0.198SC..SBendtrans90.8173.3178.200000113.8Q42 G94Q42-G317 WeakPolarHBondContact CG-O 3.19Å; G94-G317 WeakPolarHBondContact CA-O 3.2Å
318S96.2Very high96.8Very high69 Ų6930.3 Ų30.348%0.48319%0.186SC..PPolyproline II helixtrans-70.5144.7176.1-70.70000110.9Q92Q92-S318 WeakPolarHBondContact O-CB 3.32Å; Q92-S318 PolarHBondContact O-OG 2.8Å
319P98.1Very high96.7Very high4 Ų428.6 Ų28.63%0.02618%0.175CC..PPolyproline II helixtrans-65.3147.1175.124.6-30.4000111.7Q42 L91 S194 D323 R324Q42-P319 HydrophobicContact CB-CB 3.89Å; L91-P319 WeakPolarHBondContact O-CG 3.36Å; S194-P319 WeakPolarHBondContact OG-CA 3.1Å; P319-D323 HydrophobicContact CB-CB 4.2Å; P319-R324 HydrophobicContact CB-CG 3.95Å; P319-R324 HydrophobicContact CG-CG 3.66Å; P319-R324 PolarHBondContact O-NE 3.02Å; P319-R324 PolarHBondContact O-NH2 3.27Å; P319-R324 VanDerWaalsContact O-NH2 3.09Å
320S98.4Very high96.6Very high8 Ų824.9 Ų24.96%0.05615%0.152CC..PPolyproline II helixtrans-59.4162.3167.771.30000110.8D193 S194 F322 D323 R324D193-S320 WeakPolarHBondContact OD2-CB 3.43Å; D193-S320 PolarHBondContact OD2-OG 3.34Å; S194-S320 PolarHBondContact OG-N 2.92Å; S320-F322 PolarHBondContact O-N 3.37Å; S320-D323 PolarHBondContact O-N 3.05Å; S320-D323 PolarHBondContact OG-N 2.99Å; S320-D323 VanDerWaalsContact OG-N 3.15Å; S320-R324 VanDerWaalsContact O-CG 3.3Å; S320-R324 WeakPolarHBondContact O-CG 3.39Å; S320-R324 PolarHBondContact O-N 3.23Å; S320-R324 VanDerWaalsContact O-N 3.17Å
321A98.3Very high96.7Very high0 Ų024.1 Ų24.10%015%0.148CC..Hα-helixtrans-60.2-39.6176.100000111.6R324 I325 L564 N565 T568 A605A321-R324 PolarHBondContact O-N 2.85Å; A321-I325 WeakPolarHBondContact O-CD1 3.46Å; A321-I325 WeakPolarHBondContact O-CG1 3.38Å; A321-I325 PolarHBondContact O-N 2.7Å; A321-L564 HydrophobicContact CB-CD1 4.32Å; A321-L564 HydrophobicContact CB-CD2 3.99Å; A321-L564 HydrophobicContact CB-CG 3.59Å; A321-N565 PolarHBondContact N-OD1 2.74Å; A321-T568 HydrophobicContact CB-CG2 4.31Å; A321-T568 WeakPolarHBondContact CB-OG1 3.29Å; A321-A605 HydrophobicContact CB-CB 4.16Å
322F97.8Very high96.6Very high47 Ų4723.2 Ų23.221%0.20614%0.139CC..Hα-helixtrans-58.4-51.3176.3177.7-91.5000111.9M188 D193 S320 R324 I325 L326 L354M188-F322 HydrophobicContact CB-CE1 4.31Å; M188-F322 HydrophobicContact CB-CZ 4.35Å; M188-F322 HydrophobicContact CG-CE1 3.68Å; M188-F322 HydrophobicContact CG-CZ 4.16Å; D193-F322 HydrophobicContact CB-CD1 3.71Å; D193-F322 HydrophobicContact CB-CE1 4.37Å; D193-F322 HydrophobicContact CB-CG 4.48Å; S320-F322 PolarHBondContact O-N 3.37Å; F322-R324 VanDerWaalsContact C-N 3.27Å; F322-R324 PolarHBondContact O-N 3.09Å; F322-I325 PolarHBondContact O-N 3.42Å; F322-I325 VanDerWaalsContact O-N 3.13Å; F322-L326 HydrophobicContact CE1-CB 4.19Å; F322-L326 HydrophobicContact CE1-CD2 3.71Å; F322-L326 HydrophobicContact CE1-CG 4.42Å; F322-L326 HydrophobicContact CZ-CB 4.49Å; F322-L326 HydrophobicContact CZ-CD1 4.48Å; F322-L326 HydrophobicContact CZ-CD2 4.18Å; F322-L326 VanDerWaalsContact O-CB 3.3Å; F322-L326 WeakPolarHBondContact O-CB 3.45Å; F322-L326 PolarHBondContact O-N 3Å; F322-L354 HydrophobicContact CZ-CD2 3.89Å
323D98.2Very high96.6Very high0 Ų016.5 Ų16.50%011%0.108CC..Hα-helixtrans-66-28.5-179-83.3-41.7000113.2G191 S194 P319 S320 G327G191-D323 WeakPolarHBondContact CA-OD2 3.21Å; G191-D323 PolarHBondContact N-OD1 2.71Å; G191-D323 PolarHBondContact N-OD2 3.48Å; S194-D323 WeakPolarHBondContact CB-OD2 3.33Å; S194-D323 PolarHBondContact N-OD2 3.41Å; S194-D323 PolarHBondContact OG-OD2 3.09Å; P319-D323 HydrophobicContact CB-CB 4.2Å; S320-D323 PolarHBondContact O-N 3.05Å; S320-D323 PolarHBondContact OG-N 2.99Å; S320-D323 VanDerWaalsContact OG-N 3.15Å; D323-G327 PolarHBondContact O-N 3.11Å
324R98.4Very high96.6Very high7 Ų712.6 Ų12.63%0.0268%0.084CC..Hα-helixtrans-67-45.6171.9-66.2174.6-158.5-151.31111.7A46 L91 P319 S320 A321 F322 S328 T568 D572 A605A46-R324 WeakPolarHBondContact CB-O 3.26Å; L91-R324 HydrophobicContact CD1-CB 4.2Å; L91-R324 HydrophobicContact CD1-CG 4.43Å; L91-R324 HydrophobicContact CG-CB 4.49Å; L91-R324 HydrophobicContact CG-CG 4.41Å; P319-R324 HydrophobicContact CB-CG 3.95Å; P319-R324 HydrophobicContact CG-CG 3.66Å; P319-R324 PolarHBondContact O-NE 3.02Å; P319-R324 PolarHBondContact O-NH2 3.27Å; P319-R324 VanDerWaalsContact O-NH2 3.09Å; S320-R324 VanDerWaalsContact O-CG 3.3Å; S320-R324 WeakPolarHBondContact O-CG 3.39Å; S320-R324 PolarHBondContact O-N 3.23Å; S320-R324 VanDerWaalsContact O-N 3.17Å; A321-R324 PolarHBondContact O-N 2.85Å; F322-R324 VanDerWaalsContact C-N 3.27Å; F322-R324 PolarHBondContact O-N 3.09Å; R324-S328 WeakPolarHBondContact O-CB 3.36Å; R324-S328 PolarHBondContact O-N 2.91Å; R324-S328 PolarHBondContact O-OG 2.83Å; R324-T568 VanDerWaalsContact CZ-CG2 3.42Å; R324-T568 VanDerWaalsContact NH1-CG2 3.28Å; R324-D572 IonicContact CZ-OD2 3Å; R324-D572 VanDerWaalsContact NH1-CG 3.33Å; R324-D572 IonicContact NH1-OD1 3.23Å; R324-D572 PolarHBondContact NH1-OD1 3.22Å; R324-D572 VanDerWaalsContact NH1-OD1 3.1Å; R324-D572 IonicContact NH1-OD2 3.38Å; R324-D572 PolarHBondContact NH1-OD2 3.25Å; R324-D572 IonicContact NH2-OD2 2.69Å; R324-D572 PolarHBondContact NH2-OD2 3.28Å; R324-A605 HydrophobicContact CB-CB 4.35Å; R324-A605 WeakPolarHBondContact CD-O 3.42Å
325I97.5Very high96.4Very high8 Ų812.5 Ų12.54%0.0418%0.084CC..Hα-helixtrans-68.5-47.1179.3-70155.2000109.8A321 F322 G327 S328 R329 L564 M601 L604 A605A321-I325 WeakPolarHBondContact O-CD1 3.46Å; A321-I325 WeakPolarHBondContact O-CG1 3.38Å; A321-I325 PolarHBondContact O-N 2.7Å; F322-I325 PolarHBondContact O-N 3.42Å; F322-I325 VanDerWaalsContact O-N 3.13Å; I325-G327 PolarHBondContact O-N 3.49Å; I325-S328 WeakPolarHBondContact O-CB 3.23Å; I325-S328 PolarHBondContact O-N 3.26Å; I325-S328 VanDerWaalsContact O-N 3.11Å; I325-R329 HydrophobicContact CG2-CG 4.25Å; I325-R329 WeakPolarHBondContact O-CG 3.39Å; I325-R329 PolarHBondContact O-N 3.01Å; I325-L564 HydrophobicContact CD1-CD2 3.83Å; I325-M601 HydrophobicContact CD1-CB 4.35Å; I325-M601 HydrophobicContact CD1-CE 3.82Å; I325-M601 HydrophobicContact CG1-CE 4.49Å; I325-M601 HydrophobicContact CG2-CE 3.97Å; I325-L604 HydrophobicContact CG1-CD2 4.28Å; I325-L604 HydrophobicContact CG1-CG 4.3Å; I325-L604 HydrophobicContact CG2-CD2 3.99Å; I325-A605 HydrophobicContact CD1-CB 3.95Å; I325-A605 HydrophobicContact CG1-CB 3.9Å
326L97Very high96.3Very high4 Ų411.1 Ų11.12%0.0218%0.079CC..Hα-helixtrans-57.1-52.3178.5-176.865.6000110.9I190 F322 S328 R329 M330 L354I190-L326 HydrophobicContact CG1-CD2 4.01Å; I190-L326 HydrophobicContact CG1-CG 4.18Å; F322-L326 HydrophobicContact CE1-CB 4.19Å; F322-L326 HydrophobicContact CE1-CD2 3.71Å; F322-L326 HydrophobicContact CE1-CG 4.42Å; F322-L326 HydrophobicContact CZ-CB 4.49Å; F322-L326 HydrophobicContact CZ-CD1 4.48Å; F322-L326 HydrophobicContact CZ-CD2 4.18Å; F322-L326 VanDerWaalsContact O-CB 3.3Å; F322-L326 WeakPolarHBondContact O-CB 3.45Å; F322-L326 PolarHBondContact O-N 3Å; L326-S328 VanDerWaalsContact C-N 3.26Å; L326-S328 PolarHBondContact O-N 2.74Å; L326-R329 PolarHBondContact O-N 2.83Å; L326-M330 HydrophobicContact CD1-CE 3.59Å; L326-M330 HydrophobicContact CD1-CG 4.17Å; L326-M330 HydrophobicContact CD1-SD 3.88Å; L326-M330 HydrophobicContact CD2-CE 4.37Å; L326-M330 HydrophobicContact CD2-SD 4.33Å; L326-M330 HydrophobicContact CG-CE 4.08Å; L326-M330 HydrophobicContact CG-CG 4.42Å; L326-M330 HydrophobicContact CG-SD 3.8Å; L326-M330 WeakPolarHBondContact O-CB 3.38Å; L326-M330 WeakPolarHBondContact O-CG 3.09Å; L326-M330 PolarHBondContact O-N 3.42Å; L326-L354 HydrophobicContact CD1-CB 4.34Å; L326-L354 HydrophobicContact CD1-CD1 4.16Å; L326-L354 HydrophobicContact CD1-CD2 4.13Å; L326-L354 HydrophobicContact CD1-CG 4.46Å
327G97Very high96.3Very high0 Ų09.8 Ų9.80%07%0.065CC..Hα-helixtrans-58.6-39.7176.300000112A47 D323 I325 G331A47-G327 VanDerWaalsContact CA-O 3.23Å; A47-G327 WeakPolarHBondContact CA-O 3.38Å; D323-G327 PolarHBondContact O-N 3.11Å; I325-G327 PolarHBondContact O-N 3.49Å; G327-G331 PolarHBondContact O-N 3.13Å
328S97Very high96.2Very high0 Ų07.9 Ų7.90%05%0.045CC..Hα-helixtrans-66-44.4178.7-59.90000112.9A50 R324 I325 L326 A332A50-S328 WeakPolarHBondContact CB-O 3.38Å; R324-S328 WeakPolarHBondContact O-CB 3.36Å; R324-S328 PolarHBondContact O-N 2.91Å; R324-S328 PolarHBondContact O-OG 2.83Å; I325-S328 WeakPolarHBondContact O-CB 3.23Å; I325-S328 PolarHBondContact O-N 3.26Å; I325-S328 VanDerWaalsContact O-N 3.11Å; L326-S328 VanDerWaalsContact C-N 3.26Å; L326-S328 PolarHBondContact O-N 2.74Å; S328-A332 WeakPolarHBondContact O-CB 3.19Å; S328-A332 PolarHBondContact O-N 2.88Å; S328-A332 VanDerWaalsContact O-N 3.14Å
329R95.4Very high96Very high8 Ų84.6 Ų4.63%0.032%0.022CC..Hα-helixtrans-63.8-51.7176.8-68.9171.171.3-170.46.8110.9I325 L326 G331 A332 E333 N357 L764 L767 E781I325-R329 HydrophobicContact CG2-CG 4.25Å; I325-R329 WeakPolarHBondContact O-CG 3.39Å; I325-R329 PolarHBondContact O-N 3.01Å; L326-R329 PolarHBondContact O-N 2.83Å; R329-G331 PolarHBondContact O-N 2.8Å; R329-A332 PolarHBondContact O-N 2.81Å; R329-E333 WeakPolarHBondContact O-CB 3.36Å; R329-E333 PolarHBondContact O-N 3.08Å; R329-N357 PolarHBondContact NH1-O 2.67Å; R329-N357 PolarHBondContact NH1-OD1 3.15Å; R329-N357 PolarHBondContact NH2-O 3.46Å; R329-L764 HydrophobicContact CG-CD2 4.05Å; R329-L767 HydrophobicContact CB-CD2 4.45Å; R329-L767 HydrophobicContact CG-CD2 3.89Å; R329-E781 IonicContact CZ-OE1 2.98Å; R329-E781 IonicContact CZ-OE2 3.8Å; R329-E781 IonicContact NE-OE1 3.38Å; R329-E781 PolarHBondContact NE-OE1 2.81Å; R329-E781 IonicContact NE-OE2 3.79Å; R329-E781 PolarHBondContact NE-OE2 2.94Å; R329-E781 IonicContact NH2-OE1 2.99Å; R329-E781 PolarHBondContact NH2-OE1 3.31Å; R329-E781 IonicContact NH2-OE2 3.27Å
330M96Very high95.5Very high4 Ų45.2 Ų5.22%0.023%0.025CC..Hα-helixtrans-62.4-41.9-179.4-74-178162.700112.5L175 I190 L326 E333 A334 I352 L354L175-M330 HydrophobicContact CD1-CB 4.43Å; L175-M330 HydrophobicContact CD2-CB 3.88Å; I190-M330 HydrophobicContact CD1-SD 3.83Å; I190-M330 HydrophobicContact CG1-SD 3.83Å; L326-M330 HydrophobicContact CD1-CE 3.59Å; L326-M330 HydrophobicContact CD1-CG 4.17Å; L326-M330 HydrophobicContact CD1-SD 3.88Å; L326-M330 HydrophobicContact CD2-CE 4.37Å; L326-M330 HydrophobicContact CD2-SD 4.33Å; L326-M330 HydrophobicContact CG-CE 4.08Å; L326-M330 HydrophobicContact CG-CG 4.42Å; L326-M330 HydrophobicContact CG-SD 3.8Å; L326-M330 WeakPolarHBondContact O-CB 3.38Å; L326-M330 WeakPolarHBondContact O-CG 3.09Å; L326-M330 PolarHBondContact O-N 3.42Å; M330-E333 PolarHBondContact O-N 2.91Å; M330-A334 WeakPolarHBondContact O-CB 3.41Å; M330-A334 PolarHBondContact O-N 3.35Å; M330-I352 HydrophobicContact CB-CB 4.48Å; M330-I352 HydrophobicContact CB-CG2 4.2Å; M330-I352 HydrophobicContact CG-CB 4.48Å; M330-I352 HydrophobicContact CG-CG2 3.98Å; M330-L354 HydrophobicContact CE-CB 4.11Å
331G97Very high95Very high0 Ų05.4 Ų5.40%03%0.027CC..Hα-helixtrans-66.1-39.3178.700000113.3V51 G327 R329 V335V51-G331 WeakPolarHBondContact CG2-O 3.36Å; G327-G331 PolarHBondContact O-N 3.13Å; R329-G331 PolarHBondContact O-N 2.8Å; G331-V335 PolarHBondContact O-N 3.33Å
332A95.1Very high94.4Very high0 Ų08.3 Ų8.30%04%0.043CC..Hα-helixtrans-66.4-45.4175.900000111.2M54 S328 R329 A334 V335 L336 L767M54-A332 HydrophobicContact CB-CB 4.32Å; M54-A332 HydrophobicContact CE-CB 4.07Å; M54-A332 HydrophobicContact CG-CB 4.17Å; M54-A332 HydrophobicContact SD-CB 4.44Å; S328-A332 WeakPolarHBondContact O-CB 3.19Å; S328-A332 PolarHBondContact O-N 2.88Å; S328-A332 VanDerWaalsContact O-N 3.14Å; R329-A332 PolarHBondContact O-N 2.81Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 3.36Å; A332-V335 PolarHBondContact O-N 2.9Å; A332-L336 PolarHBondContact O-N 3.33Å; A332-L767 HydrophobicContact CB-CD1 3.49Å; A332-L767 VanDerWaalsContact CB-CD1 3.49Å
333E94.2Very high93.7Very high0 Ų012.3 Ų12.30%06%0.056CC..Hα-helixtrans-66.7-32.5178.4-171.257.3-142.600112.8R329 M330 V335 L336 A337 I352 R361 S780 S782R329-E333 WeakPolarHBondContact O-CB 3.36Å; R329-E333 PolarHBondContact O-N 3.08Å; M330-E333 PolarHBondContact O-N 2.91Å; E333-V335 VanDerWaalsContact C-N 3.29Å; E333-V335 PolarHBondContact O-N 2.84Å; E333-L336 PolarHBondContact O-N 3.37Å; E333-L336 VanDerWaalsContact O-N 3.17Å; E333-A337 WeakPolarHBondContact O-CB 3.41Å; E333-A337 PolarHBondContact O-N 2.56Å; E333-I352 HydrophobicContact CB-CG2 4.12Å; E333-I352 HydrophobicContact CG-CD1 4.11Å; E333-I352 HydrophobicContact CG-CG2 4.09Å; E333-R361 IonicContact OE1-CZ 3.24Å; E333-R361 VanDerWaalsContact OE1-CZ 3.23Å; E333-R361 IonicContact OE1-NE 2.71Å; E333-R361 PolarHBondContact OE1-NE 3.28Å; E333-R361 IonicContact OE1-NH2 3.07Å; E333-R361 PolarHBondContact OE1-NH2 2.96Å; E333-S780 VanDerWaalsContact CD-OG 3.29Å; E333-S780 PolarHBondContact OE1-OG 3.18Å; E333-S780 PolarHBondContact OE2-OG 2.61Å; E333-S782 VanDerWaalsContact CD-CB 3.46Å; E333-S782 WeakPolarHBondContact OE1-CB 3.49Å; E333-S782 PolarHBondContact OE1-OG 3.2Å
334A96.1Very high93.1Very high0 Ų015.5 Ų15.50%07%0.074CC..Hα-helixtrans-61.7-36.817600000112.8V128 V173 L175 M330 A332 A337 L338 I352V128-A334 HydrophobicContact CG1-CB 4.27Å; V128-A334 HydrophobicContact CG2-CB 4.26Å; V173-A334 HydrophobicContact CB-CB 4.38Å; V173-A334 HydrophobicContact CG1-CB 3.7Å; L175-A334 HydrophobicContact CD1-CB 4.31Å; L175-A334 HydrophobicContact CD2-CB 3.98Å; L175-A334 HydrophobicContact CG-CB 4.33Å; M330-A334 WeakPolarHBondContact O-CB 3.41Å; M330-A334 PolarHBondContact O-N 3.35Å; A332-A334 VanDerWaalsContact C-N 3.32Å; A332-A334 PolarHBondContact O-N 3.36Å; A334-A337 PolarHBondContact O-N 3Å; A334-L338 WeakPolarHBondContact O-CG 3.46Å; A334-L338 PolarHBondContact O-N 3.43Å; A334-I352 HydrophobicContact CB-CG1 4.01Å
335V95.3Very high92.1Very high0 Ų018.1 Ų18.10%09%0.092CC..Hα-helixtrans-63-46.8174.2170.20000110.1I32 V51 M54 G331 A332 E333 A337 L338 M339I32-V335 HydrophobicContact CD1-CB 4.49Å; I32-V335 HydrophobicContact CD1-CG1 3.83Å; I32-V335 HydrophobicContact CD1-CG2 4.27Å; V51-V335 HydrophobicContact CB-CG2 4.34Å; V51-V335 HydrophobicContact CG1-CG2 3.99Å; V51-V335 WeakPolarHBondContact O-CG2 3.39Å; M54-V335 HydrophobicContact CB-CB 4.18Å; M54-V335 HydrophobicContact CB-CG1 4.4Å; M54-V335 HydrophobicContact CB-CG2 4.04Å; M54-V335 HydrophobicContact CG-CB 3.96Å; M54-V335 HydrophobicContact CG-CG1 4.04Å; M54-V335 HydrophobicContact CG-CG2 4.39Å; G331-V335 PolarHBondContact O-N 3.33Å; A332-V335 PolarHBondContact O-N 2.9Å; E333-V335 VanDerWaalsContact C-N 3.29Å; E333-V335 PolarHBondContact O-N 2.84Å; V335-A337 VanDerWaalsContact C-N 3.34Å; V335-A337 PolarHBondContact O-N 2.69Å; V335-L338 PolarHBondContact O-N 2.91Å; V335-M339 VanDerWaalsContact O-CG 3.32Å; V335-M339 WeakPolarHBondContact O-CG 3.47Å; V335-M339 PolarHBondContact O-N 2.76Å
336L92Very high91.5Very high4 Ų424.4 Ų24.42%0.02113%0.125CC..Hα-helixtrans-64.1-41.6179.5-57.1-171000112V22 M54 A332 E333 L338 M339 D340 Y778V22-L336 HydrophobicContact CB-CD2 4.36Å; V22-L336 HydrophobicContact CG1-CD2 4.11Å; V22-L336 HydrophobicContact CG2-CD1 4.1Å; V22-L336 HydrophobicContact CG2-CD2 3.75Å; M54-L336 HydrophobicContact CE-CD1 4.25Å; M54-L336 HydrophobicContact CE-CD2 4.22Å; M54-L336 HydrophobicContact CE-CG 4.31Å; A332-L336 PolarHBondContact O-N 3.33Å; E333-L336 PolarHBondContact O-N 3.37Å; E333-L336 VanDerWaalsContact O-N 3.17Å; L336-L338 VanDerWaalsContact C-N 3.3Å; L336-L338 PolarHBondContact O-N 3.49Å; L336-M339 PolarHBondContact O-N 2.89Å; L336-D340 VanDerWaalsContact O-CG 3.23Å; L336-D340 PolarHBondContact O-N 2.92Å; L336-Y778 HydrophobicContact CD1-CD1 3.52Å; L336-Y778 HydrophobicContact CD1-CE1 3.42Å; L336-Y778 VanDerWaalsContact CD1-CE1 3.42Å
337A92.5Very high90.9Very high2 Ų225.7 Ų25.72%0.01713%0.132CC..Hα-helixtrans-61-38176.300000112.8V173 E333 A334 V335 A341 I352V173-A337 HydrophobicContact CG1-CB 4.49Å; V173-A337 HydrophobicContact CG2-CB 3.76Å; E333-A337 WeakPolarHBondContact O-CB 3.41Å; E333-A337 PolarHBondContact O-N 2.56Å; A334-A337 PolarHBondContact O-N 3Å; V335-A337 VanDerWaalsContact C-N 3.34Å; V335-A337 PolarHBondContact O-N 2.69Å; A337-A341 WeakPolarHBondContact O-CB 3.49Å; A337-A341 PolarHBondContact O-N 3.13Å; A337-I352 HydrophobicContact CB-CD1 3.95Å
338L93.6Very high90.2Very high0 Ų028.3 Ų28.30%015%0.149CC..Hα-helixtrans-65.1-46.1173.3-75.7169.3000111.7I32 N126 V128 N171 V173 A334 V335 L336 D340 A341 D342I32-L338 HydrophobicContact CG2-CD1 3.96Å; N126-L338 HydrophobicContact CB-CB 4.27Å; N126-L338 HydrophobicContact CB-CD1 4.07Å; N126-L338 HydrophobicContact CB-CD2 4.1Å; N126-L338 HydrophobicContact CB-CG 4.38Å; V128-L338 HydrophobicContact CG2-CD1 3.37Å; N171-L338 HydrophobicContact CB-CD2 3.74Å; N171-L338 WeakPolarHBondContact O-CD2 3.28Å; V173-L338 HydrophobicContact CB-CD2 4.24Å; V173-L338 HydrophobicContact CB-CG 4.13Å; V173-L338 HydrophobicContact CG2-CD2 3.71Å; V173-L338 HydrophobicContact CG2-CG 3.65Å; A334-L338 WeakPolarHBondContact O-CG 3.46Å; A334-L338 PolarHBondContact O-N 3.43Å; V335-L338 PolarHBondContact O-N 2.91Å; L336-L338 VanDerWaalsContact C-N 3.3Å; L336-L338 PolarHBondContact O-N 3.49Å; L338-D340 VanDerWaalsContact C-N 3.29Å; L338-D340 PolarHBondContact O-N 2.93Å; L338-A341 PolarHBondContact O-N 2.92Å; L338-D342 PolarHBondContact O-N 2.73Å
339M91.3Very high89.9Confident1 Ų128.6 Ų28.61%0.00515%0.151CC..Hα-helixtrans-66.1-32.4-179.5-65.2-54.889.200113F27 E30 I32 C60 N126 V335 L336 R343F27-M339 HydrophobicContact CB-CG 4.35Å; F27-M339 HydrophobicContact CB-SD 3.67Å; F27-M339 HydrophobicContact CD1-CB 3.81Å; F27-M339 HydrophobicContact CD1-CG 3.85Å; F27-M339 HydrophobicContact CD1-SD 3.76Å; F27-M339 HydrophobicContact CD2-CB 4.35Å; F27-M339 HydrophobicContact CD2-CG 3.92Å; F27-M339 HydrophobicContact CD2-SD 4.36Å; F27-M339 HydrophobicContact CE1-CB 3.48Å; F27-M339 VanDerWaalsContact CE1-CB 3.48Å; F27-M339 HydrophobicContact CE1-CG 4Å; F27-M339 HydrophobicContact CE1-SD 4.44Å; F27-M339 HydrophobicContact CE2-CB 4.07Å; F27-M339 HydrophobicContact CE2-CG 4.08Å; F27-M339 HydrophobicContact CG-CB 4.22Å; F27-M339 HydrophobicContact CG-CG 3.79Å; F27-M339 HydrophobicContact CG-SD 3.69Å; F27-M339 HydrophobicContact CZ-CB 3.63Å; F27-M339 HydrophobicContact CZ-CG 4.12Å; E30-M339 HydrophobicContact CB-CE 4.31Å; E30-M339 HydrophobicContact CB-SD 4.05Å; E30-M339 HydrophobicContact CG-SD 4.11Å; I32-M339 HydrophobicContact CD1-CE 3.84Å; I32-M339 HydrophobicContact CG1-CE 3.94Å; C60-M339 VanDerWaalsContact SG-SD 3.63Å; N126-M339 HydrophobicContact CB-CE 4.36Å; V335-M339 VanDerWaalsContact O-CG 3.32Å; V335-M339 WeakPolarHBondContact O-CG 3.47Å; V335-M339 PolarHBondContact O-N 2.76Å; L336-M339 PolarHBondContact O-N 2.89Å; M339-R343 PolarHBondContact O-N 3.4Å
340D88.4Confident89.8Confident17 Ų1728.6 Ų28.69%0.09115%0.152CC..Hα-helixtrans-69.4-43.6172.2-68-25.9000111.2M17 L336 L338 D342 R343 D344 R361M17-D340 VanDerWaalsContact CE-OD1 3.27Å; M17-D340 WeakPolarHBondContact CE-OD1 3.35Å; L336-D340 VanDerWaalsContact O-CG 3.23Å; L336-D340 PolarHBondContact O-N 2.92Å; L338-D340 VanDerWaalsContact C-N 3.29Å; L338-D340 PolarHBondContact O-N 2.93Å; D340-D342 VanDerWaalsContact C-N 3.27Å; D340-D342 PolarHBondContact O-N 2.68Å; D340-R343 PolarHBondContact O-N 3.47Å; D340-D344 PolarHBondContact O-N 3.36Å; D340-R361 IonicContact OD2-CZ 2.78Å; D340-R361 VanDerWaalsContact OD2-CZ 3.3Å; D340-R361 IonicContact OD2-NH1 3.73Å; D340-R361 PolarHBondContact OD2-NH1 2.98Å; D340-R361 IonicContact OD2-NH2 2.61Å; D340-R361 PolarHBondContact OD2-NH2 3.36Å
341A88.1Confident89.7Confident12 Ų1228.4 Ų28.410%0.09915%0.151CC..Hα-helixtrans-64.5-31.5177.600000112.8N171 A337 L338 R343 D344 L347N171-A341 HydrophobicContact CB-CB 4.31Å; A337-A341 WeakPolarHBondContact O-CB 3.49Å; A337-A341 PolarHBondContact O-N 3.13Å; L338-A341 PolarHBondContact O-N 2.92Å; A341-R343 VanDerWaalsContact C-N 3.34Å; A341-D344 CarbonylContact O-C 3.59Å; A341-L347 HydrophobicContact CB-CB 4.44Å
342D84.2Confident89.6Confident60 Ų6028.4 Ų28.432%0.32115%0.151SC..Hα-helixtrans-67.6-36.2175.2-162.465.6000112.2N171 L338 D340N171-D342 WeakPolarHBondContact ND2-CA 3.41Å; N171-D342 PolarHBondContact ND2-OD1 2.91Å; N171-D342 VanDerWaalsContact ND2-OD1 3.1Å; L338-D342 PolarHBondContact O-N 2.73Å; D340-D342 VanDerWaalsContact C-N 3.27Å; D340-D342 PolarHBondContact O-N 2.68Å
343R84.5Confident89.5Confident131 Ų13128.4 Ų28.449%0.49415%0.151SC..Hα-helixtrans-79.2-34.7177.4-72.7-179.9173.7164.73.3114.1M339 D340 A341 P345M339-R343 PolarHBondContact O-N 3.4Å; D340-R343 PolarHBondContact O-N 3.47Å; A341-R343 VanDerWaalsContact C-N 3.34Å; R343-P345 WeakPolarHBondContact O-CD 3.48Å
344D85.7Confident89.3Confident67 Ų6728.8 Ų28.836%0.35815%0.153SC..  trans-115.3101.5178.5178.75000111.7D340 A341 N346 L347D340-D344 PolarHBondContact O-N 3.36Å; A341-D344 CarbonylContact O-C 3.59Å; D344-N346 PolarHBondContact O-N 3.36Å; D344-N346 PolarHBondContact OD1-N 3.03Å; D344-N346 PolarHBondContact OD1-ND2 3.14Å; D344-L347 HydrophobicContact CB-CD1 3.53Å; D344-L347 PolarHBondContact O-N 2.91Å; D344-L347 VanDerWaalsContact O-N 3.14Å; D344-L347 WeakPolarHBondContact OD2-CD1 3.29Å
345P77.2Confident88.8Confident63 Ų6330.1 Ų30.141%0.40916%0.16SC..THydrogen-bonded Turntrans-42.5-31.8173.4-36.238000118.3R343R343-P345 WeakPolarHBondContact O-CD 3.48Å
346N83.8Confident88.3Confident139 Ų13931 Ų3174%0.74317%0.17SC*.THydrogen-bonded Turntrans-91.4-6.2-168.7-58.7-53.4000112D344D344-N346 PolarHBondContact O-N 3.36Å; D344-N346 PolarHBondContact OD1-N 3.03Å; D344-N346 PolarHBondContact OD1-ND2 3.14Å
347L84Confident88Confident32 Ų3231.4 Ų31.417%0.16817%0.172CC..PPolyproline II helixtrans-68.2126.7178-98.2122.4000111.3R143 A341 D344 M784R143-L347 PolarHBondContact NH2-O 2.82Å; R143-L347 VanDerWaalsContact NH2-O 3.11Å; A341-L347 HydrophobicContact CB-CB 4.44Å; D344-L347 HydrophobicContact CB-CD1 3.53Å; D344-L347 PolarHBondContact O-N 2.91Å; D344-L347 VanDerWaalsContact O-N 3.14Å; D344-L347 WeakPolarHBondContact OD2-CD1 3.29Å; L347-M784 HydrophobicContact CD2-CE 3.83Å; L347-M784 HydrophobicContact CD2-SD 4.23Å
348P84.1Confident87.6Confident54 Ų5432.7 Ų32.735%0.35118%0.178SC..PPolyproline II helixtrans-69.1156.8172.930.5-34.2000110.2C350P348-C350 PolarHBondContact O-N 2.58Å
349S89Confident87.3Confident6 Ų632.9 Ų32.94%0.04218%0.179CC..PPolyproline II helixtrans-60.6136.6167.637.20000107.8R143 I172 L364R143-S349 PolarHBondContact NH1-OG 3.35Å; I172-S349 WeakPolarHBondContact O-CB 3.42Å; S349-L364 WeakPolarHBondContact O-CB 3.48Å; S349-L364 PolarHBondContact O-N 2.98Å
350C93.1Very high87.2Confident8 Ų833 Ų335%0.05418%0.179CC..EExtended strand (participates in β ladder)trans-121.5161.3-178.266.70000111.2V173 G174 P348 R361 V362V173-C350 WeakPolarHBondContact CA-O 3.25Å; G174-C350 PolarHBondContact N-O 2.88Å; P348-C350 PolarHBondContact O-N 2.58Å; C350-R361 HydrophobicContact CB-CB 4.2Å; C350-V362 CarbonylContact C-O 3.58Å; C350-V362 WeakPolarHBondContact CA-O 3.14Å; C350-V362 WeakPolarHBondContact CB-O 3.44Å
351V94.3Very high87.4Confident0 Ų032.3 Ų32.30%018%0.176CC..EExtended strand (participates in β ladder)trans-107.1134.5163.81780000106.5L136 G174 V176 F183 V362 L364L136-V351 HydrophobicContact CD1-CG1 4.49Å; L136-V351 HydrophobicContact CD1-CG2 4.21Å; G174-V351 VanDerWaalsContact O-CA 3.26Å; G174-V351 WeakPolarHBondContact O-CA 3.3Å; V176-V351 HydrophobicContact CG2-CG1 3.64Å; F183-V351 HydrophobicContact CE1-CB 4.42Å; F183-V351 HydrophobicContact CE1-CG1 4.01Å; F183-V351 HydrophobicContact CE1-CG2 4.08Å; F183-V351 HydrophobicContact CZ-CG2 4.08Å; V351-V362 PolarHBondContact N-O 3.18Å; V351-V362 PolarHBondContact O-N 2.93Å; V351-L364 HydrophobicContact CG2-CB 4.04Å; V351-L364 HydrophobicContact CG2-CD1 3.33Å; V351-L364 HydrophobicContact CG2-CG 4.26Å
352I95.2Very high87.5Confident0 Ų032 Ų320%017%0.172CC..EExtended strand (participates in β ladder)trans-81.4119.3168.3-45.3-54.9000107.3V173 G174 L175 M330 E333 A334 A337 R361V173-I352 HydrophobicContact CG1-CD1 3.83Å; V173-I352 HydrophobicContact CG1-CG1 3.66Å; G174-I352 PolarHBondContact O-N 2.53Å; L175-I352 HydrophobicContact CD2-CB 3.55Å; L175-I352 HydrophobicContact CD2-CG1 3.63Å; M330-I352 HydrophobicContact CB-CB 4.48Å; M330-I352 HydrophobicContact CB-CG2 4.2Å; M330-I352 HydrophobicContact CG-CB 4.48Å; M330-I352 HydrophobicContact CG-CG2 3.98Å; E333-I352 HydrophobicContact CB-CG2 4.12Å; E333-I352 HydrophobicContact CG-CD1 4.11Å; E333-I352 HydrophobicContact CG-CG2 4.09Å; A334-I352 HydrophobicContact CB-CG1 4.01Å; A337-I352 HydrophobicContact CB-CD1 3.95Å; I352-R361 HydrophobicContact CD1-CG 3.82Å
353S92.2Very high87.9Confident0 Ų030.2 Ų30.20%016%0.164CC..EExtended strand (participates in β ladder)trans-123.1169.4-175.2-670000110.8G185 A359 V360G185-S353 WeakPolarHBondContact O-CB 3.22Å; G185-S353 PolarHBondContact O-OG 2.98Å; S353-A359 WeakPolarHBondContact O-CA 3.41Å; S353-V360 PolarHBondContact N-O 3.23Å; S353-V360 PolarHBondContact O-N 3.23Å
354L90.3Very high88.1Confident9 Ų924 Ų245%0.04714%0.14CC..EExtended strand (participates in β ladder)trans-109.3128.3171.1-169.773000109.7T186 D187 M188 F322 L326 M330 G356T186-L354 PolarHBondContact OG1-N 2.91Å; D187-L354 PolarHBondContact N-O 3.43Å; M188-L354 HydrophobicContact CB-CD2 4.14Å; F322-L354 HydrophobicContact CZ-CD2 3.89Å; L326-L354 HydrophobicContact CD1-CB 4.34Å; L326-L354 HydrophobicContact CD1-CD1 4.16Å; L326-L354 HydrophobicContact CD1-CD2 4.13Å; L326-L354 HydrophobicContact CD1-CG 4.46Å; M330-L354 HydrophobicContact CE-CB 4.11Å; L354-G356 WeakPolarHBondContact CD2-O 3.47Å; L354-G356 VanDerWaalsContact CG-O 3.28Å; L354-G356 WeakPolarHBondContact CG-O 3.25Å
355D86.2Confident88.2Confident27 Ų2723.7 Ų23.714%0.14414%0.141CC..EExtended strand (participates in β ladder)trans-118.1104.2168.3-1759.7000108.2N357 Q358 V360 R735 R789D355-N357 PolarHBondContact O-N 3.17Å; D355-N357 VanDerWaalsContact O-N 3.13Å; D355-Q358 PolarHBondContact N-O 3.2Å; D355-Q358 PolarHBondContact O-N 3Å; D355-V360 HydrophobicContact CB-CG1 4.11Å; D355-V360 HydrophobicContact CB-CG2 3.99Å; D355-R735 WeakPolarHBondContact OD1-CD 3.45Å; D355-R735 IonicContact OD1-CZ 3.51Å; D355-R735 IonicContact OD1-NE 3.35Å; D355-R735 IonicContact OD1-NH1 3.92Å; D355-R735 PolarHBondContact OD1-NH1 3.11Å; D355-R735 VanDerWaalsContact OD1-NH1 3.07Å; D355-R735 IonicContact OD2-NH1 3.91Å; D355-R735 PolarHBondContact OD2-NH1 3.06Å; D355-R789 IonicContact OD2-CZ 3.07Å; D355-R789 IonicContact OD2-NH1 3.92Å; D355-R789 PolarHBondContact OD2-NH1 2.9Å
356G84.9Confident88.8Confident19 Ų1925 Ų2520%0.19614%0.14CC..THydrogen-bonded Turntrans61.4-108.7-166.100000111.8D187 L354 R734D187-G356 PolarHBondContact OD2-N 3.24Å; L354-G356 WeakPolarHBondContact CD2-O 3.47Å; L354-G356 VanDerWaalsContact CG-O 3.28Å; L354-G356 WeakPolarHBondContact CG-O 3.25Å; G356-R734 WeakPolarHBondContact CA-O 3.44Å
357N84.7Confident89Confident13 Ų1318.4 Ų18.47%0.0711%0.105CC..THydrogen-bonded Turntrans-111.66.4177.3-166.325.6000112.9R329 D355 F556 W760R329-N357 PolarHBondContact NH1-O 2.67Å; R329-N357 PolarHBondContact NH1-OD1 3.15Å; R329-N357 PolarHBondContact NH2-O 3.46Å; D355-N357 PolarHBondContact O-N 3.17Å; D355-N357 VanDerWaalsContact O-N 3.13Å; N357-F556 HydrophobicContact CB-CE2 4.06Å; N357-F556 HydrophobicContact CB-CZ 4.36Å; N357-F556 WeakPolarHBondContact ND2-CZ 3.32Å; N357-W760 VanDerWaalsContact ND2-CE3 3.26Å; N357-W760 VanDerWaalsContact ND2-CH2 3.3Å; N357-W760 WeakPolarHBondContact ND2-CH2 3.07Å; N357-W760 WeakPolarHBondContact ND2-CZ2 3.36Å; N357-W760 VanDerWaalsContact ND2-CZ3 3.32Å; N357-W760 WeakPolarHBondContact ND2-CZ3 3.18Å
358Q84.9Confident89.2Confident29 Ų2917.1 Ų17.114%0.13610%0.098CC..EExtended strand (participates in β ladder)trans-105.3132.5-177.6-176.2161.228.800111.1E18 D355 V360 E781 I783E18-Q358 PolarHBondContact OE1-NE2 3.02Å; D355-Q358 PolarHBondContact N-O 3.2Å; D355-Q358 PolarHBondContact O-N 3Å; Q358-V360 HydrophobicContact CG-CG1 4.4Å; Q358-E781 PolarHBondContact NE2-O 2.99Å; Q358-I783 VanDerWaalsContact NE2-CD1 3.32Å
359A87Confident89.4Confident3 Ų317.7 Ų17.73%0.02510%0.098CC..EExtended strand (participates in β ladder)trans-70135.8169.600000109.7S353 E781 S782S353-A359 WeakPolarHBondContact O-CA 3.41Å; A359-E781 HydrophobicContact CB-CB 4.27Å; A359-S782 VanDerWaalsContact O-CA 3.29Å; A359-S782 WeakPolarHBondContact O-CA 3.35Å
360V90Very high89.5Confident3 Ų319.7 Ų19.72%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-137.4151.7179.9-65.90000110.9S353 D355 Q358 V362 I783 A785S353-V360 PolarHBondContact N-O 3.23Å; S353-V360 PolarHBondContact O-N 3.23Å; D355-V360 HydrophobicContact CB-CG1 4.11Å; D355-V360 HydrophobicContact CB-CG2 3.99Å; Q358-V360 HydrophobicContact CG-CG1 4.4Å; V360-V362 HydrophobicContact CG2-CG2 3.88Å; V360-I783 WeakPolarHBondContact CA-O 3.44Å; V360-A785 HydrophobicContact CB-CB 4.11Å; V360-A785 HydrophobicContact CG1-CB 4.41Å; V360-A785 HydrophobicContact CG2-CB 4.45Å
361R92.4Very high89.3Confident4 Ų420.2 Ų20.22%0.01511%0.108CC..EExtended strand (participates in β ladder)trans-97.5122.6171.9-61.4178.6-169.7179.44.4108.7E333 D340 C350 I352 S782 I783 M784 A785E333-R361 IonicContact OE1-CZ 3.24Å; E333-R361 VanDerWaalsContact OE1-CZ 3.23Å; E333-R361 IonicContact OE1-NE 2.71Å; E333-R361 PolarHBondContact OE1-NE 3.28Å; E333-R361 IonicContact OE1-NH2 3.07Å; E333-R361 PolarHBondContact OE1-NH2 2.96Å; D340-R361 IonicContact OD2-CZ 2.78Å; D340-R361 VanDerWaalsContact OD2-CZ 3.3Å; D340-R361 IonicContact OD2-NH1 3.73Å; D340-R361 PolarHBondContact OD2-NH1 2.98Å; D340-R361 IonicContact OD2-NH2 2.61Å; D340-R361 PolarHBondContact OD2-NH2 3.36Å; C350-R361 HydrophobicContact CB-CB 4.2Å; I352-R361 HydrophobicContact CD1-CG 3.82Å; R361-S782 WeakPolarHBondContact CG-OG 3.26Å; R361-S782 PolarHBondContact NE-OG 3.02Å; R361-I783 PolarHBondContact N-O 3.15Å; R361-M784 HydrophobicContact CB-CG 4.24Å; R361-M784 HydrophobicContact CB-SD 4.25Å; R361-A785 PolarHBondContact O-N 2.83Å
362V91Very high89Confident5 Ų526.4 Ų26.43%0.0313%0.131CC..EExtended strand (participates in β ladder)trans-120.9135.5-178.2-166.80000109.5C350 V351 V360 L364 C367 T787C350-V362 CarbonylContact C-O 3.58Å; C350-V362 WeakPolarHBondContact CA-O 3.14Å; C350-V362 WeakPolarHBondContact CB-O 3.44Å; V351-V362 PolarHBondContact N-O 3.18Å; V351-V362 PolarHBondContact O-N 2.93Å; V360-V362 HydrophobicContact CG2-CG2 3.88Å; V362-L364 PolarHBondContact O-N 3.13Å; V362-C367 WeakPolarHBondContact CG1-SG 3.27Å; V362-T787 HydrophobicContact CG1-CG2 3.26Å
363P91.4Very high88.9Confident22 Ų2230.5 Ų30.514%0.14315%0.15CC..EExtended strand (participates in β ladder)trans-57.8123.7-179.6-26.434.9000112.7V365 K366 C367 A785P363-V365 VanDerWaalsContact C-N 3.32Å; P363-V365 PolarHBondContact O-N 3.46Å; P363-K366 HydrophobicContact CB-CB 4.35Å; P363-K366 HydrophobicContact CB-CD 4.44Å; P363-K366 HydrophobicContact CB-CG 4.11Å; P363-K366 PolarHBondContact O-N 2.89Å; P363-C367 PolarHBondContact O-N 3.4Å; P363-C367 PolarHBondContact O-SG 2.92Å; P363-A785 WeakPolarHBondContact CD-O 3.4Å
364L89.5Confident89Confident0 Ų030.7 Ų30.70%015%0.152CC..Hα-helixtrans-56.7-45.3-174.6171.762.4000112.3L136 N140 S349 V351 V362 K366 C367 V368L136-L364 HydrophobicContact CB-CD1 3.89Å; N140-L364 HydrophobicContact CB-CD2 3.72Å; N140-L364 HydrophobicContact CB-CG 4.12Å; S349-L364 WeakPolarHBondContact O-CB 3.48Å; S349-L364 PolarHBondContact O-N 2.98Å; V351-L364 HydrophobicContact CG2-CB 4.04Å; V351-L364 HydrophobicContact CG2-CD1 3.33Å; V351-L364 HydrophobicContact CG2-CG 4.26Å; V362-L364 PolarHBondContact O-N 3.13Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 2.95Å; L364-C367 PolarHBondContact O-N 3.23Å; L364-V368 HydrophobicContact CD1-CG2 4.07Å; L364-V368 WeakPolarHBondContact O-CG2 3.23Å; L364-V368 PolarHBondContact O-N 3.25Å; L364-V368 VanDerWaalsContact O-N 3.07Å
365V88Confident89.1Confident61 Ų6132.6 Ų32.637%0.3717%0.169SC..Hα-helixtrans-57.1-48.1-179.6-179.60000110.8N140 P363 C367 V368 D369N140-V365 VanDerWaalsContact OD1-CG2 3.31Å; N140-V365 WeakPolarHBondContact OD1-CG2 3.38Å; P363-V365 VanDerWaalsContact C-N 3.32Å; P363-V365 PolarHBondContact O-N 3.46Å; V365-C367 PolarHBondContact O-N 2.97Å; V365-V368 PolarHBondContact O-N 3.24Å; V365-D369 VanDerWaalsContact O-CG 3.3Å; V365-D369 PolarHBondContact O-N 3.06Å
366K88.8Confident89.5Confident91 Ų9137.1 Ų37.140%0.39619%0.189SC..Hα-helixtrans-65.5-38.6-177.4-63.7-162.2-179.3-166.80112.3P363 L364 D369 R370 T787 D788P363-K366 HydrophobicContact CB-CB 4.35Å; P363-K366 HydrophobicContact CB-CD 4.44Å; P363-K366 HydrophobicContact CB-CG 4.11Å; P363-K366 PolarHBondContact O-N 2.89Å; L364-K366 VanDerWaalsContact C-N 3.33Å; L364-K366 PolarHBondContact O-N 2.95Å; K366-D369 PolarHBondContact O-N 3.39Å; K366-R370 WeakPolarHBondContact O-CB 3.34Å; K366-R370 PolarHBondContact O-N 2.71Å; K366-T787 HydrophobicContact CB-CG2 3.48Å; K366-T787 VanDerWaalsContact CB-CG2 3.48Å; K366-T787 HydrophobicContact CD-CG2 4.18Å; K366-T787 WeakPolarHBondContact CD-OG1 3.27Å; K366-T787 HydrophobicContact CG-CG2 4.48Å; K366-D788 IonicContact NZ-OD2 2.94Å
367C88.3Confident90Very high0 Ų036.6 Ų36.60%018%0.183CC..Hα-helixtrans-64.4-42.4175.8-63.60000112.2F183 C184 V362 P363 L364 V365 T371F183-C367 HydrophobicContact CD1-CB 4.36Å; F183-C367 HydrophobicContact CE1-CB 3.38Å; F183-C367 HydrophobicContact CZ-CB 3.49Å; F183-C367 VanDerWaalsContact CZ-CB 3.49Å; C184-C367 VanDerWaalsContact O-CB 3.27Å; C184-C367 WeakPolarHBondContact O-CB 3.3Å; V362-C367 WeakPolarHBondContact CG1-SG 3.27Å; P363-C367 PolarHBondContact O-N 3.4Å; P363-C367 PolarHBondContact O-SG 2.92Å; L364-C367 PolarHBondContact O-N 3.23Å; V365-C367 PolarHBondContact O-N 2.97Å; C367-T371 WeakPolarHBondContact O-CB 3.39Å; C367-T371 PolarHBondContact O-N 2.97Å; C367-T371 PolarHBondContact O-OG1 3.38Å
368V87.2Confident90.4Very high5 Ų537.1 Ų37.13%0.0319%0.185CC..Hα-helixtrans-64.3-45.1177.4171.10000110.6T137 F183 L364 V365 T371 R372T137-V368 HydrophobicContact CG2-CG1 4.16Å; T137-V368 WeakPolarHBondContact OG1-CG1 3.32Å; F183-V368 HydrophobicContact CE2-CG2 4.35Å; F183-V368 HydrophobicContact CZ-CG2 4.44Å; L364-V368 HydrophobicContact CD1-CG2 4.07Å; L364-V368 WeakPolarHBondContact O-CG2 3.23Å; L364-V368 PolarHBondContact O-N 3.25Å; L364-V368 VanDerWaalsContact O-N 3.07Å; V365-V368 PolarHBondContact O-N 3.24Å; V368-T371 PolarHBondContact O-N 3.07Å; V368-R372 WeakPolarHBondContact O-CG 3.4Å; V368-R372 PolarHBondContact O-N 3.09Å
369D89.4Confident90.8Very high66 Ų6644 Ų4435%0.35322%0.215SC..Hα-helixtrans-63.4-45.4179.2-69.4-22.5000111.5V365 K366 T371 R372 Q373V365-D369 VanDerWaalsContact O-CG 3.3Å; V365-D369 PolarHBondContact O-N 3.06Å; K366-D369 PolarHBondContact O-N 3.39Å; D369-T371 VanDerWaalsContact C-N 3.3Å; D369-T371 PolarHBondContact O-N 3.26Å; D369-R372 WeakPolarHBondContact O-CB 3.21Å; D369-R372 PolarHBondContact O-N 3.34Å; D369-R372 VanDerWaalsContact O-N 3.16Å; D369-R372 IonicContact OD1-NH1 2.99Å; D369-Q373 WeakPolarHBondContact O-CG 3.36Å; D369-Q373 PolarHBondContact O-N 3.38Å
370R89.9Confident91.2Very high49 Ų4947.5 Ų47.519%0.18524%0.244CC..Hα-helixtrans-61.6-38.4175.7-169.2173173.5154.45.5112.2C184 K366 R372 Q373 V374 E388 L389 T787C184-R370 HydrophobicContact CB-CB 3.9Å; C184-R370 HydrophobicContact CB-CG 3.72Å; K366-R370 WeakPolarHBondContact O-CB 3.34Å; K366-R370 PolarHBondContact O-N 2.71Å; R370-R372 VanDerWaalsContact C-N 3.34Å; R370-R372 PolarHBondContact O-N 2.95Å; R370-Q373 WeakPolarHBondContact O-CB 3.3Å; R370-Q373 PolarHBondContact O-N 3.44Å; R370-V374 PolarHBondContact O-N 3.48Å; R370-E388 PolarHBondContact NH2-O 3.47Å; R370-L389 HydrophobicContact CG-CD2 3.95Å; R370-L389 PolarHBondContact NE-O 2.64Å; R370-L389 PolarHBondContact NH2-O 3.46Å; R370-T787 PolarHBondContact NH1-O 3.19Å
371T88.9Confident91.4Very high18 Ų1850.2 Ų50.211%0.1126%0.262CS..Hα-helixtrans-66.2-36.3176.5-54.90000111.8D133 C184 C367 V368 D369 V374D133-T371 HydrophobicContact CB-CG2 4.38Å; C184-T371 WeakPolarHBondContact CB-OG1 3.48Å; C184-T371 PolarHBondContact N-OG1 2.91Å; C367-T371 WeakPolarHBondContact O-CB 3.39Å; C367-T371 PolarHBondContact O-N 2.97Å; C367-T371 PolarHBondContact O-OG1 3.38Å; V368-T371 PolarHBondContact O-N 3.07Å; D369-T371 VanDerWaalsContact C-N 3.3Å; D369-T371 PolarHBondContact O-N 3.26Å; T371-V374 PolarHBondContact O-N 3.16Å
372R89.3Confident91.6Very high130 Ų13053.7 Ų53.749%0.49128%0.281SS..Hα-helixtrans-66.5-41173.4-71.5171.4177.5175.7-4.1112.2T137 V368 D369 R370 V374 A375 E376T137-R372 VanDerWaalsContact CG2-NH2 3.26Å; V368-R372 WeakPolarHBondContact O-CG 3.4Å; V368-R372 PolarHBondContact O-N 3.09Å; D369-R372 WeakPolarHBondContact O-CB 3.21Å; D369-R372 PolarHBondContact O-N 3.34Å; D369-R372 VanDerWaalsContact O-N 3.16Å; D369-R372 IonicContact OD1-NH1 2.99Å; R370-R372 VanDerWaalsContact C-N 3.34Å; R370-R372 PolarHBondContact O-N 2.95Å; R372-V374 PolarHBondContact O-N 3Å; R372-A375 WeakPolarHBondContact O-CB 3.41Å; R372-A375 PolarHBondContact O-N 3.45Å; R372-E376 PolarHBondContact O-N 3.4Å
373Q93.6Very high91.8Very high86 Ų8654.7 Ų54.740%0.40229%0.285SS..Hα-helixtrans-58.7-34.9176.6-70.3167.91900112D369 R370 A375 E376 A377 L389D369-Q373 WeakPolarHBondContact O-CG 3.36Å; D369-Q373 PolarHBondContact O-N 3.38Å; R370-Q373 WeakPolarHBondContact O-CB 3.3Å; R370-Q373 PolarHBondContact O-N 3.44Å; Q373-A375 PolarHBondContact O-N 3.32Å; Q373-E376 PolarHBondContact O-N 3Å; Q373-A377 WeakPolarHBondContact O-CB 3.49Å; Q373-A377 PolarHBondContact O-N 3.31Å; Q373-L389 HydrophobicContact CB-CD1 3.78Å; Q373-L389 HydrophobicContact CB-CD2 4.31Å
374V93.2Very high92Very high4 Ų460.3 Ų60.32%0.02431%0.314CS..Hα-helixtrans-59-48.8172.91770000110.4R370 T371 R372 E376 A377 M378 L389R370-V374 PolarHBondContact O-N 3.48Å; T371-V374 PolarHBondContact O-N 3.16Å; R372-V374 PolarHBondContact O-N 3Å; V374-E376 VanDerWaalsContact C-N 3.25Å; V374-E376 PolarHBondContact O-N 3.01Å; V374-A377 PolarHBondContact O-N 3.24Å; V374-M378 HydrophobicContact CG1-CG 4.28Å; V374-M378 WeakPolarHBondContact O-CB 3.37Å; V374-M378 WeakPolarHBondContact O-CG 3.38Å; V374-M378 PolarHBondContact O-N 3.46Å; V374-L389 HydrophobicContact CG2-CB 3.51Å; V374-L389 HydrophobicContact CG2-CD1 4.14Å; V374-L389 HydrophobicContact CG2-CG 4.47Å
375A91.9Very high92.3Very high49 Ų4963.6 Ų63.641%0.40533%0.329SS..Hα-helixtrans-63.9-32.5179.900000112.5R372 Q373 K379R372-A375 WeakPolarHBondContact O-CB 3.41Å; R372-A375 PolarHBondContact O-N 3.45Å; Q373-A375 PolarHBondContact O-N 3.32Å; A375-K379 VanDerWaalsContact O-CG 3.27Å; A375-K379 WeakPolarHBondContact O-CG 3.26Å; A375-K379 PolarHBondContact O-N 3.2Å
376E95.2Very high92.6Very high123 Ų12360.7 Ų60.758%0.57531%0.311SS*.Hα-helixtrans-70.1-47.9174.9-69.1170.5176.600111.8R372 Q373 V374 M378 K379 A380R372-E376 PolarHBondContact O-N 3.4Å; Q373-E376 PolarHBondContact O-N 3Å; V374-E376 VanDerWaalsContact C-N 3.25Å; V374-E376 PolarHBondContact O-N 3.01Å; E376-M378 VanDerWaalsContact C-N 3.32Å; E376-M378 PolarHBondContact O-N 3.42Å; E376-K379 PolarHBondContact O-N 3.04Å; E376-K379 VanDerWaalsContact O-N 3.13Å; E376-A380 WeakPolarHBondContact O-CB 3.19Å; E376-A380 PolarHBondContact O-N 3.39Å
377A95.6Very high92.9Very high8 Ų857.2 Ų57.27%0.06630%0.298CS..Hα-helixtrans-58.1-44.617600000111.4Q373 V374 K379 A380 C381 D382 A386 L389Q373-A377 WeakPolarHBondContact O-CB 3.49Å; Q373-A377 PolarHBondContact O-N 3.31Å; V374-A377 PolarHBondContact O-N 3.24Å; A377-K379 VanDerWaalsContact C-N 3.35Å; A377-K379 PolarHBondContact O-N 3.45Å; A377-A380 CarbonylContact O-C 3.5Å; A377-A380 PolarHBondContact O-N 3.45Å; A377-A380 VanDerWaalsContact O-N 3.16Å; A377-C381 PolarHBondContact O-N 2.96Å; A377-D382 PolarHBondContact O-N 2.83Å; A377-A386 HydrophobicContact CB-CB 4.09Å; A377-L389 HydrophobicContact CB-CD1 4.3Å
378M93.9Very high93.1Very high24 Ų2462 Ų6212%0.11832%0.32CS..Hα-helixtrans-60.6-39.9175.5-70.8-54.6-67.800113P245 I281 V374 E376 A380 C381 F383 A386P245-M378 VanDerWaalsContact C-CE 3.44Å; P245-M378 HydrophobicContact CB-CE 3.82Å; P245-M378 WeakPolarHBondContact O-CE 3.27Å; I281-M378 HydrophobicContact CD1-CE 3.91Å; V374-M378 HydrophobicContact CG1-CG 4.28Å; V374-M378 WeakPolarHBondContact O-CB 3.37Å; V374-M378 WeakPolarHBondContact O-CG 3.38Å; V374-M378 PolarHBondContact O-N 3.46Å; E376-M378 VanDerWaalsContact C-N 3.32Å; E376-M378 PolarHBondContact O-N 3.42Å; M378-A380 VanDerWaalsContact C-N 3.34Å; M378-C381 PolarHBondContact O-N 3.1Å; M378-F383 HydrophobicContact CE-CD1 3.91Å; M378-F383 HydrophobicContact CE-CE1 4.05Å; M378-F383 HydrophobicContact SD-CD1 3.88Å; M378-F383 HydrophobicContact SD-CE1 4.43Å; M378-A386 HydrophobicContact CG-CB 3.97Å; M378-A386 HydrophobicContact SD-CB 3.41Å; M378-A386 WeakPolarHBondContact SD-CB 3.4Å
379K92.8Very high93.4Very high173 Ų17362.2 Ų62.275%0.75232%0.321SS*.Hα-helixtrans-69.8-32.1175.9-75.6171-175.21750112.8A375 E376 A377 C381A375-K379 VanDerWaalsContact O-CG 3.27Å; A375-K379 WeakPolarHBondContact O-CG 3.26Å; A375-K379 PolarHBondContact O-N 3.2Å; E376-K379 PolarHBondContact O-N 3.04Å; E376-K379 VanDerWaalsContact O-N 3.13Å; A377-K379 VanDerWaalsContact C-N 3.35Å; A377-K379 PolarHBondContact O-N 3.45Å; K379-C381 PolarHBondContact O-N 2.94Å
380A95.1Very high93.4Very high77 Ų7761 Ų6164%0.63631%0.312SS*.THydrogen-bonded Turntrans-79.70.7177.300000113.4E376 A377 M378 D382E376-A380 WeakPolarHBondContact O-CB 3.19Å; E376-A380 PolarHBondContact O-N 3.39Å; A377-A380 CarbonylContact O-C 3.5Å; A377-A380 PolarHBondContact O-N 3.45Å; A377-A380 VanDerWaalsContact O-N 3.16Å; M378-A380 VanDerWaalsContact C-N 3.34Å; A380-D382 PolarHBondContact O-N 3.36Å
381C94.8Very high93.4Very high59 Ų5959.3 Ų59.340%0.39931%0.31SS..THydrogen-bonded Turntrans59.224.7-171.2-54.30000113.9C285 A377 M378 K379 F383C285-C381 PolarHBondContact SG-SG 3.01Å; A377-C381 PolarHBondContact O-N 2.96Å; M378-C381 PolarHBondContact O-N 3.1Å; K379-C381 PolarHBondContact O-N 2.94Å; C381-F383 HydrophobicContact CB-CE2 3.95Å; C381-F383 HydrophobicContact CB-CZ 3.77Å; C381-F383 WeakPolarHBondContact O-CD2 3.28Å; C381-F383 PolarHBondContact O-N 3.3Å
382D95.9Very high93.2Very high77 Ų7761.9 Ų61.941%0.41233%0.325SS..  trans-92.674.8174.5-170-6.2000110.1A377 A380 H385 A386A377-D382 PolarHBondContact O-N 2.83Å; A380-D382 PolarHBondContact O-N 3.36Å; D382-H385 HydrophobicContact CB-CB 4.45Å; D382-H385 VanDerWaalsContact CG-CB 3.47Å; D382-H385 WeakPolarHBondContact OD1-CB 3.08Å; D382-H385 PolarHBondContact OD1-N 3.42Å; D382-H385 WeakPolarHBondContact OD2-CB 3.26Å; D382-A386 PolarHBondContact O-N 2.69Å; D382-A386 VanDerWaalsContact O-N 3.13Å
383F95.7Very high93Very high27 Ų2757.3 Ų57.312%0.11831%0.313CS..Hα-helixtrans-71.1-32.8-172.9-52.1-59.5000112.9P248 I281 R283 M378 C381 A386 V387P248-F383 HydrophobicContact CB-CE2 4.38Å; P248-F383 HydrophobicContact CB-CZ 4.44Å; P248-F383 HydrophobicContact CG-CD1 3.67Å; P248-F383 HydrophobicContact CG-CD2 3.92Å; P248-F383 HydrophobicContact CG-CE1 3.57Å; P248-F383 HydrophobicContact CG-CE2 3.81Å; P248-F383 HydrophobicContact CG-CG 3.86Å; P248-F383 HydrophobicContact CG-CZ 3.64Å; I281-F383 HydrophobicContact CD1-CE1 4.17Å; R283-F383 HydrophobicContact CG-CE2 4.42Å; M378-F383 HydrophobicContact CE-CD1 3.91Å; M378-F383 HydrophobicContact CE-CE1 4.05Å; M378-F383 HydrophobicContact SD-CD1 3.88Å; M378-F383 HydrophobicContact SD-CE1 4.43Å; C381-F383 HydrophobicContact CB-CE2 3.95Å; C381-F383 HydrophobicContact CB-CZ 3.77Å; C381-F383 WeakPolarHBondContact O-CD2 3.28Å; C381-F383 PolarHBondContact O-N 3.3Å; F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.26Å; F383-V387 WeakPolarHBondContact O-CG2 3.42Å; F383-V387 PolarHBondContact O-N 2.89Å
384D95Very high93Very high140 Ų14053.6 Ų53.675%0.74930%0.296SS*.Hα-helixtrans-65.2-43.4178.5-70.4-28.3000110.5V387 E388D384-V387 PolarHBondContact O-N 3.48Å; D384-E388 PolarHBondContact O-N 2.96Å
385H95.2Very high92.9Very high69 Ų6956.6 Ų56.632%0.31931%0.31SS..Hα-helixtrans-67.8-36.6174.6-169.151.3000112.2D382 V387 E388 L389D382-H385 HydrophobicContact CB-CB 4.45Å; D382-H385 VanDerWaalsContact CG-CB 3.47Å; D382-H385 WeakPolarHBondContact OD1-CB 3.08Å; D382-H385 PolarHBondContact OD1-N 3.42Å; D382-H385 WeakPolarHBondContact OD2-CB 3.26Å; H385-V387 VanDerWaalsContact C-N 3.31Å; H385-V387 PolarHBondContact O-N 2.86Å; H385-E388 IonicContact CE1-OE2 2.62Å; H385-E388 IonicContact ND1-OE2 3.13Å; H385-E388 PolarHBondContact ND1-OE2 3.18Å; H385-E388 VanDerWaalsContact ND1-OE2 3.11Å; H385-E388 WeakPolarHBondContact O-CB 3.38Å; H385-E388 PolarHBondContact O-N 3.49Å; H385-L389 WeakPolarHBondContact O-CB 3.31Å; H385-L389 VanDerWaalsContact O-CG 3.26Å; H385-L389 WeakPolarHBondContact O-CG 3.47Å; H385-L389 PolarHBondContact O-N 3.49Å
386A95.1Very high92.8Very high0 Ų057.9 Ų57.90%031%0.31CS..Hα-helixtrans-59.4-42.1173.600000112A377 M378 D382 F383 L389 R390A377-A386 HydrophobicContact CB-CB 4.09Å; M378-A386 HydrophobicContact CG-CB 3.97Å; M378-A386 HydrophobicContact SD-CB 3.41Å; M378-A386 WeakPolarHBondContact SD-CB 3.4Å; D382-A386 PolarHBondContact O-N 2.69Å; D382-A386 VanDerWaalsContact O-N 3.13Å; F383-A386 WeakPolarHBondContact O-CB 3.41Å; F383-A386 PolarHBondContact O-N 3.26Å; A386-L389 PolarHBondContact O-N 2.82Å; A386-R390 WeakPolarHBondContact O-CG 3.33Å; A386-R390 PolarHBondContact O-N 3.45Å; A386-R390 VanDerWaalsContact O-N 3.08Å
387V94.9Very high92.7Very high18 Ų1852 Ų5211%0.10928%0.283CS..Hα-helixtrans-63.5-42.7175.11660000111.8E246 F383 D384 H385 L389 R390 G391 F394 M395 L398E246-V387 HydrophobicContact CB-CG2 3.79Å; E246-V387 WeakPolarHBondContact O-CG2 3.2Å; F383-V387 WeakPolarHBondContact O-CG2 3.42Å; F383-V387 PolarHBondContact O-N 2.89Å; D384-V387 PolarHBondContact O-N 3.48Å; H385-V387 VanDerWaalsContact C-N 3.31Å; H385-V387 PolarHBondContact O-N 2.86Å; V387-L389 VanDerWaalsContact C-N 3.35Å; V387-R390 PolarHBondContact O-N 3.01Å; V387-G391 PolarHBondContact O-N 2.99Å; V387-F394 HydrophobicContact CG1-CD1 4.48Å; V387-F394 HydrophobicContact CG2-CE1 4.39Å; V387-M395 HydrophobicContact CG1-CG 3.56Å; V387-M395 HydrophobicContact CG1-SD 4.38Å; V387-L398 HydrophobicContact CG1-CD2 4.21Å; V387-L398 HydrophobicContact CG2-CD2 4.07Å
388E93.7Very high92.6Very high99 Ų9952.4 Ų52.446%0.46328%0.284SS..Hα-helixtrans-61-43.9175-175.3-173-171.700111.6R370 D384 H385 R390 G391R370-E388 PolarHBondContact NH2-O 3.47Å; D384-E388 PolarHBondContact O-N 2.96Å; H385-E388 IonicContact CE1-OE2 2.62Å; H385-E388 IonicContact ND1-OE2 3.13Å; H385-E388 PolarHBondContact ND1-OE2 3.18Å; H385-E388 VanDerWaalsContact ND1-OE2 3.11Å; H385-E388 WeakPolarHBondContact O-CB 3.38Å; H385-E388 PolarHBondContact O-N 3.49Å; E388-R390 VanDerWaalsContact C-N 3.34Å; E388-R390 PolarHBondContact O-N 2.82Å; E388-G391 WeakPolarHBondContact O-CA 3.49Å; E388-G391 PolarHBondContact O-N 3.21Å
389L92Very high92.6Very high11 Ų1154 Ų546%0.05830%0.301CS..Hα-helixtrans-63.9-36.9179.8-73.4170.2000112.4R370 Q373 V374 A377 H385 A386 V387 G391R370-L389 HydrophobicContact CG-CD2 3.95Å; R370-L389 PolarHBondContact NE-O 2.64Å; R370-L389 PolarHBondContact NH2-O 3.46Å; Q373-L389 HydrophobicContact CB-CD1 3.78Å; Q373-L389 HydrophobicContact CB-CD2 4.31Å; V374-L389 HydrophobicContact CG2-CB 3.51Å; V374-L389 HydrophobicContact CG2-CD1 4.14Å; V374-L389 HydrophobicContact CG2-CG 4.47Å; A377-L389 HydrophobicContact CB-CD1 4.3Å; H385-L389 WeakPolarHBondContact O-CB 3.31Å; H385-L389 VanDerWaalsContact O-CG 3.26Å; H385-L389 WeakPolarHBondContact O-CG 3.47Å; H385-L389 PolarHBondContact O-N 3.49Å; A386-L389 PolarHBondContact O-N 2.82Å; V387-L389 VanDerWaalsContact C-N 3.35Å; L389-G391 PolarHBondContact O-N 3.41Å
390R90.8Very high92.5Very high40 Ų4046.3 Ų46.315%0.15127%0.268CS..Hα-helixtrans-59.8-29.4172.5-70-68.5-167.6-152.7-2.7112.8D182 H225 E246 A386 V387 E388 F394D182-R390 PolarHBondContact O-NH1 2.98Å; H225-R390 PolarHBondContact O-NH2 2.98Å; E246-R390 HydrophobicContact CG-CG 4.32Å; E246-R390 IonicContact OE1-CZ 3.65Å; E246-R390 IonicContact OE1-NE 2.74Å; E246-R390 PolarHBondContact OE1-NE 3.23Å; E246-R390 IonicContact OE1-NH2 3.79Å; E246-R390 PolarHBondContact OE1-NH2 3.28Å; A386-R390 WeakPolarHBondContact O-CG 3.33Å; A386-R390 PolarHBondContact O-N 3.45Å; A386-R390 VanDerWaalsContact O-N 3.08Å; V387-R390 PolarHBondContact O-N 3.01Å; E388-R390 VanDerWaalsContact C-N 3.34Å; E388-R390 PolarHBondContact O-N 2.82Å; R390-F394 HydrophobicContact CB-CB 3.8Å; R390-F394 HydrophobicContact CB-CD1 4.29Å; R390-F394 HydrophobicContact CB-CD2 4.26Å; R390-F394 HydrophobicContact CB-CG 3.87Å; R390-F394 HydrophobicContact CG-CD2 4.39Å; R390-F394 HydrophobicContact CG-CG 4.33Å
391G88.3Confident92.4Very high14 Ų1443.4 Ų43.414%0.14424%0.241CC..  trans102.1175.517200000115.2V387 E388 L389 S393 F394 M395V387-G391 PolarHBondContact O-N 2.99Å; E388-G391 WeakPolarHBondContact O-CA 3.49Å; E388-G391 PolarHBondContact O-N 3.21Å; L389-G391 PolarHBondContact O-N 3.41Å; G391-S393 VanDerWaalsContact C-N 3.34Å; G391-S393 PolarHBondContact O-N 3.21Å; G391-F394 PolarHBondContact O-N 2.94Å; G391-M395 PolarHBondContact O-N 3.29Å; G391-M395 VanDerWaalsContact O-N 3.14Å
392T85.5Confident92.2Very high72 Ų7243.7 Ų43.744%0.44224%0.238SC..Hα-helixtrans-61.8-36.8-168.3-43.50000114F394 M395 N396T392-F394 PolarHBondContact O-N 3.47Å; T392-M395 PolarHBondContact O-N 3.31Å; T392-N396 WeakPolarHBondContact O-CB 3.48Å; T392-N396 VanDerWaalsContact O-CG 3.25Å; T392-N396 PolarHBondContact O-N 2.84Å; T392-N396 PolarHBondContact O-ND2 2.76Å
393S85.9Confident91.8Very high33 Ų3342.2 Ų42.223%0.23123%0.228CC..Hα-helixtrans-58.9-47.5176.7-1780000111.5G391 N396 N397G391-S393 VanDerWaalsContact C-N 3.34Å; G391-S393 PolarHBondContact O-N 3.21Å; S393-N396 PolarHBondContact O-N 2.89Å; S393-N397 VanDerWaalsContact O-CG 3.26Å; S393-N397 PolarHBondContact O-N 3.3Å; S393-N397 VanDerWaalsContact O-N 3.12Å; S393-N397 PolarHBondContact O-ND2 3.47Å
394F92Very high91.3Very high8 Ų842 Ų424%0.03523%0.228CC..Hα-helixtrans-63.7-47.5177.9-166.5-80.6000111.4Y228 L231 I244 E246 V387 R390 G391 T392 N396 N397 L398Y228-F394 HydrophobicContact CD2-CD2 4.08Å; L231-F394 HydrophobicContact CD2-CD1 4.45Å; L231-F394 HydrophobicContact CD2-CE1 4.11Å; L231-F394 HydrophobicContact CD2-CE2 4.24Å; L231-F394 HydrophobicContact CD2-CZ 4Å; I244-F394 HydrophobicContact CD1-CZ 4.23Å; E246-F394 HydrophobicContact CB-CE1 3.83Å; E246-F394 HydrophobicContact CB-CZ 3.85Å; E246-F394 HydrophobicContact CG-CE1 4.03Å; E246-F394 HydrophobicContact CG-CZ 3.74Å; V387-F394 HydrophobicContact CG1-CD1 4.48Å; V387-F394 HydrophobicContact CG2-CE1 4.39Å; R390-F394 HydrophobicContact CB-CB 3.8Å; R390-F394 HydrophobicContact CB-CD1 4.29Å; R390-F394 HydrophobicContact CB-CD2 4.26Å; R390-F394 HydrophobicContact CB-CG 3.87Å; R390-F394 HydrophobicContact CG-CD2 4.39Å; R390-F394 HydrophobicContact CG-CG 4.33Å; G391-F394 PolarHBondContact O-N 2.94Å; T392-F394 PolarHBondContact O-N 3.47Å; F394-N396 VanDerWaalsContact C-N 3.32Å; F394-N396 PolarHBondContact O-N 3.33Å; F394-N397 PolarHBondContact O-N 2.65Å; F394-L398 HydrophobicContact CE1-CD2 4.5Å; F394-L398 PolarHBondContact O-N 3.34Å
395M92.1Very high90.7Very high68 Ų6836.9 Ų36.934%0.33520%0.203SC..Hα-helixtrans-56.3-45.3177.6-71-166.3-7300112.4V387 G391 T392 N397 L398 A399V387-M395 HydrophobicContact CG1-CG 3.56Å; V387-M395 HydrophobicContact CG1-SD 4.38Å; G391-M395 PolarHBondContact O-N 3.29Å; G391-M395 VanDerWaalsContact O-N 3.14Å; T392-M395 PolarHBondContact O-N 3.31Å; M395-N397 PolarHBondContact O-N 2.9Å; M395-L398 PolarHBondContact O-N 3.44Å; M395-A399 WeakPolarHBondContact O-CB 3.35Å; M395-A399 PolarHBondContact O-N 3.48Å
396N90Very high89.9Confident75 Ų7539.3 Ų39.340%0.40121%0.213SC..Hα-helixtrans-64.4-39.5179.2-76.3-26.1000112.3T392 S393 F394 T400T392-N396 WeakPolarHBondContact O-CB 3.48Å; T392-N396 VanDerWaalsContact O-CG 3.25Å; T392-N396 PolarHBondContact O-N 2.84Å; T392-N396 PolarHBondContact O-ND2 2.76Å; S393-N396 PolarHBondContact O-N 2.89Å; F394-N396 VanDerWaalsContact C-N 3.32Å; F394-N396 PolarHBondContact O-N 3.33Å; N396-T400 WeakPolarHBondContact O-CB 3.48Å; N396-T400 PolarHBondContact O-N 2.95Å; N396-T400 PolarHBondContact O-OG1 3.46Å
397N92.9Very high88.7Confident1 Ų141.1 Ų41.11%0.00522%0.222CC..Hα-helixtrans-63.6-45.8174.7-66.5-23.3000110.6L231 M235 S393 F394 M395 T400 Y401 K696L231-N397 HydrophobicContact CD2-CB 3.77Å; L231-N397 HydrophobicContact CG-CB 4.15Å; M235-N397 HydrophobicContact SD-CB 3.95Å; M235-N397 VanDerWaalsContact SD-O 3.34Å; S393-N397 VanDerWaalsContact O-CG 3.26Å; S393-N397 PolarHBondContact O-N 3.3Å; S393-N397 VanDerWaalsContact O-N 3.12Å; S393-N397 PolarHBondContact O-ND2 3.47Å; F394-N397 PolarHBondContact O-N 2.65Å; M395-N397 PolarHBondContact O-N 2.9Å; N397-T400 PolarHBondContact O-N 2.79Å; N397-Y401 WeakPolarHBondContact O-CB 3.44Å; N397-Y401 PolarHBondContact O-N 3.45Å; N397-K696 WeakPolarHBondContact OD1-CE 3.48Å; N397-K696 PolarHBondContact OD1-NZ 3.29Å
398L94.1Very high87.3Confident16 Ų1648 Ų488%0.08425%0.253CS..Hα-helixtrans-62.2-48.3-179.5-173.259.9000111.5L231 I244 M247 V387 F394 M395 T400 Y401 I402L231-L398 HydrophobicContact CD1-CD1 4.16Å; L231-L398 HydrophobicContact CD2-CB 4.14Å; L231-L398 HydrophobicContact CD2-CD1 4.42Å; I244-L398 HydrophobicContact CD1-CD1 3.82Å; M247-L398 HydrophobicContact CB-CD1 4.3Å; M247-L398 HydrophobicContact CB-CD2 4.39Å; M247-L398 HydrophobicContact CE-CD1 4.09Å; M247-L398 HydrophobicContact SD-CD1 3.76Å; M247-L398 HydrophobicContact SD-CD2 4.48Å; M247-L398 HydrophobicContact SD-CG 4.39Å; V387-L398 HydrophobicContact CG1-CD2 4.21Å; V387-L398 HydrophobicContact CG2-CD2 4.07Å; F394-L398 HydrophobicContact CE1-CD2 4.5Å; F394-L398 PolarHBondContact O-N 3.34Å; M395-L398 PolarHBondContact O-N 3.44Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 3.23Å; L398-Y401 PolarHBondContact O-N 2.99Å; L398-I402 HydrophobicContact CD1-CD1 4.28Å; L398-I402 HydrophobicContact CG-CD1 3.99Å; L398-I402 VanDerWaalsContact O-CG1 3.3Å; L398-I402 WeakPolarHBondContact O-CG1 3.33Å; L398-I402 PolarHBondContact O-N 2.71Å
399A92.5Very high85.9Confident57 Ų5750.7 Ų50.747%0.47127%0.265SS..Hα-helixtrans-59.2-42.3176.600000112M395 K403M395-A399 WeakPolarHBondContact O-CB 3.35Å; M395-A399 PolarHBondContact O-N 3.48Å; A399-K403 WeakPolarHBondContact O-CB 3.33Å; A399-K403 PolarHBondContact O-N 2.78Å
400T90.6Very high84.4Confident12 Ų1251.9 Ų51.97%0.07427%0.274CS..Hα-helixtrans-65.3-45.5178.4-57.40000111.3M235 N396 N397 L398 K403 L404 T695 K696M235-T400 HydrophobicContact CE-CG2 3.59Å; N396-T400 WeakPolarHBondContact O-CB 3.48Å; N396-T400 PolarHBondContact O-N 2.95Å; N396-T400 PolarHBondContact O-OG1 3.46Å; N397-T400 PolarHBondContact O-N 2.79Å; L398-T400 VanDerWaalsContact C-N 3.31Å; L398-T400 PolarHBondContact O-N 3.23Å; T400-K403 PolarHBondContact O-N 2.82Å; T400-L404 HydrophobicContact CG2-CD1 3.81Å; T400-L404 WeakPolarHBondContact O-CD1 3.48Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 3.37Å; T400-L404 VanDerWaalsContact O-N 3.07Å; T400-T695 HydrophobicContact CG2-CG2 4.42Å; T400-K696 HydrophobicContact CG2-CG 4.3Å
401Y92.9Very high83Confident16 Ų1661 Ų616%0.06331%0.308CS..Hα-helixtrans-59.2-50.7176169.7-97.7000111.7L231 M235 W241 V242 N397 L398 K403 L404 S405L231-Y401 HydrophobicContact CD1-CD1 4.26Å; L231-Y401 HydrophobicContact CD1-CG 3.93Å; M235-Y401 HydrophobicContact CG-CD2 4.44Å; W241-Y401 WeakPolarHBondContact CA-OH 3.38Å; V242-Y401 HydrophobicContact CB-CE1 4.49Å; V242-Y401 HydrophobicContact CB-CE2 4.34Å; V242-Y401 HydrophobicContact CG1-CD1 4.01Å; V242-Y401 HydrophobicContact CG1-CE1 3.39Å; V242-Y401 HydrophobicContact CG1-CE2 3.95Å; V242-Y401 PolarHBondContact N-OH 3.24Å; N397-Y401 WeakPolarHBondContact O-CB 3.44Å; N397-Y401 PolarHBondContact O-N 3.45Å; L398-Y401 PolarHBondContact O-N 2.99Å; Y401-K403 VanDerWaalsContact C-N 3.26Å; Y401-K403 PolarHBondContact O-N 2.91Å; Y401-L404 PolarHBondContact O-N 2.99Å; Y401-S405 WeakPolarHBondContact O-CB 3.45Å; Y401-S405 PolarHBondContact O-N 2.86Å
402I91Very high82Confident65 Ų6569.6 Ų69.633%0.33335%0.345SS..Hα-helixtrans-56.5-44.8179.5-69.2166.9000110.3M247 L398 L404 S405M247-I402 HydrophobicContact SD-CD1 3.77Å; M247-I402 HydrophobicContact SD-CG1 4.12Å; L398-I402 HydrophobicContact CD1-CD1 4.28Å; L398-I402 HydrophobicContact CG-CD1 3.99Å; L398-I402 VanDerWaalsContact O-CG1 3.3Å; L398-I402 WeakPolarHBondContact O-CG1 3.33Å; L398-I402 PolarHBondContact O-N 2.71Å; I402-L404 PolarHBondContact O-N 3.15Å; I402-S405 WeakPolarHBondContact O-CB 3.43Å; I402-S405 PolarHBondContact O-N 3.37Å; I402-S405 PolarHBondContact O-OG 3.01Å
403K88.1Confident81.4Confident46 Ų4668.5 Ų68.520%0.234%0.34CS..Hα-helixtrans-61.4-45.2-179.6-165.7-171.4177.3-172.10112.2A399 T400 Y401 S405 L442 S699 D703A399-K403 WeakPolarHBondContact O-CB 3.33Å; A399-K403 PolarHBondContact O-N 2.78Å; T400-K403 PolarHBondContact O-N 2.82Å; Y401-K403 VanDerWaalsContact C-N 3.26Å; Y401-K403 PolarHBondContact O-N 2.91Å; K403-S405 VanDerWaalsContact C-N 3.27Å; K403-S405 PolarHBondContact O-N 2.76Å; K403-L442 HydrophobicContact CD-CD1 4.23Å; K403-L442 HydrophobicContact CD-CD2 4.09Å; K403-L442 HydrophobicContact CG-CD2 3.77Å; K403-S699 WeakPolarHBondContact CD-OG 3.21Å; K403-S699 PolarHBondContact NZ-O 3.11Å; K403-S699 PolarHBondContact NZ-OG 3.03Å; K403-D703 WeakPolarHBondContact CE-OD1 3.35Å; K403-D703 IonicContact NZ-OD1 2.77Å; K403-D703 PolarHBondContact NZ-OD1 2.97Å; K403-D703 IonicContact NZ-OD2 2.65Å; K403-D703 PolarHBondContact NZ-OD2 3.13Å
404L85.2Confident80.9Confident22 Ų2270.7 Ų70.712%0.11535%0.352CS..Hα-helixtrans-74.3-17.9178.8-69.9162.7000113.6T400 Y401 I402 K406 L442 T695T400-L404 HydrophobicContact CG2-CD1 3.81Å; T400-L404 WeakPolarHBondContact O-CD1 3.48Å; T400-L404 WeakPolarHBondContact O-CG 3.46Å; T400-L404 PolarHBondContact O-N 3.37Å; T400-L404 VanDerWaalsContact O-N 3.07Å; Y401-L404 PolarHBondContact O-N 2.99Å; I402-L404 PolarHBondContact O-N 3.15Å; L404-K406 VanDerWaalsContact C-N 3.29Å; L404-L442 HydrophobicContact CD2-CD1 3.72Å; L404-L442 HydrophobicContact CD2-CD2 3.92Å; L404-L442 HydrophobicContact CD2-CG 3.65Å; L404-L442 HydrophobicContact CG-CD1 4.41Å; L404-L442 HydrophobicContact CG-CD2 4.43Å; L404-T695 HydrophobicContact CD1-CG2 3.13Å
405S83.1Confident80.2Confident33 Ų3371.1 Ų71.123%0.23135%0.354CS..Hα-helixtrans-76.2-17.418081.60000113.2K260 Y401 I402 K403K260-S405 VanDerWaalsContact CE-O 3.23Å; K260-S405 WeakPolarHBondContact CE-O 3.5Å; K260-S405 PolarHBondContact NZ-O 3.47Å; K260-S405 VanDerWaalsContact NZ-O 3.09Å; Y401-S405 WeakPolarHBondContact O-CB 3.45Å; Y401-S405 PolarHBondContact O-N 2.86Å; I402-S405 WeakPolarHBondContact O-CB 3.43Å; I402-S405 PolarHBondContact O-N 3.37Å; I402-S405 PolarHBondContact O-OG 3.01Å; K403-S405 VanDerWaalsContact C-N 3.27Å; K403-S405 PolarHBondContact O-N 2.76Å
406K78.4Confident79.6Confident120 Ų12070.2 Ų70.252%0.52235%0.351SS..  trans-72.8127.7179.7-63.4-176.9-179.5-175.70110.3L404 W470L404-K406 VanDerWaalsContact C-N 3.29Å; K406-W470 WeakPolarHBondContact O-CH2 3.32Å
407I69.2Low79.4Confident37 Ų3772.5 Ų72.519%0.1936%0.363CS..  trans-100-15.8177.2-60.7174.4000111.2K260 N264 Q409 W470K260-I407 HydrophobicContact CD-CD1 4.29Å; K260-I407 HydrophobicContact CG-CD1 3.4Å; K260-I407 VanDerWaalsContact CG-CD1 3.4Å; K260-I407 HydrophobicContact CG-CG1 4.45Å; N264-I407 WeakPolarHBondContact OD1-CD1 3.37Å; I407-Q409 PolarHBondContact O-N 2.92Å; I407-W470 HydrophobicContact CG1-CZ2 4.43Å
408E65.1Low79.4Confident162 Ų16272.6 Ų72.676%0.75736%0.363SS*.PPolyproline II helixtrans-55.7128.5-169.5-69.9-175.4170.100112.4
409Q64.2Low79.6Confident157 Ų15775.6 Ų75.673%0.73437%0.374SS*.PPolyproline II helixtrans-67.2141169.2-69.2-171.65.500109.1I407 R411I407-Q409 PolarHBondContact O-N 2.92Å; Q409-R411 PolarHBondContact O-N 3.31Å
410P60.8Low79.8Confident36 Ų3672.9 Ų72.923%0.23435%0.351CS..PPolyproline II helixtrans-59137.1177.424.5-33.6000109.8I444 T445P410-I444 WeakPolarHBondContact CD-O 3.24Å; P410-I444 WeakPolarHBondContact CG-O 3.13Å; P410-T445 WeakPolarHBondContact CB-O 3.41Å
411R62Low80.2Confident230 Ų23072.3 Ų72.387%0.86835%0.348SS*.PPolyproline II helixtrans-56.2146.9161.5-67.6-179-179.8174.10.3108.1Q409 S413Q409-R411 PolarHBondContact O-N 3.31Å; R411-S413 PolarHBondContact O-N 2.76Å
412Q66Low80.4Confident196 Ų19671.6 Ų71.692%0.91635%0.345SS*.SBendtrans-46.6118.3176.9-85.7179.5-19.200110.3
413S74.6Confident80.8Confident49 Ų4968.5 Ų68.534%0.34333%0.329SS..  trans-136.3166.1-179.882.80000110.2R411 M415 N416R411-S413 PolarHBondContact O-N 2.76Å; S413-M415 PolarHBondContact O-N 2.73Å; S413-M415 VanDerWaalsContact OG-CB 3.3Å; S413-M415 WeakPolarHBondContact OG-CB 3.4Å; S413-M415 PolarHBondContact OG-N 3.32Å; S413-M415 VanDerWaalsContact OG-N 3.15Å; S413-N416 PolarHBondContact N-OD1 2.72Å; S413-N416 VanDerWaalsContact O-CB 3.3Å; S413-N416 WeakPolarHBondContact O-CB 3.39Å; S413-N416 PolarHBondContact O-N 3Å; S413-N416 VanDerWaalsContact O-N 3.1Å; S413-N416 PolarHBondContact O-OD1 3.37Å; S413-N416 PolarHBondContact OG-OD1 3.41Å
414V74.4Confident81.3Confident79 Ų7966.3 Ų66.348%0.47932%0.319SS..G310 helixtrans-56.5-30.1173.4-1780000111.3N416 N417V414-N416 PolarHBondContact O-N 2.8Å; V414-N417 PolarHBondContact O-N 3.47Å
415M76.8Confident81.9Confident16 Ų1665.2 Ų65.28%0.07931%0.314CS..G310 helixtrans-62.6-24.9179.7-54.7-56.3158.800113.2S413 N417 L418 G447 Y448 I709 N710 I713S413-M415 PolarHBondContact O-N 2.73Å; S413-M415 VanDerWaalsContact OG-CB 3.3Å; S413-M415 WeakPolarHBondContact OG-CB 3.4Å; S413-M415 PolarHBondContact OG-N 3.32Å; S413-M415 VanDerWaalsContact OG-N 3.15Å; M415-N417 PolarHBondContact O-N 2.98Å; M415-L418 PolarHBondContact O-N 2.75Å; M415-L418 HydrophobicContact SD-CD1 3.69Å; M415-G447 CarbonylContact C-O 3.59Å; M415-Y448 HydrophobicContact CB-CD1 4.32Å; M415-Y448 HydrophobicContact CB-CE1 4.1Å; M415-Y448 HydrophobicContact CG-CE1 4.27Å; M415-Y448 HydrophobicContact SD-CE1 3.57Å; M415-Y448 VanDerWaalsContact SD-CE1 3.57Å; M415-Y448 VanDerWaalsContact SD-CZ 3.54Å; M415-Y448 PolarHBondContact SD-OH 3.29Å; M415-I709 HydrophobicContact SD-CG2 4.32Å; M415-N710 VanDerWaalsContact CE-CG 3.45Å; M415-N710 WeakPolarHBondContact CE-OD1 3.35Å; M415-I713 HydrophobicContact CE-CD1 3.51Å; M415-I713 HydrophobicContact SD-CD1 4.1Å
416N80Confident82.5Confident50 Ų5063.8 Ų63.827%0.26730%0.304SS..G310 helixtrans-60.3-19178.8-64.661.7000113.6S413 V414 G447S413-N416 PolarHBondContact N-OD1 2.72Å; S413-N416 VanDerWaalsContact O-CB 3.3Å; S413-N416 WeakPolarHBondContact O-CB 3.39Å; S413-N416 PolarHBondContact O-N 3Å; S413-N416 VanDerWaalsContact O-N 3.1Å; S413-N416 PolarHBondContact O-OD1 3.37Å; S413-N416 PolarHBondContact OG-OD1 3.41Å; V414-N416 PolarHBondContact O-N 2.8Å; N416-G447 WeakPolarHBondContact CA-O 3.3Å; N416-G447 PolarHBondContact N-O 2.96Å
417N85.3Confident83.4Confident123 Ų12359.3 Ų59.366%0.65829%0.29SS*.G310 helixtrans-97.1-9.4176.9-65.8-28.8000113.6V414 M415V414-N417 PolarHBondContact O-N 3.47Å; M415-N417 PolarHBondContact O-N 2.98Å
418L94.1Very high84.7Confident3 Ų359.4 Ų59.42%0.01629%0.293CS..  trans-93.1146.9-176.4-58-176.1000111.1M415 Y448 K449 I709 I713 S717 V719M415-L418 PolarHBondContact O-N 2.75Å; M415-L418 HydrophobicContact SD-CD1 3.69Å; L418-Y448 HydrophobicContact CB-CD1 3.9Å; L418-Y448 HydrophobicContact CB-CE1 4.04Å; L418-Y448 HydrophobicContact CD1-CE1 4.15Å; L418-K449 PolarHBondContact O-N 2.83Å; L418-I709 HydrophobicContact CD1-CG2 3.61Å; L418-I713 HydrophobicContact CD1-CD1 3.76Å; L418-I713 HydrophobicContact CD1-CG1 4.11Å; L418-S717 WeakPolarHBondContact CD2-O 3.33Å; L418-V719 HydrophobicContact CD1-CG2 4.35Å
419R96.6Very high86.2Confident79 Ų7951.8 Ų51.830%0.29826%0.257SS..EExtended strand (participates in β ladder)trans-121.3131.4-176.8-66.8171.3179.2-163.2-3.9110.3K449 I451 L506 L508 S509R419-K449 CarbonylContact C-O 3.47Å; R419-K449 VanDerWaalsContact CA-O 3.26Å; R419-K449 WeakPolarHBondContact CA-O 3.14Å; R419-K449 HydrophobicContact CG-CB 4.01Å; R419-I451 HydrophobicContact CB-CG1 4.14Å; R419-I451 HydrophobicContact CG-CG1 4.42Å; R419-L506 WeakPolarHBondContact CD-O 3.1Å; R419-L506 PolarHBondContact NH1-O 3.5Å; R419-L508 HydrophobicContact CB-CD2 4.47Å; R419-S509 PolarHBondContact N-OG 3.07Å; R419-S509 WeakPolarHBondContact O-CB 3.47Å; R419-S509 PolarHBondContact O-N 2.87Å
420I97.6Very high87.7Confident0 Ų044.3 Ų44.30%022%0.222CC..EExtended strand (participates in β ladder)trans-114.4125.4174.9-56.9178000108.8F439 Y448 K449 V450 I451 G510 I702 L705 I709I420-F439 HydrophobicContact CB-CE1 4.47Å; I420-F439 HydrophobicContact CG2-CE1 3.79Å; I420-F439 HydrophobicContact CG2-CZ 3.75Å; I420-Y448 HydrophobicContact CD1-CD1 3.61Å; I420-Y448 HydrophobicContact CD1-CD2 3.8Å; I420-Y448 HydrophobicContact CD1-CE1 3.95Å; I420-Y448 HydrophobicContact CD1-CE2 4.14Å; I420-Y448 HydrophobicContact CD1-CG 3.51Å; I420-Y448 HydrophobicContact CG1-CD1 3.89Å; I420-Y448 HydrophobicContact CG1-CE1 4.44Å; I420-Y448 HydrophobicContact CG1-CG 4.08Å; I420-K449 PolarHBondContact N-O 2.77Å; I420-V450 WeakPolarHBondContact O-CA 3.46Å; I420-I451 PolarHBondContact O-N 3.13Å; I420-G510 WeakPolarHBondContact CA-O 3.27Å; I420-I702 HydrophobicContact CD1-CD1 3.88Å; I420-L705 HydrophobicContact CG2-CD1 4.17Å; I420-I709 HydrophobicContact CD1-CD1 3.82Å; I420-I709 HydrophobicContact CG1-CD1 4.08Å
421G98.1Very high89.4Confident0 Ų042.7 Ų42.70%021%0.212CC..EExtended strand (participates in β ladder)trans-83.2146.6176.700000111.9I451 G510 L511 L512G421-I451 CarbonylContact C-O 3.6Å; G421-I451 WeakPolarHBondContact CA-O 3.22Å; G421-G510 PolarHBondContact N-O 2.74Å; G421-L511 CarbonylContact O-C 3.56Å; G421-L511 WeakPolarHBondContact O-CA 3.35Å; G421-L512 PolarHBondContact O-N 2.82Å
422I98.4Very high91.2Very high0 Ų031.8 Ų31.80%017%0.171CC..EExtended strand (participates in β ladder)trans-126.5130.5168.7-51.4176.8000108.5I436 F439 V450 I451 I453 L484 L512 I514I422-I436 HydrophobicContact CD1-CG2 4.32Å; I422-I436 HydrophobicContact CG2-CG1 4.19Å; I422-F439 HydrophobicContact CD1-CD1 3.49Å; I422-F439 VanDerWaalsContact CD1-CD1 3.49Å; I422-F439 HydrophobicContact CD1-CE1 4.06Å; I422-F439 HydrophobicContact CD1-CG 4.31Å; I422-F439 HydrophobicContact CG1-CD1 3.98Å; I422-F439 HydrophobicContact CG1-CE1 4.06Å; I422-V450 HydrophobicContact CD1-CG1 3.43Å; I422-V450 VanDerWaalsContact CD1-CG1 3.43Å; I422-V450 HydrophobicContact CG1-CG1 3.94Å; I422-I451 PolarHBondContact N-O 3.45Å; I422-I453 WeakPolarHBondContact O-CB 3.07Å; I422-I453 PolarHBondContact O-N 2.9Å; I422-L484 HydrophobicContact CG2-CD1 4.35Å; I422-L512 WeakPolarHBondContact CA-O 3.39Å; I422-L512 HydrophobicContact CG1-CB 4.35Å; I422-L512 HydrophobicContact CG2-CB 4.49Å; I422-L512 HydrophobicContact CG2-CD2 4.25Å; I422-I514 HydrophobicContact CG2-CD1 3.95Å
423V98.4Very high92.7Very high0 Ų022.4 Ų22.40%013%0.127CC..EExtended strand (participates in β ladder)trans-138140.8177.764.30000111.2V425 I453 F457 L511 L512 I513 I514V423-V425 HydrophobicContact CG1-CG2 4.5Å; V423-V425 HydrophobicContact CG2-CG2 4.22Å; V423-I453 HydrophobicContact CB-CB 3.92Å; V423-I453 HydrophobicContact CB-CD1 4.12Å; V423-I453 HydrophobicContact CB-CG2 4.2Å; V423-I453 HydrophobicContact CG2-CB 4.03Å; V423-I453 HydrophobicContact CG2-CG2 3.79Å; V423-F457 HydrophobicContact CG1-CZ 4.1Å; V423-L511 HydrophobicContact CG1-CD1 4.2Å; V423-L512 PolarHBondContact N-O 3.12Å; V423-I513 HydrophobicContact CG1-CB 4.26Å; V423-I513 HydrophobicContact CG1-CD1 4.36Å; V423-I513 HydrophobicContact CG1-CG1 3.84Å; V423-I513 HydrophobicContact CG1-CG2 4.15Å; V423-I513 WeakPolarHBondContact O-CA 3.36Å; V423-I514 PolarHBondContact O-N 2.99Å
424N98.4Very high93.7Very high0 Ų020.1 Ų20.10%011%0.111CC..EExtended strand (participates in β ladder)trans-102.5135.1173.5-62.4-21.8000110.6I432 G456 S482 G485 I514N424-I432 VanDerWaalsContact ND2-CG2 3.32Å; N424-I432 WeakPolarHBondContact ND2-CG2 3.15Å; N424-G456 WeakPolarHBondContact O-CA 3.29Å; N424-S482 PolarHBondContact ND2-OG 2.75Å; N424-G485 WeakPolarHBondContact CB-O 3.27Å; N424-I514 CarbonylContact C-O 3.44Å; N424-I514 VanDerWaalsContact CA-O 3.25Å; N424-I514 WeakPolarHBondContact CA-O 3.38Å
425V98.3Very high94.8Very high0 Ų016.3 Ų16.30%09%0.088CC..EExtended strand (participates in β ladder)trans-136.4132.8-177.3-177.70000110.9V423 F457 R487 I513 I514 G515 G516 E518 A519V423-V425 HydrophobicContact CG1-CG2 4.5Å; V423-V425 HydrophobicContact CG2-CG2 4.22Å; V425-F457 HydrophobicContact CG2-CD2 3.98Å; V425-F457 HydrophobicContact CG2-CE2 3.75Å; V425-R487 CarbonylContact C-O 3.5Å; V425-R487 WeakPolarHBondContact CA-O 3.37Å; V425-I513 HydrophobicContact CB-CG2 4.43Å; V425-I513 HydrophobicContact CG2-CG2 4Å; V425-I514 PolarHBondContact N-O 2.83Å; V425-G515 WeakPolarHBondContact O-CA 3.47Å; V425-G516 PolarHBondContact O-N 2.93Å; V425-E518 HydrophobicContact CG1-CB 3.86Å; V425-A519 HydrophobicContact CB-CB 3.9Å; V425-A519 HydrophobicContact CG1-CB 4.34Å
426G96.9Very high95.8Very high2 Ų215.6 Ų15.62%0.0218%0.084CC..SBendtrans104.3-157.1-179.600000113.3T486 R487G426-T486 PolarHBondContact N-OG1 3.49Å; G426-T486 VanDerWaalsContact O-CG2 3.3Å; G426-T486 WeakPolarHBondContact O-CG2 3.44Å; G426-T486 PolarHBondContact O-OG1 2.73Å; G426-R487 PolarHBondContact N-O 3.15Å
427A95.9Very high96.6Very high27 Ų2713.9 Ų13.922%0.2237%0.074CC..SBendtrans-74.9150.6175.800000111.2
428P96Very high97Very high39 Ų398 Ų825%0.2534%0.043SC..  trans-64.5144.6173.528.5-34.5000110.7T486P428-T486 HydrophobicContact CB-CG2 4.22Å
429A96.8Very high97.1Very high1 Ų17.9 Ų7.91%0.0084%0.042CC..  trans-143.8143.4177.200000109.8I432 A545 L558A429-I432 HydrophobicContact CB-CD1 4.07Å; A429-I432 HydrophobicContact CB-CG1 4.42Å; A429-I432 WeakPolarHBondContact O-CD1 3.44Å; A429-I432 VanDerWaalsContact O-CG1 3.28Å; A429-I432 WeakPolarHBondContact O-CG1 3.34Å; A429-I432 PolarHBondContact O-N 3.41Å; A429-A545 HydrophobicContact CB-CB 4.38Å; A429-L558 WeakPolarHBondContact CB-O 3.41Å
430C97.1Very high97Very high1 Ų14.1 Ų4.11%0.0073%0.028CC..THydrogen-bonded Turntrans-60140.1174.2-87.10000111.4L558 G559 T562 Q682 P686C430-L558 CarbonylContact O-C 3.51Å; C430-G559 VanDerWaalsContact O-CA 3.28Å; C430-G559 WeakPolarHBondContact O-CA 3.25Å; C430-G559 PolarHBondContact O-N 2.85Å; C430-T562 HydrophobicContact CB-CG2 3.86Å; C430-T562 WeakPolarHBondContact CB-OG1 3.32Å; C430-Q682 PolarHBondContact SG-O 2.93Å; C430-P686 HydrophobicContact CB-CB 3.71Å
431G96.8Very high96.8Very high1 Ų15 Ų51%0.013%0.031CC..THydrogen-bonded Turntrans97-18-177.400000115.2N433 A434 V435G431-N433 VanDerWaalsContact C-N 3.32Å; G431-N433 PolarHBondContact O-N 2.82Å; G431-A434 WeakPolarHBondContact O-CB 3.37Å; G431-A434 PolarHBondContact O-N 2.84Å; G431-A434 VanDerWaalsContact O-N 3.08Å; G431-V435 PolarHBondContact O-N 3.04Å; G431-V435 VanDerWaalsContact O-N 3.11Å
432I98Very high96.5Very high1 Ų15.2 Ų5.21%0.0053%0.032CC..Hα-helixtrans-55.3-48176.1-69.2176000111.1N424 A429 A434 V435 I436 I514 A545N424-I432 VanDerWaalsContact ND2-CG2 3.32Å; N424-I432 WeakPolarHBondContact ND2-CG2 3.15Å; A429-I432 HydrophobicContact CB-CD1 4.07Å; A429-I432 HydrophobicContact CB-CG1 4.42Å; A429-I432 WeakPolarHBondContact O-CD1 3.44Å; A429-I432 VanDerWaalsContact O-CG1 3.28Å; A429-I432 WeakPolarHBondContact O-CG1 3.34Å; A429-I432 PolarHBondContact O-N 3.41Å; I432-A434 VanDerWaalsContact C-N 3.26Å; I432-A434 PolarHBondContact O-N 3.4Å; I432-V435 WeakPolarHBondContact O-CB 3.23Å; I432-V435 PolarHBondContact O-N 2.9Å; I432-V435 VanDerWaalsContact O-N 3.1Å; I432-I436 HydrophobicContact CG2-CD1 3.93Å; I432-I436 WeakPolarHBondContact O-CG1 3.45Å; I432-I436 PolarHBondContact O-N 2.98Å; I432-I514 HydrophobicContact CB-CG2 4.39Å; I432-I514 HydrophobicContact CG1-CG2 3.93Å; I432-I514 HydrophobicContact CG2-CG2 4.15Å; I432-A545 HydrophobicContact CD1-CB 3.99Å; I432-A545 HydrophobicContact CG1-CB 3.63Å
433N97.7Very high96.2Very high0 Ų05.2 Ų5.20%03%0.032CC..Hα-helixtrans-65.4-30.3-179.7-62.5-37.3000112.7G431 I436 R437 W476 M479 G480 G481 M483G431-N433 VanDerWaalsContact C-N 3.32Å; G431-N433 PolarHBondContact O-N 2.82Å; N433-I436 PolarHBondContact O-N 3.33Å; N433-R437 VanDerWaalsContact O-CB 3.3Å; N433-R437 WeakPolarHBondContact O-CB 3.45Å; N433-R437 PolarHBondContact O-N 3.34Å; N433-W476 HydrophobicContact CB-CB 4.09Å; N433-W476 HydrophobicContact CB-CE3 4.44Å; N433-W476 WeakPolarHBondContact CB-O 3.4Å; N433-M479 PolarHBondContact ND2-O 3.25Å; N433-G480 PolarHBondContact ND2-O 3.43Å; N433-G481 PolarHBondContact ND2-O 3.26Å; N433-M483 WeakPolarHBondContact OD1-CG 3.32Å; N433-M483 PolarHBondContact OD1-N 3.02Å
434A96.8Very high95.9Very high0 Ų06.9 Ų6.90%04%0.041CC..Hα-helixtrans-66.9-38.4173.500000111.6G431 I432 G438 V477G431-A434 WeakPolarHBondContact O-CB 3.37Å; G431-A434 PolarHBondContact O-N 2.84Å; G431-A434 VanDerWaalsContact O-N 3.08Å; I432-A434 VanDerWaalsContact C-N 3.26Å; I432-A434 PolarHBondContact O-N 3.4Å; A434-G438 PolarHBondContact O-N 3.31Å; A434-V477 HydrophobicContact CB-CB 4.25Å; A434-V477 HydrophobicContact CB-CG1 4.13Å; A434-V477 HydrophobicContact CB-CG2 4Å
435V97.8Very high95.4Very high0 Ų08.6 Ų8.60%05%0.051CC..Hα-helixtrans-61.7-52.9173.5-179.50000110.6G431 I432 R437 G438 F439 L512 I514 V543 L558 G694 A698G431-V435 PolarHBondContact O-N 3.04Å; G431-V435 VanDerWaalsContact O-N 3.11Å; I432-V435 WeakPolarHBondContact O-CB 3.23Å; I432-V435 PolarHBondContact O-N 2.9Å; I432-V435 VanDerWaalsContact O-N 3.1Å; V435-R437 VanDerWaalsContact C-N 3.3Å; V435-R437 PolarHBondContact O-N 3.06Å; V435-G438 PolarHBondContact O-N 3.13Å; V435-F439 WeakPolarHBondContact O-CB 3.49Å; V435-F439 PolarHBondContact O-N 2.92Å; V435-L512 HydrophobicContact CG1-CD2 4.07Å; V435-I514 HydrophobicContact CB-CD1 3.87Å; V435-I514 HydrophobicContact CG1-CD1 3.55Å; V435-I514 HydrophobicContact CG1-CG1 4.07Å; V435-V543 HydrophobicContact CG1-CG2 4.26Å; V435-V543 HydrophobicContact CG2-CG1 4.01Å; V435-L558 HydrophobicContact CG2-CD1 3.22Å; V435-G694 VanDerWaalsContact CG2-CA 3.49Å; V435-G694 WeakPolarHBondContact CG2-O 3.26Å; V435-A698 HydrophobicContact CG1-CB 4.26Å; V435-A698 VanDerWaalsContact O-CB 3.28Å; V435-A698 WeakPolarHBondContact O-CB 3.44Å
436I97.7Very high95Very high0 Ų011.2 Ų11.20%06%0.063CC..Hα-helixtrans-57.2-48.3-178-61.9165.2000109.9I422 I432 N433 G438 F439 T440 I468 V473 W476 L484 I514I422-I436 HydrophobicContact CD1-CG2 4.32Å; I422-I436 HydrophobicContact CG2-CG1 4.19Å; I432-I436 HydrophobicContact CG2-CD1 3.93Å; I432-I436 WeakPolarHBondContact O-CG1 3.45Å; I432-I436 PolarHBondContact O-N 2.98Å; N433-I436 PolarHBondContact O-N 3.33Å; I436-G438 PolarHBondContact O-N 2.87Å; I436-F439 PolarHBondContact O-N 2.96Å; I436-T440 VanDerWaalsContact O-CB 3.27Å; I436-T440 WeakPolarHBondContact O-CB 3.39Å; I436-T440 PolarHBondContact O-N 3.44Å; I436-T440 PolarHBondContact O-OG1 2.97Å; I436-I468 HydrophobicContact CG2-CD1 4.21Å; I436-V473 HydrophobicContact CG2-CG1 4.21Å; I436-W476 HydrophobicContact CB-CE3 4.31Å; I436-W476 HydrophobicContact CB-CZ3 4.34Å; I436-W476 HydrophobicContact CD1-CZ3 4.26Å; I436-W476 HydrophobicContact CG2-CE3 4.08Å; I436-W476 HydrophobicContact CG2-CZ3 3.76Å; I436-L484 HydrophobicContact CD1-CD1 3.89Å; I436-L484 HydrophobicContact CD1-CG 4.12Å; I436-L484 HydrophobicContact CG1-CD1 4.49Å; I436-L484 HydrophobicContact CG2-CD1 4.46Å; I436-I514 HydrophobicContact CD1-CD1 4.48Å; I436-I514 HydrophobicContact CG1-CD1 3.65Å
437R95.5Very high94.7Very high14 Ų1411.5 Ų11.55%0.0537%0.065CC..Hα-helixtrans-58-52178179.3-82.2-172.4-157.514.5111.8E238 N433 V435 F439 R441 V473 W476 V477E238-R437 WeakPolarHBondContact OE1-CG 3.45Å; E238-R437 IonicContact OE1-NE 2.92Å; E238-R437 PolarHBondContact OE1-NE 2.64Å; E238-R437 IonicContact OE2-CZ 3.63Å; E238-R437 IonicContact OE2-NE 3.04Å; E238-R437 PolarHBondContact OE2-NE 3.02Å; E238-R437 IonicContact OE2-NH2 3.57Å; E238-R437 PolarHBondContact OE2-NH2 3.23Å; N433-R437 VanDerWaalsContact O-CB 3.3Å; N433-R437 WeakPolarHBondContact O-CB 3.45Å; N433-R437 PolarHBondContact O-N 3.34Å; V435-R437 VanDerWaalsContact C-N 3.3Å; V435-R437 PolarHBondContact O-N 3.06Å; R437-F439 VanDerWaalsContact C-N 3.27Å; R437-F439 PolarHBondContact O-N 2.78Å; R437-R441 PolarHBondContact O-N 3.07Å; R437-R441 VanDerWaalsContact O-N 3.16Å; R437-V473 HydrophobicContact CB-CB 4.01Å; R437-V473 HydrophobicContact CB-CG2 4.31Å; R437-V473 HydrophobicContact CG-CB 4.09Å; R437-V473 HydrophobicContact CG-CG2 4.02Å; R437-V473 VanDerWaalsContact CG-O 3.25Å; R437-V473 WeakPolarHBondContact CG-O 3.44Å; R437-W476 HydrophobicContact CB-CB 4.11Å; R437-V477 HydrophobicContact CB-CG2 4.2Å; R437-V477 HydrophobicContact CG-CG2 4.01Å
438G94.4Very high94.6Very high0 Ų010.4 Ų10.40%06%0.055CC..Hα-helixtrans-60.4-41.6-17800000111.5A434 V435 I436 L442A434-G438 PolarHBondContact O-N 3.31Å; V435-G438 PolarHBondContact O-N 3.13Å; I436-G438 PolarHBondContact O-N 2.87Å; G438-L442 WeakPolarHBondContact O-CB 3.43Å; G438-L442 VanDerWaalsContact O-CG 3.26Å; G438-L442 WeakPolarHBondContact O-CG 3.47Å; G438-L442 PolarHBondContact O-N 2.98Å
439F96.3Very high94.6Very high0 Ų012.4 Ų12.40%06%0.06CC..Hα-helixtrans-72.4-46.9-175.3-173.8-85.4000110.5I420 I422 V435 I436 R437 R441 L442 G443 L512 A698 A701 I702 L705I420-F439 HydrophobicContact CB-CE1 4.47Å; I420-F439 HydrophobicContact CG2-CE1 3.79Å; I420-F439 HydrophobicContact CG2-CZ 3.75Å; I422-F439 HydrophobicContact CD1-CD1 3.49Å; I422-F439 VanDerWaalsContact CD1-CD1 3.49Å; I422-F439 HydrophobicContact CD1-CE1 4.06Å; I422-F439 HydrophobicContact CD1-CG 4.31Å; I422-F439 HydrophobicContact CG1-CD1 3.98Å; I422-F439 HydrophobicContact CG1-CE1 4.06Å; V435-F439 WeakPolarHBondContact O-CB 3.49Å; V435-F439 PolarHBondContact O-N 2.92Å; I436-F439 PolarHBondContact O-N 2.96Å; R437-F439 VanDerWaalsContact C-N 3.27Å; R437-F439 PolarHBondContact O-N 2.78Å; F439-R441 PolarHBondContact O-N 2.9Å; F439-L442 PolarHBondContact O-N 2.89Å; F439-G443 WeakPolarHBondContact O-CA 3.41Å; F439-G443 PolarHBondContact O-N 2.77Å; F439-L512 HydrophobicContact CB-CD2 4.11Å; F439-L512 HydrophobicContact CD1-CD2 4.13Å; F439-L512 HydrophobicContact CD2-CD2 3.54Å; F439-L512 HydrophobicContact CE1-CD2 4.42Å; F439-L512 HydrophobicContact CE2-CB 4.32Å; F439-L512 HydrophobicContact CE2-CD2 3.87Å; F439-L512 HydrophobicContact CG-CD2 3.64Å; F439-L512 HydrophobicContact CZ-CB 4.16Å; F439-L512 HydrophobicContact CZ-CD2 4.29Å; F439-A698 HydrophobicContact CB-CB 4.15Å; F439-A701 HydrophobicContact CD2-CB 3.95Å; F439-A701 HydrophobicContact CE2-CB 3.96Å; F439-I702 HydrophobicContact CD2-CB 3.76Å; F439-I702 HydrophobicContact CD2-CD1 4.41Å; F439-I702 HydrophobicContact CE1-CD1 4Å; F439-I702 HydrophobicContact CE2-CB 3.67Å; F439-I702 HydrophobicContact CE2-CD1 3.8Å; F439-I702 HydrophobicContact CE2-CG1 4.31Å; F439-I702 HydrophobicContact CZ-CB 4.36Å; F439-I702 HydrophobicContact CZ-CD1 3.56Å; F439-L705 HydrophobicContact CE2-CD1 3.77Å; F439-L705 HydrophobicContact CZ-CD1 3.56Å
440T94.9Very high94.6Very high0 Ų012.4 Ų12.40%06%0.06CC..Hα-helixtrans-58.4-50.6179-64.40000111.2I436 L442 G443 I444 V450 I468 V473I436-T440 VanDerWaalsContact O-CB 3.27Å; I436-T440 WeakPolarHBondContact O-CB 3.39Å; I436-T440 PolarHBondContact O-N 3.44Å; I436-T440 PolarHBondContact O-OG1 2.97Å; T440-L442 PolarHBondContact O-N 3.35Å; T440-G443 PolarHBondContact O-N 3.35Å; T440-I444 HydrophobicContact CG2-CD1 3.79Å; T440-I444 VanDerWaalsContact O-CG1 3.27Å; T440-I444 WeakPolarHBondContact O-CG1 3.28Å; T440-I444 PolarHBondContact O-N 3.48Å; T440-V450 HydrophobicContact CG2-CB 4.28Å; T440-V450 HydrophobicContact CG2-CG1 4.3Å; T440-V450 HydrophobicContact CG2-CG2 4.46Å; T440-I468 HydrophobicContact CG2-CB 4.14Å; T440-I468 HydrophobicContact CG2-CG2 3.8Å; T440-V473 HydrophobicContact CG2-CG1 4.26Å; T440-V473 HydrophobicContact CG2-CG2 4.28Å
441R92Very high94.6Very high18 Ų1812.8 Ų12.87%0.0686%0.062CC..Hα-helixtrans-63.3-46-178.3-71.3-165.7-175.9172.817.4112.1E238 R437 F439 I444 T445 W470 V473E238-R441 IonicContact OE2-CZ 3.91Å; E238-R441 IonicContact OE2-NH1 3.32Å; E238-R441 IonicContact OE2-NH2 3.37Å; E238-R441 PolarHBondContact OE2-NH2 3.26Å; R437-R441 PolarHBondContact O-N 3.07Å; R437-R441 VanDerWaalsContact O-N 3.16Å; F439-R441 PolarHBondContact O-N 2.9Å; R441-I444 PolarHBondContact O-N 2.94Å; R441-T445 PolarHBondContact O-N 3.02Å; R441-T445 PolarHBondContact O-OG1 2.86Å; R441-T445 VanDerWaalsContact O-OG1 3.12Å; R441-W470 HydrophobicContact CB-CE3 3.96Å; R441-W470 HydrophobicContact CB-CH2 3.96Å; R441-W470 HydrophobicContact CB-CZ3 3.65Å; R441-W470 HydrophobicContact CG-CD2 3.93Å; R441-W470 HydrophobicContact CG-CE3 3.84Å; R441-W470 HydrophobicContact CG-CH2 4.17Å; R441-W470 HydrophobicContact CG-CZ2 4.26Å; R441-W470 HydrophobicContact CG-CZ3 3.96Å; R441-W470 WeakPolarHBondContact O-CZ3 3.28Å; R441-V473 HydrophobicContact CG-CG2 4.16Å
442L92.5Very high94.7Very high6 Ų612.8 Ų12.83%0.0316%0.061CC..Hα-helixtrans-68-35.7178.3-68.2177000112.7K403 L404 G438 F439 T440 T445 K446 I702K403-L442 HydrophobicContact CD-CD1 4.23Å; K403-L442 HydrophobicContact CD-CD2 4.09Å; K403-L442 HydrophobicContact CG-CD2 3.77Å; L404-L442 HydrophobicContact CD2-CD1 3.72Å; L404-L442 HydrophobicContact CD2-CD2 3.92Å; L404-L442 HydrophobicContact CD2-CG 3.65Å; L404-L442 HydrophobicContact CG-CD1 4.41Å; L404-L442 HydrophobicContact CG-CD2 4.43Å; G438-L442 WeakPolarHBondContact O-CB 3.43Å; G438-L442 VanDerWaalsContact O-CG 3.26Å; G438-L442 WeakPolarHBondContact O-CG 3.47Å; G438-L442 PolarHBondContact O-N 2.98Å; F439-L442 PolarHBondContact O-N 2.89Å; T440-L442 PolarHBondContact O-N 3.35Å; L442-T445 PolarHBondContact O-N 2.93Å; L442-K446 WeakPolarHBondContact O-CG 3.3Å; L442-K446 PolarHBondContact O-N 3.14Å; L442-I702 HydrophobicContact CB-CG2 3.73Å; L442-I702 HydrophobicContact CD1-CG2 3.91Å; L442-I702 HydrophobicContact CG-CG2 4.5Å
443G93.2Very high94.7Very high0 Ų012.7 Ų12.70%06%0.061CC..Hα-helixtrans-61.9-46.5174.500000111.5F439 T440 K446 G447 Y448F439-G443 WeakPolarHBondContact O-CA 3.41Å; F439-G443 PolarHBondContact O-N 2.77Å; T440-G443 PolarHBondContact O-N 3.35Å; G443-K446 PolarHBondContact O-N 3.21Å; G443-K446 VanDerWaalsContact O-N 3.14Å; G443-G447 PolarHBondContact O-N 2.89Å; G443-Y448 PolarHBondContact O-N 3.36Å
444I91.3Very high94.7Very high35 Ų3514.6 Ų14.618%0.1797%0.07CC..Hα-helixtrans-60.8-46.9174.4-68.1167.6000110.5P410 T440 R441 K446 G447 V450 W470P410-I444 WeakPolarHBondContact CD-O 3.24Å; P410-I444 WeakPolarHBondContact CG-O 3.13Å; T440-I444 HydrophobicContact CG2-CD1 3.79Å; T440-I444 VanDerWaalsContact O-CG1 3.27Å; T440-I444 WeakPolarHBondContact O-CG1 3.28Å; T440-I444 PolarHBondContact O-N 3.48Å; R441-I444 PolarHBondContact O-N 2.94Å; I444-K446 PolarHBondContact O-N 3.26Å; I444-G447 PolarHBondContact O-N 3.19Å; I444-V450 HydrophobicContact CG1-CG2 4.44Å; I444-W470 HydrophobicContact CB-CE3 4.41Å; I444-W470 HydrophobicContact CD1-CB 4.18Å; I444-W470 HydrophobicContact CG2-CE3 4.26Å
445T88.4Confident94.7Very high35 Ų3517.5 Ų17.522%0.2158%0.083CC..Hα-helixtrans-59.7-27.2177-61.50000112.9P410 R441 L442P410-T445 WeakPolarHBondContact CB-O 3.41Å; R441-T445 PolarHBondContact O-N 3.02Å; R441-T445 PolarHBondContact O-OG1 2.86Å; R441-T445 VanDerWaalsContact O-OG1 3.12Å; L442-T445 PolarHBondContact O-N 2.93Å
446K89.4Confident94.6Very high56 Ų5617.5 Ų17.524%0.2438%0.084CC..Hα-helixtrans-84.9-11.9175.5-75.7176.3177.9-80.50114.3L442 G443 I444 Y448 I702 D703 D706L442-K446 WeakPolarHBondContact O-CG 3.3Å; L442-K446 PolarHBondContact O-N 3.14Å; G443-K446 PolarHBondContact O-N 3.21Å; G443-K446 VanDerWaalsContact O-N 3.14Å; I444-K446 PolarHBondContact O-N 3.26Å; K446-Y448 HydrophobicContact CB-CD2 3.81Å; K446-Y448 HydrophobicContact CB-CE2 3.83Å; K446-Y448 HydrophobicContact CD-CE2 4.3Å; K446-I702 HydrophobicContact CD-CG1 3.9Å; K446-D703 WeakPolarHBondContact CE-OD1 3.39Å; K446-D703 IonicContact NZ-OD1 2.78Å; K446-D703 PolarHBondContact NZ-OD1 3.27Å; K446-D703 VanDerWaalsContact NZ-OD1 3.13Å; K446-D706 HydrophobicContact CD-CB 3.96Å; K446-D706 IonicContact NZ-OD2 2.7Å; K446-D706 PolarHBondContact NZ-OD2 3.31Å
447G90.9Very high94.6Very high7 Ų717.6 Ų17.67%0.0728%0.084CC..THydrogen-bonded Turntrans115.7-17-17800000114.9M415 N416 G443 I444M415-G447 CarbonylContact C-O 3.59Å; N416-G447 WeakPolarHBondContact CA-O 3.3Å; N416-G447 PolarHBondContact N-O 2.96Å; G443-G447 PolarHBondContact O-N 2.89Å; I444-G447 PolarHBondContact O-N 3.19Å
448Y93.7Very high94.7Very high5 Ų517.8 Ų17.82%0.029%0.088CC..PPolyproline II helixtrans-74.6145-170.2-61.4-74.5000113M415 L418 I420 G443 K446 I702 D706 I709M415-Y448 HydrophobicContact CB-CD1 4.32Å; M415-Y448 HydrophobicContact CB-CE1 4.1Å; M415-Y448 HydrophobicContact CG-CE1 4.27Å; M415-Y448 HydrophobicContact SD-CE1 3.57Å; M415-Y448 VanDerWaalsContact SD-CE1 3.57Å; M415-Y448 VanDerWaalsContact SD-CZ 3.54Å; M415-Y448 PolarHBondContact SD-OH 3.29Å; L418-Y448 HydrophobicContact CB-CD1 3.9Å; L418-Y448 HydrophobicContact CB-CE1 4.04Å; L418-Y448 HydrophobicContact CD1-CE1 4.15Å; I420-Y448 HydrophobicContact CD1-CD1 3.61Å; I420-Y448 HydrophobicContact CD1-CD2 3.8Å; I420-Y448 HydrophobicContact CD1-CE1 3.95Å; I420-Y448 HydrophobicContact CD1-CE2 4.14Å; I420-Y448 HydrophobicContact CD1-CG 3.51Å; I420-Y448 HydrophobicContact CG1-CD1 3.89Å; I420-Y448 HydrophobicContact CG1-CE1 4.44Å; I420-Y448 HydrophobicContact CG1-CG 4.08Å; G443-Y448 PolarHBondContact O-N 3.36Å; K446-Y448 HydrophobicContact CB-CD2 3.81Å; K446-Y448 HydrophobicContact CB-CE2 3.83Å; K446-Y448 HydrophobicContact CD-CE2 4.3Å; Y448-I702 HydrophobicContact CD2-CD1 4.26Å; Y448-D706 HydrophobicContact CE2-CB 4.21Å; Y448-D706 WeakPolarHBondContact CE2-OD1 3.4Å; Y448-D706 PolarHBondContact OH-OD1 3.39Å; Y448-I709 HydrophobicContact CE1-CD1 4Å; Y448-I709 HydrophobicContact CE1-CG2 4.18Å
449K95Very high94.8Very high81 Ų8117.9 Ų17.935%0.3529%0.089SC..EExtended strand (participates in β ladder)trans-84.3125.6161.4-68.8-171.5176.6-1590109.5L418 R419 I420L418-K449 PolarHBondContact O-N 2.83Å; R419-K449 CarbonylContact C-O 3.47Å; R419-K449 VanDerWaalsContact CA-O 3.26Å; R419-K449 WeakPolarHBondContact CA-O 3.14Å; R419-K449 HydrophobicContact CG-CB 4.01Å; I420-K449 PolarHBondContact N-O 2.77Å
450V96.7Very high94.9Very high1 Ų117.9 Ų17.91%0.0069%0.089CC..EExtended strand (participates in β ladder)trans-101.6122-175.1-178.80000109.1I420 I422 T440 I444 E467 I468I420-V450 WeakPolarHBondContact O-CA 3.46Å; I422-V450 HydrophobicContact CD1-CG1 3.43Å; I422-V450 VanDerWaalsContact CD1-CG1 3.43Å; I422-V450 HydrophobicContact CG1-CG1 3.94Å; T440-V450 HydrophobicContact CG2-CB 4.28Å; T440-V450 HydrophobicContact CG2-CG1 4.3Å; T440-V450 HydrophobicContact CG2-CG2 4.46Å; I444-V450 HydrophobicContact CG1-CG2 4.44Å; V450-E467 CarbonylContact O-C 3.57Å; V450-E467 WeakPolarHBondContact O-CA 3.3Å; V450-I468 HydrophobicContact CG1-CD1 4.49Å; V450-I468 PolarHBondContact O-N 2.96Å
451I98.3Very high95Very high9 Ų919.8 Ų19.85%0.04610%0.1CC..EExtended strand (participates in β ladder)trans-107.4114.4-177.7-51.6-57.5000109R419 I420 G421 I422 A465 S466 E467 L506 L508R419-I451 HydrophobicContact CB-CG1 4.14Å; R419-I451 HydrophobicContact CG-CG1 4.42Å; I420-I451 PolarHBondContact O-N 3.13Å; G421-I451 CarbonylContact C-O 3.6Å; G421-I451 WeakPolarHBondContact CA-O 3.22Å; I422-I451 PolarHBondContact N-O 3.45Å; I451-A465 HydrophobicContact CG2-CB 4Å; I451-S466 CarbonylContact C-O 3.56Å; I451-E467 HydrophobicContact CD1-CB 4.09Å; I451-E467 HydrophobicContact CD1-CG 4.19Å; I451-L506 HydrophobicContact CG2-CD1 4.43Å; I451-L508 HydrophobicContact CB-CD2 4.37Å; I451-L508 HydrophobicContact CG1-CD2 4.34Å
452G98.2Very high95.2Very high0 Ų026.7 Ų26.70%013%0.131CC..EExtended strand (participates in β ladder)trans-81122.1171.800000110.6A465 S466G452-A465 CarbonylContact O-C 3.6Å; G452-A465 VanDerWaalsContact O-CA 3.22Å; G452-A465 WeakPolarHBondContact O-CA 3.42Å; G452-S466 PolarHBondContact N-O 2.91Å; G452-S466 PolarHBondContact O-N 3.41Å
453I98.4Very high95.3Very high0 Ų028.3 Ų28.30%015%0.149CC..EExtended strand (participates in β ladder)trans-94.8112.5173.7-62.1170.2000107.2I422 V423 G456 L460 A465 L508 L511I422-I453 WeakPolarHBondContact O-CB 3.07Å; I422-I453 PolarHBondContact O-N 2.9Å; V423-I453 HydrophobicContact CB-CB 3.92Å; V423-I453 HydrophobicContact CB-CD1 4.12Å; V423-I453 HydrophobicContact CB-CG2 4.2Å; V423-I453 HydrophobicContact CG2-CB 4.03Å; V423-I453 HydrophobicContact CG2-CG2 3.79Å; I453-G456 WeakPolarHBondContact CG2-O 3.28Å; I453-L460 HydrophobicContact CD1-CD1 3.99Å; I453-L460 HydrophobicContact CD1-CD2 4.43Å; I453-L460 HydrophobicContact CG1-CD1 4.1Å; I453-L460 HydrophobicContact CG2-CB 3.63Å; I453-L460 HydrophobicContact CG2-CD1 4.15Å; I453-L460 HydrophobicContact CG2-CG 4.38Å; I453-A465 HydrophobicContact CG1-CB 4.39Å; I453-L508 HydrophobicContact CD1-CD1 4.46Å; I453-L511 HydrophobicContact CD1-CD1 4.16Å
454H97.6Very high95.5Very high40 Ų4032.1 Ų32.119%0.18517%0.169CC..THydrogen-bonded Turntrans-81.6150.1-176.4-60.8-79.8000110.9G456 G459 D464 S466 L484H454-G456 PolarHBondContact O-N 3.07Å; H454-G456 VanDerWaalsContact O-N 3.12Å; H454-G459 VanDerWaalsContact O-CA 3.25Å; H454-G459 WeakPolarHBondContact O-CA 3.4Å; H454-D464 HydrophobicContact CB-CB 4.39Å; H454-D464 IonicContact CD2-OD1 3.01Å; H454-D464 IonicContact CG-OD1 2.81Å; H454-D464 PolarHBondContact N-O 3.31Å; H454-S466 PolarHBondContact NE2-OG 3.41Å; H454-L484 CarbonylContact C-O 3.55Å; H454-L484 WeakPolarHBondContact CA-O 3.37Å
455E96.9Very high95.8Very high60 Ų6031.7 Ų31.728%0.2817%0.171SC..THydrogen-bonded Turntrans55.334.1171.9-60.9-65.6139.400114.3G459 L484 G485 R487E455-G459 PolarHBondContact O-N 2.86Å; E455-L484 PolarHBondContact N-O 3.3Å; E455-G485 WeakPolarHBondContact OE1-CA 3.42Å; E455-R487 HydrophobicContact CB-CG 4.44Å; E455-R487 WeakPolarHBondContact O-CG 3.31Å; E455-R487 IonicContact OE2-CZ 3.95Å; E455-R487 IonicContact OE2-NE 2.67Å; E455-R487 PolarHBondContact OE2-NE 3.1Å; E455-R487 IonicContact OE2-NH2 2.75Å; E455-R487 PolarHBondContact OE2-NH2 3.36Å
456G96.6Very high96.2Very high1 Ų132.6 Ų32.61%0.0118%0.179CC..Hα-helixtrans66.1-157.6178.400000113.8N424 I453 H454 S458 G459 L460N424-G456 WeakPolarHBondContact O-CA 3.29Å; I453-G456 WeakPolarHBondContact CG2-O 3.28Å; H454-G456 PolarHBondContact O-N 3.07Å; H454-G456 VanDerWaalsContact O-N 3.12Å; G456-S458 PolarHBondContact O-N 2.84Å; G456-G459 PolarHBondContact O-N 2.87Å; G456-L460 PolarHBondContact O-N 3.4Å
457F97.7Very high96.5Very high1 Ų133.5 Ų33.50%0.00418%0.184CC..Hα-helixtrans-65.5-24.8178.5-71.2-70.3000113.4V423 V425 L460 V461 P491 L494 V499 F503 I513 C522 L526V423-F457 HydrophobicContact CG1-CZ 4.1Å; V425-F457 HydrophobicContact CG2-CD2 3.98Å; V425-F457 HydrophobicContact CG2-CE2 3.75Å; F457-L460 HydrophobicContact CD1-CD2 3.94Å; F457-L460 HydrophobicContact CE1-CD2 4.38Å; F457-L460 WeakPolarHBondContact O-CB 3.27Å; F457-L460 PolarHBondContact O-N 3.37Å; F457-V461 WeakPolarHBondContact O-CG2 3.44Å; F457-V461 PolarHBondContact O-N 3.22Å; F457-P491 HydrophobicContact CD1-CG 4.34Å; F457-P491 HydrophobicContact CD2-CG 3.97Å; F457-P491 HydrophobicContact CE1-CG 4.32Å; F457-P491 HydrophobicContact CE2-CG 3.94Å; F457-P491 HydrophobicContact CG-CG 4.19Å; F457-P491 HydrophobicContact CZ-CG 4.12Å; F457-L494 VanDerWaalsContact C-CD1 3.41Å; F457-L494 HydrophobicContact CB-CD1 3.66Å; F457-V499 HydrophobicContact CD1-CG1 4.01Å; F457-V499 HydrophobicContact CD1-CG2 4.48Å; F457-V499 HydrophobicContact CE1-CG1 4.2Å; F457-F503 HydrophobicContact CE1-CE2 4.33Å; F457-F503 HydrophobicContact CE1-CZ 4.4Å; F457-I513 HydrophobicContact CE2-CD1 4.37Å; F457-I513 HydrophobicContact CZ-CD1 3.9Å; F457-C522 HydrophobicContact CD2-CB 4.43Å; F457-C522 HydrophobicContact CE2-CB 3.69Å; F457-C522 HydrophobicContact CZ-CB 4.47Å; F457-L526 HydrophobicContact CE1-CD1 4.37Å; F457-L526 HydrophobicContact CZ-CD1 3.89Å
458S96.9Very high96.8Very high18 Ų1833.5 Ų33.513%0.12618%0.182CC..Hα-helixtrans-63.5-43.7174154.70000111.2G456 K462 D489 L494G456-S458 PolarHBondContact O-N 2.84Å; S458-K462 WeakPolarHBondContact O-CG 3.46Å; S458-K462 PolarHBondContact O-N 3.5Å; S458-K462 PolarHBondContact OG-NZ 3.16Å; S458-D489 WeakPolarHBondContact CB-OD2 3.22Å; S458-L494 VanDerWaalsContact N-CD1 3.35Å
459G96.8Very high96.6Very high2 Ų237.6 Ų37.62%0.02120%0.201CC..Hα-helixtrans-67.9-38.8174.200000112.3H454 E455 G456 V461 K462 G463 D464H454-G459 VanDerWaalsContact O-CA 3.25Å; H454-G459 WeakPolarHBondContact O-CA 3.4Å; E455-G459 PolarHBondContact O-N 2.86Å; G456-G459 PolarHBondContact O-N 2.87Å; G459-V461 PolarHBondContact O-N 3.26Å; G459-K462 CarbonylContact O-C 3.5Å; G459-K462 WeakPolarHBondContact O-CA 3.47Å; G459-K462 WeakPolarHBondContact O-CB 3.43Å; G459-K462 PolarHBondContact O-N 3.37Å; G459-G463 PolarHBondContact O-N 3.31Å; G459-D464 WeakPolarHBondContact O-CB 3.46Å; G459-D464 PolarHBondContact O-N 3.28Å
460L97.4Very high96.3Very high1 Ų135.2 Ų35.21%0.00519%0.19CC..Hα-helixtrans-53.8-51173.9-176.764.2000112.6I453 G456 F457 K462 G463 V499 K502 F503 L506I453-L460 HydrophobicContact CD1-CD1 3.99Å; I453-L460 HydrophobicContact CD1-CD2 4.43Å; I453-L460 HydrophobicContact CG1-CD1 4.1Å; I453-L460 HydrophobicContact CG2-CB 3.63Å; I453-L460 HydrophobicContact CG2-CD1 4.15Å; I453-L460 HydrophobicContact CG2-CG 4.38Å; G456-L460 PolarHBondContact O-N 3.4Å; F457-L460 HydrophobicContact CD1-CD2 3.94Å; F457-L460 HydrophobicContact CE1-CD2 4.38Å; F457-L460 WeakPolarHBondContact O-CB 3.27Å; F457-L460 PolarHBondContact O-N 3.37Å; L460-K462 PolarHBondContact O-N 3.3Å; L460-G463 WeakPolarHBondContact O-CA 3.29Å; L460-G463 PolarHBondContact O-N 3.07Å; L460-V499 HydrophobicContact CD2-CG1 4.04Å; L460-K502 HydrophobicContact CD1-CB 3.95Å; L460-K502 HydrophobicContact CD2-CB 4.32Å; L460-K502 HydrophobicContact CG-CB 3.84Å; L460-K502 HydrophobicContact CG-CG 4.42Å; L460-K502 WeakPolarHBondContact O-CG 3.38Å; L460-F503 HydrophobicContact CD2-CD2 3.86Å; L460-F503 HydrophobicContact CD2-CE2 3.53Å; L460-L506 HydrophobicContact CD1-CD1 3.57Å
461V97.1Very high95.9Very high40 Ų4037.3 Ų37.324%0.24221%0.208CC..Hα-helixtrans-61.8-32.3-179.5171.30000111.1F457 G459 G463 L494 K498 V499F457-V461 WeakPolarHBondContact O-CG2 3.44Å; F457-V461 PolarHBondContact O-N 3.22Å; G459-V461 PolarHBondContact O-N 3.26Å; V461-G463 VanDerWaalsContact C-N 3.26Å; V461-G463 PolarHBondContact O-N 3.45Å; V461-L494 HydrophobicContact CG2-CB 4.41Å; V461-K498 HydrophobicContact CG1-CB 4.09Å; V461-K498 HydrophobicContact CG1-CD 4.06Å; V461-K498 HydrophobicContact CG2-CB 4.16Å; V461-V499 HydrophobicContact CG2-CG2 3.85Å
462K96.4Very high95.6Very high163 Ų16340.9 Ų40.971%0.70923%0.227SC*.Hα-helixtrans-77.9-6.5174.5-67169.1-174.9166.20113.8S458 G459 L460S458-K462 WeakPolarHBondContact O-CG 3.46Å; S458-K462 PolarHBondContact O-N 3.5Å; S458-K462 PolarHBondContact OG-NZ 3.16Å; G459-K462 CarbonylContact O-C 3.5Å; G459-K462 WeakPolarHBondContact O-CA 3.47Å; G459-K462 WeakPolarHBondContact O-CB 3.43Å; G459-K462 PolarHBondContact O-N 3.37Å; L460-K462 PolarHBondContact O-N 3.3Å
463G94.7Very high95.3Very high40 Ų4040.9 Ų40.941%0.41223%0.227SC..THydrogen-bonded Turntrans82.317.5-177.500000114.3G459 L460 V461 A465G459-G463 PolarHBondContact O-N 3.31Å; L460-G463 WeakPolarHBondContact O-CA 3.29Å; L460-G463 PolarHBondContact O-N 3.07Å; V461-G463 VanDerWaalsContact C-N 3.26Å; V461-G463 PolarHBondContact O-N 3.45Å; G463-A465 VanDerWaalsContact C-N 3.35Å; G463-A465 PolarHBondContact O-N 3.18Å; G463-A465 VanDerWaalsContact O-N 3.1Å
464D96.9Very high94.8Very high79 Ų7943.8 Ų43.842%0.42224%0.238SC..  trans-85.276.6179-164.17.2000110.8H454 G459H454-D464 HydrophobicContact CB-CB 4.39Å; H454-D464 IonicContact CD2-OD1 3.01Å; H454-D464 IonicContact CG-OD1 2.81Å; H454-D464 PolarHBondContact N-O 3.31Å; G459-D464 WeakPolarHBondContact O-CB 3.46Å; G459-D464 PolarHBondContact O-N 3.28Å
465A97.4Very high94.4Very high27 Ų2743.9 Ų43.922%0.22325%0.25CC..EExtended strand (participates in β ladder)trans-139.5135.7176.300000110.5I451 G452 I453 G463 L506I451-A465 HydrophobicContact CG2-CB 4Å; G452-A465 CarbonylContact O-C 3.6Å; G452-A465 VanDerWaalsContact O-CA 3.22Å; G452-A465 WeakPolarHBondContact O-CA 3.42Å; I453-A465 HydrophobicContact CG1-CB 4.39Å; G463-A465 VanDerWaalsContact C-N 3.35Å; G463-A465 PolarHBondContact O-N 3.18Å; G463-A465 VanDerWaalsContact O-N 3.1Å; A465-L506 HydrophobicContact CB-CD1 3.88Å; A465-L506 HydrophobicContact CB-CD2 4.29Å
466S97Very high94.2Very high53 Ų5342.4 Ų42.437%0.37124%0.242SC..EExtended strand (participates in β ladder)trans-135.8150.2-177.367.60000112.2I451 G452 H454 I468I451-S466 CarbonylContact C-O 3.56Å; G452-S466 PolarHBondContact N-O 2.91Å; G452-S466 PolarHBondContact O-N 3.41Å; H454-S466 PolarHBondContact NE2-OG 3.41Å; S466-I468 PolarHBondContact O-N 2.87Å
467E96.8Very high94.1Very high76 Ų7642.4 Ų42.436%0.35524%0.242SC..EExtended strand (participates in β ladder)trans-67.4129.3172.2-165176.9143.400109.8V450 I451 Q469V450-E467 CarbonylContact O-C 3.57Å; V450-E467 WeakPolarHBondContact O-CA 3.3Å; I451-E467 HydrophobicContact CD1-CB 4.09Å; I451-E467 HydrophobicContact CD1-CG 4.19Å; E467-Q469 VanDerWaalsContact CG-NE2 3.34Å; E467-Q469 PolarHBondContact OE1-NE2 3.31Å
468I95.7Very high93.9Very high7 Ų743.3 Ų43.34%0.03625%0.251CS..PPolyproline II helixtrans-95.8119.1176.7-51178.5000108.5I436 T440 V450 S466 D472 V473 L484I436-I468 HydrophobicContact CG2-CD1 4.21Å; T440-I468 HydrophobicContact CG2-CB 4.14Å; T440-I468 HydrophobicContact CG2-CG2 3.8Å; V450-I468 HydrophobicContact CG1-CD1 4.49Å; V450-I468 PolarHBondContact O-N 2.96Å; S466-I468 PolarHBondContact O-N 2.87Å; I468-D472 HydrophobicContact CG2-CB 4.02Å; I468-V473 HydrophobicContact CG2-CG1 3.45Å; I468-V473 VanDerWaalsContact CG2-CG1 3.45Å; I468-L484 HydrophobicContact CD1-CD1 4.21Å; I468-L484 HydrophobicContact CD1-CD2 4.06Å
469Q91.2Very high93.8Very high90 Ų9045.6 Ų45.642%0.42126%0.26SS..PPolyproline II helixtrans-88.3165.4177-57.5-60.6-48.500111.9E467 A471 D472E467-Q469 VanDerWaalsContact CG-NE2 3.34Å; E467-Q469 PolarHBondContact OE1-NE2 3.31Å; Q469-A471 PolarHBondContact O-N 2.75Å; Q469-D472 WeakPolarHBondContact CA-OD2 3.28Å; Q469-D472 VanDerWaalsContact CB-OD2 3.31Å; Q469-D472 WeakPolarHBondContact CB-OD2 3.08Å; Q469-D472 PolarHBondContact N-OD2 2.99Å; Q469-D472 PolarHBondContact O-N 2.95Å; Q469-D472 VanDerWaalsContact O-N 3.13Å
470W88Confident93.7Very high31 Ų3146.4 Ų46.412%0.11727%0.268CS..THydrogen-bonded Turntrans-53.6-40.3178.4-176.5-81.6000113.4K406 I407 R441 I444K406-W470 WeakPolarHBondContact O-CH2 3.32Å; I407-W470 HydrophobicContact CG1-CZ2 4.43Å; R441-W470 HydrophobicContact CB-CE3 3.96Å; R441-W470 HydrophobicContact CB-CH2 3.96Å; R441-W470 HydrophobicContact CB-CZ3 3.65Å; R441-W470 HydrophobicContact CG-CD2 3.93Å; R441-W470 HydrophobicContact CG-CE3 3.84Å; R441-W470 HydrophobicContact CG-CH2 4.17Å; R441-W470 HydrophobicContact CG-CZ2 4.26Å; R441-W470 HydrophobicContact CG-CZ3 3.96Å; R441-W470 WeakPolarHBondContact O-CZ3 3.28Å; I444-W470 HydrophobicContact CB-CE3 4.41Å; I444-W470 HydrophobicContact CD1-CB 4.18Å; I444-W470 HydrophobicContact CG2-CE3 4.26Å
471A88Confident93.5Very high46 Ų4647.8 Ų47.838%0.3828%0.283SS..THydrogen-bonded Turntrans-75.6-26.4-177.300000113.2Q469 V473 R474Q469-A471 PolarHBondContact O-N 2.75Å; A471-V473 VanDerWaalsContact C-N 3.33Å; A471-V473 PolarHBondContact O-N 3.41Å; A471-R474 VanDerWaalsContact O-CB 3.31Å; A471-R474 WeakPolarHBondContact O-CB 3.36Å; A471-R474 PolarHBondContact O-N 2.94Å
472D91.3Very high93.4Very high83 Ų8347.1 Ų47.144%0.44428%0.28SS..THydrogen-bonded Turntrans-68.2-34.2-172.7-60.1-23.6000112I468 Q469 R474 W476I468-D472 HydrophobicContact CG2-CB 4.02Å; Q469-D472 WeakPolarHBondContact CA-OD2 3.28Å; Q469-D472 VanDerWaalsContact CB-OD2 3.31Å; Q469-D472 WeakPolarHBondContact CB-OD2 3.08Å; Q469-D472 PolarHBondContact N-OD2 2.99Å; Q469-D472 PolarHBondContact O-N 2.95Å; Q469-D472 VanDerWaalsContact O-N 3.13Å; D472-R474 VanDerWaalsContact C-N 3.3Å; D472-R474 PolarHBondContact O-N 2.85Å; D472-W476 PolarHBondContact O-NE1 2.97Å
473V92.8Very high93.4Very high0 Ų043.5 Ų43.50%027%0.267CS..THydrogen-bonded Turntrans-89.313.7-179.1-62.10000113.7I436 R437 T440 R441 I468 A471 G475 W476I436-V473 HydrophobicContact CG2-CG1 4.21Å; R437-V473 HydrophobicContact CB-CB 4.01Å; R437-V473 HydrophobicContact CB-CG2 4.31Å; R437-V473 HydrophobicContact CG-CB 4.09Å; R437-V473 HydrophobicContact CG-CG2 4.02Å; R437-V473 VanDerWaalsContact CG-O 3.25Å; R437-V473 WeakPolarHBondContact CG-O 3.44Å; T440-V473 HydrophobicContact CG2-CG1 4.26Å; T440-V473 HydrophobicContact CG2-CG2 4.28Å; R441-V473 HydrophobicContact CG-CG2 4.16Å; I468-V473 HydrophobicContact CG2-CG1 3.45Å; I468-V473 VanDerWaalsContact CG2-CG1 3.45Å; A471-V473 VanDerWaalsContact C-N 3.33Å; A471-V473 PolarHBondContact O-N 3.41Å; V473-G475 PolarHBondContact O-N 3.15Å; V473-W476 HydrophobicContact CB-CD2 4.23Å; V473-W476 HydrophobicContact CB-CE3 4.41Å; V473-W476 HydrophobicContact CB-CG 4.33Å; V473-W476 HydrophobicContact CG1-CD2 4.26Å; V473-W476 HydrophobicContact CG1-CE3 4.05Å; V473-W476 HydrophobicContact CG1-CH2 4.48Å; V473-W476 HydrophobicContact CG1-CZ3 4.16Å; V473-W476 WeakPolarHBondContact O-CB 3.21Å; V473-W476 PolarHBondContact O-N 3.23Å
474R87.6Confident93.5Very high62 Ų6241.8 Ų41.823%0.23425%0.248CC..THydrogen-bonded Turntrans-70.1129.8-178.3-177.5178.6-78.7142.4-0.2111H267 G268 Q269 A471 D472 W476H267-R474 PolarHBondContact O-NH1 2.84Å; H267-R474 PolarHBondContact O-NH2 3.02Å; G268-R474 PolarHBondContact O-NH1 2.96Å; Q269-R474 VanDerWaalsContact CA-CZ 3.43Å; Q269-R474 VanDerWaalsContact CA-NH1 3.31Å; Q269-R474 VanDerWaalsContact CB-CZ 3.45Å; Q269-R474 VanDerWaalsContact N-NH1 3.13Å; A471-R474 VanDerWaalsContact O-CB 3.31Å; A471-R474 WeakPolarHBondContact O-CB 3.36Å; A471-R474 PolarHBondContact O-N 2.94Å; D472-R474 VanDerWaalsContact C-N 3.3Å; D472-R474 PolarHBondContact O-N 2.85Å; R474-W476 PolarHBondContact O-N 2.81Å
475G88.7Confident93.5Very high42 Ų4238.5 Ų38.543%0.43323%0.234SC..THydrogen-bonded Turntrans78.61.6178.800000114V473 V477 G478V473-G475 PolarHBondContact O-N 3.15Å; G475-V477 VanDerWaalsContact C-N 3.28Å; G475-V477 PolarHBondContact O-N 3.18Å; G475-G478 PolarHBondContact O-N 2.85Å
476W94Very high93.5Very high29 Ų2938.2 Ų38.211%0.1123%0.229CC..G310 helixtrans-68.2-25.3-177.9-78.837.4000113N433 I436 R437 D472 V473 R474 G478 M479 M483 L484N433-W476 HydrophobicContact CB-CB 4.09Å; N433-W476 HydrophobicContact CB-CE3 4.44Å; N433-W476 WeakPolarHBondContact CB-O 3.4Å; I436-W476 HydrophobicContact CB-CE3 4.31Å; I436-W476 HydrophobicContact CB-CZ3 4.34Å; I436-W476 HydrophobicContact CD1-CZ3 4.26Å; I436-W476 HydrophobicContact CG2-CE3 4.08Å; I436-W476 HydrophobicContact CG2-CZ3 3.76Å; R437-W476 HydrophobicContact CB-CB 4.11Å; D472-W476 PolarHBondContact O-NE1 2.97Å; V473-W476 HydrophobicContact CB-CD2 4.23Å; V473-W476 HydrophobicContact CB-CE3 4.41Å; V473-W476 HydrophobicContact CB-CG 4.33Å; V473-W476 HydrophobicContact CG1-CD2 4.26Å; V473-W476 HydrophobicContact CG1-CE3 4.05Å; V473-W476 HydrophobicContact CG1-CH2 4.48Å; V473-W476 HydrophobicContact CG1-CZ3 4.16Å; V473-W476 WeakPolarHBondContact O-CB 3.21Å; V473-W476 PolarHBondContact O-N 3.23Å; R474-W476 PolarHBondContact O-N 2.81Å; W476-G478 PolarHBondContact O-N 3.07Å; W476-M479 HydrophobicContact CB-CE 4.08Å; W476-M479 HydrophobicContact CD2-CE 4.3Å; W476-M479 HydrophobicContact CG-CE 3.54Å; W476-M479 PolarHBondContact O-N 3.4Å; W476-M479 VanDerWaalsContact O-N 3.14Å; W476-M483 HydrophobicContact CD2-CB 3.91Å; W476-M483 HydrophobicContact CD2-CG 3.75Å; W476-M483 HydrophobicContact CE3-CB 3.7Å; W476-M483 HydrophobicContact CE3-CG 3.94Å; W476-M483 HydrophobicContact CG-CG 4.33Å; W476-M483 HydrophobicContact CH2-CB 3.31Å; W476-M483 HydrophobicContact CH2-CG 4.22Å; W476-M483 HydrophobicContact CZ2-CB 3.52Å; W476-M483 HydrophobicContact CZ2-CE 4.3Å; W476-M483 HydrophobicContact CZ2-CG 4.03Å; W476-M483 HydrophobicContact CZ3-CB 3.4Å; W476-M483 VanDerWaalsContact CZ3-CB 3.4Å; W476-M483 HydrophobicContact CZ3-CG 4.17Å; W476-L484 HydrophobicContact CH2-CD2 4.35Å; W476-L484 HydrophobicContact CZ3-CG 4.46Å
477V93.6Very high93.4Very high1 Ų141.7 Ų41.71%0.00623%0.234CC..G310 helixtrans-59.5-35.2177.8170.50000112.3A236 E238 A434 R437 G475 P686 R691A236-V477 VanDerWaalsContact O-CG1 3.22Å; A236-V477 WeakPolarHBondContact O-CG1 3.38Å; E238-V477 HydrophobicContact CG-CB 3.7Å; E238-V477 HydrophobicContact CG-CG1 4.33Å; E238-V477 HydrophobicContact CG-CG2 3.52Å; E238-V477 VanDerWaalsContact OE1-CB 3.24Å; E238-V477 WeakPolarHBondContact OE1-CB 3.43Å; E238-V477 WeakPolarHBondContact OE1-CG2 3.21Å; E238-V477 PolarHBondContact OE1-N 2.63Å; A434-V477 HydrophobicContact CB-CB 4.25Å; A434-V477 HydrophobicContact CB-CG1 4.13Å; A434-V477 HydrophobicContact CB-CG2 4Å; R437-V477 HydrophobicContact CB-CG2 4.2Å; R437-V477 HydrophobicContact CG-CG2 4.01Å; G475-V477 VanDerWaalsContact C-N 3.28Å; G475-V477 PolarHBondContact O-N 3.18Å; V477-P686 WeakPolarHBondContact O-CG 3.41Å; V477-R691 HydrophobicContact CG1-CB 3.92Å; V477-R691 HydrophobicContact CG1-CG 4.11Å; V477-R691 WeakPolarHBondContact O-CG 3.11Å
478G92.9Very high93.3Very high19 Ų1944.9 Ų44.920%0.19624%0.243CC..G310 helixtrans-86.7-1.1179.800000115.4G475 W476 P686G475-G478 PolarHBondContact O-N 2.85Å; W476-G478 PolarHBondContact O-N 3.07Å; G478-P686 WeakPolarHBondContact O-CD 3.25Å
479M94.6Very high93.3Very high66 Ų6647.9 Ų47.933%0.32526%0.259SS..  trans-98.4131.8-176-65.8-163.9-73.300111.8N433 W476 M483N433-M479 PolarHBondContact ND2-O 3.25Å; W476-M479 HydrophobicContact CB-CE 4.08Å; W476-M479 HydrophobicContact CD2-CE 4.3Å; W476-M479 HydrophobicContact CG-CE 3.54Å; W476-M479 PolarHBondContact O-N 3.4Å; W476-M479 VanDerWaalsContact O-N 3.14Å; M479-M483 HydrophobicContact CE-CE 4.05Å; M479-M483 HydrophobicContact CE-CG 3.92Å; M479-M483 HydrophobicContact CE-SD 3.82Å; M479-M483 HydrophobicContact SD-SD 4.11Å
480G94.8Very high93.5Very high19 Ų1945 Ų4520%0.19625%0.247CC..  trans-76.1-173.3166.900000112.9N433 D684N433-G480 PolarHBondContact ND2-O 3.43Å; G480-D684 WeakPolarHBondContact CA-O 3.14Å; G480-D684 PolarHBondContact N-O 2.81Å
481G94.2Very high93.9Very high31 Ų3143.5 Ų43.532%0.3224%0.242SC..SBendtrans67.5-151.8-178.200000113.6N433N433-G481 PolarHBondContact ND2-O 3.26Å
482S95.9Very high94.3Very high25 Ų2545.2 Ų45.218%0.17524%0.244CC..  trans-137.1111.5179.2176.90000110.3N424 L484 G485N424-S482 PolarHBondContact ND2-OG 2.75Å; S482-L484 VanDerWaalsContact C-N 3.31Å; S482-L484 PolarHBondContact O-N 3.31Å; S482-G485 PolarHBondContact O-N 3.38Å; S482-G485 VanDerWaalsContact OG-C 3.24Å; S482-G485 PolarHBondContact OG-N 3.32Å; S482-G485 PolarHBondContact OG-O 3.34Å
483M96Very high94.5Very high87 Ų8744.5 Ų44.543%0.42926%0.257SS..THydrogen-bonded Turntrans-72.6-21.6-178.6-66.2-57.7-62.400113.8N433 W476 M479 G485N433-M483 WeakPolarHBondContact OD1-CG 3.32Å; N433-M483 PolarHBondContact OD1-N 3.02Å; W476-M483 HydrophobicContact CD2-CB 3.91Å; W476-M483 HydrophobicContact CD2-CG 3.75Å; W476-M483 HydrophobicContact CE3-CB 3.7Å; W476-M483 HydrophobicContact CE3-CG 3.94Å; W476-M483 HydrophobicContact CG-CG 4.33Å; W476-M483 HydrophobicContact CH2-CB 3.31Å; W476-M483 HydrophobicContact CH2-CG 4.22Å; W476-M483 HydrophobicContact CZ2-CB 3.52Å; W476-M483 HydrophobicContact CZ2-CE 4.3Å; W476-M483 HydrophobicContact CZ2-CG 4.03Å; W476-M483 HydrophobicContact CZ3-CB 3.4Å; W476-M483 VanDerWaalsContact CZ3-CB 3.4Å; W476-M483 HydrophobicContact CZ3-CG 4.17Å; M479-M483 HydrophobicContact CE-CE 4.05Å; M479-M483 HydrophobicContact CE-CG 3.92Å; M479-M483 HydrophobicContact CE-SD 3.82Å; M479-M483 HydrophobicContact SD-SD 4.11Å; M483-G485 VanDerWaalsContact C-N 3.31Å
484L96.5Very high94.6Very high4 Ų446.5 Ų46.52%0.02127%0.267CS..THydrogen-bonded Turntrans-88.22.1170-64.6179.1000112.4I422 I436 H454 E455 I468 W476 S482I422-L484 HydrophobicContact CG2-CD1 4.35Å; I436-L484 HydrophobicContact CD1-CD1 3.89Å; I436-L484 HydrophobicContact CD1-CG 4.12Å; I436-L484 HydrophobicContact CG1-CD1 4.49Å; I436-L484 HydrophobicContact CG2-CD1 4.46Å; H454-L484 CarbonylContact C-O 3.55Å; H454-L484 WeakPolarHBondContact CA-O 3.37Å; E455-L484 PolarHBondContact N-O 3.3Å; I468-L484 HydrophobicContact CD1-CD1 4.21Å; I468-L484 HydrophobicContact CD1-CD2 4.06Å; W476-L484 HydrophobicContact CH2-CD2 4.35Å; W476-L484 HydrophobicContact CZ3-CG 4.46Å; S482-L484 VanDerWaalsContact C-N 3.31Å; S482-L484 PolarHBondContact O-N 3.31Å
485G96.5Very high95Very high11 Ų1144.3 Ų44.311%0.11326%0.264CS..  trans70.3169.6-16700000112.1N424 E455 S482 M483N424-G485 WeakPolarHBondContact CB-O 3.27Å; E455-G485 WeakPolarHBondContact OE1-CA 3.42Å; S482-G485 PolarHBondContact O-N 3.38Å; S482-G485 VanDerWaalsContact OG-C 3.24Å; S482-G485 PolarHBondContact OG-N 3.32Å; S482-G485 PolarHBondContact OG-O 3.34Å; M483-G485 VanDerWaalsContact C-N 3.31Å
486T96.7Very high95.4Very high21 Ų2143.3 Ų43.313%0.12925%0.248CC..  trans-156.9142.9177.4-176.70000109.9G426 P428G426-T486 PolarHBondContact N-OG1 3.49Å; G426-T486 VanDerWaalsContact O-CG2 3.3Å; G426-T486 WeakPolarHBondContact O-CG2 3.44Å; G426-T486 PolarHBondContact O-OG1 2.73Å; P428-T486 HydrophobicContact CB-CG2 4.22Å
487R95.8Very high95.6Very high126 Ų12645.8 Ų45.848%0.47526%0.264SS..BIsolated β-bridgetrans-137162.2179.5-63-66.2174.1-167.7-3.7110.2V425 G426 E455V425-R487 CarbonylContact C-O 3.5Å; V425-R487 WeakPolarHBondContact CA-O 3.37Å; G426-R487 PolarHBondContact N-O 3.15Å; E455-R487 HydrophobicContact CB-CG 4.44Å; E455-R487 WeakPolarHBondContact O-CG 3.31Å; E455-R487 IonicContact OE2-CZ 3.95Å; E455-R487 IonicContact OE2-NE 2.67Å; E455-R487 PolarHBondContact OE2-NE 3.1Å; E455-R487 IonicContact OE2-NH2 2.75Å; E455-R487 PolarHBondContact OE2-NH2 3.36Å
488R95Very high95.8Very high143 Ų14350.9 Ų50.954%0.5429%0.286SS..  trans-94.5-3179.3-66.3-177.8-175.3-124.311.6113.6E518R488-E518 HydrophobicContact CB-CG 4.09Å; R488-E518 HydrophobicContact CG-CG 4.26Å; R488-E518 IonicContact CZ-OE1 3.7Å; R488-E518 IonicContact NE-OE1 2.82Å; R488-E518 IonicContact NH1-OE1 3.84Å; R488-E518 PolarHBondContact NH1-OE1 3.06Å
489D94.4Very high96Very high70 Ų7050 Ų5037%0.37428%0.276SS..  trans-66.2134.7-177-51-62.8000111.1S458 L494S458-D489 WeakPolarHBondContact CB-OD2 3.22Å; D489-L494 HydrophobicContact CB-CD1 3.83Å; D489-L494 HydrophobicContact CB-CD2 4.2Å; D489-L494 HydrophobicContact CB-CG 4.05Å
490T95.8Very high96.1Very high29 Ų2946.8 Ų46.818%0.17826%0.261CS..  trans-97.7154.717975.80000112.2N492 G493 L494 E525T490-N492 VanDerWaalsContact C-N 3.33Å; T490-N492 PolarHBondContact O-N 3.3Å; T490-G493 PolarHBondContact O-N 2.75Å; T490-G493 VanDerWaalsContact O-N 3.1Å; T490-G493 PolarHBondContact OG1-N 2.94Å; T490-L494 PolarHBondContact O-N 2.96Å; T490-L494 VanDerWaalsContact O-N 3.15Å; T490-E525 WeakPolarHBondContact CB-OE1 3.48Å; T490-E525 VanDerWaalsContact CB-OE2 3.25Å; T490-E525 WeakPolarHBondContact CB-OE2 3.25Å; T490-E525 PolarHBondContact OG1-OE1 3.22Å; T490-E525 PolarHBondContact OG1-OE2 3.42Å
491P97.1Very high96.3Very high0 Ų048.4 Ų48.40%027%0.272CS..Hα-helixtrans-48.7-46.8175.7-30.533.7000114.7F457 L494 G495 I496 V499 C522 E525 L526F457-P491 HydrophobicContact CD1-CG 4.34Å; F457-P491 HydrophobicContact CD2-CG 3.97Å; F457-P491 HydrophobicContact CE1-CG 4.32Å; F457-P491 HydrophobicContact CE2-CG 3.94Å; F457-P491 HydrophobicContact CG-CG 4.19Å; F457-P491 HydrophobicContact CZ-CG 4.12Å; P491-L494 PolarHBondContact O-N 3.32Å; P491-G495 CarbonylContact O-C 3.46Å; P491-G495 PolarHBondContact O-N 3.32Å; P491-I496 HydrophobicContact CB-CG1 4.46Å; P491-I496 PolarHBondContact O-N 3.37Å; P491-I496 VanDerWaalsContact O-N 3.12Å; P491-V499 HydrophobicContact CB-CG2 4.24Å; P491-C522 WeakPolarHBondContact CD-SG 2.95Å; P491-C522 HydrophobicContact CG-CB 4.21Å; P491-E525 HydrophobicContact CB-CB 4.48Å; P491-E525 WeakPolarHBondContact CD-OE2 3.43Å; P491-E525 VanDerWaalsContact N-OE2 3.15Å; P491-L526 HydrophobicContact CB-CD2 4.27Å; P491-L526 HydrophobicContact CG-CD2 4.01Å; P491-L526 HydrophobicContact CG-CG 4.06Å
492N96.2Very high96.4Very high81 Ų8148.8 Ų48.843%0.43327%0.265SS..Hα-helixtrans-66.4-38.9178.2-76.7-25.1000111.8T490 L494 G495 E525T490-N492 VanDerWaalsContact C-N 3.33Å; T490-N492 PolarHBondContact O-N 3.3Å; N492-L494 PolarHBondContact O-N 3.08Å; N492-G495 PolarHBondContact O-N 3.2Å; N492-E525 HydrophobicContact CB-CG 4.44Å; N492-E525 WeakPolarHBondContact CB-OE2 3.47Å; N492-E525 PolarHBondContact N-OE2 2.98Å; N492-E525 VanDerWaalsContact ND2-CD 3.33Å; N492-E525 VanDerWaalsContact ND2-CG 3.27Å; N492-E525 WeakPolarHBondContact ND2-CG 3.43Å
493G95.7Very high96.5Very high68 Ų6847.8 Ų47.870%0.70126%0.257SS*.Hα-helixtrans-62-30.5177.100000113.6T490T490-G493 PolarHBondContact O-N 2.75Å; T490-G493 VanDerWaalsContact O-N 3.1Å; T490-G493 PolarHBondContact OG1-N 2.94Å
494L95.9Very high96.5Very high42 Ų4250.6 Ų50.622%0.2227%0.267CS..Hα-helixtrans-92.7-17.7179.5-65.3169.8000113.9F457 S458 V461 D489 T490 P491 N492 K498F457-L494 VanDerWaalsContact C-CD1 3.41Å; F457-L494 HydrophobicContact CB-CD1 3.66Å; S458-L494 VanDerWaalsContact N-CD1 3.35Å; V461-L494 HydrophobicContact CG2-CB 4.41Å; D489-L494 HydrophobicContact CB-CD1 3.83Å; D489-L494 HydrophobicContact CB-CD2 4.2Å; D489-L494 HydrophobicContact CB-CG 4.05Å; T490-L494 PolarHBondContact O-N 2.96Å; T490-L494 VanDerWaalsContact O-N 3.15Å; P491-L494 PolarHBondContact O-N 3.32Å; N492-L494 PolarHBondContact O-N 3.08Å; L494-K498 PolarHBondContact O-NZ 2.71Å
495G96Very high96.5Very high16 Ų1656 Ų5617%0.16529%0.292CS..  trans101.2102-168.500000110.7P491 N492 D497 K498 V499P491-G495 CarbonylContact O-C 3.46Å; P491-G495 PolarHBondContact O-N 3.32Å; N492-G495 PolarHBondContact O-N 3.2Å; G495-D497 WeakPolarHBondContact CA-OD1 3.2Å; G495-D497 PolarHBondContact O-N 3.11Å; G495-K498 WeakPolarHBondContact O-CB 3.43Å; G495-K498 PolarHBondContact O-N 2.97Å; G495-V499 PolarHBondContact O-N 3.06Å
496I96.9Very high96.5Very high22 Ų2256.7 Ų56.711%0.11329%0.293CS..Hα-helixtrans-61.7-27.4-177.4-168.3165.2000112.6P491 K498 V499 A500 E525 Y533 L536P491-I496 HydrophobicContact CB-CG1 4.46Å; P491-I496 PolarHBondContact O-N 3.37Å; P491-I496 VanDerWaalsContact O-N 3.12Å; I496-K498 VanDerWaalsContact C-N 3.34Å; I496-K498 PolarHBondContact O-N 3.08Å; I496-V499 PolarHBondContact O-N 2.89Å; I496-A500 VanDerWaalsContact O-CB 3.29Å; I496-A500 WeakPolarHBondContact O-CB 3.48Å; I496-A500 PolarHBondContact O-N 3.48Å; I496-E525 WeakPolarHBondContact CD1-O 3.35Å; I496-Y533 HydrophobicContact CG1-CD2 4.46Å; I496-Y533 HydrophobicContact CG1-CE2 4.45Å; I496-Y533 HydrophobicContact CG2-CD2 4.47Å; I496-Y533 HydrophobicContact CG2-CE2 3.66Å; I496-L536 HydrophobicContact CD1-CD1 4.12Å; I496-L536 HydrophobicContact CG1-CD1 4.12Å
497D97.1Very high96.5Very high80 Ų8062.9 Ų62.943%0.42832%0.319SS..Hα-helixtrans-60.3-41.6172.460.8-51.7000112G495 A501 Y533G495-D497 WeakPolarHBondContact CA-OD1 3.2Å; G495-D497 PolarHBondContact O-N 3.11Å; D497-A501 WeakPolarHBondContact O-CB 3.41Å; D497-A501 PolarHBondContact O-N 2.99Å; D497-Y533 HydrophobicContact CB-CE1 4.03Å; D497-Y533 WeakPolarHBondContact CB-OH 3.38Å
498K97.5Very high96.5Very high108 Ų10857.5 Ų57.547%0.4730%0.299SS..Hα-helixtrans-70.8-39.1178.1-57.9177.8-168.8157.60111.4V461 L494 G495 I496 A501 K502V461-K498 HydrophobicContact CG1-CB 4.09Å; V461-K498 HydrophobicContact CG1-CD 4.06Å; V461-K498 HydrophobicContact CG2-CB 4.16Å; L494-K498 PolarHBondContact O-NZ 2.71Å; G495-K498 WeakPolarHBondContact O-CB 3.43Å; G495-K498 PolarHBondContact O-N 2.97Å; I496-K498 VanDerWaalsContact C-N 3.34Å; I496-K498 PolarHBondContact O-N 3.08Å; K498-A501 PolarHBondContact O-N 3.38Å; K498-K502 WeakPolarHBondContact O-CG 3.42Å; K498-K502 PolarHBondContact O-N 3.23Å; K498-K502 VanDerWaalsContact O-N 3.16Å
499V97.8Very high96.6Very high0 Ų051.1 Ų51.10%028%0.277CS..Hα-helixtrans-62-49.2175.1174.30000110F457 L460 V461 P491 G495 I496 A501 K502 F503 L526F457-V499 HydrophobicContact CD1-CG1 4.01Å; F457-V499 HydrophobicContact CD1-CG2 4.48Å; F457-V499 HydrophobicContact CE1-CG1 4.2Å; L460-V499 HydrophobicContact CD2-CG1 4.04Å; V461-V499 HydrophobicContact CG2-CG2 3.85Å; P491-V499 HydrophobicContact CB-CG2 4.24Å; G495-V499 PolarHBondContact O-N 3.06Å; I496-V499 PolarHBondContact O-N 2.89Å; V499-A501 PolarHBondContact O-N 3.35Å; V499-K502 PolarHBondContact O-N 3.31Å; V499-K502 VanDerWaalsContact O-N 3.13Å; V499-F503 HydrophobicContact CG1-CD2 4.08Å; V499-F503 HydrophobicContact CG1-CE2 3.68Å; V499-F503 HydrophobicContact CG1-CZ 4.44Å; V499-F503 VanDerWaalsContact O-CD2 3.25Å; V499-F503 WeakPolarHBondContact O-CD2 3.44Å; V499-F503 PolarHBondContact O-N 3.3Å; V499-L526 HydrophobicContact CG1-CD2 4.15Å
500A97.5Very high96.7Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-59-46.4176.900000111.9I496 K502 F503 K504 Y533 E535 L536I496-A500 VanDerWaalsContact O-CB 3.29Å; I496-A500 WeakPolarHBondContact O-CB 3.48Å; I496-A500 PolarHBondContact O-N 3.48Å; A500-K502 PolarHBondContact O-N 3.21Å; A500-K502 VanDerWaalsContact O-N 3.16Å; A500-F503 WeakPolarHBondContact O-CB 3.06Å; A500-F503 PolarHBondContact O-N 3.3Å; A500-K504 PolarHBondContact O-N 3.28Å; A500-Y533 HydrophobicContact CB-CD1 3.73Å; A500-Y533 HydrophobicContact CB-CD2 4.38Å; A500-Y533 HydrophobicContact CB-CE1 4.49Å; A500-Y533 HydrophobicContact CB-CG 3.67Å; A500-E535 HydrophobicContact CB-CG 3.7Å; A500-E535 WeakPolarHBondContact CB-OE1 3.38Å; A500-E535 WeakPolarHBondContact O-CG 3.2Å; A500-L536 HydrophobicContact CB-CD1 4.5Å; A500-L536 HydrophobicContact CB-CD2 4.22Å; A500-L536 HydrophobicContact CB-CG 4.24Å
501A97.5Very high96.8Very high52 Ų5246.4 Ų46.443%0.4325%0.25SS..Hα-helixtrans-54.4-39.2175.500000112.5D497 K498 V499 K504 E505D497-A501 WeakPolarHBondContact O-CB 3.41Å; D497-A501 PolarHBondContact O-N 2.99Å; K498-A501 PolarHBondContact O-N 3.38Å; V499-A501 PolarHBondContact O-N 3.35Å; A501-K504 PolarHBondContact O-N 3.04Å; A501-E505 WeakPolarHBondContact O-CB 3.46Å; A501-E505 PolarHBondContact O-N 2.99Å
502K97.7Very high96.9Very high39 Ų3946.4 Ų46.417%0.1725%0.25CS..Hα-helixtrans-72.6-34.7176.5-71.7-70.3179.1-165.90113.8L460 K498 V499 A500 K504 E505 L506L460-K502 HydrophobicContact CD1-CB 3.95Å; L460-K502 HydrophobicContact CD2-CB 4.32Å; L460-K502 HydrophobicContact CG-CB 3.84Å; L460-K502 HydrophobicContact CG-CG 4.42Å; L460-K502 WeakPolarHBondContact O-CG 3.38Å; K498-K502 WeakPolarHBondContact O-CG 3.42Å; K498-K502 PolarHBondContact O-N 3.23Å; K498-K502 VanDerWaalsContact O-N 3.16Å; V499-K502 PolarHBondContact O-N 3.31Å; V499-K502 VanDerWaalsContact O-N 3.13Å; A500-K502 PolarHBondContact O-N 3.21Å; A500-K502 VanDerWaalsContact O-N 3.16Å; K502-K504 VanDerWaalsContact C-N 3.27Å; K502-K504 PolarHBondContact O-N 3.17Å; K502-E505 WeakPolarHBondContact CD-OE2 3.46Å; K502-E505 WeakPolarHBondContact CE-OE2 3.41Å; K502-E505 VanDerWaalsContact NZ-CD 3.27Å; K502-E505 IonicContact NZ-OE1 2.99Å; K502-E505 PolarHBondContact NZ-OE1 3Å; K502-E505 VanDerWaalsContact NZ-OE1 3.07Å; K502-E505 IonicContact NZ-OE2 3.11Å; K502-E505 PolarHBondContact NZ-OE2 2.93Å; K502-E505 PolarHBondContact O-N 2.93Å; K502-L506 WeakPolarHBondContact O-CB 3.35Å; K502-L506 WeakPolarHBondContact O-CG 3.22Å; K502-L506 PolarHBondContact O-N 2.79Å
503F97.3Very high97Very high4 Ų442.6 Ų42.62%0.01823%0.23CC..Hα-helixtrans-59.4-42.8172.2-84.8-135.7000110.8F457 L460 V499 A500 K507 L508 L511 L526 E535 L536 I538 M540F457-F503 HydrophobicContact CE1-CE2 4.33Å; F457-F503 HydrophobicContact CE1-CZ 4.4Å; L460-F503 HydrophobicContact CD2-CD2 3.86Å; L460-F503 HydrophobicContact CD2-CE2 3.53Å; V499-F503 HydrophobicContact CG1-CD2 4.08Å; V499-F503 HydrophobicContact CG1-CE2 3.68Å; V499-F503 HydrophobicContact CG1-CZ 4.44Å; V499-F503 VanDerWaalsContact O-CD2 3.25Å; V499-F503 WeakPolarHBondContact O-CD2 3.44Å; V499-F503 PolarHBondContact O-N 3.3Å; A500-F503 WeakPolarHBondContact O-CB 3.06Å; A500-F503 PolarHBondContact O-N 3.3Å; F503-K507 PolarHBondContact O-N 2.81Å; F503-L508 HydrophobicContact CD1-CD1 4.16Å; F503-L508 HydrophobicContact CD2-CD1 4.13Å; F503-L508 HydrophobicContact CE1-CD1 4.38Å; F503-L508 HydrophobicContact CE2-CD1 4.35Å; F503-L508 HydrophobicContact CG-CD1 4.03Å; F503-L508 HydrophobicContact CZ-CD1 4.48Å; F503-L508 PolarHBondContact O-N 3.42Å; F503-L508 VanDerWaalsContact O-N 3.17Å; F503-L511 HydrophobicContact CE1-CD2 3.97Å; F503-L511 HydrophobicContact CZ-CD1 4.35Å; F503-L511 HydrophobicContact CZ-CD2 3.66Å; F503-L526 HydrophobicContact CZ-CD2 4.36Å; F503-E535 HydrophobicContact CB-CB 4.47Å; F503-L536 HydrophobicContact CD1-CD2 3.73Å; F503-L536 HydrophobicContact CE1-CD2 3.95Å; F503-L536 HydrophobicContact CG-CD2 4.06Å; F503-L536 HydrophobicContact CZ-CD2 4.45Å; F503-I538 HydrophobicContact CD1-CD1 3.84Å; F503-I538 HydrophobicContact CE1-CD1 4Å; F503-M540 HydrophobicContact CE1-CE 4.49Å
504K95.9Very high97.2Very high146 Ų14639.3 Ų39.364%0.63520%0.196SC*.Hα-helixtrans-65.9-44.5175.8-174.3176.8-178.6175.20112.4A500 A501 K502 K507 E535A500-K504 PolarHBondContact O-N 3.28Å; A501-K504 PolarHBondContact O-N 3.04Å; K502-K504 VanDerWaalsContact C-N 3.27Å; K502-K504 PolarHBondContact O-N 3.17Å; K504-K507 PolarHBondContact O-N 3.3Å; K504-E535 HydrophobicContact CB-CB 4.17Å
505E96.7Very high97.3Very high117 Ų11737.3 Ų37.355%0.54719%0.186SC..Hα-helixtrans-59.3-46.7177.2-175.7-176.5138.500111.8A501 K502 K507A501-E505 WeakPolarHBondContact O-CB 3.46Å; A501-E505 PolarHBondContact O-N 2.99Å; K502-E505 WeakPolarHBondContact CD-OE2 3.46Å; K502-E505 WeakPolarHBondContact CE-OE2 3.41Å; K502-E505 VanDerWaalsContact NZ-CD 3.27Å; K502-E505 IonicContact NZ-OE1 2.99Å; K502-E505 PolarHBondContact NZ-OE1 3Å; K502-E505 VanDerWaalsContact NZ-OE1 3.07Å; K502-E505 IonicContact NZ-OE2 3.11Å; K502-E505 PolarHBondContact NZ-OE2 2.93Å; K502-E505 PolarHBondContact O-N 2.93Å; E505-K507 VanDerWaalsContact C-N 3.26Å; E505-K507 PolarHBondContact O-N 2.97Å
506L96.2Very high97.3Very high26 Ų2636.7 Ų36.714%0.13618%0.179CC..Hα-helixtrans-75.7-14.2179.7-67.8176.2000113.3R419 I451 L460 A465 K502 L508R419-L506 WeakPolarHBondContact CD-O 3.1Å; R419-L506 PolarHBondContact NH1-O 3.5Å; I451-L506 HydrophobicContact CG2-CD1 4.43Å; L460-L506 HydrophobicContact CD1-CD1 3.57Å; A465-L506 HydrophobicContact CB-CD1 3.88Å; A465-L506 HydrophobicContact CB-CD2 4.29Å; K502-L506 WeakPolarHBondContact O-CB 3.35Å; K502-L506 WeakPolarHBondContact O-CG 3.22Å; K502-L506 PolarHBondContact O-N 2.79Å; L506-L508 HydrophobicContact CB-CD2 3.92Å; L506-L508 HydrophobicContact CB-CG 3.95Å
507K95.7Very high97.4Very high152 Ų15235.7 Ų35.766%0.66117%0.174SC*.THydrogen-bonded Turntrans56.947.6-175.2-55.9-178.5179.7-176.40112.2F503 K504 E505F503-K507 PolarHBondContact O-N 2.81Å; K504-K507 PolarHBondContact O-N 3.3Å; E505-K507 VanDerWaalsContact C-N 3.26Å; E505-K507 PolarHBondContact O-N 2.97Å
508L96.6Very high97.4Very high13 Ų1332.6 Ų32.67%0.06816%0.157CC..EExtended strand (participates in β ladder)trans-67134.2178.9-58.7-176.2000110.5R419 I451 I453 F503 L506 I538R419-L508 HydrophobicContact CB-CD2 4.47Å; I451-L508 HydrophobicContact CB-CD2 4.37Å; I451-L508 HydrophobicContact CG1-CD2 4.34Å; I453-L508 HydrophobicContact CD1-CD1 4.46Å; F503-L508 HydrophobicContact CD1-CD1 4.16Å; F503-L508 HydrophobicContact CD2-CD1 4.13Å; F503-L508 HydrophobicContact CE1-CD1 4.38Å; F503-L508 HydrophobicContact CE2-CD1 4.35Å; F503-L508 HydrophobicContact CG-CD1 4.03Å; F503-L508 HydrophobicContact CZ-CD1 4.48Å; F503-L508 PolarHBondContact O-N 3.42Å; F503-L508 VanDerWaalsContact O-N 3.17Å; L506-L508 HydrophobicContact CB-CD2 3.92Å; L506-L508 HydrophobicContact CB-CG 3.95Å; L508-I538 HydrophobicContact CB-CD1 3.88Å
509S96.8Very high97.4Very high9 Ų927.5 Ų27.56%0.06314%0.135CC..EExtended strand (participates in β ladder)trans-108.1-13.5177.8-47.70000112.2R419 P539R419-S509 PolarHBondContact N-OG 3.07Å; R419-S509 WeakPolarHBondContact O-CB 3.47Å; R419-S509 PolarHBondContact O-N 2.87Å; S509-P539 WeakPolarHBondContact O-CD 3.45Å
510G97.4Very high97.4Very high0 Ų027.5 Ų27.50%014%0.135CC..EExtended strand (participates in β ladder)trans-163.3164.9172.100000110.4I420 G421 P539I420-G510 WeakPolarHBondContact CA-O 3.27Å; G421-G510 PolarHBondContact N-O 2.74Å; G510-P539 CarbonylContact C-O 3.5Å; G510-P539 VanDerWaalsContact CA-O 3.26Å; G510-P539 WeakPolarHBondContact CA-O 3.25Å
511L98.3Very high97.4Very high0 Ų029.9 Ų29.90%015%0.146CC..EExtended strand (participates in β ladder)trans-137.2134.4-179.7-175.170.9000111.4G421 V423 I453 F503 I513 L526 I538 P539 M540 A541G421-L511 CarbonylContact O-C 3.56Å; G421-L511 WeakPolarHBondContact O-CA 3.35Å; V423-L511 HydrophobicContact CG1-CD1 4.2Å; I453-L511 HydrophobicContact CD1-CD1 4.16Å; F503-L511 HydrophobicContact CE1-CD2 3.97Å; F503-L511 HydrophobicContact CZ-CD1 4.35Å; F503-L511 HydrophobicContact CZ-CD2 3.66Å; L511-I513 HydrophobicContact CD2-CD1 3.71Å; L511-I513 HydrophobicContact CD2-CG1 3.66Å; L511-I513 HydrophobicContact CG-CD1 4.5Å; L511-I513 HydrophobicContact CG-CG1 3.91Å; L511-L526 HydrophobicContact CD2-CD1 3.92Å; L511-I538 HydrophobicContact CB-CD1 4.49Å; L511-P539 PolarHBondContact N-O 2.99Å; L511-M540 HydrophobicContact CB-CB 4.44Å; L511-M540 HydrophobicContact CB-CG 4.09Å; L511-M540 HydrophobicContact CD2-CG 4.49Å; L511-M540 HydrophobicContact CD2-SD 4.07Å; L511-M540 CarbonylContact O-C 3.58Å; L511-M540 VanDerWaalsContact O-CA 3.31Å; L511-M540 WeakPolarHBondContact O-CA 3.45Å; L511-A541 PolarHBondContact O-N 3.26Å
512L98.7Very high97.4Very high0 Ų027.4 Ų27.40%013%0.126CC..EExtended strand (participates in β ladder)trans-107.1122.2164.3179.864.9000109.4G421 I422 V423 V435 F439 I514 A541 V543 A701G421-L512 PolarHBondContact O-N 2.82Å; I422-L512 WeakPolarHBondContact CA-O 3.39Å; I422-L512 HydrophobicContact CG1-CB 4.35Å; I422-L512 HydrophobicContact CG2-CB 4.49Å; I422-L512 HydrophobicContact CG2-CD2 4.25Å; V423-L512 PolarHBondContact N-O 3.12Å; V435-L512 HydrophobicContact CG1-CD2 4.07Å; F439-L512 HydrophobicContact CB-CD2 4.11Å; F439-L512 HydrophobicContact CD1-CD2 4.13Å; F439-L512 HydrophobicContact CD2-CD2 3.54Å; F439-L512 HydrophobicContact CE1-CD2 4.42Å; F439-L512 HydrophobicContact CE2-CB 4.32Å; F439-L512 HydrophobicContact CE2-CD2 3.87Å; F439-L512 HydrophobicContact CG-CD2 3.64Å; F439-L512 HydrophobicContact CZ-CB 4.16Å; F439-L512 HydrophobicContact CZ-CD2 4.29Å; L512-I514 HydrophobicContact CD2-CD1 4.05Å; L512-I514 HydrophobicContact CD2-CG1 4.11Å; L512-I514 HydrophobicContact CG-CD1 4.45Å; L512-I514 HydrophobicContact CG-CG1 4.01Å; L512-A541 WeakPolarHBondContact CA-O 3.43Å; L512-A541 HydrophobicContact CD1-CB 4.14Å; L512-V543 HydrophobicContact CD1-CG2 3.95Å; L512-A701 HydrophobicContact CD1-CB 3.94Å
513I98.5Very high97.3Very high0 Ų025.5 Ų25.50%012%0.117CC..EExtended strand (participates in β ladder)trans-106.7128.9171-50.3-164.8000108.8V423 V425 F457 L511 A519 M523 L526 A541 M542 V543V423-I513 HydrophobicContact CG1-CB 4.26Å; V423-I513 HydrophobicContact CG1-CD1 4.36Å; V423-I513 HydrophobicContact CG1-CG1 3.84Å; V423-I513 HydrophobicContact CG1-CG2 4.15Å; V423-I513 WeakPolarHBondContact O-CA 3.36Å; V425-I513 HydrophobicContact CB-CG2 4.43Å; V425-I513 HydrophobicContact CG2-CG2 4Å; F457-I513 HydrophobicContact CE2-CD1 4.37Å; F457-I513 HydrophobicContact CZ-CD1 3.9Å; L511-I513 HydrophobicContact CD2-CD1 3.71Å; L511-I513 HydrophobicContact CD2-CG1 3.66Å; L511-I513 HydrophobicContact CG-CD1 4.5Å; L511-I513 HydrophobicContact CG-CG1 3.91Å; I513-A519 HydrophobicContact CG2-CB 3.73Å; I513-M523 HydrophobicContact CB-SD 4.24Å; I513-M523 HydrophobicContact CD1-CG 3.9Å; I513-M523 HydrophobicContact CD1-SD 3.44Å; I513-M523 WeakPolarHBondContact CD1-SD 3.11Å; I513-M523 HydrophobicContact CG1-SD 3.78Å; I513-L526 HydrophobicContact CD1-CD1 3.76Å; I513-A541 PolarHBondContact N-O 2.99Å; I513-M542 CarbonylContact O-C 3.6Å; I513-M542 VanDerWaalsContact O-CA 3.23Å; I513-M542 WeakPolarHBondContact O-CA 3.39Å; I513-V543 PolarHBondContact O-N 2.99Å
514I98.7Very high97.3Very high0 Ų025.8 Ų25.80%012%0.119CC..EExtended strand (participates in β ladder)trans-118.2126.1177.1-49.6165.2000108.1I422 V423 N424 V425 I432 V435 I436 L512 V543 A545I422-I514 HydrophobicContact CG2-CD1 3.95Å; V423-I514 PolarHBondContact O-N 2.99Å; N424-I514 CarbonylContact C-O 3.44Å; N424-I514 VanDerWaalsContact CA-O 3.25Å; N424-I514 WeakPolarHBondContact CA-O 3.38Å; V425-I514 PolarHBondContact N-O 2.83Å; I432-I514 HydrophobicContact CB-CG2 4.39Å; I432-I514 HydrophobicContact CG1-CG2 3.93Å; I432-I514 HydrophobicContact CG2-CG2 4.15Å; V435-I514 HydrophobicContact CB-CD1 3.87Å; V435-I514 HydrophobicContact CG1-CD1 3.55Å; V435-I514 HydrophobicContact CG1-CG1 4.07Å; I436-I514 HydrophobicContact CD1-CD1 4.48Å; I436-I514 HydrophobicContact CG1-CD1 3.65Å; L512-I514 HydrophobicContact CD2-CD1 4.05Å; L512-I514 HydrophobicContact CD2-CG1 4.11Å; L512-I514 HydrophobicContact CG-CD1 4.45Å; L512-I514 HydrophobicContact CG-CG1 4.01Å; I514-V543 WeakPolarHBondContact CA-O 3.37Å; I514-V543 HydrophobicContact CG1-CB 4.41Å; I514-V543 HydrophobicContact CG2-CB 4.36Å; I514-V543 HydrophobicContact CG2-CG1 4.48Å; I514-A545 HydrophobicContact CG2-CB 3.82Å
515G98.1Very high97.3Very high0 Ų020.2 Ų20.20%010%0.095CC..EExtended strand (participates in β ladder)trans163.2-174.7-178.700000116.9V425 M542 V543 P544 A545V425-G515 WeakPolarHBondContact O-CA 3.47Å; G515-M542 WeakPolarHBondContact O-CE 3.37Å; G515-V543 PolarHBondContact N-O 3.25Å; G515-P544 CarbonylContact O-C 3.45Å; G515-P544 WeakPolarHBondContact O-CA 3.25Å; G515-A545 CarbonylContact C-O 3.42Å; G515-A545 PolarHBondContact O-N 2.91Å
516G97.5Very high97.4Very high3 Ų314.6 Ų14.63%0.0317%0.069CC..SBendtrans-83.8-149.1-17600000112.7V425 E518 A519 Y520 M542 A545V425-G516 PolarHBondContact O-N 2.93Å; G516-E518 VanDerWaalsContact C-N 3.29Å; G516-E518 PolarHBondContact O-N 3.07Å; G516-A519 VanDerWaalsContact O-CB 3.29Å; G516-A519 WeakPolarHBondContact O-CB 3.18Å; G516-A519 PolarHBondContact O-N 3.1Å; G516-A519 VanDerWaalsContact O-N 3.08Å; G516-Y520 PolarHBondContact O-N 3.33Å; G516-M542 WeakPolarHBondContact O-CE 3.38Å; G516-A545 WeakPolarHBondContact CA-O 3.34Å; G516-A545 PolarHBondContact N-O 3Å
517F97.4Very high97.4Very high0 Ų014 Ų140%07%0.067CC..Hα-helixtrans-67.3-29.4-179.2-166.7-74.2000112.3A519 Y520 E521 N550 T749 F751 R754F517-A519 VanDerWaalsContact C-N 3.26Å; F517-A519 PolarHBondContact O-N 3.05Å; F517-Y520 HydrophobicContact CE2-CD1 4.37Å; F517-Y520 HydrophobicContact CZ-CD1 4.34Å; F517-Y520 WeakPolarHBondContact O-CB 3.41Å; F517-Y520 PolarHBondContact O-N 3.47Å; F517-Y520 VanDerWaalsContact O-N 3.15Å; F517-E521 HydrophobicContact CD1-CG 3.89Å; F517-E521 HydrophobicContact CE1-CG 3.82Å; F517-E521 PolarHBondContact O-N 2.7Å; F517-N550 WeakPolarHBondContact CD2-O 3.43Å; F517-T749 HydrophobicContact CE2-CG2 3.57Å; F517-T749 HydrophobicContact CZ-CG2 3.43Å; F517-T749 VanDerWaalsContact CZ-CG2 3.43Å; F517-F751 AromaticContact CE1-CD1 3.99Å; F517-F751 HydrophobicContact CE1-CD1 3.99Å; F517-F751 HydrophobicContact CE1-CE1 4.4Å; F517-F751 AromaticContact CZ-CD1 3.95Å; F517-F751 HydrophobicContact CZ-CD1 3.95Å; F517-F751 HydrophobicContact CZ-CE1 4.27Å; F517-R754 HydrophobicContact CB-CB 4.48Å; F517-R754 VanDerWaalsContact CB-NH2 3.34Å; F517-R754 HydrophobicContact CD1-CB 3.79Å; F517-R754 HydrophobicContact CD1-CG 3.92Å; F517-R754 VanDerWaalsContact CD1-NE 3.35Å; F517-R754 HydrophobicContact CD2-CB 3.91Å; F517-R754 HydrophobicContact CE1-CB 3.86Å; F517-R754 HydrophobicContact CE1-CG 3.86Å; F517-R754 VanDerWaalsContact CE2-C 3.46Å; F517-R754 HydrophobicContact CE2-CB 4Å; F517-R754 HydrophobicContact CG-CB 3.8Å; F517-R754 HydrophobicContact CG-CG 4.44Å; F517-R754 HydrophobicContact CZ-CB 3.97Å; F517-R754 HydrophobicContact CZ-CG 4.33Å
518E97.2Very high97.3Very high16 Ų1611.4 Ų11.48%0.0756%0.056CC..Hα-helixtrans-61.4-35.9171.6-71.386.617700111.5V425 R488 G516 Y520 E521 C522 R754V425-E518 HydrophobicContact CG1-CB 3.86Å; R488-E518 HydrophobicContact CB-CG 4.09Å; R488-E518 HydrophobicContact CG-CG 4.26Å; R488-E518 IonicContact CZ-OE1 3.7Å; R488-E518 IonicContact NE-OE1 2.82Å; R488-E518 IonicContact NH1-OE1 3.84Å; R488-E518 PolarHBondContact NH1-OE1 3.06Å; G516-E518 VanDerWaalsContact C-N 3.29Å; G516-E518 PolarHBondContact O-N 3.07Å; E518-Y520 VanDerWaalsContact C-N 3.33Å; E518-E521 PolarHBondContact O-N 2.89Å; E518-C522 WeakPolarHBondContact O-CB 3.48Å; E518-C522 PolarHBondContact O-N 3.34Å; E518-C522 PolarHBondContact O-SG 2.97Å; E518-R754 IonicContact OE1-CZ 3.75Å; E518-R754 IonicContact OE1-NH1 3.59Å; E518-R754 PolarHBondContact OE1-NH1 2.83Å; E518-R754 IonicContact OE1-NH2 3.83Å; E518-R754 PolarHBondContact OE1-NH2 3.49Å; E518-R754 VanDerWaalsContact OE1-NH2 3.08Å; E518-R754 IonicContact OE2-CZ 3.59Å; E518-R754 IonicContact OE2-NH1 3.67Å; E518-R754 IonicContact OE2-NH2 3.92Å; E518-R754 PolarHBondContact OE2-NH2 2.94Å
519A97.8Very high97.3Very high0 Ų011 Ų110%06%0.056CC..Hα-helixtrans-66.1-37.8175.800000111.7V425 I513 G516 F517 C522 M523 M542V425-A519 HydrophobicContact CB-CB 3.9Å; V425-A519 HydrophobicContact CG1-CB 4.34Å; I513-A519 HydrophobicContact CG2-CB 3.73Å; G516-A519 VanDerWaalsContact O-CB 3.29Å; G516-A519 WeakPolarHBondContact O-CB 3.18Å; G516-A519 PolarHBondContact O-N 3.1Å; G516-A519 VanDerWaalsContact O-N 3.08Å; F517-A519 VanDerWaalsContact C-N 3.26Å; F517-A519 PolarHBondContact O-N 3.05Å; A519-C522 PolarHBondContact O-N 2.76Å; A519-M523 WeakPolarHBondContact O-CG 3.38Å; A519-M523 PolarHBondContact O-N 3.11Å; A519-M542 HydrophobicContact CB-CE 3.74Å; A519-M542 HydrophobicContact CB-SD 4.32Å
520Y97.7Very high97.2Very high0 Ų011.4 Ų11.40%06%0.056CC..Hα-helixtrans-63.4-45.4174.3175.9-119.9000111.4G516 F517 E518 C522 M523 I524 M542 P552 I742 L745 R746 T749 F751G516-Y520 PolarHBondContact O-N 3.33Å; F517-Y520 HydrophobicContact CE2-CD1 4.37Å; F517-Y520 HydrophobicContact CZ-CD1 4.34Å; F517-Y520 WeakPolarHBondContact O-CB 3.41Å; F517-Y520 PolarHBondContact O-N 3.47Å; F517-Y520 VanDerWaalsContact O-N 3.15Å; E518-Y520 VanDerWaalsContact C-N 3.33Å; Y520-C522 PolarHBondContact O-N 2.97Å; Y520-M523 WeakPolarHBondContact O-CB 3.37Å; Y520-M523 PolarHBondContact O-N 3.08Å; Y520-I524 HydrophobicContact CD1-CD1 4.26Å; Y520-I524 HydrophobicContact CE1-CD1 3.75Å; Y520-I524 HydrophobicContact CE2-CD1 4.19Å; Y520-I524 HydrophobicContact CE2-CG1 4.38Å; Y520-I524 PolarHBondContact O-N 2.78Å; Y520-I524 VanDerWaalsContact O-N 3.16Å; Y520-M542 VanDerWaalsContact CA-SD 3.53Å; Y520-M542 HydrophobicContact CD2-SD 4.43Å; Y520-P552 HydrophobicContact CD1-CG 4.07Å; Y520-P552 HydrophobicContact CE1-CG 3.84Å; Y520-P552 HydrophobicContact CE2-CG 4.43Å; Y520-P552 HydrophobicContact CG-CG 4.47Å; Y520-I742 HydrophobicContact CD2-CD1 3.92Å; Y520-I742 HydrophobicContact CD2-CG2 4.32Å; Y520-I742 HydrophobicContact CE2-CD1 4.07Å; Y520-I742 HydrophobicContact CE2-CG2 3.88Å; Y520-I742 WeakPolarHBondContact CE2-O 3.42Å; Y520-I742 PolarHBondContact OH-O 2.92Å; Y520-L745 HydrophobicContact CE2-CB 4.09Å; Y520-L745 HydrophobicContact CE2-CD1 4.3Å; Y520-L745 VanDerWaalsContact OH-C 3.25Å; Y520-L745 WeakPolarHBondContact OH-CB 3.35Å; Y520-R746 PolarHBondContact OH-N 3.48Å; Y520-R746 VanDerWaalsContact OH-N 3.11Å; Y520-T749 HydrophobicContact CE1-CG2 4.07Å; Y520-F751 HydrophobicContact CD1-CE1 4.4Å; Y520-F751 AromaticContact CE1-CE1 3.88Å; Y520-F751 HydrophobicContact CE1-CE1 3.88Å; Y520-F751 AromaticContact CE1-CZ 3.83Å; Y520-F751 HydrophobicContact CE1-CZ 3.83Å
521E97.1Very high96.9Very high50 Ų5020.1 Ų20.123%0.23410%0.097CC..Hα-helixtrans-60.1-45.2173.9-69.5172134.700111.3F517 E518 M523 I524 E525 R754F517-E521 HydrophobicContact CD1-CG 3.89Å; F517-E521 HydrophobicContact CE1-CG 3.82Å; F517-E521 PolarHBondContact O-N 2.7Å; E518-E521 PolarHBondContact O-N 2.89Å; E521-M523 VanDerWaalsContact C-N 3.3Å; E521-M523 PolarHBondContact O-N 3.5Å; E521-I524 WeakPolarHBondContact O-CB 3.49Å; E521-I524 PolarHBondContact O-N 2.84Å; E521-I524 VanDerWaalsContact O-N 3.08Å; E521-E525 WeakPolarHBondContact O-CG 3.39Å; E521-E525 PolarHBondContact O-N 3.13Å; E521-R754 IonicContact OE2-NH2 2.81Å
522C97.5Very high96.7Very high0 Ų027.7 Ų27.70%013%0.13CC..Hα-helixtrans-58.2-40.6176.1-67.30000112.5F457 P491 E518 A519 Y520 I524 E525 L526F457-C522 HydrophobicContact CD2-CB 4.43Å; F457-C522 HydrophobicContact CE2-CB 3.69Å; F457-C522 HydrophobicContact CZ-CB 4.47Å; P491-C522 WeakPolarHBondContact CD-SG 2.95Å; P491-C522 HydrophobicContact CG-CB 4.21Å; E518-C522 WeakPolarHBondContact O-CB 3.48Å; E518-C522 PolarHBondContact O-N 3.34Å; E518-C522 PolarHBondContact O-SG 2.97Å; A519-C522 PolarHBondContact O-N 2.76Å; Y520-C522 PolarHBondContact O-N 2.97Å; C522-I524 VanDerWaalsContact C-N 3.33Å; C522-I524 PolarHBondContact O-N 3.08Å; C522-E525 PolarHBondContact O-N 2.69Å; C522-L526 WeakPolarHBondContact O-CB 3.39Å; C522-L526 VanDerWaalsContact O-CG 3.24Å; C522-L526 WeakPolarHBondContact O-CG 3.46Å; C522-L526 PolarHBondContact O-N 3.48Å
523M96.9Very high96.6Very high0 Ų030.5 Ų30.50%014%0.141CC..Hα-helixtrans-61.9-40.9175.9-73.2-74.8-70.300111.7I513 A519 Y520 E521 L526 V527 M540 M542 C727 I742I513-M523 HydrophobicContact CB-SD 4.24Å; I513-M523 HydrophobicContact CD1-CG 3.9Å; I513-M523 HydrophobicContact CD1-SD 3.44Å; I513-M523 WeakPolarHBondContact CD1-SD 3.11Å; I513-M523 HydrophobicContact CG1-SD 3.78Å; A519-M523 WeakPolarHBondContact O-CG 3.38Å; A519-M523 PolarHBondContact O-N 3.11Å; Y520-M523 WeakPolarHBondContact O-CB 3.37Å; Y520-M523 PolarHBondContact O-N 3.08Å; E521-M523 VanDerWaalsContact C-N 3.3Å; E521-M523 PolarHBondContact O-N 3.5Å; M523-L526 PolarHBondContact O-N 3.18Å; M523-V527 VanDerWaalsContact O-CG2 3.27Å; M523-V527 WeakPolarHBondContact O-CG2 3.07Å; M523-V527 PolarHBondContact O-N 3.37Å; M523-M540 HydrophobicContact CE-CB 3.61Å; M523-M540 HydrophobicContact SD-CB 3.94Å; M523-M540 HydrophobicContact SD-SD 4.49Å; M523-M542 HydrophobicContact CE-CB 4.19Å; M523-M542 HydrophobicContact CG-CB 4.04Å; M523-M542 HydrophobicContact CG-CG 4.45Å; M523-M542 HydrophobicContact CG-SD 4.13Å; M523-M542 HydrophobicContact SD-CB 4.32Å; M523-C727 HydrophobicContact CE-CB 4.15Å; M523-I742 HydrophobicContact CB-CD1 4.02Å; M523-I742 HydrophobicContact CB-CG1 4.17Å; M523-I742 HydrophobicContact CB-CG2 3.86Å; M523-I742 HydrophobicContact CE-CD1 4.09Å; M523-I742 HydrophobicContact CE-CG1 3.75Å; M523-I742 HydrophobicContact CG-CD1 4.23Å
524I96.8Very high96.4Very high10 Ų1034.1 Ų34.15%0.05117%0.165CC..Hα-helixtrans-62.1-49.5175.7-65167.6000110Y520 E521 C522 L526 V527 E528 I742 M743 R746 F751Y520-I524 HydrophobicContact CD1-CD1 4.26Å; Y520-I524 HydrophobicContact CE1-CD1 3.75Å; Y520-I524 HydrophobicContact CE2-CD1 4.19Å; Y520-I524 HydrophobicContact CE2-CG1 4.38Å; Y520-I524 PolarHBondContact O-N 2.78Å; Y520-I524 VanDerWaalsContact O-N 3.16Å; E521-I524 WeakPolarHBondContact O-CB 3.49Å; E521-I524 PolarHBondContact O-N 2.84Å; E521-I524 VanDerWaalsContact O-N 3.08Å; C522-I524 VanDerWaalsContact C-N 3.33Å; C522-I524 PolarHBondContact O-N 3.08Å; I524-L526 VanDerWaalsContact C-N 3.3Å; I524-L526 PolarHBondContact O-N 2.92Å; I524-V527 PolarHBondContact O-N 3.32Å; I524-V527 VanDerWaalsContact O-N 3.13Å; I524-E528 HydrophobicContact CG2-CG 4.33Å; I524-E528 WeakPolarHBondContact O-CG 3.5Å; I524-E528 PolarHBondContact O-N 2.93Å; I524-I742 HydrophobicContact CG1-CG2 3.68Å; I524-M743 HydrophobicContact CG2-SD 4.19Å; I524-R746 HydrophobicContact CD1-CG 3.98Å; I524-F751 HydrophobicContact CD1-CE1 3.71Å; I524-F751 HydrophobicContact CD1-CZ 3.71Å
525E96.8Very high96.2Very high28 Ų2836.6 Ų36.613%0.13118%0.176CC..Hα-helixtrans-59.4-41.3-179.7-64.9-175.3173.400112T490 P491 N492 I496 E521 C522 E528 G529T490-E525 WeakPolarHBondContact CB-OE1 3.48Å; T490-E525 VanDerWaalsContact CB-OE2 3.25Å; T490-E525 WeakPolarHBondContact CB-OE2 3.25Å; T490-E525 PolarHBondContact OG1-OE1 3.22Å; T490-E525 PolarHBondContact OG1-OE2 3.42Å; P491-E525 HydrophobicContact CB-CB 4.48Å; P491-E525 WeakPolarHBondContact CD-OE2 3.43Å; P491-E525 VanDerWaalsContact N-OE2 3.15Å; N492-E525 HydrophobicContact CB-CG 4.44Å; N492-E525 WeakPolarHBondContact CB-OE2 3.47Å; N492-E525 PolarHBondContact N-OE2 2.98Å; N492-E525 VanDerWaalsContact ND2-CD 3.33Å; N492-E525 VanDerWaalsContact ND2-CG 3.27Å; N492-E525 WeakPolarHBondContact ND2-CG 3.43Å; I496-E525 WeakPolarHBondContact CD1-O 3.35Å; E521-E525 WeakPolarHBondContact O-CG 3.39Å; E521-E525 PolarHBondContact O-N 3.13Å; C522-E525 PolarHBondContact O-N 2.69Å; E525-E528 PolarHBondContact O-N 3.29Å; E525-G529 PolarHBondContact O-N 3.49Å
526L97.1Very high96.1Very high0 Ų036.6 Ų36.60%018%0.176CC..Hα-helixtrans-65.5-38.8176.5-69.7171.6000112.3F457 P491 V499 F503 L511 I513 C522 M523 I524 G529 R530 L536 M540F457-L526 HydrophobicContact CE1-CD1 4.37Å; F457-L526 HydrophobicContact CZ-CD1 3.89Å; P491-L526 HydrophobicContact CB-CD2 4.27Å; P491-L526 HydrophobicContact CG-CD2 4.01Å; P491-L526 HydrophobicContact CG-CG 4.06Å; V499-L526 HydrophobicContact CG1-CD2 4.15Å; F503-L526 HydrophobicContact CZ-CD2 4.36Å; L511-L526 HydrophobicContact CD2-CD1 3.92Å; I513-L526 HydrophobicContact CD1-CD1 3.76Å; C522-L526 WeakPolarHBondContact O-CB 3.39Å; C522-L526 VanDerWaalsContact O-CG 3.24Å; C522-L526 WeakPolarHBondContact O-CG 3.46Å; C522-L526 PolarHBondContact O-N 3.48Å; M523-L526 PolarHBondContact O-N 3.18Å; I524-L526 VanDerWaalsContact C-N 3.3Å; I524-L526 PolarHBondContact O-N 2.92Å; L526-G529 PolarHBondContact O-N 3.01Å; L526-R530 PolarHBondContact O-N 3.42Å; L526-L536 HydrophobicContact CD2-CD1 4.32Å; L526-L536 HydrophobicContact CD2-CD2 4Å; L526-M540 HydrophobicContact CB-CE 4.16Å; L526-M540 HydrophobicContact CB-SD 3.96Å; L526-M540 HydrophobicContact CD1-SD 3.85Å
527V96.1Very high96Very high14 Ų1436.6 Ų36.69%0.08518%0.175CC..Hα-helixtrans-65.2-45.9175.7170.90000110.9M523 I524 G529 R530 H724 C727 M743M523-V527 VanDerWaalsContact O-CG2 3.27Å; M523-V527 WeakPolarHBondContact O-CG2 3.07Å; M523-V527 PolarHBondContact O-N 3.37Å; I524-V527 PolarHBondContact O-N 3.32Å; I524-V527 VanDerWaalsContact O-N 3.13Å; V527-G529 PolarHBondContact O-N 2.81Å; V527-R530 VanDerWaalsContact O-CB 3.31Å; V527-R530 WeakPolarHBondContact O-CB 3.46Å; V527-R530 WeakPolarHBondContact O-CG 3.41Å; V527-R530 PolarHBondContact O-N 3.43Å; V527-H724 HydrophobicContact CG1-CB 3.78Å; V527-C727 HydrophobicContact CG2-CB 3.66Å; V527-C727 WeakPolarHBondContact CG2-SG 3.44Å; V527-M743 HydrophobicContact CB-SD 4.19Å; V527-M743 HydrophobicContact CG1-CE 4.4Å; V527-M743 HydrophobicContact CG1-CG 3.81Å; V527-M743 HydrophobicContact CG1-SD 3.82Å
528E94.8Very high96Very high96 Ų9636.8 Ų36.845%0.44918%0.177SC..Hα-helixtrans-64-32.1177.4-69.4178167.900111.7I524 E525 R530 M743 R746I524-E528 HydrophobicContact CG2-CG 4.33Å; I524-E528 WeakPolarHBondContact O-CG 3.5Å; I524-E528 PolarHBondContact O-N 2.93Å; E525-E528 PolarHBondContact O-N 3.29Å; E528-R530 VanDerWaalsContact C-N 3.26Å; E528-R530 PolarHBondContact O-N 3.44Å; E528-M743 HydrophobicContact CG-CE 4.35Å; E528-R746 IonicContact OE1-CZ 3.74Å; E528-R746 IonicContact OE1-NH1 3.07Å; E528-R746 PolarHBondContact OE1-NH1 3.29Å; E528-R746 IonicContact OE1-NH2 2.93Å
529G95.3Very high96Very high6 Ų636 Ų366%0.06217%0.173CC..Hα-helixtrans-66.9-19.2175.300000115.3E525 L526 V527 E531 K532 Y533E525-G529 PolarHBondContact O-N 3.49Å; L526-G529 PolarHBondContact O-N 3.01Å; V527-G529 PolarHBondContact O-N 2.81Å; G529-E531 PolarHBondContact O-N 3.04Å; G529-K532 PolarHBondContact O-N 3.11Å; G529-Y533 WeakPolarHBondContact O-CD2 3.06Å; G529-Y533 PolarHBondContact O-N 3.23Å
530R95.2Very high96Very high16 Ų1636 Ų366%0.0617%0.173CC..THydrogen-bonded Turntrans-60.9-28-175.1-73.3-179.3168-175.2-1.8114.5L526 V527 E528 K532 L536 I538 T721 G723 C727L526-R530 PolarHBondContact O-N 3.42Å; V527-R530 VanDerWaalsContact O-CB 3.31Å; V527-R530 WeakPolarHBondContact O-CB 3.46Å; V527-R530 WeakPolarHBondContact O-CG 3.41Å; V527-R530 PolarHBondContact O-N 3.43Å; E528-R530 VanDerWaalsContact C-N 3.26Å; E528-R530 PolarHBondContact O-N 3.44Å; R530-K532 PolarHBondContact O-N 2.95Å; R530-L536 HydrophobicContact CG-CB 3.97Å; R530-L536 PolarHBondContact NE-O 2.94Å; R530-I538 PolarHBondContact NH2-O 3.32Å; R530-T721 PolarHBondContact NH1-O 2.97Å; R530-G723 PolarHBondContact NH1-O 3.42Å; R530-C727 VanDerWaalsContact CZ-SG 3.51Å; R530-C727 PolarHBondContact NH2-SG 2.98Å
531E91.3Very high96Very high183 Ų18336 Ų3686%0.85517%0.173SC*.THydrogen-bonded Turntrans-63.6-33.5177.3-169.5-178179.500111.7G529G529-E531 PolarHBondContact O-N 3.04Å
532K94.7Very high96.1Very high160 Ų16033.7 Ų33.770%0.69616%0.162SC*.THydrogen-bonded Turntrans-99.8-30.2-175.8-66.1177.6-177.21720113.3G529 R530G529-K532 PolarHBondContact O-N 3.11Å; R530-K532 PolarHBondContact O-N 2.95Å
533Y96.2Very high96.1Very high58 Ų5833.7 Ų33.723%0.22716%0.162CC..  trans-124.295.3-171.6-56.2-72.9000110.7I496 D497 A500 G529 E535 L536I496-Y533 HydrophobicContact CG1-CD2 4.46Å; I496-Y533 HydrophobicContact CG1-CE2 4.45Å; I496-Y533 HydrophobicContact CG2-CD2 4.47Å; I496-Y533 HydrophobicContact CG2-CE2 3.66Å; D497-Y533 HydrophobicContact CB-CE1 4.03Å; D497-Y533 WeakPolarHBondContact CB-OH 3.38Å; A500-Y533 HydrophobicContact CB-CD1 3.73Å; A500-Y533 HydrophobicContact CB-CD2 4.38Å; A500-Y533 HydrophobicContact CB-CE1 4.49Å; A500-Y533 HydrophobicContact CB-CG 3.67Å; G529-Y533 WeakPolarHBondContact O-CD2 3.06Å; G529-Y533 PolarHBondContact O-N 3.23Å; Y533-E535 PolarHBondContact O-N 3.14Å; Y533-E535 VanDerWaalsContact O-N 3.14Å; Y533-L536 HydrophobicContact CD2-CD1 4.27Å; Y533-L536 HydrophobicContact CG-CD1 4.5Å; Y533-L536 WeakPolarHBondContact O-CB 3.42Å; Y533-L536 PolarHBondContact O-N 3.38Å
534P93.8Very high96.2Very high77 Ų7733.7 Ų33.750%0.516%0.162SC..G310 helixtrans-57.4-27.3-179.3-2735.4000114.6L536 C537 Y720P534-L536 PolarHBondContact O-N 3.4Å; P534-C537 WeakPolarHBondContact O-CB 3.49Å; P534-C537 PolarHBondContact O-N 3.32Å; P534-Y720 HydrophobicContact CB-CE2 4.49Å
535E94.2Very high96.3Very high52 Ų5233.2 Ų33.224%0.24316%0.159CC..G310 helixtrans-63.3-18.6173.452.6-96.2-14600114.3A500 F503 K504 Y533 C537A500-E535 HydrophobicContact CB-CG 3.7Å; A500-E535 WeakPolarHBondContact CB-OE1 3.38Å; A500-E535 WeakPolarHBondContact O-CG 3.2Å; F503-E535 HydrophobicContact CB-CB 4.47Å; K504-E535 HydrophobicContact CB-CB 4.17Å; Y533-E535 PolarHBondContact O-N 3.14Å; Y533-E535 VanDerWaalsContact O-N 3.14Å; E535-C537 VanDerWaalsContact C-N 3.33Å
536L96.5Very high96.3Very high0 Ų032.5 Ų32.50%016%0.157CC..G310 helixtrans-85.4-8172.3-57.4-176.3000112.2I496 A500 F503 L526 R530 Y533 P534 I538 M540I496-L536 HydrophobicContact CD1-CD1 4.12Å; I496-L536 HydrophobicContact CG1-CD1 4.12Å; A500-L536 HydrophobicContact CB-CD1 4.5Å; A500-L536 HydrophobicContact CB-CD2 4.22Å; A500-L536 HydrophobicContact CB-CG 4.24Å; F503-L536 HydrophobicContact CD1-CD2 3.73Å; F503-L536 HydrophobicContact CE1-CD2 3.95Å; F503-L536 HydrophobicContact CG-CD2 4.06Å; F503-L536 HydrophobicContact CZ-CD2 4.45Å; L526-L536 HydrophobicContact CD2-CD1 4.32Å; L526-L536 HydrophobicContact CD2-CD2 4Å; R530-L536 HydrophobicContact CG-CB 3.97Å; R530-L536 PolarHBondContact NE-O 2.94Å; Y533-L536 HydrophobicContact CD2-CD1 4.27Å; Y533-L536 HydrophobicContact CG-CD1 4.5Å; Y533-L536 WeakPolarHBondContact O-CB 3.42Å; Y533-L536 PolarHBondContact O-N 3.38Å; P534-L536 PolarHBondContact O-N 3.4Å; L536-I538 PolarHBondContact O-N 3.49Å; L536-M540 HydrophobicContact CB-CE 4.42Å; L536-M540 WeakPolarHBondContact O-CE 3.45Å
537C96.5Very high96.4Very high2 Ų233 Ų331%0.01416%0.159CC..  trans-78.453178-60.90000111.5P534 E535 Y720 T721P534-C537 WeakPolarHBondContact O-CB 3.49Å; P534-C537 PolarHBondContact O-N 3.32Å; E535-C537 VanDerWaalsContact C-N 3.33Å; C537-Y720 HydrophobicContact CB-CD2 3.59Å; C537-Y720 HydrophobicContact CB-CE2 3.46Å; C537-Y720 VanDerWaalsContact CB-CE2 3.46Å; C537-Y720 HydrophobicContact CB-CG 4.38Å; C537-Y720 CarbonylContact O-C 3.44Å; C537-Y720 VanDerWaalsContact O-CA 3.32Å; C537-Y720 WeakPolarHBondContact O-CA 3.34Å; C537-T721 CarbonylContact C-O 3.44Å; C537-T721 WeakPolarHBondContact CA-O 3.46Å; C537-T721 PolarHBondContact O-N 3.2Å; C537-T721 PolarHBondContact O-OG1 3.39Å
538I96.5Very high96.5Very high5 Ų533.1 Ų33.13%0.02616%0.161CC..SBendtrans-119.6152.3175.460.7176.3000110.2F503 L508 L511 R530 L536 M540 T721F503-I538 HydrophobicContact CD1-CD1 3.84Å; F503-I538 HydrophobicContact CE1-CD1 4Å; L508-I538 HydrophobicContact CB-CD1 3.88Å; L511-I538 HydrophobicContact CB-CD1 4.49Å; R530-I538 PolarHBondContact NH2-O 3.32Å; L536-I538 PolarHBondContact O-N 3.49Å; I538-M540 HydrophobicContact CG1-CE 4.06Å; I538-M540 WeakPolarHBondContact O-CG 3.49Å; I538-M540 PolarHBondContact O-N 3.04Å; I538-T721 WeakPolarHBondContact CA-OG1 3.5Å
539P97.6Very high96.6Very high0 Ų028.8 Ų28.80%014%0.141CC..  trans-56.4133.3175.1-26.234.9000112S509 G510 L511 W704 L705 Q708 I709 V719 T721 C726S509-P539 WeakPolarHBondContact O-CD 3.45Å; G510-P539 CarbonylContact C-O 3.5Å; G510-P539 VanDerWaalsContact CA-O 3.26Å; G510-P539 WeakPolarHBondContact CA-O 3.25Å; L511-P539 PolarHBondContact N-O 2.99Å; P539-W704 HydrophobicContact CB-CZ3 4.26Å; P539-L705 HydrophobicContact CB-CD2 3.74Å; P539-L705 WeakPolarHBondContact O-CD2 3.42Å; P539-Q708 HydrophobicContact CB-CB 3.75Å; P539-Q708 HydrophobicContact CG-CB 3.75Å; P539-I709 HydrophobicContact CG-CG1 4.14Å; P539-V719 HydrophobicContact CG-CG1 4.04Å; P539-T721 WeakPolarHBondContact CD-OG1 2.94Å; P539-T721 HydrophobicContact CG-CG2 3.89Å; P539-C726 WeakPolarHBondContact CA-O 3.4Å
540M98.2Very high96.7Very high0 Ų029.2 Ų29.20%014%0.142CC..EExtended strand (participates in β ladder)trans-129.3132.6177.7-49-173.8-16400110.9F503 L511 M523 L526 L536 I538 W704 C726 C727 T728F503-M540 HydrophobicContact CE1-CE 4.49Å; L511-M540 HydrophobicContact CB-CB 4.44Å; L511-M540 HydrophobicContact CB-CG 4.09Å; L511-M540 HydrophobicContact CD2-CG 4.49Å; L511-M540 HydrophobicContact CD2-SD 4.07Å; L511-M540 CarbonylContact O-C 3.58Å; L511-M540 VanDerWaalsContact O-CA 3.31Å; L511-M540 WeakPolarHBondContact O-CA 3.45Å; M523-M540 HydrophobicContact CE-CB 3.61Å; M523-M540 HydrophobicContact SD-CB 3.94Å; M523-M540 HydrophobicContact SD-SD 4.49Å; L526-M540 HydrophobicContact CB-CE 4.16Å; L526-M540 HydrophobicContact CB-SD 3.96Å; L526-M540 HydrophobicContact CD1-SD 3.85Å; L536-M540 HydrophobicContact CB-CE 4.42Å; L536-M540 WeakPolarHBondContact O-CE 3.45Å; I538-M540 HydrophobicContact CG1-CE 4.06Å; I538-M540 WeakPolarHBondContact O-CG 3.49Å; I538-M540 PolarHBondContact O-N 3.04Å; M540-W704 WeakPolarHBondContact O-CH2 3.08Å; M540-W704 WeakPolarHBondContact O-CZ3 3.49Å; M540-C726 PolarHBondContact N-O 2.75Å; M540-C727 VanDerWaalsContact O-CA 3.31Å; M540-C727 WeakPolarHBondContact O-CA 3.3Å; M540-T728 PolarHBondContact O-N 3.38Å
541A98Very high96.8Very high0 Ų028.5 Ų28.50%014%0.139CC..EExtended strand (participates in β ladder)trans-117.3142.8172.800000109.8L511 L512 I513 W704 L705 T728 I730L511-A541 PolarHBondContact O-N 3.26Å; L512-A541 WeakPolarHBondContact CA-O 3.43Å; L512-A541 HydrophobicContact CD1-CB 4.14Å; I513-A541 PolarHBondContact N-O 2.99Å; A541-W704 HydrophobicContact CB-CE3 4.06Å; A541-W704 HydrophobicContact CB-CZ3 4.16Å; A541-L705 HydrophobicContact CB-CD1 4.23Å; A541-L705 HydrophobicContact CB-CD2 4.36Å; A541-L705 HydrophobicContact CB-CG 4.11Å; A541-T728 CarbonylContact C-O 3.49Å; A541-T728 WeakPolarHBondContact CA-O 3.22Å; A541-T728 HydrophobicContact CB-CG2 4.36Å; A541-I730 HydrophobicContact CB-CD1 3.97Å
542M98Very high97Very high0 Ų019.9 Ų19.90%010%0.099CC..EExtended strand (participates in β ladder)trans-115.4134.8173.4178.9-179.6166.900110.7I513 G515 G516 A519 Y520 M523 V551 T728 L729 I730 I742I513-M542 CarbonylContact O-C 3.6Å; I513-M542 VanDerWaalsContact O-CA 3.23Å; I513-M542 WeakPolarHBondContact O-CA 3.39Å; G515-M542 WeakPolarHBondContact O-CE 3.37Å; G516-M542 WeakPolarHBondContact O-CE 3.38Å; A519-M542 HydrophobicContact CB-CE 3.74Å; A519-M542 HydrophobicContact CB-SD 4.32Å; Y520-M542 VanDerWaalsContact CA-SD 3.53Å; Y520-M542 HydrophobicContact CD2-SD 4.43Å; M523-M542 HydrophobicContact CE-CB 4.19Å; M523-M542 HydrophobicContact CG-CB 4.04Å; M523-M542 HydrophobicContact CG-CG 4.45Å; M523-M542 HydrophobicContact CG-SD 4.13Å; M523-M542 HydrophobicContact SD-CB 4.32Å; M542-V551 HydrophobicContact CE-CG1 3.84Å; M542-T728 PolarHBondContact N-O 2.93Å; M542-L729 HydrophobicContact CE-CD1 4.17Å; M542-L729 HydrophobicContact CG-CD1 4.49Å; M542-L729 HydrophobicContact SD-CD1 3.92Å; M542-I730 PolarHBondContact O-N 3.06Å; M542-I742 HydrophobicContact CB-CD1 4.34Å; M542-I742 HydrophobicContact SD-CD1 4.33Å
543V98.5Very high97Very high0 Ų013.3 Ų13.30%08%0.077CC..EExtended strand (participates in β ladder)trans-110.1119.3167.7175.70000109.2V435 L512 I513 I514 G515 A545 L558 F697 A701V435-V543 HydrophobicContact CG1-CG2 4.26Å; V435-V543 HydrophobicContact CG2-CG1 4.01Å; L512-V543 HydrophobicContact CD1-CG2 3.95Å; I513-V543 PolarHBondContact O-N 2.99Å; I514-V543 WeakPolarHBondContact CA-O 3.37Å; I514-V543 HydrophobicContact CG1-CB 4.41Å; I514-V543 HydrophobicContact CG2-CB 4.36Å; I514-V543 HydrophobicContact CG2-CG1 4.48Å; G515-V543 PolarHBondContact N-O 3.25Å; V543-A545 PolarHBondContact O-N 3.39Å; V543-L558 HydrophobicContact CG1-CD1 3.63Å; V543-L558 HydrophobicContact CG1-CG 4.48Å; V543-F697 HydrophobicContact CG1-CB 3.98Å; V543-F697 HydrophobicContact CG1-CD2 3.62Å; V543-F697 HydrophobicContact CG1-CE2 4.46Å; V543-F697 HydrophobicContact CG1-CG 4.19Å; V543-F697 HydrophobicContact CG2-CB 4.14Å; V543-A701 HydrophobicContact CG2-CB 4.47Å
544P98.3Very high96.9Very high0 Ų011 Ų110%07%0.069CC..EExtended strand (participates in β ladder)trans-71124.9-178.928.3-32.7000110.9G515 V551 T554 L558 L729 I730G515-P544 CarbonylContact O-C 3.45Å; G515-P544 WeakPolarHBondContact O-CA 3.25Å; P544-V551 HydrophobicContact CB-CB 3.98Å; P544-V551 HydrophobicContact CB-CG1 3.97Å; P544-V551 HydrophobicContact CB-CG2 4.29Å; P544-T554 HydrophobicContact CB-CG2 3.97Å; P544-T554 HydrophobicContact CG-CG2 3.63Å; P544-L558 PolarHBondContact O-N 2.81Å; P544-L729 HydrophobicContact CG-CD2 4.35Å; P544-I730 WeakPolarHBondContact CD-O 3.48Å
545A98.4Very high96.9Very high0 Ų08.4 Ų8.40%05%0.051CC..BIsolated β-bridgetrans-141.3106.2-179.800000111A429 I432 I514 G515 G516 V543 L558A429-A545 HydrophobicContact CB-CB 4.38Å; I432-A545 HydrophobicContact CD1-CB 3.99Å; I432-A545 HydrophobicContact CG1-CB 3.63Å; I514-A545 HydrophobicContact CG2-CB 3.82Å; G515-A545 CarbonylContact C-O 3.42Å; G515-A545 PolarHBondContact O-N 2.91Å; G516-A545 WeakPolarHBondContact CA-O 3.34Å; G516-A545 PolarHBondContact N-O 3Å; V543-A545 PolarHBondContact O-N 3.39Å; A545-L558 CarbonylContact C-O 3.21Å; A545-L558 WeakPolarHBondContact CA-O 3.25Å; A545-L558 HydrophobicContact CB-CB 3.92Å; A545-L558 HydrophobicContact CB-CD1 4.45Å
546T98.1Very high97Very high14 Ų147.1 Ų7.19%0.0864%0.044CC..  trans-165145.6178.4174.30000108.8S548 N550 V551 S557 L558T546-S548 PolarHBondContact O-N 3.3Å; T546-S548 PolarHBondContact OG1-N 2.63Å; T546-N550 WeakPolarHBondContact CG2-OD1 3.35Å; T546-V551 HydrophobicContact CG2-CG2 3.82Å; T546-S557 VanDerWaalsContact CG2-OG 3.28Å; T546-S557 WeakPolarHBondContact CG2-OG 3.39Å; T546-S557 PolarHBondContact O-OG 2.8Å; T546-L558 CarbonylContact C-O 3.57Å; T546-L558 PolarHBondContact N-O 3.1Å; T546-L558 VanDerWaalsContact O-O 3.11Å
547I98Very high97.1Very high9 Ų97.1 Ų7.15%0.0464%0.044CC..THydrogen-bonded Turntrans-69.5-25.6173.765.5170.7000112.1N549 A563 M591 L598 Q681 Q682I547-N549 VanDerWaalsContact C-N 3.28Å; I547-N549 PolarHBondContact O-N 2.93Å; I547-A563 HydrophobicContact CB-CB 3.67Å; I547-A563 HydrophobicContact CG2-CB 3.82Å; I547-M591 HydrophobicContact CD1-CB 4.11Å; I547-M591 HydrophobicContact CD1-CE 4.4Å; I547-M591 HydrophobicContact CD1-SD 4.1Å; I547-L598 HydrophobicContact CB-CD1 4.35Å; I547-L598 HydrophobicContact CD1-CD1 4.3Å; I547-L598 HydrophobicContact CG1-CD1 4.23Å; I547-L598 WeakPolarHBondContact O-CD1 3.33Å; I547-L598 WeakPolarHBondContact O-CD2 3.04Å; I547-L598 WeakPolarHBondContact O-CG 3.42Å; I547-Q681 HydrophobicContact CD1-CB 4.18Å; I547-Q682 HydrophobicContact CD1-CG 4.23Å; I547-Q682 HydrophobicContact CG2-CG 4.46Å
548S98Very high97.2Very high18 Ų187 Ų713%0.1264%0.044CC..THydrogen-bonded Turntrans-74.3-17.2-173-51.60000113.9T546 N550 G592 C595T546-S548 PolarHBondContact O-N 3.3Å; T546-S548 PolarHBondContact OG1-N 2.63Å; S548-N550 VanDerWaalsContact C-N 3.27Å; S548-N550 PolarHBondContact O-N 2.92Å; S548-G592 WeakPolarHBondContact OG-CA 3.32Å; S548-C595 PolarHBondContact O-SG 2.88Å
549N97.9Very high97.3Very high4 Ų46.8 Ų6.82%0.0214%0.043CC..  trans53.740.1-171.7-157.137.4000114.1I547 D555 F556 S557 C560 Y597I547-N549 VanDerWaalsContact C-N 3.28Å; I547-N549 PolarHBondContact O-N 2.93Å; N549-D555 PolarHBondContact ND2-O 2.85Å; N549-D555 PolarHBondContact OD1-O 3.25Å; N549-F556 VanDerWaalsContact OD1-CA 3.27Å; N549-F556 WeakPolarHBondContact OD1-CA 3.3Å; N549-S557 VanDerWaalsContact CA-OG 3.3Å; N549-S557 WeakPolarHBondContact CA-OG 3.39Å; N549-S557 PolarHBondContact OD1-N 3.13Å; N549-S557 PolarHBondContact OD1-OG 2.86Å; N549-C560 HydrophobicContact CB-CB 4Å; N549-Y597 HydrophobicContact CB-CD1 3.63Å; N549-Y597 HydrophobicContact CB-CD2 4.26Å; N549-Y597 HydrophobicContact CB-CE1 4.05Å; N549-Y597 HydrophobicContact CB-CG 3.76Å
550N97.4Very high97.3Very high16 Ų166.8 Ų6.89%0.0864%0.043CC..  trans-107.216.8-171.574.7-48.3000114.2F517 T546 S548 C595 R754 L755F517-N550 WeakPolarHBondContact CD2-O 3.43Å; T546-N550 WeakPolarHBondContact CG2-OD1 3.35Å; S548-N550 VanDerWaalsContact C-N 3.27Å; S548-N550 PolarHBondContact O-N 2.92Å; N550-C595 HydrophobicContact CB-CB 3.83Å; N550-R754 PolarHBondContact ND2-O 2.65Å; N550-L755 HydrophobicContact CB-CD2 4.3Å
551V96.9Very high97.3Very high0 Ų07.2 Ų7.20%05%0.045CC..  trans-96.8127.7-179-1760000109.6M542 P544 T546 L729M542-V551 HydrophobicContact CE-CG1 3.84Å; P544-V551 HydrophobicContact CB-CB 3.98Å; P544-V551 HydrophobicContact CB-CG1 3.97Å; P544-V551 HydrophobicContact CB-CG2 4.29Å; T546-V551 HydrophobicContact CG2-CG2 3.82Å; V551-L729 HydrophobicContact CG1-CD1 3.59Å
552P95.7Very high97.3Very high2 Ų27.3 Ų7.31%0.0135%0.046CC..THydrogen-bonded Turntrans-66.1153.1-178.129.8-38.8000112.4Y520 L729 L745 T749 P756Y520-P552 HydrophobicContact CD1-CG 4.07Å; Y520-P552 HydrophobicContact CE1-CG 3.84Å; Y520-P552 HydrophobicContact CE2-CG 4.43Å; Y520-P552 HydrophobicContact CG-CG 4.47Å; P552-L729 WeakPolarHBondContact O-CD1 3.47Å; P552-L745 HydrophobicContact CB-CD2 4.47Å; P552-L745 HydrophobicContact CG-CB 4.48Å; P552-T749 HydrophobicContact CG-CG2 4.49Å; P552-T749 WeakPolarHBondContact CG-OG1 3.46Å; P552-P756 HydrophobicContact CB-CB 4.31Å; P552-P756 HydrophobicContact CB-CG 4.36Å
553G93.7Very high97.3Very high22 Ų227.3 Ų7.323%0.2275%0.046CC..THydrogen-bonded Turntrans87.54.7173.300000115.7T738G553-T738 PolarHBondContact O-OG1 2.99Å
554T95.3Very high97.3Very high11 Ų117.5 Ų7.57%0.0675%0.047CC..  trans-140.7146.8173.5-166.10000110.5P544 F556 G731 I732P544-T554 HydrophobicContact CB-CG2 3.97Å; P544-T554 HydrophobicContact CG-CG2 3.63Å; T554-F556 WeakPolarHBondContact CG2-O 3.31Å; T554-F556 PolarHBondContact OG1-N 3.26Å; T554-F556 PolarHBondContact OG1-O 3.49Å; T554-G731 WeakPolarHBondContact OG1-CA 3.42Å; T554-I732 PolarHBondContact OG1-N 2.84Å; T554-I732 PolarHBondContact OG1-O 2.93Å
555D94.3Very high97.3Very high22 Ų228.7 Ų8.712%0.1185%0.053CC..SBendtrans-78.5-24.9170.9-73-7.6000111.7N549 I732 R734 W760N549-D555 PolarHBondContact ND2-O 2.85Å; N549-D555 PolarHBondContact OD1-O 3.25Å; D555-I732 WeakPolarHBondContact CB-O 3Å; D555-I732 PolarHBondContact N-O 3.41Å; D555-R734 PolarHBondContact OD2-N 2.78Å; D555-W760 PolarHBondContact O-NE1 2.83Å
556F96.3Very high97.3Very high24 Ų2411.8 Ų11.811%0.1057%0.068CC..  trans-138.9125.8-177.1-59.5-77.5000111.3N357 N549 T554 F689 L693 I732 W760N357-F556 HydrophobicContact CB-CE2 4.06Å; N357-F556 HydrophobicContact CB-CZ 4.36Å; N357-F556 WeakPolarHBondContact ND2-CZ 3.32Å; N549-F556 VanDerWaalsContact OD1-CA 3.27Å; N549-F556 WeakPolarHBondContact OD1-CA 3.3Å; T554-F556 WeakPolarHBondContact CG2-O 3.31Å; T554-F556 PolarHBondContact OG1-N 3.26Å; T554-F556 PolarHBondContact OG1-O 3.49Å; F556-F689 HydrophobicContact CB-CE1 4.39Å; F556-F689 HydrophobicContact CB-CZ 4.4Å; F556-F689 HydrophobicContact CD2-CZ 4.45Å; F556-F689 HydrophobicContact CG-CE1 4.48Å; F556-F689 HydrophobicContact CG-CZ 4.23Å; F556-L693 HydrophobicContact CB-CD2 4.37Å; F556-I732 HydrophobicContact CB-CG2 4.06Å; F556-I732 HydrophobicContact CD2-CG2 3.92Å; F556-W760 HydrophobicContact CD1-CZ2 4.49Å; F556-W760 HydrophobicContact CE1-CH2 4.26Å; F556-W760 AromaticContact CE1-CZ2 3.61Å; F556-W760 HydrophobicContact CE1-CZ2 3.61Å; F556-W760 HydrophobicContact CZ-CH2 4.15Å; F556-W760 AromaticContact CZ-CZ2 3.66Å; F556-W760 HydrophobicContact CZ-CZ2 3.66Å
557S97.6Very high97.3Very high0 Ų011.1 Ų11.10%06%0.063CC..  trans-97.7151.7164.761.50000111.1T546 N549 G559 C560T546-S557 VanDerWaalsContact CG2-OG 3.28Å; T546-S557 WeakPolarHBondContact CG2-OG 3.39Å; T546-S557 PolarHBondContact O-OG 2.8Å; N549-S557 VanDerWaalsContact CA-OG 3.3Å; N549-S557 WeakPolarHBondContact CA-OG 3.39Å; N549-S557 PolarHBondContact OD1-N 3.13Å; N549-S557 PolarHBondContact OD1-OG 2.86Å; S557-G559 PolarHBondContact O-N 2.86Å; S557-C560 PolarHBondContact O-N 3.25Å; S557-C560 PolarHBondContact O-SG 3.16Å
558L98.3Very high97.3Very high0 Ų010.8 Ų10.80%06%0.062CC..BIsolated β-bridgetrans-60.8135.7176-63.8169.5000111.4A429 C430 V435 V543 P544 A545 T546 L693 G694 F697A429-L558 WeakPolarHBondContact CB-O 3.41Å; C430-L558 CarbonylContact O-C 3.51Å; V435-L558 HydrophobicContact CG2-CD1 3.22Å; V543-L558 HydrophobicContact CG1-CD1 3.63Å; V543-L558 HydrophobicContact CG1-CG 4.48Å; P544-L558 PolarHBondContact O-N 2.81Å; A545-L558 CarbonylContact C-O 3.21Å; A545-L558 WeakPolarHBondContact CA-O 3.25Å; A545-L558 HydrophobicContact CB-CB 3.92Å; A545-L558 HydrophobicContact CB-CD1 4.45Å; T546-L558 CarbonylContact C-O 3.57Å; T546-L558 PolarHBondContact N-O 3.1Å; T546-L558 VanDerWaalsContact O-O 3.11Å; L558-L693 HydrophobicContact CD2-CB 3.84Å; L558-L693 HydrophobicContact CD2-CD2 3.89Å; L558-L693 HydrophobicContact CD2-CG 3.79Å; L558-G694 VanDerWaalsContact CD2-N 3.34Å; L558-F697 HydrophobicContact CD1-CD2 4.38Å; L558-F697 HydrophobicContact CD2-CD2 4.38Å; L558-F697 HydrophobicContact CG-CD2 4.3Å
559G98Very high97.2Very high0 Ų012.1 Ų12.10%07%0.071CC..THydrogen-bonded Turntrans96.6-15.1177.500000113.9C430 S557 A563 D690C430-G559 VanDerWaalsContact O-CA 3.28Å; C430-G559 WeakPolarHBondContact O-CA 3.25Å; C430-G559 PolarHBondContact O-N 2.85Å; S557-G559 PolarHBondContact O-N 2.86Å; G559-A563 WeakPolarHBondContact O-CB 3.24Å; G559-A563 PolarHBondContact O-N 3.23Å; G559-D690 WeakPolarHBondContact CA-OD2 3.48Å; G559-D690 PolarHBondContact N-OD1 2.9Å; G559-D690 PolarHBondContact N-OD2 2.95Å
560C97.9Very high97.2Very high0 Ų013 Ų130%08%0.077CC..Hα-helixtrans-68.7-35-178.575.80000112.1N549 S557 L564 Y597N549-C560 HydrophobicContact CB-CB 4Å; S557-C560 PolarHBondContact O-N 3.25Å; S557-C560 PolarHBondContact O-SG 3.16Å; C560-L564 VanDerWaalsContact O-CB 3.24Å; C560-L564 WeakPolarHBondContact O-CB 3.49Å; C560-L564 PolarHBondContact O-N 3.46Å; C560-Y597 HydrophobicContact CB-CD1 4.46Å; C560-Y597 HydrophobicContact CB-CE1 3.83Å
561D98.4Very high97.1Very high9 Ų912.3 Ų12.35%0.0487%0.073CC..Hα-helixtrans-72.9-41.2176.9178.372.5000112A563 L564 N565 S687 F689D561-A563 VanDerWaalsContact C-N 3.33Å; D561-A563 PolarHBondContact O-N 2.91Å; D561-L564 PolarHBondContact O-N 2.87Å; D561-N565 PolarHBondContact O-N 3.46Å; D561-N565 PolarHBondContact O-ND2 2.91Å; D561-N565 PolarHBondContact OD1-ND2 3.41Å; D561-N565 PolarHBondContact OD2-ND2 3.43Å; D561-S687 WeakPolarHBondContact OD2-CB 3.03Å; D561-S687 PolarHBondContact OD2-OG 2.9Å; D561-F689 HydrophobicContact CB-CB 4.27Å; D561-F689 HydrophobicContact CB-CD1 3.59Å; D561-F689 HydrophobicContact CB-CE1 4.34Å; D561-F689 HydrophobicContact CB-CG 4.26Å
562T98.7Very high97Very high3 Ų313.5 Ų13.52%0.0188%0.079CC..Hα-helixtrans-58-48.4172.3-58.50000110.5C430 L564 N565 E566 S687 D690C430-T562 HydrophobicContact CB-CG2 3.86Å; C430-T562 WeakPolarHBondContact CB-OG1 3.32Å; T562-L564 VanDerWaalsContact C-N 3.34Å; T562-L564 PolarHBondContact O-N 3.12Å; T562-N565 PolarHBondContact O-N 2.74Å; T562-E566 PolarHBondContact O-N 3.49Å; T562-S687 PolarHBondContact OG1-N 2.72Å; T562-D690 VanDerWaalsContact CB-OD2 3.26Å; T562-D690 WeakPolarHBondContact CB-OD2 3.41Å; T562-D690 PolarHBondContact N-OD2 3.39Å; T562-D690 PolarHBondContact OG1-OD2 3.48Å
563A98.5Very high96.9Very high0 Ų020 Ų200%011%0.107CC..Hα-helixtrans-60-43.7178.100000112.6I547 G559 D561 N565 E566 I567 L598 Q681I547-A563 HydrophobicContact CB-CB 3.67Å; I547-A563 HydrophobicContact CG2-CB 3.82Å; G559-A563 WeakPolarHBondContact O-CB 3.24Å; G559-A563 PolarHBondContact O-N 3.23Å; D561-A563 VanDerWaalsContact C-N 3.33Å; D561-A563 PolarHBondContact O-N 2.91Å; A563-N565 VanDerWaalsContact C-N 3.32Å; A563-N565 PolarHBondContact O-N 2.91Å; A563-E566 PolarHBondContact O-N 3.29Å; A563-I567 WeakPolarHBondContact O-CD1 3.43Å; A563-I567 VanDerWaalsContact O-CG1 3.23Å; A563-I567 WeakPolarHBondContact O-CG1 3.49Å; A563-I567 PolarHBondContact O-N 3.42Å; A563-L598 HydrophobicContact CB-CD1 4.44Å; A563-L598 HydrophobicContact CB-CD2 3.93Å; A563-Q681 WeakPolarHBondContact CA-O 3.27Å; A563-Q681 WeakPolarHBondContact CB-O 3.4Å
564L98.4Very high96.8Very high4 Ų419.6 Ų19.62%0.02110%0.1CC..Hα-helixtrans-60.7-41.2177.7177.959.3000112A321 I325 C560 D561 T562 T568 M601A321-L564 HydrophobicContact CB-CD1 4.32Å; A321-L564 HydrophobicContact CB-CD2 3.99Å; A321-L564 HydrophobicContact CB-CG 3.59Å; I325-L564 HydrophobicContact CD1-CD2 3.83Å; C560-L564 VanDerWaalsContact O-CB 3.24Å; C560-L564 WeakPolarHBondContact O-CB 3.49Å; C560-L564 PolarHBondContact O-N 3.46Å; D561-L564 PolarHBondContact O-N 2.87Å; T562-L564 VanDerWaalsContact C-N 3.34Å; T562-L564 PolarHBondContact O-N 3.12Å; L564-T568 VanDerWaalsContact O-CB 3.27Å; L564-T568 WeakPolarHBondContact O-CB 3.48Å; L564-T568 PolarHBondContact O-N 3.09Å; L564-T568 PolarHBondContact O-OG1 3.46Å; L564-M601 HydrophobicContact CD1-CB 3.78Å; L564-M601 HydrophobicContact CD2-CB 4.15Å
565N98.4Very high96.6Very high24 Ų2419.4 Ų19.413%0.12810%0.098CC..Hα-helixtrans-67.1-41.6175.4-82.1-73.7000112.4A321 D561 T562 A563 T568 S569A321-N565 PolarHBondContact N-OD1 2.74Å; D561-N565 PolarHBondContact O-N 3.46Å; D561-N565 PolarHBondContact O-ND2 2.91Å; D561-N565 PolarHBondContact OD1-ND2 3.41Å; D561-N565 PolarHBondContact OD2-ND2 3.43Å; T562-N565 PolarHBondContact O-N 2.74Å; A563-N565 VanDerWaalsContact C-N 3.32Å; A563-N565 PolarHBondContact O-N 2.91Å; N565-T568 PolarHBondContact O-N 3.47Å; N565-S569 WeakPolarHBondContact O-CB 3.43Å; N565-S569 PolarHBondContact O-N 2.95Å
566E97.8Very high96.3Very high66 Ų6624.4 Ų24.431%0.30812%0.121SC..Hα-helixtrans-61.6-48.2175.8-72.7-57.815300111.8T562 A563 T568 S569 V570T562-E566 PolarHBondContact O-N 3.49Å; A563-E566 PolarHBondContact O-N 3.29Å; E566-T568 VanDerWaalsContact C-N 3.33Å; E566-T568 PolarHBondContact O-N 3.19Å; E566-S569 PolarHBondContact O-N 3.11Å; E566-V570 WeakPolarHBondContact O-CG2 3.19Å; E566-V570 PolarHBondContact O-N 3.39Å
567I98.3Very high95.9Very high0 Ų026.2 Ų26.20%014%0.137CC..Hα-helixtrans-58-50.2175.8-62.7161.5000109.3A563 S569 V570 L571 T590 L598 S602 L677 Q681A563-I567 WeakPolarHBondContact O-CD1 3.43Å; A563-I567 VanDerWaalsContact O-CG1 3.23Å; A563-I567 WeakPolarHBondContact O-CG1 3.49Å; A563-I567 PolarHBondContact O-N 3.42Å; I567-S569 VanDerWaalsContact C-N 3.31Å; I567-S569 PolarHBondContact O-N 2.92Å; I567-V570 PolarHBondContact O-N 3.27Å; I567-V570 VanDerWaalsContact O-N 3.09Å; I567-L571 HydrophobicContact CG2-CD1 4.13Å; I567-L571 HydrophobicContact CG2-CG 4.11Å; I567-L571 VanDerWaalsContact O-CG 3.28Å; I567-L571 WeakPolarHBondContact O-CG 3.28Å; I567-L571 PolarHBondContact O-N 3.26Å; I567-T590 HydrophobicContact CD1-CG2 4.2Å; I567-T590 HydrophobicContact CG2-CG2 4.12Å; I567-L598 HydrophobicContact CD1-CB 3.94Å; I567-L598 HydrophobicContact CD1-CD1 4.2Å; I567-L598 HydrophobicContact CD1-CD2 4Å; I567-L598 HydrophobicContact CD1-CG 4.28Å; I567-S602 VanDerWaalsContact CG2-CB 3.41Å; I567-S602 WeakPolarHBondContact CG2-OG 3.42Å; I567-L677 HydrophobicContact CB-CD1 4.23Å; I567-L677 HydrophobicContact CG1-CD1 3.94Å; I567-L677 HydrophobicContact CG2-CD1 3.78Å; I567-Q681 HydrophobicContact CD1-CG 4.21Å; I567-Q681 HydrophobicContact CG1-CB 4.44Å; I567-Q681 HydrophobicContact CG1-CG 3.72Å
568T97.7Very high95.3Very high2 Ų226.3 Ų26.31%0.01214%0.137CC..Hα-helixtrans-57.9-42-178.8-60.70000112.3A321 R324 L564 N565 E566 L571 D572 A605A321-T568 HydrophobicContact CB-CG2 4.31Å; A321-T568 WeakPolarHBondContact CB-OG1 3.29Å; R324-T568 VanDerWaalsContact CZ-CG2 3.42Å; R324-T568 VanDerWaalsContact NH1-CG2 3.28Å; L564-T568 VanDerWaalsContact O-CB 3.27Å; L564-T568 WeakPolarHBondContact O-CB 3.48Å; L564-T568 PolarHBondContact O-N 3.09Å; L564-T568 PolarHBondContact O-OG1 3.46Å; N565-T568 PolarHBondContact O-N 3.47Å; E566-T568 VanDerWaalsContact C-N 3.33Å; E566-T568 PolarHBondContact O-N 3.19Å; T568-L571 WeakPolarHBondContact O-CB 3.32Å; T568-L571 PolarHBondContact O-N 3.24Å; T568-D572 PolarHBondContact O-N 2.84Å; T568-A605 HydrophobicContact CG2-CB 4.2Å
569S96.6Very high94.4Very high46 Ų4630.3 Ų30.332%0.32216%0.158SC..Hα-helixtrans-62.7-43.7175.2179.10000112.1N565 E566 I567 D572 K573N565-S569 WeakPolarHBondContact O-CB 3.43Å; N565-S569 PolarHBondContact O-N 2.95Å; E566-S569 PolarHBondContact O-N 3.11Å; I567-S569 VanDerWaalsContact C-N 3.31Å; I567-S569 PolarHBondContact O-N 2.92Å; S569-D572 PolarHBondContact O-N 3.12Å; S569-K573 WeakPolarHBondContact O-CG 3.22Å; S569-K573 PolarHBondContact O-N 3Å
570V96.4Very high93.4Very high23 Ų2333.6 Ų33.614%0.13919%0.192CC..Hα-helixtrans-65.5-41.6175.9177.10000111.2E566 I567 D572 K573 I574 L677E566-V570 WeakPolarHBondContact O-CG2 3.19Å; E566-V570 PolarHBondContact O-N 3.39Å; I567-V570 PolarHBondContact O-N 3.27Å; I567-V570 VanDerWaalsContact O-N 3.09Å; V570-D572 VanDerWaalsContact C-N 3.26Å; V570-D572 PolarHBondContact O-N 3.4Å; V570-K573 WeakPolarHBondContact O-CB 3.28Å; V570-K573 PolarHBondContact O-N 2.74Å; V570-K573 VanDerWaalsContact O-N 3.13Å; V570-I574 HydrophobicContact CG1-CD1 3.71Å; V570-I574 HydrophobicContact CG1-CG1 4.16Å; V570-I574 WeakPolarHBondContact O-CG1 3.35Å; V570-I574 PolarHBondContact O-N 3.32Å; V570-L677 HydrophobicContact CB-CD2 4.22Å; V570-L677 HydrophobicContact CG1-CD2 3.46Å; V570-L677 VanDerWaalsContact CG1-CD2 3.46Å
571L96.1Very high92.3Very high0 Ų037.1 Ų37.10%021%0.213CC..Hα-helixtrans-57.4-41.6175.8-67.4-177.8000111I567 T568 I574 K575 V588 S602 L642 L644I567-L571 HydrophobicContact CG2-CD1 4.13Å; I567-L571 HydrophobicContact CG2-CG 4.11Å; I567-L571 VanDerWaalsContact O-CG 3.28Å; I567-L571 WeakPolarHBondContact O-CG 3.28Å; I567-L571 PolarHBondContact O-N 3.26Å; T568-L571 WeakPolarHBondContact O-CB 3.32Å; T568-L571 PolarHBondContact O-N 3.24Å; L571-I574 PolarHBondContact O-N 3.35Å; L571-K575 VanDerWaalsContact C-CE 3.47Å; L571-K575 WeakPolarHBondContact O-CB 3.15Å; L571-K575 WeakPolarHBondContact O-CE 3.23Å; L571-K575 VanDerWaalsContact O-CG 3.29Å; L571-K575 WeakPolarHBondContact O-CG 3.44Å; L571-K575 PolarHBondContact O-N 2.95Å; L571-V588 HydrophobicContact CD2-CB 4.18Å; L571-V588 HydrophobicContact CD2-CG1 3.98Å; L571-V588 HydrophobicContact CD2-CG2 3.93Å; L571-S602 WeakPolarHBondContact CD1-O 3.24Å; L571-L642 HydrophobicContact CB-CD2 4.41Å; L571-L642 HydrophobicContact CD1-CD2 4.26Å; L571-L642 HydrophobicContact CD2-CD1 3.92Å; L571-L642 HydrophobicContact CD2-CD2 4.03Å; L571-L642 HydrophobicContact CG-CD2 4.46Å; L571-L644 HydrophobicContact CD1-CD1 4.28Å; L571-L644 HydrophobicContact CD1-CD2 4.2Å; L571-L644 HydrophobicContact CD2-CD1 4.25Å
572D94.9Very high91.1Very high26 Ų2643.5 Ų43.514%0.13924%0.241CC..Hα-helixtrans-63.5-41.2177.3-69.8-21.5000112.4Q92 R324 T568 S569 V570 K575 Q576Q92-D572 WeakPolarHBondContact CB-OD1 3.26Å; Q92-D572 WeakPolarHBondContact CB-OD2 3.46Å; R324-D572 IonicContact CZ-OD2 3Å; R324-D572 VanDerWaalsContact NH1-CG 3.33Å; R324-D572 IonicContact NH1-OD1 3.23Å; R324-D572 PolarHBondContact NH1-OD1 3.22Å; R324-D572 VanDerWaalsContact NH1-OD1 3.1Å; R324-D572 IonicContact NH1-OD2 3.38Å; R324-D572 PolarHBondContact NH1-OD2 3.25Å; R324-D572 IonicContact NH2-OD2 2.69Å; R324-D572 PolarHBondContact NH2-OD2 3.28Å; T568-D572 PolarHBondContact O-N 2.84Å; S569-D572 PolarHBondContact O-N 3.12Å; V570-D572 VanDerWaalsContact C-N 3.26Å; V570-D572 PolarHBondContact O-N 3.4Å; D572-K575 WeakPolarHBondContact O-CB 3.12Å; D572-K575 PolarHBondContact O-N 2.94Å; D572-K575 IonicContact OD1-NZ 2.79Å; D572-K575 PolarHBondContact OD1-NZ 3.43Å; D572-Q576 WeakPolarHBondContact O-CB 3.5Å; D572-Q576 PolarHBondContact O-N 3.34Å
573K93.9Very high90.5Very high138 Ų13848.1 Ų48.160%0.626%0.258SS*.Hα-helixtrans-63.4-44.1175.1-65.2167.8-172.4169.20111.7S569 V570 Q576 S577S569-K573 WeakPolarHBondContact O-CG 3.22Å; S569-K573 PolarHBondContact O-N 3Å; V570-K573 WeakPolarHBondContact O-CB 3.28Å; V570-K573 PolarHBondContact O-N 2.74Å; V570-K573 VanDerWaalsContact O-N 3.13Å; K573-Q576 PolarHBondContact O-N 3.04Å; K573-S577 PolarHBondContact O-N 2.92Å
574I91.9Very high90.2Very high13 Ų1350.2 Ų50.27%0.06727%0.266CS..Hα-helixtrans-63.7-45.3176.8-69.8173.3000110.6V570 L571 Q576 S577 A578 F586 V588 N675V570-I574 HydrophobicContact CG1-CD1 3.71Å; V570-I574 HydrophobicContact CG1-CG1 4.16Å; V570-I574 WeakPolarHBondContact O-CG1 3.35Å; V570-I574 PolarHBondContact O-N 3.32Å; L571-I574 PolarHBondContact O-N 3.35Å; I574-Q576 VanDerWaalsContact C-N 3.29Å; I574-Q576 PolarHBondContact O-N 3.48Å; I574-S577 WeakPolarHBondContact O-CB 3.27Å; I574-S577 PolarHBondContact O-N 3.13Å; I574-S577 VanDerWaalsContact O-N 3.11Å; I574-A578 PolarHBondContact O-N 3.48Å; I574-F586 HydrophobicContact CG2-CB 3.7Å; I574-F586 HydrophobicContact CG2-CD1 3.5Å; I574-F586 VanDerWaalsContact CG2-CD1 3.5Å; I574-F586 HydrophobicContact CG2-CD2 3.35Å; I574-F586 HydrophobicContact CG2-CE1 3.86Å; I574-F586 HydrophobicContact CG2-CE2 3.72Å; I574-F586 HydrophobicContact CG2-CG 3.21Å; I574-F586 HydrophobicContact CG2-CZ 3.96Å; I574-V588 HydrophobicContact CD1-CG2 4.03Å; I574-N675 HydrophobicContact CD1-CB 4.09Å
575K89.8Confident90Very high7 Ų750 Ų503%0.0327%0.265CS..Hα-helixtrans-57.7-41.5175.4-86.8177.5-101.1159.20111.9L571 D572 A578 L579 G606 R640 L642L571-K575 VanDerWaalsContact C-CE 3.47Å; L571-K575 WeakPolarHBondContact O-CB 3.15Å; L571-K575 WeakPolarHBondContact O-CE 3.23Å; L571-K575 VanDerWaalsContact O-CG 3.29Å; L571-K575 WeakPolarHBondContact O-CG 3.44Å; L571-K575 PolarHBondContact O-N 2.95Å; D572-K575 WeakPolarHBondContact O-CB 3.12Å; D572-K575 PolarHBondContact O-N 2.94Å; D572-K575 IonicContact OD1-NZ 2.79Å; D572-K575 PolarHBondContact OD1-NZ 3.43Å; K575-A578 WeakPolarHBondContact O-CB 3.37Å; K575-A578 PolarHBondContact O-N 3.25Å; K575-L579 WeakPolarHBondContact O-CG 3.43Å; K575-L579 PolarHBondContact O-N 3.14Å; K575-L579 VanDerWaalsContact O-N 3.16Å; K575-G606 WeakPolarHBondContact CE-O 3.46Å; K575-G606 PolarHBondContact NZ-O 2.85Å; K575-R640 VanDerWaalsContact CB-NH1 3.28Å; K575-L642 HydrophobicContact CD-CD2 4.26Å; K575-L642 HydrophobicContact CG-CD2 4.37Å
576Q88.1Confident89.9Confident127 Ų12749.5 Ų49.559%0.59326%0.261SS*.Hα-helixtrans-64.4-40.6176-17363.414.900111.7D572 K573 I574 A578 L579 G580D572-Q576 WeakPolarHBondContact O-CB 3.5Å; D572-Q576 PolarHBondContact O-N 3.34Å; K573-Q576 PolarHBondContact O-N 3.04Å; I574-Q576 VanDerWaalsContact C-N 3.29Å; I574-Q576 PolarHBondContact O-N 3.48Å; Q576-A578 PolarHBondContact O-N 3.08Å; Q576-L579 PolarHBondContact O-N 3.36Å; Q576-G580 PolarHBondContact O-N 2.94Å
577S88.7Confident89.8Confident63 Ų6346.4 Ų46.444%0.44125%0.247SC..Hα-helixtrans-60-43.7173.7-177.40000112.1K573 I574 L579 G580 T581K573-S577 PolarHBondContact O-N 2.92Å; I574-S577 WeakPolarHBondContact O-CB 3.27Å; I574-S577 PolarHBondContact O-N 3.13Å; I574-S577 VanDerWaalsContact O-N 3.11Å; S577-L579 VanDerWaalsContact C-N 3.32Å; S577-L579 PolarHBondContact O-N 3.28Å; S577-G580 PolarHBondContact O-N 3.16Å; S577-G580 VanDerWaalsContact O-N 3.16Å; S577-T581 PolarHBondContact O-N 3.26Å; S577-T581 PolarHBondContact O-OG1 3.19Å
578A84.6Confident89.8Confident1 Ų146.4 Ų46.41%0.00825%0.247CC..Hα-helixtrans-59.5-40.5177.100000112.8I574 K575 Q576 G580 T581 K582 R584 F586 R640I574-A578 PolarHBondContact O-N 3.48Å; K575-A578 WeakPolarHBondContact O-CB 3.37Å; K575-A578 PolarHBondContact O-N 3.25Å; Q576-A578 PolarHBondContact O-N 3.08Å; A578-G580 VanDerWaalsContact C-N 3.29Å; A578-G580 PolarHBondContact O-N 3.48Å; A578-T581 PolarHBondContact O-N 3.07Å; A578-K582 PolarHBondContact O-N 2.76Å; A578-R584 HydrophobicContact CB-CB 4.37Å; A578-F586 HydrophobicContact CB-CD2 4.08Å; A578-F586 HydrophobicContact CB-CE2 3.74Å; A578-R640 HydrophobicContact CB-CB 3.97Å
579L79Confident89.8Confident85 Ų8548 Ų4845%0.44525%0.254SS..Hα-helixtrans-63.5-36.1178-71.6171.5000112K575 Q576 S577K575-L579 WeakPolarHBondContact O-CG 3.43Å; K575-L579 PolarHBondContact O-N 3.14Å; K575-L579 VanDerWaalsContact O-N 3.16Å; Q576-L579 PolarHBondContact O-N 3.36Å; S577-L579 VanDerWaalsContact C-N 3.32Å; S577-L579 PolarHBondContact O-N 3.28Å
580G77.1Confident89.9Confident68 Ų6845.8 Ų45.870%0.70124%0.239SC*.Hα-helixtrans-69.4-36.8179.300000113.9Q576 S577 A578Q576-G580 PolarHBondContact O-N 2.94Å; S577-G580 PolarHBondContact O-N 3.16Å; S577-G580 VanDerWaalsContact O-N 3.16Å; A578-G580 VanDerWaalsContact C-N 3.29Å; A578-G580 PolarHBondContact O-N 3.48Å
581T74Confident90Very high74 Ų7446.3 Ų46.345%0.45424%0.24SC..Hα-helixtrans-88.2-11.7-176.94.60000114.4S577 A578 R584S577-T581 PolarHBondContact O-N 3.26Å; S577-T581 PolarHBondContact O-OG1 3.19Å; A578-T581 PolarHBondContact O-N 3.07Å; T581-R584 PolarHBondContact OG1-NH1 2.94Å
582K73.9Confident90Very high144 Ų14446.3 Ų46.363%0.62624%0.24SC*.SBendtrans56.5129.8-172.8-62.5178.7-178.6172.90112.7A578 K639A578-K582 PolarHBondContact O-N 2.76Å; K582-K639 HydrophobicContact CB-CD 4.36Å; K582-K639 HydrophobicContact CG-CD 4.34Å
583R87.1Confident90.1Very high100 Ų10045.9 Ų45.938%0.37724%0.242SC..SBendtrans63.362.4173.5-57.4177.9162.9-168.8-3.8113.7I634 K639 I669 F670 D671R583-I634 HydrophobicContact CB-CG2 3.84Å; R583-I634 HydrophobicContact CG-CG2 3.75Å; R583-K639 WeakPolarHBondContact CA-O 3.46Å; R583-K639 HydrophobicContact CG-CB 4.37Å; R583-K639 HydrophobicContact CG-CG 4.42Å; R583-K639 PolarHBondContact N-O 3.18Å; R583-I669 WeakPolarHBondContact CB-O 3.43Å; R583-I669 VanDerWaalsContact CD-O 3.32Å; R583-I669 WeakPolarHBondContact CD-O 3.4Å; R583-F670 HydrophobicContact CB-CB 4.42Å; R583-F670 VanDerWaalsContact O-CA 3.27Å; R583-F670 WeakPolarHBondContact O-CA 3.3Å; R583-F670 WeakPolarHBondContact O-CB 3.37Å; R583-D671 PolarHBondContact O-N 3.45Å; R583-D671 VanDerWaalsContact O-N 3.13Å
584R91.5Very high90.2Very high44 Ų4443.3 Ų43.317%0.16623%0.229CC..EExtended strand (participates in β ladder)trans-130.3139.6178.3-176.2165.3-77.5164-5.3112.9A578 T581 F586 K639 R640 G641 D671A578-R584 HydrophobicContact CB-CB 4.37Å; T581-R584 PolarHBondContact OG1-NH1 2.94Å; R584-F586 HydrophobicContact CG-CD2 4.12Å; R584-F586 HydrophobicContact CG-CE2 3.73Å; R584-F586 HydrophobicContact CG-CZ 4.22Å; R584-K639 PolarHBondContact N-O 3.45Å; R584-R640 WeakPolarHBondContact O-CA 3.26Å; R584-G641 PolarHBondContact O-N 3.29Å; R584-D671 CarbonylContact C-O 3.48Å; R584-D671 WeakPolarHBondContact CA-O 3.43Å; R584-D671 IonicContact CZ-OD2 3.56Å; R584-D671 IonicContact NE-OD2 2.8Å; R584-D671 PolarHBondContact NE-OD2 3.16Å; R584-D671 IonicContact NH2-OD2 3.57Å; R584-D671 PolarHBondContact NH2-OD2 3.48Å
585V93.9Very high90.5Very high0 Ų042.8 Ų42.80%023%0.226CC..EExtended strand (participates in β ladder)trans-108.7137.8171.9179.60000109.4L630 I634 G641 V643 Y662 F670 D671 C672 R673V585-L630 HydrophobicContact CG1-CD1 4Å; V585-L630 HydrophobicContact CG2-CD1 4.3Å; V585-L630 HydrophobicContact CG2-CD2 4.49Å; V585-I634 HydrophobicContact CG2-CD1 3.53Å; V585-G641 WeakPolarHBondContact CA-O 3.39Å; V585-V643 HydrophobicContact CG1-CG2 4.34Å; V585-Y662 HydrophobicContact CG1-CD2 4.24Å; V585-F670 HydrophobicContact CB-CD2 3.93Å; V585-F670 HydrophobicContact CB-CE2 3.98Å; V585-F670 HydrophobicContact CG2-CB 4.36Å; V585-F670 HydrophobicContact CG2-CD1 4.14Å; V585-F670 HydrophobicContact CG2-CD2 3.36Å; V585-F670 HydrophobicContact CG2-CE1 4.23Å; V585-F670 HydrophobicContact CG2-CE2 3.49Å; V585-F670 VanDerWaalsContact CG2-CE2 3.49Å; V585-F670 HydrophobicContact CG2-CG 3.71Å; V585-F670 HydrophobicContact CG2-CZ 3.94Å; V585-D671 PolarHBondContact N-O 2.87Å; V585-C672 CarbonylContact O-C 3.06Å; V585-C672 WeakPolarHBondContact O-CA 3.43Å; V585-R673 PolarHBondContact O-N 3.47Å
586F95.7Very high90.9Very high13 Ų1342.4 Ų42.46%0.05723%0.225CC..EExtended strand (participates in β ladder)trans-114.5130171.9-77.4-87.4000110.8I574 A578 R584 V588 G641 L642 V643 R673 N675I574-F586 HydrophobicContact CG2-CB 3.7Å; I574-F586 HydrophobicContact CG2-CD1 3.5Å; I574-F586 VanDerWaalsContact CG2-CD1 3.5Å; I574-F586 HydrophobicContact CG2-CD2 3.35Å; I574-F586 HydrophobicContact CG2-CE1 3.86Å; I574-F586 HydrophobicContact CG2-CE2 3.72Å; I574-F586 HydrophobicContact CG2-CG 3.21Å; I574-F586 HydrophobicContact CG2-CZ 3.96Å; A578-F586 HydrophobicContact CB-CD2 4.08Å; A578-F586 HydrophobicContact CB-CE2 3.74Å; R584-F586 HydrophobicContact CG-CD2 4.12Å; R584-F586 HydrophobicContact CG-CE2 3.73Å; R584-F586 HydrophobicContact CG-CZ 4.22Å; F586-V588 HydrophobicContact CB-CG2 4.26Å; F586-G641 PolarHBondContact N-O 2.84Å; F586-L642 HydrophobicContact CB-CD1 4.19Å; F586-V643 PolarHBondContact O-N 3.01Å; F586-R673 CarbonylContact C-O 3.58Å; F586-R673 WeakPolarHBondContact CA-O 3.4Å; F586-R673 HydrophobicContact CD1-CB 3.67Å; F586-R673 HydrophobicContact CE1-CB 3.57Å; F586-R673 HydrophobicContact CE1-CG 4.23Å; F586-R673 HydrophobicContact CZ-CB 4.37Å; F586-N675 WeakPolarHBondContact CD1-OD1 3.2Å
587V97.2Very high91.4Very high0 Ų036.7 Ų36.70%020%0.197CC..EExtended strand (participates in β ladder)trans-96.5117.6165.2-178.90000107V643 I658 R673 C674 N675V587-V643 CarbonylContact C-O 3.48Å; V587-V643 WeakPolarHBondContact CA-O 3.43Å; V587-V643 HydrophobicContact CG2-CB 4.46Å; V587-I658 HydrophobicContact CG1-CB 4.42Å; V587-I658 HydrophobicContact CG1-CG2 4.19Å; V587-I658 HydrophobicContact CG2-CG2 3.87Å; V587-R673 PolarHBondContact N-O 3.02Å; V587-C674 CarbonylContact O-C 3.49Å; V587-C674 WeakPolarHBondContact O-CA 3.29Å; V587-N675 PolarHBondContact O-N 3.01Å
588V97.9Very high91.9Very high0 Ų033.7 Ų33.70%018%0.176CC..EExtended strand (participates in β ladder)trans-114.6120.6-175.8-177.10000109.5L571 I574 F586 L642 V643 L644 R645 N675 L677L571-V588 HydrophobicContact CD2-CB 4.18Å; L571-V588 HydrophobicContact CD2-CG1 3.98Å; L571-V588 HydrophobicContact CD2-CG2 3.93Å; I574-V588 HydrophobicContact CD1-CG2 4.03Å; F586-V588 HydrophobicContact CB-CG2 4.26Å; V588-L642 HydrophobicContact CG2-CD1 3.69Å; V588-V643 PolarHBondContact N-O 2.82Å; V588-L644 HydrophobicContact CB-CG 4.38Å; V588-L644 CarbonylContact O-C 3.51Å; V588-L644 WeakPolarHBondContact O-CA 3.24Å; V588-R645 PolarHBondContact O-N 3.33Å; V588-N675 CarbonylContact C-O 3.55Å; V588-N675 WeakPolarHBondContact CA-O 3.48Å; V588-N675 HydrophobicContact CG2-CB 4.42Å; V588-L677 HydrophobicContact CG1-CD1 3.77Å; V588-L677 HydrophobicContact CG1-CD2 3.89Å; V588-L677 HydrophobicContact CG1-CG 3.68Å
589E98.4Very high92.5Very high35 Ų3533.6 Ų33.616%0.16418%0.176CC..EExtended strand (participates in β ladder)trans-89.5123.5175.9-168.8173.4103.100110.8R645 E647 S655 N675 V676 L677E589-R645 VanDerWaalsContact CA-O 3.28Å; E589-R645 WeakPolarHBondContact CA-O 3.48Å; E589-R645 IonicContact OE2-CZ 3.4Å; E589-R645 IonicContact OE2-NH1 3.63Å; E589-R645 PolarHBondContact OE2-NH1 2.84Å; E589-E647 HydrophobicContact CG-CB 4.31Å; E589-S655 WeakPolarHBondContact CB-OG 3.42Å; E589-S655 WeakPolarHBondContact OE2-CB 3.44Å; E589-S655 PolarHBondContact OE2-OG 3.06Å; E589-N675 PolarHBondContact N-O 2.86Å; E589-V676 HydrophobicContact CB-CB 4.39Å; E589-V676 HydrophobicContact CB-CG1 4.33Å; E589-V676 HydrophobicContact CB-CG2 4.08Å; E589-L677 PolarHBondContact O-N 3.28Å
590T98.4Very high93.4Very high1 Ų129.6 Ų29.61%0.00616%0.155CC..EExtended strand (participates in β ladder)trans-101.5152.3172.265.60000110.7I567 A599 L644 R645 E647 L677 Q681I567-T590 HydrophobicContact CD1-CG2 4.2Å; I567-T590 HydrophobicContact CG2-CG2 4.12Å; T590-A599 WeakPolarHBondContact OG1-CB 3.35Å; T590-A599 PolarHBondContact OG1-N 3.45Å; T590-L644 HydrophobicContact CG2-CD2 3.98Å; T590-R645 PolarHBondContact N-O 3.28Å; T590-E647 PolarHBondContact O-N 3.38Å; T590-L677 HydrophobicContact CG2-CD1 4.48Å; T590-Q681 VanDerWaalsContact CA-OE1 3.31Å
591M97.9Very high94.4Very high33 Ų3326.6 Ų26.616%0.16312%0.123CC..  trans-71.1178.2166-75.7173.586.200109.8I547 G678 Q681I547-M591 HydrophobicContact CD1-CB 4.11Å; I547-M591 HydrophobicContact CD1-CE 4.4Å; I547-M591 HydrophobicContact CD1-SD 4.1Å; M591-G678 VanDerWaalsContact SD-O 3.41Å; M591-Q681 VanDerWaalsContact N-NE2 3.12Å
592G96.6Very high95.5Very high1 Ų123.1 Ų23.11%0.0110%0.101CC..  trans142.8-5.9177.700000112.9S548 Y594 C595 E647S548-G592 WeakPolarHBondContact OG-CA 3.32Å; G592-Y594 PolarHBondContact O-N 3.37Å; G592-C595 VanDerWaalsContact O-CB 3.26Å; G592-C595 WeakPolarHBondContact O-CB 3.34Å; G592-C595 PolarHBondContact O-N 2.92Å; G592-E647 PolarHBondContact N-OE1 3.09Å; G592-E647 VanDerWaalsContact N-OE1 3.13Å
593G96.4Very high96.6Very high16 Ų1616.2 Ų16.217%0.1657%0.072CC..THydrogen-bonded Turntrans59.5-126.3-16600000109.9C595 E647 Y648G593-C595 VanDerWaalsContact C-N 3.29Å; G593-E647 WeakPolarHBondContact CA-OE1 3.41Å; G593-E647 PolarHBondContact N-OE1 2.94Å; G593-Y648 VanDerWaalsContact CA-CD2 3.42Å; G593-Y648 WeakPolarHBondContact O-CB 3.2Å; G593-Y648 PolarHBondContact O-N 3.26Å
594Y97.3Very high97.1Very high85 Ų8511.7 Ų11.733%0.3336%0.055SC..THydrogen-bonded Turntrans-81.9-5.8172-66.7-79.4000113.1G592 F614 Y648 H753G592-Y594 PolarHBondContact O-N 3.37Å; Y594-F614 HydrophobicContact CD1-CB 4.26Å; Y594-F614 HydrophobicContact CD1-CD1 4.08Å; Y594-F614 AromaticContact CD1-CD2 3.58Å; Y594-F614 HydrophobicContact CD1-CD2 3.58Å; Y594-F614 HydrophobicContact CD1-CE1 4.32Å; Y594-F614 AromaticContact CD1-CE2 3.85Å; Y594-F614 HydrophobicContact CD1-CE2 3.85Å; Y594-F614 AromaticContact CD1-CG 3.7Å; Y594-F614 HydrophobicContact CD1-CG 3.7Å; Y594-F614 HydrophobicContact CD1-CZ 4.21Å; Y594-F614 HydrophobicContact CE1-CD2 4.1Å; Y594-F614 HydrophobicContact CE1-CE2 4.09Å; Y594-F614 HydrophobicContact CG-CD1 4.47Å; Y594-F614 HydrophobicContact CG-CG 4.43Å; Y594-F614 WeakPolarHBondContact O-CB 3.44Å; Y594-Y648 AromaticContact CD2-CD2 3.93Å; Y594-Y648 HydrophobicContact CD2-CD2 3.93Å; Y594-Y648 HydrophobicContact CE1-CD2 4.49Å; Y594-Y648 HydrophobicContact CE1-CG 4.43Å; Y594-Y648 AromaticContact CE2-CD2 3.88Å; Y594-Y648 HydrophobicContact CE2-CD2 3.88Å; Y594-Y648 HydrophobicContact CG-CD2 4.27Å; Y594-H753 HydrophobicContact CD2-CB 4.04Å; Y594-H753 WeakPolarHBondContact CD2-O 3.34Å; Y594-H753 AromaticContact CE1-CD2 3.97Å; Y594-H753 HydrophobicContact CG-CB 4Å
595C97.8Very high97.4Very high1 Ų19.6 Ų9.61%0.0075%0.047CC..  trans-85.2119.6-179.5-173.10000110.7S548 N550 G592 G593 Y597 E615 L755S548-C595 PolarHBondContact O-SG 2.88Å; N550-C595 HydrophobicContact CB-CB 3.83Å; G592-C595 VanDerWaalsContact O-CB 3.26Å; G592-C595 WeakPolarHBondContact O-CB 3.34Å; G592-C595 PolarHBondContact O-N 2.92Å; G593-C595 VanDerWaalsContact C-N 3.29Å; C595-Y597 VanDerWaalsContact C-N 3.27Å; C595-Y597 PolarHBondContact O-N 2.8Å; C595-E615 WeakPolarHBondContact CA-OE1 3.41Å; C595-L755 HydrophobicContact CB-CD2 3.54Å
596G97.7Very high97.5Very high0 Ų09.6 Ų9.60%05%0.047CC..  trans-77.8-0.1178.900000115.3L598 A599 T600 E615G596-L598 PolarHBondContact O-N 2.85Å; G596-A599 PolarHBondContact O-N 2.92Å; G596-T600 VanDerWaalsContact O-CB 3.31Å; G596-T600 WeakPolarHBondContact O-CB 3.27Å; G596-T600 PolarHBondContact O-N 3.26Å; G596-T600 PolarHBondContact O-OG1 3.42Å; G596-E615 WeakPolarHBondContact CA-OE2 3.39Å; G596-E615 PolarHBondContact N-OE1 3.3Å; G596-E615 PolarHBondContact N-OE2 3Å; G596-E615 VanDerWaalsContact N-OE2 3.17Å
597Y98.2Very high97.4Very high6 Ų69.8 Ų9.82%0.0245%0.052CC..Hα-helixtrans-52.2-55.6-176173.5-99.2000112.2N549 C560 C595 A599 T600 M601 W760 W761N549-Y597 HydrophobicContact CB-CD1 3.63Å; N549-Y597 HydrophobicContact CB-CD2 4.26Å; N549-Y597 HydrophobicContact CB-CE1 4.05Å; N549-Y597 HydrophobicContact CB-CG 3.76Å; C560-Y597 HydrophobicContact CB-CD1 4.46Å; C560-Y597 HydrophobicContact CB-CE1 3.83Å; C595-Y597 VanDerWaalsContact C-N 3.27Å; C595-Y597 PolarHBondContact O-N 2.8Å; Y597-A599 PolarHBondContact O-N 2.98Å; Y597-T600 PolarHBondContact O-N 2.85Å; Y597-M601 HydrophobicContact CD2-CG 3.69Å; Y597-M601 HydrophobicContact CE1-CG 4.49Å; Y597-M601 HydrophobicContact CE2-CG 3.54Å; Y597-M601 HydrophobicContact CG-CG 4.28Å; Y597-M601 VanDerWaalsContact O-CB 3.32Å; Y597-M601 WeakPolarHBondContact O-CB 3.3Å; Y597-M601 VanDerWaalsContact O-CG 3.23Å; Y597-M601 WeakPolarHBondContact O-CG 3.29Å; Y597-M601 PolarHBondContact O-N 2.95Å; Y597-W760 AromaticContact CE2-CZ2 3.94Å; Y597-W760 HydrophobicContact CE2-CZ2 3.94Å; Y597-W761 HydrophobicContact CD2-CB 4.22Å; Y597-W761 AromaticContact CD2-CD1 3.46Å; Y597-W761 VanDerWaalsContact CD2-CD1 3.46Å; Y597-W761 HydrophobicContact CD2-CD2 4.19Å; Y597-W761 AromaticContact CD2-CG 3.68Å; Y597-W761 HydrophobicContact CD2-CG 3.68Å; Y597-W761 AromaticContact CD2-NE1 3.76Å; Y597-W761 HydrophobicContact CE2-CG 4.44Å
598L98.4Very high97.3Very high0 Ų09.9 Ų9.90%05%0.053CC..Hα-helixtrans-62.9-46.1-176.8-71179.7000111.4I547 A563 I567 G596 T600 S602I547-L598 HydrophobicContact CB-CD1 4.35Å; I547-L598 HydrophobicContact CD1-CD1 4.3Å; I547-L598 HydrophobicContact CG1-CD1 4.23Å; I547-L598 WeakPolarHBondContact O-CD1 3.33Å; I547-L598 WeakPolarHBondContact O-CD2 3.04Å; I547-L598 WeakPolarHBondContact O-CG 3.42Å; A563-L598 HydrophobicContact CB-CD1 4.44Å; A563-L598 HydrophobicContact CB-CD2 3.93Å; I567-L598 HydrophobicContact CD1-CB 3.94Å; I567-L598 HydrophobicContact CD1-CD1 4.2Å; I567-L598 HydrophobicContact CD1-CD2 4Å; I567-L598 HydrophobicContact CD1-CG 4.28Å; G596-L598 PolarHBondContact O-N 2.85Å; L598-T600 PolarHBondContact O-N 2.82Å; L598-S602 WeakPolarHBondContact O-CB 3.37Å; L598-S602 PolarHBondContact O-N 3.16Å; L598-S602 PolarHBondContact O-OG 3.44Å
599A97.9Very high97.1Very high0 Ų010.2 Ų10.20%06%0.055CC..Hα-helixtrans-59.4-46.217800000111.6T590 G596 Y597 A603 I613 L644 A646T590-A599 WeakPolarHBondContact OG1-CB 3.35Å; T590-A599 PolarHBondContact OG1-N 3.45Å; G596-A599 PolarHBondContact O-N 2.92Å; Y597-A599 PolarHBondContact O-N 2.98Å; A599-A603 WeakPolarHBondContact O-CB 3.48Å; A599-A603 PolarHBondContact O-N 3.1Å; A599-I613 HydrophobicContact CB-CG2 3.86Å; A599-L644 WeakPolarHBondContact O-CD2 3.37Å; A599-A646 HydrophobicContact CB-CB 4.01Å
600T97.8Very high96.9Very high1 Ų18.6 Ų8.61%0.0065%0.048CC..Hα-helixtrans-70.1-51.5-176.5-580000111.8G596 Y597 L598 S602 A603 L604 W761 R765G596-T600 VanDerWaalsContact O-CB 3.31Å; G596-T600 WeakPolarHBondContact O-CB 3.27Å; G596-T600 PolarHBondContact O-N 3.26Å; G596-T600 PolarHBondContact O-OG1 3.42Å; Y597-T600 PolarHBondContact O-N 2.85Å; L598-T600 PolarHBondContact O-N 2.82Å; T600-S602 PolarHBondContact O-N 2.97Å; T600-A603 WeakPolarHBondContact O-CB 3.24Å; T600-A603 PolarHBondContact O-N 2.87Å; T600-L604 PolarHBondContact O-N 2.93Å; T600-W761 HydrophobicContact CG2-CE3 4Å; T600-W761 HydrophobicContact CG2-CZ3 4.34Å; T600-W761 WeakPolarHBondContact OG1-CZ3 3.18Å; T600-R765 HydrophobicContact CG2-CG 3.71Å
601M97.9Very high96.8Very high5 Ų58.7 Ų8.73%0.0255%0.048CC..Hα-helixtrans-68.7-39.5-175.1-62.9-55.2-73.800111.3I325 L564 Y597 A603 L604 A605 W760 W761 L764I325-M601 HydrophobicContact CD1-CB 4.35Å; I325-M601 HydrophobicContact CD1-CE 3.82Å; I325-M601 HydrophobicContact CG1-CE 4.49Å; I325-M601 HydrophobicContact CG2-CE 3.97Å; L564-M601 HydrophobicContact CD1-CB 3.78Å; L564-M601 HydrophobicContact CD2-CB 4.15Å; Y597-M601 HydrophobicContact CD2-CG 3.69Å; Y597-M601 HydrophobicContact CE1-CG 4.49Å; Y597-M601 HydrophobicContact CE2-CG 3.54Å; Y597-M601 HydrophobicContact CG-CG 4.28Å; Y597-M601 VanDerWaalsContact O-CB 3.32Å; Y597-M601 WeakPolarHBondContact O-CB 3.3Å; Y597-M601 VanDerWaalsContact O-CG 3.23Å; Y597-M601 WeakPolarHBondContact O-CG 3.29Å; Y597-M601 PolarHBondContact O-N 2.95Å; M601-A603 VanDerWaalsContact C-N 3.35Å; M601-L604 PolarHBondContact O-N 3.33Å; M601-A605 WeakPolarHBondContact O-CB 3.41Å; M601-A605 PolarHBondContact O-N 3.43Å; M601-W760 HydrophobicContact CE-CH2 3.79Å; M601-W760 HydrophobicContact CE-CZ3 4.32Å; M601-W761 HydrophobicContact CG-CB 4.5Å; M601-W761 HydrophobicContact SD-CB 3.85Å; M601-L764 HydrophobicContact CE-CD1 3.77Å; M601-L764 HydrophobicContact SD-CD1 3.77Å
602S97.9Very high96.8Very high0 Ų07.5 Ų7.50%04%0.042CC..Hα-helixtrans-73.3-26.8175.467.60000112.8I567 L571 L598 T600 G606 L644I567-S602 VanDerWaalsContact CG2-CB 3.41Å; I567-S602 WeakPolarHBondContact CG2-OG 3.42Å; L571-S602 WeakPolarHBondContact CD1-O 3.24Å; L598-S602 WeakPolarHBondContact O-CB 3.37Å; L598-S602 PolarHBondContact O-N 3.16Å; L598-S602 PolarHBondContact O-OG 3.44Å; T600-S602 PolarHBondContact O-N 2.97Å; S602-G606 VanDerWaalsContact O-CA 3.28Å; S602-G606 WeakPolarHBondContact O-CA 3.24Å; S602-G606 PolarHBondContact O-N 2.79Å; S602-L644 WeakPolarHBondContact OG-CD2 3.46Å
603A97.4Very high96.9Very high0 Ų07.4 Ų7.40%04%0.042CC..Hα-helixtrans-64.9-44169.700000111.2A599 T600 M601 G606 G607 A608 A611 L644 M768A599-A603 WeakPolarHBondContact O-CB 3.48Å; A599-A603 PolarHBondContact O-N 3.1Å; T600-A603 WeakPolarHBondContact O-CB 3.24Å; T600-A603 PolarHBondContact O-N 2.87Å; M601-A603 VanDerWaalsContact C-N 3.35Å; A603-G606 PolarHBondContact O-N 3.39Å; A603-G607 WeakPolarHBondContact O-CA 3.49Å; A603-G607 PolarHBondContact O-N 3.21Å; A603-A608 HydrophobicContact CB-CB 3.76Å; A603-A608 PolarHBondContact O-N 3.43Å; A603-A611 HydrophobicContact CB-CB 3.74Å; A603-L644 HydrophobicContact CB-CB 4.45Å; A603-L644 HydrophobicContact CB-CD1 4.27Å; A603-L644 HydrophobicContact CB-CD2 4.17Å; A603-M768 HydrophobicContact CB-CG 4.23Å; A603-M768 HydrophobicContact CB-SD 3.52Å; A603-M768 VanDerWaalsContact CB-SD 3.52Å
604L96.9Very high96.9Very high4 Ų49.7 Ų9.72%0.0215%0.047CC..Hα-helixtrans-64.4-49.3175.2-176.659.9000111.8I325 T600 M601 G606 G607 L764 L767 M768I325-L604 HydrophobicContact CG1-CD2 4.28Å; I325-L604 HydrophobicContact CG1-CG 4.3Å; I325-L604 HydrophobicContact CG2-CD2 3.99Å; T600-L604 PolarHBondContact O-N 2.93Å; M601-L604 PolarHBondContact O-N 3.33Å; L604-G606 VanDerWaalsContact C-N 3.27Å; L604-G606 PolarHBondContact O-N 2.95Å; L604-G607 PolarHBondContact O-N 3.36Å; L604-L764 HydrophobicContact CD2-CB 4.43Å; L604-L764 HydrophobicContact CD2-CD1 4.4Å; L604-L767 HydrophobicContact CD1-CD2 4.46Å; L604-L767 HydrophobicContact CD1-CG 4.28Å; L604-L767 HydrophobicContact CD2-CD2 4.41Å; L604-M768 HydrophobicContact CD1-CB 4.34Å
605A97.5Very high96.8Very high0 Ų08 Ų80%04%0.042CC..Hα-helixtrans-66.1-28.9177.200000113.2L91 A321 R324 I325 T568 M601L91-A605 WeakPolarHBondContact CD2-O 3.38Å; A321-A605 HydrophobicContact CB-CB 4.16Å; R324-A605 HydrophobicContact CB-CB 4.35Å; R324-A605 WeakPolarHBondContact CD-O 3.42Å; I325-A605 HydrophobicContact CD1-CB 3.95Å; I325-A605 HydrophobicContact CG1-CB 3.9Å; T568-A605 HydrophobicContact CG2-CB 4.2Å; M601-A605 WeakPolarHBondContact O-CB 3.41Å; M601-A605 PolarHBondContact O-N 3.43Å
606G95.8Very high96.6Very high1 Ų111.3 Ų11.31%0.016%0.058CC..Hα-helixtrans-84.8-20.1178.700000113.5K575 S602 A603 L604K575-G606 WeakPolarHBondContact CE-O 3.46Å; K575-G606 PolarHBondContact NZ-O 2.85Å; S602-G606 VanDerWaalsContact O-CA 3.28Å; S602-G606 WeakPolarHBondContact O-CA 3.24Å; S602-G606 PolarHBondContact O-N 2.79Å; A603-G606 PolarHBondContact O-N 3.39Å; L604-G606 VanDerWaalsContact C-N 3.27Å; L604-G606 PolarHBondContact O-N 2.95Å
607G94.3Very high96.3Very high16 Ų1616.7 Ų16.717%0.1659%0.093CC..THydrogen-bonded Turntrans63.645.3-169.800000111.4A603 L604A603-G607 WeakPolarHBondContact O-CA 3.49Å; A603-G607 PolarHBondContact O-N 3.21Å; L604-G607 PolarHBondContact O-N 3.36Å
608A94.9Very high96.1Very high3 Ų317.1 Ų17.13%0.02510%0.095CC..  trans-70.9159.4173.400000111.4A603 L642 L644A603-A608 HydrophobicContact CB-CB 3.76Å; A603-A608 PolarHBondContact O-N 3.43Å; A608-L642 HydrophobicContact CB-CB 4.34Å; A608-L642 HydrophobicContact CB-CD2 3.95Å; A608-L642 HydrophobicContact CB-CG 3.9Å; A608-L644 HydrophobicContact CB-CD1 3.48Å; A608-L644 VanDerWaalsContact CB-CD1 3.48Å
609D93.3Very high95.9Very high6 Ų620.2 Ų20.23%0.03211%0.114CC..SBendtrans-85-39.4-179.9-63.6-61.9000111.4L630 K633 G641 L642 A772 H774D609-L630 HydrophobicContact CB-CD2 3.81Å; D609-L630 WeakPolarHBondContact OD2-CD2 3.37Å; D609-K633 IonicContact OD1-NZ 3.46Å; D609-K633 PolarHBondContact OD1-NZ 3.09Å; D609-K633 IonicContact OD2-NZ 2.91Å; D609-K633 PolarHBondContact OD2-NZ 3.25Å; D609-G641 VanDerWaalsContact OD2-CA 3.26Å; D609-G641 WeakPolarHBondContact OD2-CA 3.4Å; D609-L642 WeakPolarHBondContact CB-O 3.26Å; D609-L642 PolarHBondContact N-O 3.47Å; D609-L642 PolarHBondContact OD2-N 3.04Å; D609-A772 WeakPolarHBondContact O-CB 2.79Å; D609-H774 PolarHBondContact O-NE2 2.59Å
610A94.8Very high95.8Very high2 Ų223.8 Ų23.82%0.01713%0.132CC..EExtended strand (participates in β ladder)trans-143.2155.5176.700000111.5D626 V643 L644A610-D626 HydrophobicContact CB-CB 4.44Å; A610-V643 HydrophobicContact CB-CG1 4.33Å; A610-V643 HydrophobicContact CB-CG2 4.42Å; A610-V643 WeakPolarHBondContact O-CA 3.44Å; A610-L644 PolarHBondContact O-N 2.93Å
611A97Very high95.6Very high2 Ų227.7 Ų27.72%0.01715%0.153CC..EExtended strand (participates in β ladder)trans-137.9123.9171.300000110A603 L644 R765 M768A603-A611 HydrophobicContact CB-CB 3.74Å; A611-L644 CarbonylContact C-O 3.57Å; A611-L644 VanDerWaalsContact CA-O 3.3Å; A611-L644 WeakPolarHBondContact CA-O 3.48Å; A611-L644 HydrophobicContact CB-CB 4.42Å; A611-R765 PolarHBondContact O-NH2 3.36Å; A611-M768 HydrophobicContact CB-CE 3.98Å; A611-M768 HydrophobicContact CB-SD 3.58Å; A611-M768 VanDerWaalsContact CB-SD 3.58Å
612Y97.8Very high95.3Very high8 Ų830 Ų303%0.03117%0.166CC..EExtended strand (participates in β ladder)trans-103.2126.4177.2-55.8-59.9000110.6F618 L623 D626 V643 L644 R645 A646 A649 I658 Y662Y612-F618 HydrophobicContact CD1-CB 4.34Å; Y612-F618 HydrophobicContact CD1-CD1 4.12Å; Y612-F618 AromaticContact CD1-CD2 3.79Å; Y612-F618 HydrophobicContact CD1-CD2 3.79Å; Y612-F618 HydrophobicContact CD1-CE1 4.42Å; Y612-F618 HydrophobicContact CD1-CE2 4.06Å; Y612-F618 AromaticContact CD1-CG 3.82Å; Y612-F618 HydrophobicContact CD1-CG 3.82Å; Y612-F618 HydrophobicContact CD1-CZ 4.38Å; Y612-F618 HydrophobicContact CE1-CD2 4.3Å; Y612-F618 HydrophobicContact CG-CD2 4.28Å; Y612-F618 HydrophobicContact CG-CE1 4.35Å; Y612-F618 HydrophobicContact CG-CE2 4.08Å; Y612-F618 HydrophobicContact CG-CG 4.48Å; Y612-F618 HydrophobicContact CG-CZ 4.12Å; Y612-L623 HydrophobicContact CD1-CD2 4.32Å; Y612-L623 HydrophobicContact CD2-CD2 4.35Å; Y612-L623 HydrophobicContact CE1-CD2 3.7Å; Y612-L623 HydrophobicContact CE2-CD2 3.67Å; Y612-D626 WeakPolarHBondContact CE1-OD2 3.49Å; Y612-D626 WeakPolarHBondContact OH-CB 3.43Å; Y612-D626 PolarHBondContact OH-OD2 3.21Å; Y612-V643 HydrophobicContact CD2-CG1 3.95Å; Y612-V643 HydrophobicContact CE2-CG1 3.42Å; Y612-V643 VanDerWaalsContact CE2-CG1 3.42Å; Y612-L644 PolarHBondContact N-O 3.33Å; Y612-R645 HydrophobicContact CD2-CB 4.5Å; Y612-R645 WeakPolarHBondContact O-CA 3.4Å; Y612-A646 PolarHBondContact O-N 3.03Å; Y612-A649 WeakPolarHBondContact O-CB 3.41Å; Y612-I658 HydrophobicContact CD2-CD1 3.81Å; Y612-I658 HydrophobicContact CE2-CD1 4.14Å; Y612-I658 HydrophobicContact CE2-CG2 4.45Å; Y612-Y662 PolarHBondContact OH-OH 2.87Å
613I97.4Very high95.2Very high0 Ų030 Ų300%017%0.166CC..  trans-135.4173.3-178.676.3-172.8000109.8A599 E615 E616 W761 L762A599-I613 HydrophobicContact CB-CG2 3.86Å; I613-E615 WeakPolarHBondContact CB-OE2 3.41Å; I613-E615 HydrophobicContact CD1-CB 4Å; I613-E615 WeakPolarHBondContact CD1-OE2 3.42Å; I613-E615 HydrophobicContact CG1-CB 4.22Å; I613-E615 VanDerWaalsContact CG1-OE2 3.26Å; I613-E615 WeakPolarHBondContact CG1-OE2 3.44Å; I613-E616 HydrophobicContact CD1-CB 4.36Å; I613-E616 HydrophobicContact CG1-CB 4.1Å; I613-W761 HydrophobicContact CD1-CH2 3.98Å; I613-W761 HydrophobicContact CD1-CZ3 3.75Å; I613-L762 HydrophobicContact CD1-CD2 3.86Å
614F97.1Very high94.9Very high63 Ų6337.1 Ų37.128%0.27619%0.192SC..SBendtrans-78.9-37.8-179.2172.2-104000112.2Y594 E616 H753 L755Y594-F614 HydrophobicContact CD1-CB 4.26Å; Y594-F614 HydrophobicContact CD1-CD1 4.08Å; Y594-F614 AromaticContact CD1-CD2 3.58Å; Y594-F614 HydrophobicContact CD1-CD2 3.58Å; Y594-F614 HydrophobicContact CD1-CE1 4.32Å; Y594-F614 AromaticContact CD1-CE2 3.85Å; Y594-F614 HydrophobicContact CD1-CE2 3.85Å; Y594-F614 AromaticContact CD1-CG 3.7Å; Y594-F614 HydrophobicContact CD1-CG 3.7Å; Y594-F614 HydrophobicContact CD1-CZ 4.21Å; Y594-F614 HydrophobicContact CE1-CD2 4.1Å; Y594-F614 HydrophobicContact CE1-CE2 4.09Å; Y594-F614 HydrophobicContact CG-CD1 4.47Å; Y594-F614 HydrophobicContact CG-CG 4.43Å; Y594-F614 WeakPolarHBondContact O-CB 3.44Å; F614-E616 PolarHBondContact O-N 2.8Å; F614-H753 HydrophobicContact CE1-CB 4.14Å; F614-H753 AromaticContact CE1-CD2 3.94Å; F614-H753 AromaticContact CE1-CG 3.78Å; F614-H753 AromaticContact CZ-CD2 3.44Å; F614-H753 VanDerWaalsContact CZ-CD2 3.44Å; F614-H753 WeakPolarHBondContact CZ-CD2 3.03Å; F614-H753 AromaticContact CZ-CE1 3.85Å; F614-H753 AromaticContact CZ-CG 3.72Å; F614-H753 AromaticContact CZ-ND1 3.96Å; F614-H753 AromaticContact CZ-NE2 3.54Å; F614-L755 HydrophobicContact CD1-CD1 3.89Å; F614-L755 HydrophobicContact CE1-CD1 4.07Å
615E95Very high94.7Very high50 Ų5041.4 Ų41.423%0.23421%0.212CC..SBendtrans-66.3-21.6-176.7-57.691.1151.500113.6C595 G596 I613 W761 L762C595-E615 WeakPolarHBondContact CA-OE1 3.41Å; G596-E615 WeakPolarHBondContact CA-OE2 3.39Å; G596-E615 PolarHBondContact N-OE1 3.3Å; G596-E615 PolarHBondContact N-OE2 3Å; G596-E615 VanDerWaalsContact N-OE2 3.17Å; I613-E615 WeakPolarHBondContact CB-OE2 3.41Å; I613-E615 HydrophobicContact CD1-CB 4Å; I613-E615 WeakPolarHBondContact CD1-OE2 3.42Å; I613-E615 HydrophobicContact CG1-CB 4.22Å; I613-E615 VanDerWaalsContact CG1-OE2 3.26Å; I613-E615 WeakPolarHBondContact CG1-OE2 3.44Å; E615-W761 HydrophobicContact CG-CH2 4.34Å; E615-W761 VanDerWaalsContact OE1-CH2 3.27Å; E615-W761 WeakPolarHBondContact OE1-CH2 3.45Å; E615-W761 WeakPolarHBondContact OE1-CZ2 3.23Å; E615-L762 HydrophobicContact CB-CD1 4.39Å; E615-L762 HydrophobicContact CB-CD2 3.93Å
616E92.9Very high94.5Very high70 Ų7041.5 Ų41.533%0.32721%0.213SC..SBendtrans-118.493.1173.8-172.1-179.4117.100108.7I613 F614 F618 R765I613-E616 HydrophobicContact CD1-CB 4.36Å; I613-E616 HydrophobicContact CG1-CB 4.1Å; F614-E616 PolarHBondContact O-N 2.8Å; E616-F618 PolarHBondContact O-N 2.85Å; E616-R765 IonicContact OE1-CZ 2.68Å; E616-R765 VanDerWaalsContact OE1-CZ 3.29Å; E616-R765 IonicContact OE1-NE 3.67Å; E616-R765 IonicContact OE1-NH1 3.55Å; E616-R765 IonicContact OE1-NH2 3.68Å; E616-R765 PolarHBondContact OE1-NH2 3.3Å; E616-R765 VanDerWaalsContact OE2-CD 3.29Å; E616-R765 WeakPolarHBondContact OE2-CD 3.4Å; E616-R765 IonicContact OE2-CZ 2.92Å; E616-R765 IonicContact OE2-NE 3.06Å; E616-R765 PolarHBondContact OE2-NE 3.23Å; E616-R765 IonicContact OE2-NH1 2.73Å; E616-R765 PolarHBondContact OE2-NH1 2.94Å; E616-R765 IonicContact OE2-NH2 3.3Å; E616-R765 PolarHBondContact OE2-NH2 2.94Å
617P91.7Very high94.4Very high114 Ų11441.7 Ų41.774%0.7421%0.214SC*.  trans-57.7135.6178.5-24.233.7000111.2
618F94.4Very high94.2Very high14 Ų1445.2 Ų45.26%0.06123%0.232CC..  trans-129.3152.4179.761.7-80000110.6Y612 E616 D622 L623 A649 N650 Y653Y612-F618 HydrophobicContact CD1-CB 4.34Å; Y612-F618 HydrophobicContact CD1-CD1 4.12Å; Y612-F618 AromaticContact CD1-CD2 3.79Å; Y612-F618 HydrophobicContact CD1-CD2 3.79Å; Y612-F618 HydrophobicContact CD1-CE1 4.42Å; Y612-F618 HydrophobicContact CD1-CE2 4.06Å; Y612-F618 AromaticContact CD1-CG 3.82Å; Y612-F618 HydrophobicContact CD1-CG 3.82Å; Y612-F618 HydrophobicContact CD1-CZ 4.38Å; Y612-F618 HydrophobicContact CE1-CD2 4.3Å; Y612-F618 HydrophobicContact CG-CD2 4.28Å; Y612-F618 HydrophobicContact CG-CE1 4.35Å; Y612-F618 HydrophobicContact CG-CE2 4.08Å; Y612-F618 HydrophobicContact CG-CG 4.48Å; Y612-F618 HydrophobicContact CG-CZ 4.12Å; E616-F618 PolarHBondContact O-N 2.85Å; F618-D622 HydrophobicContact CB-CB 4.21Å; F618-L623 HydrophobicContact CD2-CD2 4Å; F618-L623 HydrophobicContact CD2-CG 4.26Å; F618-L623 HydrophobicContact CE2-CD2 4.13Å; F618-A649 HydrophobicContact CE1-CB 3.99Å; F618-A649 HydrophobicContact CZ-CB 4.31Å; F618-N650 HydrophobicContact CE1-CB 3.85Å; F618-N650 HydrophobicContact CE2-CB 4.33Å; F618-N650 HydrophobicContact CZ-CB 3.5Å; F618-N650 VanDerWaalsContact CZ-CB 3.5Å; F618-Y653 AromaticContact CD2-CD2 3.99Å; F618-Y653 HydrophobicContact CD2-CD2 3.99Å; F618-Y653 AromaticContact CE2-CD2 3.61Å; F618-Y653 HydrophobicContact CE2-CD2 3.61Å; F618-Y653 HydrophobicContact CE2-CG 4.1Å; F618-Y653 HydrophobicContact CZ-CD2 4.28Å
619T94.5Very high94Very high66 Ų6646.6 Ų46.641%0.40524%0.238SC..  trans-118.9177.7-174.470.60000110.7D621 D622 L623T619-D621 PolarHBondContact O-N 3.19Å; T619-D621 PolarHBondContact OG1-N 3.16Å; T619-D622 WeakPolarHBondContact CA-OD2 3.35Å; T619-D622 WeakPolarHBondContact CB-OD2 3.38Å; T619-D622 PolarHBondContact N-OD2 3.36Å; T619-D622 PolarHBondContact O-N 3.03Å; T619-D622 PolarHBondContact OG1-OD2 3.47Å; T619-L623 PolarHBondContact O-N 3.34Å
620I94.9Very high93.9Very high75 Ų7546.3 Ų46.339%0.38524%0.236SC..Hα-helixtrans-64.1-27.2174-165.560.8000112.3L623 R624 F657 L661I620-L623 HydrophobicContact CD1-CD1 4.18Å; I620-R624 WeakPolarHBondContact O-CB 3.22Å; I620-R624 PolarHBondContact O-N 3.42Å; I620-F657 HydrophobicContact CD1-CE1 4.28Å; I620-F657 HydrophobicContact CD1-CZ 4.23Å; I620-L661 HydrophobicContact CD1-CD2 3.86Å
621D93.7Very high93.8Very high82 Ų8250.5 Ų50.544%0.43925%0.251SS..Hα-helixtrans-69.1-39.6178.1-71-49.4000111.1T619 R624 E625T619-D621 PolarHBondContact O-N 3.19Å; T619-D621 PolarHBondContact OG1-N 3.16Å; D621-R624 WeakPolarHBondContact O-CB 3.28Å; D621-R624 PolarHBondContact O-N 2.73Å; D621-R624 IonicContact OD1-CZ 3.72Å; D621-R624 IonicContact OD1-NH1 3.77Å; D621-R624 PolarHBondContact OD1-NH1 3.47Å; D621-R624 IonicContact OD1-NH2 2.81Å; D621-R624 PolarHBondContact OD1-NH2 3.18Å; D621-E625 PolarHBondContact O-N 3.12Å
622D92.6Very high93.4Very high55 Ų5553.5 Ų53.529%0.29428%0.276SS..Hα-helixtrans-64-46175.3-55-72.1000111.1F618 T619 R624 E625 D626F618-D622 HydrophobicContact CB-CB 4.21Å; T619-D622 WeakPolarHBondContact CA-OD2 3.35Å; T619-D622 WeakPolarHBondContact CB-OD2 3.38Å; T619-D622 PolarHBondContact N-OD2 3.36Å; T619-D622 PolarHBondContact O-N 3.03Å; T619-D622 PolarHBondContact OG1-OD2 3.47Å; D622-R624 VanDerWaalsContact C-N 3.28Å; D622-R624 PolarHBondContact O-N 3.3Å; D622-E625 PolarHBondContact O-N 3.34Å; D622-D626 PolarHBondContact O-N 3.43Å
623L94.5Very high92.9Very high0 Ų055 Ų550%028%0.283CS..Hα-helixtrans-58.7-42.3174.7-64.2-179.2000111.2Y612 F618 T619 I620 D626 V627 Y653 F657 I658 L661 Y662Y612-L623 HydrophobicContact CD1-CD2 4.32Å; Y612-L623 HydrophobicContact CD2-CD2 4.35Å; Y612-L623 HydrophobicContact CE1-CD2 3.7Å; Y612-L623 HydrophobicContact CE2-CD2 3.67Å; F618-L623 HydrophobicContact CD2-CD2 4Å; F618-L623 HydrophobicContact CD2-CG 4.26Å; F618-L623 HydrophobicContact CE2-CD2 4.13Å; T619-L623 PolarHBondContact O-N 3.34Å; I620-L623 HydrophobicContact CD1-CD1 4.18Å; L623-D626 PolarHBondContact O-N 2.93Å; L623-V627 WeakPolarHBondContact O-CG2 3.41Å; L623-V627 PolarHBondContact O-N 3.49Å; L623-Y653 HydrophobicContact CD1-CG 4.28Å; L623-F657 HydrophobicContact CD1-CE1 4.07Å; L623-I658 HydrophobicContact CD1-CG1 4.42Å; L623-I658 HydrophobicContact CD2-CD1 4.42Å; L623-I658 HydrophobicContact CD2-CG1 4.32Å; L623-L661 HydrophobicContact CB-CD2 3.9Å; L623-L661 HydrophobicContact CD1-CD2 3.99Å; L623-Y662 HydrophobicContact CB-CE1 4.49Å; L623-Y662 PolarHBondContact O-OH 3.19Å
624R93Very high92.4Very high149 Ų14955 Ų5556%0.56228%0.283SS*.Hα-helixtrans-63.9-44.1177.6-174.8-176.266.1-145.9-11.6111.3I620 D621 D622 D626 V627 V628I620-R624 WeakPolarHBondContact O-CB 3.22Å; I620-R624 PolarHBondContact O-N 3.42Å; D621-R624 WeakPolarHBondContact O-CB 3.28Å; D621-R624 PolarHBondContact O-N 2.73Å; D621-R624 IonicContact OD1-CZ 3.72Å; D621-R624 IonicContact OD1-NH1 3.77Å; D621-R624 PolarHBondContact OD1-NH1 3.47Å; D621-R624 IonicContact OD1-NH2 2.81Å; D621-R624 PolarHBondContact OD1-NH2 3.18Å; D622-R624 VanDerWaalsContact C-N 3.28Å; D622-R624 PolarHBondContact O-N 3.3Å; R624-D626 VanDerWaalsContact C-N 3.33Å; R624-D626 PolarHBondContact O-N 3.4Å; R624-V627 PolarHBondContact O-N 3.14Å; R624-V628 VanDerWaalsContact O-CG2 3.31Å; R624-V628 WeakPolarHBondContact O-CG2 3.45Å; R624-V628 PolarHBondContact O-N 3.23Å
625E91.6Very high91.8Very high93 Ų9357 Ų5744%0.43530%0.297SS..Hα-helixtrans-59.3-45.6177.3-169.3-175.1148.500111.2D621 D622 V627 V628 H629D621-E625 PolarHBondContact O-N 3.12Å; D622-E625 PolarHBondContact O-N 3.34Å; E625-V627 PolarHBondContact O-N 2.96Å; E625-V628 PolarHBondContact O-N 3.27Å; E625-H629 WeakPolarHBondContact O-CB 3.22Å; E625-H629 PolarHBondContact O-N 2.76Å
626D93.2Very high91Very high3 Ų358.9 Ų58.92%0.01631%0.308CS..Hα-helixtrans-65.7-36.7179.3-69.3-22.5000112.2A610 Y612 D622 L623 R624 H629 L630 Y662 H774A610-D626 HydrophobicContact CB-CB 4.44Å; Y612-D626 WeakPolarHBondContact CE1-OD2 3.49Å; Y612-D626 WeakPolarHBondContact OH-CB 3.43Å; Y612-D626 PolarHBondContact OH-OD2 3.21Å; D622-D626 PolarHBondContact O-N 3.43Å; L623-D626 PolarHBondContact O-N 2.93Å; R624-D626 VanDerWaalsContact C-N 3.33Å; R624-D626 PolarHBondContact O-N 3.4Å; D626-H629 WeakPolarHBondContact O-CB 3.39Å; D626-H629 PolarHBondContact O-N 3.41Å; D626-L630 WeakPolarHBondContact O-CB 3.27Å; D626-L630 VanDerWaalsContact O-CG 3.32Å; D626-L630 WeakPolarHBondContact O-CG 3.26Å; D626-L630 PolarHBondContact O-N 3.13Å; D626-Y662 WeakPolarHBondContact CB-OH 3.16Å; D626-H774 IonicContact OD1-CE1 3.29Å; D626-H774 PolarHBondContact OD1-CE1 3.01Å; D626-H774 IonicContact OD1-ND1 3.18Å; D626-H774 IonicContact OD1-NE2 2.81Å
627V92.9Very high90.2Very high4 Ų461.6 Ų61.62%0.02433%0.325CS..Hα-helixtrans-64.3-46.4171.7172.60000111.5L623 R624 E625 H629 L630 R631 Y662 E665 F670L623-V627 WeakPolarHBondContact O-CG2 3.41Å; L623-V627 PolarHBondContact O-N 3.49Å; R624-V627 PolarHBondContact O-N 3.14Å; E625-V627 PolarHBondContact O-N 2.96Å; V627-H629 VanDerWaalsContact C-N 3.26Å; V627-H629 PolarHBondContact O-N 2.88Å; V627-L630 PolarHBondContact O-N 3.29Å; V627-R631 HydrophobicContact CG1-CG 4.27Å; V627-R631 WeakPolarHBondContact O-CG 3.47Å; V627-R631 PolarHBondContact O-N 3.31Å; V627-Y662 HydrophobicContact CG2-CD1 3.32Å; V627-Y662 HydrophobicContact CG2-CD2 3.85Å; V627-Y662 HydrophobicContact CG2-CE1 3.19Å; V627-Y662 HydrophobicContact CG2-CE2 3.75Å; V627-Y662 HydrophobicContact CG2-CG 3.64Å; V627-Y662 VanDerWaalsContact CG2-CZ 3.4Å; V627-E665 HydrophobicContact CG1-CB 3.65Å; V627-F670 HydrophobicContact CG1-CZ 4.49Å
628V91.9Very high89.4Confident90 Ų9057.2 Ų57.255%0.54530%0.296SS..Hα-helixtrans-60.2-42.4178.5169.70000110.2R624 E625 R631 A632R624-V628 VanDerWaalsContact O-CG2 3.31Å; R624-V628 WeakPolarHBondContact O-CG2 3.45Å; R624-V628 PolarHBondContact O-N 3.23Å; E625-V628 PolarHBondContact O-N 3.27Å; V628-R631 PolarHBondContact O-N 3.05Å; V628-A632 PolarHBondContact O-N 3.08Å
629H90.3Very high88.7Confident32 Ų3260.8 Ų60.815%0.14831%0.312CS..Hα-helixtrans-57.7-49.8173.9-179.184.4000111.8E625 D626 V627 R631 A632 K633 A772 K773 H774E625-H629 WeakPolarHBondContact O-CB 3.22Å; E625-H629 PolarHBondContact O-N 2.76Å; D626-H629 WeakPolarHBondContact O-CB 3.39Å; D626-H629 PolarHBondContact O-N 3.41Å; V627-H629 VanDerWaalsContact C-N 3.26Å; V627-H629 PolarHBondContact O-N 2.88Å; H629-R631 PolarHBondContact O-N 3.44Å; H629-A632 PolarHBondContact O-N 2.88Å; H629-K633 WeakPolarHBondContact O-CB 3.33Å; H629-K633 PolarHBondContact O-N 2.93Å; H629-A772 PolarHBondContact CE1-O 2.92Å; H629-A772 VanDerWaalsContact CE1-O 3.3Å; H629-A772 PolarHBondContact NE2-O 3.27Å; H629-K773 PolarHBondContact CE1-O 3.05Å; H629-H774 AromaticContact CD2-CE1 3.85Å; H629-H774 AromaticContact CD2-NE2 3.44Å; H629-H774 PolarHBondContact CD2-NE2 2.7Å; H629-H774 AromaticContact CG-CE1 3.51Å; H629-H774 AromaticContact CG-NE2 3.57Å; H629-H774 AromaticContact ND1-CE1 3.94Å; H629-H774 AromaticContact ND1-NE2 3.99Å; H629-H774 AromaticContact NE2-NE2 3.85Å
630L91.6Very high88.4Confident1 Ų159.1 Ų59.11%0.00530%0.298CS..Hα-helixtrans-62.8-39.6178.2-77.2170.1000112.8V585 D609 D626 V627 K633 I634 V643 Y662 F670V585-L630 HydrophobicContact CG1-CD1 4Å; V585-L630 HydrophobicContact CG2-CD1 4.3Å; V585-L630 HydrophobicContact CG2-CD2 4.49Å; D609-L630 HydrophobicContact CB-CD2 3.81Å; D609-L630 WeakPolarHBondContact OD2-CD2 3.37Å; D626-L630 WeakPolarHBondContact O-CB 3.27Å; D626-L630 VanDerWaalsContact O-CG 3.32Å; D626-L630 WeakPolarHBondContact O-CG 3.26Å; D626-L630 PolarHBondContact O-N 3.13Å; V627-L630 PolarHBondContact O-N 3.29Å; L630-K633 PolarHBondContact O-N 3.36Å; L630-I634 WeakPolarHBondContact O-CB 3.48Å; L630-I634 WeakPolarHBondContact O-CG1 3.31Å; L630-I634 PolarHBondContact O-N 3.23Å; L630-V643 HydrophobicContact CD1-CG2 3.95Å; L630-Y662 HydrophobicContact CD1-CD2 3.9Å; L630-Y662 HydrophobicContact CD1-CE2 3.54Å; L630-F670 HydrophobicContact CB-CE1 4.13Å; L630-F670 HydrophobicContact CB-CZ 4.41Å
631R91.4Very high88.2Confident89 Ų8955.7 Ų55.734%0.33628%0.281SS..Hα-helixtrans-58.6-51.5174.5-73.9178.567.1122.34.3110.3V627 V628 H629 K633 I634 D635 E665 I669 F670V627-R631 HydrophobicContact CG1-CG 4.27Å; V627-R631 WeakPolarHBondContact O-CG 3.47Å; V627-R631 PolarHBondContact O-N 3.31Å; V628-R631 PolarHBondContact O-N 3.05Å; H629-R631 PolarHBondContact O-N 3.44Å; R631-K633 VanDerWaalsContact C-N 3.33Å; R631-K633 PolarHBondContact O-N 3.42Å; R631-I634 PolarHBondContact O-N 3.31Å; R631-D635 WeakPolarHBondContact O-CB 3.42Å; R631-D635 PolarHBondContact O-N 3.49Å; R631-E665 WeakPolarHBondContact CD-O 3.44Å; R631-E665 PolarHBondContact NH1-O 3.39Å; R631-I669 HydrophobicContact CB-CD1 4.02Å; R631-I669 HydrophobicContact CG-CD1 4.12Å; R631-F670 HydrophobicContact CG-CD1 4.46Å; R631-F670 HydrophobicContact CG-CE1 3.72Å
632A88.1Confident88.3Confident65 Ų6552.1 Ų52.154%0.53726%0.262SS..Hα-helixtrans-61.2-41.6179.200000112.2V628 H629 D636V628-A632 PolarHBondContact O-N 3.08Å; H629-A632 PolarHBondContact O-N 2.88Å; A632-D636 PolarHBondContact O-N 2.99Å
633K87.6Confident88.4Confident41 Ų4149.5 Ų49.518%0.17825%0.248CC..Hα-helixtrans-64.2-41.6178.2176.6-175.2166-167.70113D609 H629 L630 R631 V638 R640D609-K633 IonicContact OD1-NZ 3.46Å; D609-K633 PolarHBondContact OD1-NZ 3.09Å; D609-K633 IonicContact OD2-NZ 2.91Å; D609-K633 PolarHBondContact OD2-NZ 3.25Å; H629-K633 WeakPolarHBondContact O-CB 3.33Å; H629-K633 PolarHBondContact O-N 2.93Å; L630-K633 PolarHBondContact O-N 3.36Å; R631-K633 VanDerWaalsContact C-N 3.33Å; R631-K633 PolarHBondContact O-N 3.42Å; K633-V638 HydrophobicContact CD-CG1 4.5Å; K633-V638 HydrophobicContact CG-CB 3.95Å; K633-V638 HydrophobicContact CG-CG1 4.33Å; K633-V638 PolarHBondContact O-N 3.16Å; K633-R640 WeakPolarHBondContact CE-O 3.36Å; K633-R640 PolarHBondContact NZ-O 3.43Å
634I87.3Confident88.6Confident0 Ų049.5 Ų49.50%025%0.248CC..Hα-helixtrans-80.8-28.9-176.2-68.1171.9000112.7R583 V585 L630 R631 D636 V638 I669 F670R583-I634 HydrophobicContact CB-CG2 3.84Å; R583-I634 HydrophobicContact CG-CG2 3.75Å; V585-I634 HydrophobicContact CG2-CD1 3.53Å; L630-I634 WeakPolarHBondContact O-CB 3.48Å; L630-I634 WeakPolarHBondContact O-CG1 3.31Å; L630-I634 PolarHBondContact O-N 3.23Å; R631-I634 PolarHBondContact O-N 3.31Å; I634-D636 VanDerWaalsContact C-N 3.28Å; I634-V638 WeakPolarHBondContact CA-O 3.31Å; I634-V638 WeakPolarHBondContact CG1-O 3.49Å; I634-I669 HydrophobicContact CB-CG2 4.24Å; I634-I669 HydrophobicContact CG2-CG2 4.03Å; I634-F670 HydrophobicContact CD1-CB 3.78Å; I634-F670 HydrophobicContact CD1-CD1 3.63Å; I634-F670 HydrophobicContact CD1-CE1 4.37Å; I634-F670 HydrophobicContact CD1-CG 3.81Å; I634-F670 HydrophobicContact CG2-CB 4.22Å
635D83.7Confident88.8Confident104 Ų10443 Ų4356%0.55622%0.224SC*.Hα-helixtrans-69.7-29.2174.7-159.744.2000112.2R631 I669R631-D635 WeakPolarHBondContact O-CB 3.42Å; R631-D635 PolarHBondContact O-N 3.49Å; D635-I669 HydrophobicContact CB-CG2 4.49Å
636D79.6Confident89.1Confident90 Ų9038.5 Ų38.548%0.48120%0.203SC..THydrogen-bonded Turntrans-75.9-149.5167.4-169.711.3000111.2A632 I634 V638A632-D636 PolarHBondContact O-N 2.99Å; I634-D636 VanDerWaalsContact C-N 3.28Å; D636-V638 PolarHBondContact O-N 2.96Å
637N76.3Confident89.3Confident127 Ų12740.4 Ų40.468%0.67921%0.212SC*.THydrogen-bonded Turntrans-81.2-11.3-172.3-74.2-50000115.3
638V74.4Confident89.5Confident22 Ų2245.9 Ų45.913%0.13323%0.233CC..  trans-100.993.4-172.4-171.70000112.1K633 I634 D636 R640K633-V638 HydrophobicContact CD-CG1 4.5Å; K633-V638 HydrophobicContact CG-CB 3.95Å; K633-V638 HydrophobicContact CG-CG1 4.33Å; K633-V638 PolarHBondContact O-N 3.16Å; I634-V638 WeakPolarHBondContact CA-O 3.31Å; I634-V638 WeakPolarHBondContact CG1-O 3.49Å; D636-V638 PolarHBondContact O-N 2.96Å; V638-R640 HydrophobicContact CG1-CG 4.36Å; V638-R640 PolarHBondContact O-N 2.92Å
639K79.1Confident89.7Confident89 Ų8942 Ų4239%0.38721%0.21SC..  trans-77.824.4-170.8-58.3-174.6-179.6-179.80116.5K582 R583 R584K582-K639 HydrophobicContact CB-CD 4.36Å; K582-K639 HydrophobicContact CG-CD 4.34Å; R583-K639 WeakPolarHBondContact CA-O 3.46Å; R583-K639 HydrophobicContact CG-CB 4.37Å; R583-K639 HydrophobicContact CG-CG 4.42Å; R583-K639 PolarHBondContact N-O 3.18Å; R584-K639 PolarHBondContact N-O 3.45Å
640R88.3Confident90Very high30 Ų3042.4 Ų42.411%0.11321%0.213CC..EExtended strand (participates in β ladder)trans-145147.6-179.667.2175.2-170.5162.311112.1K575 A578 R584 K633 V638K575-R640 VanDerWaalsContact CB-NH1 3.28Å; A578-R640 HydrophobicContact CB-CB 3.97Å; R584-R640 WeakPolarHBondContact O-CA 3.26Å; K633-R640 WeakPolarHBondContact CE-O 3.36Å; K633-R640 PolarHBondContact NZ-O 3.43Å; V638-R640 HydrophobicContact CG1-CG 4.36Å; V638-R640 PolarHBondContact O-N 2.92Å
641G91.3Very high90.2Very high4 Ų450.3 Ų50.34%0.04125%0.247CC..EExtended strand (participates in β ladder)trans-128.7151.5167.800000112.2R584 V585 F586 D609R584-G641 PolarHBondContact O-N 3.29Å; V585-G641 WeakPolarHBondContact CA-O 3.39Å; F586-G641 PolarHBondContact N-O 2.84Å; D609-G641 VanDerWaalsContact OD2-CA 3.26Å; D609-G641 WeakPolarHBondContact OD2-CA 3.4Å
642L94.6Very high90.5Very high7 Ų754 Ų544%0.03726%0.263CS..EExtended strand (participates in β ladder)trans-140.3126.5177.1176.565000109.6L571 K575 F586 V588 A608 D609 L644L571-L642 HydrophobicContact CB-CD2 4.41Å; L571-L642 HydrophobicContact CD1-CD2 4.26Å; L571-L642 HydrophobicContact CD2-CD1 3.92Å; L571-L642 HydrophobicContact CD2-CD2 4.03Å; L571-L642 HydrophobicContact CG-CD2 4.46Å; K575-L642 HydrophobicContact CD-CD2 4.26Å; K575-L642 HydrophobicContact CG-CD2 4.37Å; F586-L642 HydrophobicContact CB-CD1 4.19Å; V588-L642 HydrophobicContact CG2-CD1 3.69Å; A608-L642 HydrophobicContact CB-CB 4.34Å; A608-L642 HydrophobicContact CB-CD2 3.95Å; A608-L642 HydrophobicContact CB-CG 3.9Å; D609-L642 WeakPolarHBondContact CB-O 3.26Å; D609-L642 PolarHBondContact N-O 3.47Å; D609-L642 PolarHBondContact OD2-N 3.04Å; L642-L644 HydrophobicContact CD1-CD1 4.17Å; L642-L644 HydrophobicContact CD2-CD1 4.12Å; L642-L644 HydrophobicContact CG-CD1 3.83Å
643V96.6Very high90.9Very high0 Ų053.8 Ų53.80%025%0.248CC..EExtended strand (participates in β ladder)trans-127.7131.5-179.4175.30000107.8V585 F586 V587 V588 A610 Y612 L630 Y662V585-V643 HydrophobicContact CG1-CG2 4.34Å; F586-V643 PolarHBondContact O-N 3.01Å; V587-V643 CarbonylContact C-O 3.48Å; V587-V643 WeakPolarHBondContact CA-O 3.43Å; V587-V643 HydrophobicContact CG2-CB 4.46Å; V588-V643 PolarHBondContact N-O 2.82Å; A610-V643 HydrophobicContact CB-CG1 4.33Å; A610-V643 HydrophobicContact CB-CG2 4.42Å; A610-V643 WeakPolarHBondContact O-CA 3.44Å; Y612-V643 HydrophobicContact CD2-CG1 3.95Å; Y612-V643 HydrophobicContact CE2-CG1 3.42Å; Y612-V643 VanDerWaalsContact CE2-CG1 3.42Å; L630-V643 HydrophobicContact CD1-CG2 3.95Å; V643-Y662 HydrophobicContact CG2-CE2 3.89Å
644L97.8Very high91.3Very high0 Ų054.4 Ų54.40%026%0.256CS..EExtended strand (participates in β ladder)trans-106.4149.5174.4-81.678.2000110.9L571 V588 T590 A599 S602 A603 A608 A610 A611 Y612 L642L571-L644 HydrophobicContact CD1-CD1 4.28Å; L571-L644 HydrophobicContact CD1-CD2 4.2Å; L571-L644 HydrophobicContact CD2-CD1 4.25Å; V588-L644 HydrophobicContact CB-CG 4.38Å; V588-L644 CarbonylContact O-C 3.51Å; V588-L644 WeakPolarHBondContact O-CA 3.24Å; T590-L644 HydrophobicContact CG2-CD2 3.98Å; A599-L644 WeakPolarHBondContact O-CD2 3.37Å; S602-L644 WeakPolarHBondContact OG-CD2 3.46Å; A603-L644 HydrophobicContact CB-CB 4.45Å; A603-L644 HydrophobicContact CB-CD1 4.27Å; A603-L644 HydrophobicContact CB-CD2 4.17Å; A608-L644 HydrophobicContact CB-CD1 3.48Å; A608-L644 VanDerWaalsContact CB-CD1 3.48Å; A610-L644 PolarHBondContact O-N 2.93Å; A611-L644 CarbonylContact C-O 3.57Å; A611-L644 VanDerWaalsContact CA-O 3.3Å; A611-L644 WeakPolarHBondContact CA-O 3.48Å; A611-L644 HydrophobicContact CB-CB 4.42Å; Y612-L644 PolarHBondContact N-O 3.33Å; L642-L644 HydrophobicContact CD1-CD1 4.17Å; L642-L644 HydrophobicContact CD2-CD1 4.12Å; L642-L644 HydrophobicContact CG-CD1 3.83Å
645R97.9Very high91.7Very high11 Ų1154.6 Ų54.64%0.04226%0.257CS..EExtended strand (participates in β ladder)trans-141.2127.7174.9-175.9-133.1176.4-134.7-13.5109.3V588 E589 T590 Y612 E647 A649 N650 Y653 S655 I658V588-R645 PolarHBondContact O-N 3.33Å; E589-R645 VanDerWaalsContact CA-O 3.28Å; E589-R645 WeakPolarHBondContact CA-O 3.48Å; E589-R645 IonicContact OE2-CZ 3.4Å; E589-R645 IonicContact OE2-NH1 3.63Å; E589-R645 PolarHBondContact OE2-NH1 2.84Å; T590-R645 PolarHBondContact N-O 3.28Å; Y612-R645 HydrophobicContact CD2-CB 4.5Å; Y612-R645 WeakPolarHBondContact O-CA 3.4Å; R645-E647 PolarHBondContact NH1-O 2.93Å; R645-E647 PolarHBondContact NH2-O 3.25Å; R645-A649 HydrophobicContact CG-CB 4.09Å; R645-N650 PolarHBondContact NH2-O 3.31Å; R645-Y653 PolarHBondContact NE-O 3.18Å; R645-S655 WeakPolarHBondContact CD-OG 2.98Å; R645-I658 HydrophobicContact CG-CD1 4.21Å
646A97.9Very high92.3Very high0 Ų053.8 Ų53.80%025%0.25CC..EExtended strand (participates in β ladder)trans-69.7143.6167.800000110.5A599 Y612 Y648 A649A599-A646 HydrophobicContact CB-CB 4.01Å; Y612-A646 PolarHBondContact O-N 3.03Å; A646-Y648 VanDerWaalsContact C-N 3.26Å; A646-Y648 PolarHBondContact O-N 2.97Å; A646-Y648 VanDerWaalsContact O-N 3.14Å; A646-A649 HydrophobicContact CB-CB 4.22Å; A646-A649 WeakPolarHBondContact O-CB 3.37Å; A646-A649 PolarHBondContact O-N 2.72Å
647E95.8Very high93.1Very high43 Ų4353 Ų5320%0.20124%0.242CC..THydrogen-bonded Turntrans-53.7-36.6-174.265.2-170.7157.900114.4E589 T590 G592 G593 R645E589-E647 HydrophobicContact CG-CB 4.31Å; T590-E647 PolarHBondContact O-N 3.38Å; G592-E647 PolarHBondContact N-OE1 3.09Å; G592-E647 VanDerWaalsContact N-OE1 3.13Å; G593-E647 WeakPolarHBondContact CA-OE1 3.41Å; G593-E647 PolarHBondContact N-OE1 2.94Å; R645-E647 PolarHBondContact NH1-O 2.93Å; R645-E647 PolarHBondContact NH2-O 3.25Å
648Y97.1Very high94.1Very high119 Ų11946.9 Ų46.947%0.46721%0.21SC..THydrogen-bonded Turntrans-109.622.8176.6-52.9-29.6000114G593 Y594 A646 N650G593-Y648 VanDerWaalsContact CA-CD2 3.42Å; G593-Y648 WeakPolarHBondContact O-CB 3.2Å; G593-Y648 PolarHBondContact O-N 3.26Å; Y594-Y648 AromaticContact CD2-CD2 3.93Å; Y594-Y648 HydrophobicContact CD2-CD2 3.93Å; Y594-Y648 HydrophobicContact CE1-CD2 4.49Å; Y594-Y648 HydrophobicContact CE1-CG 4.43Å; Y594-Y648 AromaticContact CE2-CD2 3.88Å; Y594-Y648 HydrophobicContact CE2-CD2 3.88Å; Y594-Y648 HydrophobicContact CG-CD2 4.27Å; A646-Y648 VanDerWaalsContact C-N 3.26Å; A646-Y648 PolarHBondContact O-N 2.97Å; A646-Y648 VanDerWaalsContact O-N 3.14Å; Y648-N650 VanDerWaalsContact C-N 3.25Å; Y648-N650 PolarHBondContact O-N 2.7Å
649A97.2Very high95.2Very high7 Ų747.4 Ų47.46%0.05821%0.21CC..SBendtrans-54.3-42.5178.200000112.7Y612 F618 R645 A646Y612-A649 WeakPolarHBondContact O-CB 3.41Å; F618-A649 HydrophobicContact CE1-CB 3.99Å; F618-A649 HydrophobicContact CZ-CB 4.31Å; R645-A649 HydrophobicContact CG-CB 4.09Å; A646-A649 HydrophobicContact CB-CB 4.22Å; A646-A649 WeakPolarHBondContact O-CB 3.37Å; A646-A649 PolarHBondContact O-N 2.72Å
650N97.2Very high96Very high41 Ų4148.4 Ų48.422%0.21922%0.216CC..  trans-153.8141.7173.4-171.3-68.6000109.5F618 R645 Y648 Y652 Y653F618-N650 HydrophobicContact CE1-CB 3.85Å; F618-N650 HydrophobicContact CE2-CB 4.33Å; F618-N650 HydrophobicContact CZ-CB 3.5Å; F618-N650 VanDerWaalsContact CZ-CB 3.5Å; R645-N650 PolarHBondContact NH2-O 3.31Å; Y648-N650 VanDerWaalsContact C-N 3.25Å; Y648-N650 PolarHBondContact O-N 2.7Å; N650-Y652 PolarHBondContact OD1-N 3.4Å; N650-Y653 HydrophobicContact CB-CD2 4.19Å; N650-Y653 HydrophobicContact CB-CG 4.48Å; N650-Y653 PolarHBondContact OD1-N 3.35Å
651K95.6Very high96.4Very high168 Ų16848.7 Ų48.773%0.7322%0.22SC*.SBendtrans-67.2-35.8-179-176.6176.8179.1-178.80113.4
652Y96.3Very high96.6Very high167 Ų16748.5 Ų48.566%0.65522%0.218SC*.SBendtrans-101.7-36.8-173.4-56.3-66.8000112.2N650 T654N650-Y652 PolarHBondContact OD1-N 3.4Å; Y652-T654 PolarHBondContact O-N 3.42Å
653Y96.5Very high96.6Very high59 Ų5949.7 Ų49.723%0.23123%0.229CC..SBendtrans-83.272.7174.3-49.2-38.6000110.2F618 L623 R645 N650 F657F618-Y653 AromaticContact CD2-CD2 3.99Å; F618-Y653 HydrophobicContact CD2-CD2 3.99Å; F618-Y653 AromaticContact CE2-CD2 3.61Å; F618-Y653 HydrophobicContact CE2-CD2 3.61Å; F618-Y653 HydrophobicContact CE2-CG 4.1Å; F618-Y653 HydrophobicContact CZ-CD2 4.28Å; L623-Y653 HydrophobicContact CD1-CG 4.28Å; R645-Y653 PolarHBondContact NE-O 3.18Å; N650-Y653 HydrophobicContact CB-CD2 4.19Å; N650-Y653 HydrophobicContact CB-CG 4.48Å; N650-Y653 PolarHBondContact OD1-N 3.35Å; Y653-F657 AromaticContact CD1-CD1 3.88Å; Y653-F657 HydrophobicContact CD1-CD1 3.88Å; Y653-F657 AromaticContact CD1-CE1 3.66Å; Y653-F657 HydrophobicContact CD1-CE1 3.66Å; Y653-F657 HydrophobicContact CD1-CZ 4.3Å; Y653-F657 HydrophobicContact CE1-CE1 4.21Å
654T96.4Very high96.6Very high55 Ų5555.2 Ų55.234%0.33726%0.255SS..  trans-73163.1177.165.10000111.3Y652 E656 F657 I658Y652-T654 PolarHBondContact O-N 3.42Å; T654-E656 PolarHBondContact O-N 3.4Å; T654-F657 WeakPolarHBondContact O-CB 3.16Å; T654-F657 PolarHBondContact O-N 2.9Å; T654-F657 VanDerWaalsContact O-N 3.1Å; T654-F657 PolarHBondContact OG1-N 2.96Å; T654-F657 VanDerWaalsContact OG1-N 3.11Å; T654-I658 WeakPolarHBondContact O-CG1 3.26Å; T654-I658 PolarHBondContact O-N 3.2Å
655S96.2Very high96.4Very high3 Ų359.7 Ų59.72%0.02128%0.276CS..Hα-helixtrans-56.8-35.6174-57.30000112.2E589 R645 H659 C674E589-S655 WeakPolarHBondContact CB-OG 3.42Å; E589-S655 WeakPolarHBondContact OE2-CB 3.44Å; E589-S655 PolarHBondContact OE2-OG 3.06Å; R645-S655 WeakPolarHBondContact CD-OG 2.98Å; S655-H659 WeakPolarHBondContact O-CB 2.97Å; S655-H659 PolarHBondContact O-N 3.22Å; S655-C674 VanDerWaalsContact CB-SG 3.59Å
656E96Very high96.1Very high88 Ų8859.2 Ų59.241%0.41127%0.274SS..Hα-helixtrans-68.2-42.7175.5-175.255.8-148.800111.9T654 H659 Q660T654-E656 PolarHBondContact O-N 3.4Å; E656-H659 WeakPolarHBondContact O-CB 3.5Å; E656-H659 PolarHBondContact O-N 3.13Å; E656-H659 IonicContact OE1-ND1 3.46Å; E656-H659 PolarHBondContact OE1-ND1 3.27Å; E656-H659 IonicContact OE2-ND1 3.88Å; E656-H659 PolarHBondContact OE2-ND1 3.01Å; E656-Q660 VanDerWaalsContact O-CG 3.31Å; E656-Q660 WeakPolarHBondContact O-CG 3.36Å; E656-Q660 PolarHBondContact O-N 3.41Å; E656-Q660 PolarHBondContact OE1-NE2 3.07Å
657F96.9Very high95.7Very high72 Ų7265.5 Ų65.532%0.31630%0.303SS..Hα-helixtrans-60.8-48.9175.1175.1-92.9000111.5I620 L623 Y653 T654 H659 Q660 L661I620-F657 HydrophobicContact CD1-CE1 4.28Å; I620-F657 HydrophobicContact CD1-CZ 4.23Å; L623-F657 HydrophobicContact CD1-CE1 4.07Å; Y653-F657 AromaticContact CD1-CD1 3.88Å; Y653-F657 HydrophobicContact CD1-CD1 3.88Å; Y653-F657 AromaticContact CD1-CE1 3.66Å; Y653-F657 HydrophobicContact CD1-CE1 3.66Å; Y653-F657 HydrophobicContact CD1-CZ 4.3Å; Y653-F657 HydrophobicContact CE1-CE1 4.21Å; T654-F657 WeakPolarHBondContact O-CB 3.16Å; T654-F657 PolarHBondContact O-N 2.9Å; T654-F657 VanDerWaalsContact O-N 3.1Å; T654-F657 PolarHBondContact OG1-N 2.96Å; T654-F657 VanDerWaalsContact OG1-N 3.11Å; F657-H659 VanDerWaalsContact C-N 3.31Å; F657-H659 PolarHBondContact O-N 3.17Å; F657-Q660 PolarHBondContact O-N 2.85Å; F657-L661 HydrophobicContact CE1-CD2 4.21Å; F657-L661 WeakPolarHBondContact O-CB 3.18Å; F657-L661 PolarHBondContact O-N 3.15Å
658I97.1Very high95.4Very high0 Ų067.1 Ų67.10%033%0.331CS..Hα-helixtrans-61.4-43.3179-63.4169.3000109.8V587 Y612 L623 R645 T654 Q660 L661 Y662V587-I658 HydrophobicContact CG1-CB 4.42Å; V587-I658 HydrophobicContact CG1-CG2 4.19Å; V587-I658 HydrophobicContact CG2-CG2 3.87Å; Y612-I658 HydrophobicContact CD2-CD1 3.81Å; Y612-I658 HydrophobicContact CE2-CD1 4.14Å; Y612-I658 HydrophobicContact CE2-CG2 4.45Å; L623-I658 HydrophobicContact CD1-CG1 4.42Å; L623-I658 HydrophobicContact CD2-CD1 4.42Å; L623-I658 HydrophobicContact CD2-CG1 4.32Å; R645-I658 HydrophobicContact CG-CD1 4.21Å; T654-I658 WeakPolarHBondContact O-CG1 3.26Å; T654-I658 PolarHBondContact O-N 3.2Å; I658-Q660 PolarHBondContact O-N 2.93Å; I658-L661 PolarHBondContact O-N 3.33Å; I658-Y662 HydrophobicContact CG2-CD1 3.79Å; I658-Y662 HydrophobicContact CG2-CE1 3.67Å; I658-Y662 HydrophobicContact CG2-CG 4.34Å; I658-Y662 VanDerWaalsContact O-CB 3.32Å; I658-Y662 WeakPolarHBondContact O-CB 3.32Å; I658-Y662 WeakPolarHBondContact O-CD1 3.22Å; I658-Y662 PolarHBondContact O-N 2.82Å
659H96.6Very high95Very high33 Ų3362.7 Ų62.715%0.15332%0.315CS..Hα-helixtrans-56.2-50.1174.2160.2-123.3000112.4S655 E656 F657 Y662 A663 C672 C674S655-H659 WeakPolarHBondContact O-CB 2.97Å; S655-H659 PolarHBondContact O-N 3.22Å; E656-H659 WeakPolarHBondContact O-CB 3.5Å; E656-H659 PolarHBondContact O-N 3.13Å; E656-H659 IonicContact OE1-ND1 3.46Å; E656-H659 PolarHBondContact OE1-ND1 3.27Å; E656-H659 IonicContact OE2-ND1 3.88Å; E656-H659 PolarHBondContact OE2-ND1 3.01Å; F657-H659 VanDerWaalsContact C-N 3.31Å; F657-H659 PolarHBondContact O-N 3.17Å; H659-Y662 PolarHBondContact O-N 3.15Å; H659-A663 VanDerWaalsContact O-CB 3.24Å; H659-A663 WeakPolarHBondContact O-CB 3.46Å; H659-A663 PolarHBondContact O-N 3.35Å; H659-C672 PolarHBondContact NE2-O 2.92Å; H659-C674 HydrophobicContact CB-CB 3.92Å
660Q96.9Very high94.8Very high109 Ų10962.9 Ų62.951%0.50932%0.315SS..Hα-helixtrans-64.1-44-180-71.8176.35.700112E656 F657 I658 Y662 A663 Q664E656-Q660 VanDerWaalsContact O-CG 3.31Å; E656-Q660 WeakPolarHBondContact O-CG 3.36Å; E656-Q660 PolarHBondContact O-N 3.41Å; E656-Q660 PolarHBondContact OE1-NE2 3.07Å; F657-Q660 PolarHBondContact O-N 2.85Å; I658-Q660 PolarHBondContact O-N 2.93Å; Q660-Y662 PolarHBondContact O-N 3.42Å; Q660-A663 PolarHBondContact O-N 2.91Å; Q660-Q664 WeakPolarHBondContact O-CB 3.43Å; Q660-Q664 PolarHBondContact O-N 3.2Å
661L96.5Very high94.6Very high36 Ų3663.3 Ų63.319%0.18832%0.317CS..Hα-helixtrans-58-49.9175.3176.965.5000110.7I620 L623 F657 I658 A663 Q664 E665I620-L661 HydrophobicContact CD1-CD2 3.86Å; L623-L661 HydrophobicContact CB-CD2 3.9Å; L623-L661 HydrophobicContact CD1-CD2 3.99Å; F657-L661 HydrophobicContact CE1-CD2 4.21Å; F657-L661 WeakPolarHBondContact O-CB 3.18Å; F657-L661 PolarHBondContact O-N 3.15Å; I658-L661 PolarHBondContact O-N 3.33Å; L661-A663 PolarHBondContact O-N 2.82Å; L661-Q664 PolarHBondContact O-N 3.5Å; L661-E665 HydrophobicContact CD1-CG 3.84Å; L661-E665 HydrophobicContact CG-CG 4.46Å; L661-E665 VanDerWaalsContact O-CB 3.31Å; L661-E665 WeakPolarHBondContact O-CB 3.46Å; L661-E665 WeakPolarHBondContact O-CG 3.24Å; L661-E665 PolarHBondContact O-N 3.19Å
662Y96.3Very high94.5Very high0 Ų055.3 Ų55.30%028%0.282CS..Hα-helixtrans-71.1-32.6-176.5-79.544000111.5V585 Y612 L623 D626 V627 L630 V643 I658 H659 Q660 G666 F670V585-Y662 HydrophobicContact CG1-CD2 4.24Å; Y612-Y662 PolarHBondContact OH-OH 2.87Å; L623-Y662 HydrophobicContact CB-CE1 4.49Å; L623-Y662 PolarHBondContact O-OH 3.19Å; D626-Y662 WeakPolarHBondContact CB-OH 3.16Å; V627-Y662 HydrophobicContact CG2-CD1 3.32Å; V627-Y662 HydrophobicContact CG2-CD2 3.85Å; V627-Y662 HydrophobicContact CG2-CE1 3.19Å; V627-Y662 HydrophobicContact CG2-CE2 3.75Å; V627-Y662 HydrophobicContact CG2-CG 3.64Å; V627-Y662 VanDerWaalsContact CG2-CZ 3.4Å; L630-Y662 HydrophobicContact CD1-CD2 3.9Å; L630-Y662 HydrophobicContact CD1-CE2 3.54Å; V643-Y662 HydrophobicContact CG2-CE2 3.89Å; I658-Y662 HydrophobicContact CG2-CD1 3.79Å; I658-Y662 HydrophobicContact CG2-CE1 3.67Å; I658-Y662 HydrophobicContact CG2-CG 4.34Å; I658-Y662 VanDerWaalsContact O-CB 3.32Å; I658-Y662 WeakPolarHBondContact O-CB 3.32Å; I658-Y662 WeakPolarHBondContact O-CD1 3.22Å; I658-Y662 PolarHBondContact O-N 2.82Å; H659-Y662 PolarHBondContact O-N 3.15Å; Q660-Y662 PolarHBondContact O-N 3.42Å; Y662-G666 VanDerWaalsContact O-CA 3.28Å; Y662-G666 WeakPolarHBondContact O-CA 3.34Å; Y662-G666 PolarHBondContact O-N 3.05Å; Y662-F670 VanDerWaalsContact O-CE2 3.25Å; Y662-F670 WeakPolarHBondContact O-CE2 3.27Å
663A94.9Very high94.4Very high32 Ų3252.4 Ų52.426%0.26427%0.27SS..Hα-helixtrans-65.3-43.7173.600000111.5H659 Q660 L661 Q667 C672H659-A663 VanDerWaalsContact O-CB 3.24Å; H659-A663 WeakPolarHBondContact O-CB 3.46Å; H659-A663 PolarHBondContact O-N 3.35Å; Q660-A663 PolarHBondContact O-N 2.91Å; L661-A663 PolarHBondContact O-N 2.82Å; A663-Q667 PolarHBondContact O-N 3.27Å; A663-C672 HydrophobicContact CB-CB 3.95Å
664Q96.1Very high94.4Very high116 Ų11651.4 Ų51.454%0.54227%0.271SS..Hα-helixtrans-71-50.5179.8-177.25734.500111.6Q660 L661 G666 Q667Q660-Q664 WeakPolarHBondContact O-CB 3.43Å; Q660-Q664 PolarHBondContact O-N 3.2Å; L661-Q664 PolarHBondContact O-N 3.5Å; Q664-G666 VanDerWaalsContact C-N 3.27Å; Q664-G666 PolarHBondContact O-N 3.38Å; Q664-Q667 VanDerWaalsContact O-CB 3.27Å; Q664-Q667 WeakPolarHBondContact O-CB 3.32Å; Q664-Q667 PolarHBondContact O-N 3.4Å
665E94Very high94.3Very high95 Ų9551.4 Ų51.444%0.44427%0.269SS..Hα-helixtrans-74.8-16.8-179.9-65.1-61142.800112.3V627 R631 L661V627-E665 HydrophobicContact CG1-CB 3.65Å; R631-E665 WeakPolarHBondContact CD-O 3.44Å; R631-E665 PolarHBondContact NH1-O 3.39Å; L661-E665 HydrophobicContact CD1-CG 3.84Å; L661-E665 HydrophobicContact CG-CG 4.46Å; L661-E665 VanDerWaalsContact O-CB 3.31Å; L661-E665 WeakPolarHBondContact O-CB 3.46Å; L661-E665 WeakPolarHBondContact O-CG 3.24Å; L661-E665 PolarHBondContact O-N 3.19Å
666G91.4Very high94.3Very high0 Ų055.5 Ų55.50%029%0.294CS..THydrogen-bonded Turntrans-84.9-9173.600000114.1Y662 Q664 G668 I669 F670Y662-G666 VanDerWaalsContact O-CA 3.28Å; Y662-G666 WeakPolarHBondContact O-CA 3.34Å; Y662-G666 PolarHBondContact O-N 3.05Å; Q664-G666 VanDerWaalsContact C-N 3.27Å; Q664-G666 PolarHBondContact O-N 3.38Å; G666-G668 PolarHBondContact O-N 2.94Å; G666-I669 WeakPolarHBondContact O-CA 3.26Å; G666-I669 PolarHBondContact O-N 3.47Å; G666-F670 CarbonylContact C-O 3.6Å; G666-F670 PolarHBondContact O-N 3.06Å; G666-F670 VanDerWaalsContact O-O 3.12Å
667Q89.7Confident94.4Very high133 Ų13351.8 Ų51.862%0.62128%0.277SS*.THydrogen-bonded Turntrans-55.1131.7-167.6-158.3176.525.400112.3A663 Q664 I669A663-Q667 PolarHBondContact O-N 3.27Å; Q664-Q667 VanDerWaalsContact O-CB 3.27Å; Q664-Q667 WeakPolarHBondContact O-CB 3.32Å; Q664-Q667 PolarHBondContact O-N 3.4Å; Q667-I669 VanDerWaalsContact C-N 3.27Å; Q667-I669 PolarHBondContact O-N 2.93Å
668G88Confident94.3Very high76 Ų7649.3 Ų49.378%0.78427%0.272SS*.THydrogen-bonded Turntrans85.7-19.3-174.800000114.9G666G666-G668 PolarHBondContact O-N 2.94Å
669I90.2Very high94.2Very high27 Ų2755.9 Ų55.914%0.13830%0.302CS..THydrogen-bonded Turntrans-108.8-48.9177.9-56.4-174.1000111.1R583 R631 I634 D635 G666 Q667R583-I669 WeakPolarHBondContact CB-O 3.43Å; R583-I669 VanDerWaalsContact CD-O 3.32Å; R583-I669 WeakPolarHBondContact CD-O 3.4Å; R631-I669 HydrophobicContact CB-CD1 4.02Å; R631-I669 HydrophobicContact CG-CD1 4.12Å; I634-I669 HydrophobicContact CB-CG2 4.24Å; I634-I669 HydrophobicContact CG2-CG2 4.03Å; D635-I669 HydrophobicContact CB-CG2 4.49Å; G666-I669 WeakPolarHBondContact O-CA 3.26Å; G666-I669 PolarHBondContact O-N 3.47Å; Q667-I669 VanDerWaalsContact C-N 3.27Å; Q667-I669 PolarHBondContact O-N 2.93Å
670F92.1Very high94.1Very high11 Ų1160.1 Ų60.15%0.04832%0.324CS..  trans-147.3159.9178.963.8-103.4000113R583 V585 V627 L630 R631 I634 Y662 G666R583-F670 HydrophobicContact CB-CB 4.42Å; R583-F670 VanDerWaalsContact O-CA 3.27Å; R583-F670 WeakPolarHBondContact O-CA 3.3Å; R583-F670 WeakPolarHBondContact O-CB 3.37Å; V585-F670 HydrophobicContact CB-CD2 3.93Å; V585-F670 HydrophobicContact CB-CE2 3.98Å; V585-F670 HydrophobicContact CG2-CB 4.36Å; V585-F670 HydrophobicContact CG2-CD1 4.14Å; V585-F670 HydrophobicContact CG2-CD2 3.36Å; V585-F670 HydrophobicContact CG2-CE1 4.23Å; V585-F670 HydrophobicContact CG2-CE2 3.49Å; V585-F670 VanDerWaalsContact CG2-CE2 3.49Å; V585-F670 HydrophobicContact CG2-CG 3.71Å; V585-F670 HydrophobicContact CG2-CZ 3.94Å; V627-F670 HydrophobicContact CG1-CZ 4.49Å; L630-F670 HydrophobicContact CB-CE1 4.13Å; L630-F670 HydrophobicContact CB-CZ 4.41Å; R631-F670 HydrophobicContact CG-CD1 4.46Å; R631-F670 HydrophobicContact CG-CE1 3.72Å; I634-F670 HydrophobicContact CD1-CB 3.78Å; I634-F670 HydrophobicContact CD1-CD1 3.63Å; I634-F670 HydrophobicContact CD1-CE1 4.37Å; I634-F670 HydrophobicContact CD1-CG 3.81Å; I634-F670 HydrophobicContact CG2-CB 4.22Å; Y662-F670 VanDerWaalsContact O-CE2 3.25Å; Y662-F670 WeakPolarHBondContact O-CE2 3.27Å; G666-F670 CarbonylContact C-O 3.6Å; G666-F670 PolarHBondContact O-N 3.06Å; G666-F670 VanDerWaalsContact O-O 3.12Å
671D92.1Very high94.2Very high50 Ų5055.1 Ų55.127%0.26730%0.3SS..EExtended strand (participates in β ladder)trans-98150168.7178.231.4000110.1R583 R584 V585 R673R583-D671 PolarHBondContact O-N 3.45Å; R583-D671 VanDerWaalsContact O-N 3.13Å; R584-D671 CarbonylContact C-O 3.48Å; R584-D671 WeakPolarHBondContact CA-O 3.43Å; R584-D671 IonicContact CZ-OD2 3.56Å; R584-D671 IonicContact NE-OD2 2.8Å; R584-D671 PolarHBondContact NE-OD2 3.16Å; R584-D671 IonicContact NH2-OD2 3.57Å; R584-D671 PolarHBondContact NH2-OD2 3.48Å; V585-D671 PolarHBondContact N-O 2.87Å; D671-R673 IonicContact OD1-CZ 3.56Å; D671-R673 IonicContact OD1-NH1 2.78Å; D671-R673 PolarHBondContact OD1-NH1 3.13Å; D671-R673 IonicContact OD1-NH2 2.74Å; D671-R673 IonicContact OD2-CZ 3.17Å; D671-R673 IonicContact OD2-NE 3.11Å; D671-R673 IonicContact OD2-NH1 3.24Å; D671-R673 PolarHBondContact OD2-NH1 3.05Å; D671-R673 IonicContact OD2-NH2 3.81Å; D671-R673 PolarHBondContact OD2-NH2 3.32Å; D671-R673 VanDerWaalsContact OD2-NH2 3.11Å
672C94.4Very high94.2Very high0 Ų055.3 Ų55.30%030%0.3CS..EExtended strand (participates in β ladder)trans-115.2144.7178.4-1640000111.1V585 H659 A663V585-C672 CarbonylContact O-C 3.06Å; V585-C672 WeakPolarHBondContact O-CA 3.43Å; H659-C672 PolarHBondContact NE2-O 2.92Å; A663-C672 HydrophobicContact CB-CB 3.95Å
673R94.7Very high94.1Very high105 Ų10556.4 Ų56.440%0.39631%0.312SS..EExtended strand (participates in β ladder)trans-136.4146.3174.7-71.3-66.5178.2-93.9-1.5110.7V585 F586 V587 D671V585-R673 PolarHBondContact O-N 3.47Å; F586-R673 CarbonylContact C-O 3.58Å; F586-R673 WeakPolarHBondContact CA-O 3.4Å; F586-R673 HydrophobicContact CD1-CB 3.67Å; F586-R673 HydrophobicContact CE1-CB 3.57Å; F586-R673 HydrophobicContact CE1-CG 4.23Å; F586-R673 HydrophobicContact CZ-CB 4.37Å; V587-R673 PolarHBondContact N-O 3.02Å; D671-R673 IonicContact OD1-CZ 3.56Å; D671-R673 IonicContact OD1-NH1 2.78Å; D671-R673 PolarHBondContact OD1-NH1 3.13Å; D671-R673 IonicContact OD1-NH2 2.74Å; D671-R673 IonicContact OD2-CZ 3.17Å; D671-R673 IonicContact OD2-NE 3.11Å; D671-R673 IonicContact OD2-NH1 3.24Å; D671-R673 PolarHBondContact OD2-NH1 3.05Å; D671-R673 IonicContact OD2-NH2 3.81Å; D671-R673 PolarHBondContact OD2-NH2 3.32Å; D671-R673 VanDerWaalsContact OD2-NH2 3.11Å
674C95Very high94Very high38 Ų3860.6 Ų60.626%0.25733%0.33SS..EExtended strand (participates in β ladder)trans-106.3135.3176.7-172.10000111.1V587 S655 H659V587-C674 CarbonylContact O-C 3.49Å; V587-C674 WeakPolarHBondContact O-CA 3.29Å; S655-C674 VanDerWaalsContact CB-SG 3.59Å; H659-C674 HydrophobicContact CB-CB 3.92Å
675N95.5Very high93.9Very high55 Ų5560.5 Ų60.529%0.29433%0.325SS..EExtended strand (participates in β ladder)trans-131.8113.2176.6-82.369.1000110.1I574 F586 V587 V588 E589I574-N675 HydrophobicContact CD1-CB 4.09Å; F586-N675 WeakPolarHBondContact CD1-OD1 3.2Å; V587-N675 PolarHBondContact O-N 3.01Å; V588-N675 CarbonylContact C-O 3.55Å; V588-N675 WeakPolarHBondContact CA-O 3.48Å; V588-N675 HydrophobicContact CG2-CB 4.42Å; E589-N675 PolarHBondContact N-O 2.86Å
676V96.5Very high94.1Very high90 Ų9056.1 Ų56.155%0.54530%0.304SS..EExtended strand (participates in β ladder)trans-93.5113.1170.9-178.10000108.6E589E589-V676 HydrophobicContact CB-CB 4.39Å; E589-V676 HydrophobicContact CB-CG1 4.33Å; E589-V676 HydrophobicContact CB-CG2 4.08Å
677L96.6Very high94.4Very high9 Ų956.4 Ų56.45%0.04731%0.306CS..  trans-70.8-34.7-174.7-60.7-174000112.5I567 V570 V588 E589 T590 M680 Q681I567-L677 HydrophobicContact CB-CD1 4.23Å; I567-L677 HydrophobicContact CG1-CD1 3.94Å; I567-L677 HydrophobicContact CG2-CD1 3.78Å; V570-L677 HydrophobicContact CB-CD2 4.22Å; V570-L677 HydrophobicContact CG1-CD2 3.46Å; V570-L677 VanDerWaalsContact CG1-CD2 3.46Å; V588-L677 HydrophobicContact CG1-CD1 3.77Å; V588-L677 HydrophobicContact CG1-CD2 3.89Å; V588-L677 HydrophobicContact CG1-CG 3.68Å; E589-L677 PolarHBondContact O-N 3.28Å; T590-L677 HydrophobicContact CG2-CD1 4.48Å; L677-M680 WeakPolarHBondContact O-CE 3.31Å; L677-Q681 HydrophobicContact CB-CG 3.86Å; L677-Q681 HydrophobicContact CD1-CG 4.25Å
678G95.7Very high94.8Very high21 Ų2150.3 Ų50.322%0.21628%0.278CS..G310 helixtrans56.6-144.4179.700000113M591 M680 Q681M591-G678 VanDerWaalsContact SD-O 3.41Å; G678-M680 PolarHBondContact O-N 3.07Å; G678-M680 VanDerWaalsContact O-N 3.14Å; G678-Q681 WeakPolarHBondContact O-CG 3.38Å; G678-Q681 PolarHBondContact O-N 2.92Å; G678-Q681 PolarHBondContact O-NE2 2.92Å
679H96Very high95.2Very high137 Ų13749.6 Ų49.663%0.63425%0.253SS*.G310 helixtrans-69.5-10.3-169.2-6882.6000115.2Q681 Q682H679-Q681 PolarHBondContact O-N 3.24Å; H679-Q681 VanDerWaalsContact O-N 3.08Å; H679-Q682 WeakPolarHBondContact O-CB 3.35Å; H679-Q682 PolarHBondContact O-N 2.71Å
680M94.5Very high95.6Very high123 Ų12348.3 Ų48.361%0.60625%0.247SC*.G310 helixtrans-57.3-24.8172.6-65.6-174.8-69.200111.9L677 G678 Q682 G683L677-M680 WeakPolarHBondContact O-CE 3.31Å; G678-M680 PolarHBondContact O-N 3.07Å; G678-M680 VanDerWaalsContact O-N 3.14Å; M680-Q682 PolarHBondContact O-N 3.01Å; M680-G683 PolarHBondContact O-N 3.42Å
681Q97.5Very high95.8Very high3 Ų348 Ų481%0.01425%0.245CC..G310 helixtrans-65.6-15.3176.6-62.9173.58800113.7I547 A563 I567 T590 M591 L677 G678 H679 G683I547-Q681 HydrophobicContact CD1-CB 4.18Å; A563-Q681 WeakPolarHBondContact CA-O 3.27Å; A563-Q681 WeakPolarHBondContact CB-O 3.4Å; I567-Q681 HydrophobicContact CD1-CG 4.21Å; I567-Q681 HydrophobicContact CG1-CB 4.44Å; I567-Q681 HydrophobicContact CG1-CG 3.72Å; T590-Q681 VanDerWaalsContact CA-OE1 3.31Å; M591-Q681 VanDerWaalsContact N-NE2 3.12Å; L677-Q681 HydrophobicContact CB-CG 3.86Å; L677-Q681 HydrophobicContact CD1-CG 4.25Å; G678-Q681 WeakPolarHBondContact O-CG 3.38Å; G678-Q681 PolarHBondContact O-N 2.92Å; G678-Q681 PolarHBondContact O-NE2 2.92Å; H679-Q681 PolarHBondContact O-N 3.24Å; H679-Q681 VanDerWaalsContact O-N 3.08Å; Q681-G683 PolarHBondContact O-N 3.3Å
682Q96.4Very high96Very high40 Ų4045.9 Ų45.919%0.18724%0.235CC..G310 helixtrans-73.4-17.5175.2-70.2178.5-12.400113.1C430 I547 H679 M680C430-Q682 PolarHBondContact SG-O 2.93Å; I547-Q682 HydrophobicContact CD1-CG 4.23Å; I547-Q682 HydrophobicContact CG2-CG 4.46Å; H679-Q682 WeakPolarHBondContact O-CB 3.35Å; H679-Q682 PolarHBondContact O-N 2.71Å; M680-Q682 PolarHBondContact O-N 3.01Å
683G94.7Very high96Very high23 Ų2346.4 Ų46.424%0.23724%0.238CC..  trans74.2161.4-176.400000113.9M680 Q681M680-G683 PolarHBondContact O-N 3.42Å; Q681-G683 PolarHBondContact O-N 3.3Å
684D92.7Very high96.1Very high121 Ų12141.4 Ų41.465%0.64722%0.219SC*.SBendtrans-94.3-61.8171.3172.130.7000110.1G480G480-D684 WeakPolarHBondContact CA-O 3.14Å; G480-D684 PolarHBondContact N-O 2.81Å
685R94.7Very high96.1Very high114 Ų11439.7 Ų39.743%0.4321%0.207SC..SBendtrans-106.5135.1178-65.1-172.5-176.6171.4-1.4110.8D204D204-R685 WeakPolarHBondContact OD2-CD 3.49Å; D204-R685 IonicContact OD2-NH1 2.76Å
686P97.5Very high96Very high2 Ų239.8 Ų39.81%0.01321%0.205CC..  trans-62.2142.2177.923.4-30.3000111.2C430 V477 G478 D690 R691C430-P686 HydrophobicContact CB-CB 3.71Å; V477-P686 WeakPolarHBondContact O-CG 3.41Å; G478-P686 WeakPolarHBondContact O-CD 3.25Å; P686-D690 HydrophobicContact CB-CB 4.27Å; P686-R691 HydrophobicContact CB-CG 3.75Å; P686-R691 HydrophobicContact CG-CG 3.61Å; P686-R691 PolarHBondContact O-NE 3.41Å; P686-R691 PolarHBondContact O-NH2 2.95Å
687S98.1Very high96Very high7 Ų735.6 Ų35.65%0.04918%0.179CC..  trans-62.4159.4172.373.80000111.6D561 T562 F689 D690 R691D561-S687 WeakPolarHBondContact OD2-CB 3.03Å; D561-S687 PolarHBondContact OD2-OG 2.9Å; T562-S687 PolarHBondContact OG1-N 2.72Å; S687-F689 PolarHBondContact O-N 2.82Å; S687-D690 PolarHBondContact O-N 2.92Å; S687-D690 PolarHBondContact OG-N 2.82Å; S687-R691 VanDerWaalsContact O-CG 3.31Å; S687-R691 WeakPolarHBondContact O-CG 2.99Å; S687-R691 PolarHBondContact O-N 2.85Å
688P97.6Very high96Very high4 Ų435.2 Ų35.23%0.02618%0.177CC..Hα-helixtrans-53.9-38174.5-21.631.5000112.7L196 H197 I200 S692L196-P688 HydrophobicContact CB-CB 3.93Å; L196-P688 HydrophobicContact CB-CG 4.07Å; H197-P688 HydrophobicContact CB-CG 4.35Å; H197-P688 VanDerWaalsContact CE1-CD 3.5Å; H197-P688 WeakPolarHBondContact CE1-CD 3.42Å; H197-P688 WeakPolarHBondContact NE2-CD 3.41Å; I200-P688 HydrophobicContact CB-CG 4.22Å; I200-P688 HydrophobicContact CG1-CB 4.09Å; I200-P688 HydrophobicContact CG1-CG 3.9Å; P688-S692 WeakPolarHBondContact O-CB 3.31Å; P688-S692 PolarHBondContact O-N 3.47Å
689F96.9Very high95.9Very high61 Ų6134.5 Ų34.527%0.26817%0.169SC..Hα-helixtrans-62-52.9176.3-179-97.2000111.5F556 D561 S687 R691 S692 L693F556-F689 HydrophobicContact CB-CE1 4.39Å; F556-F689 HydrophobicContact CB-CZ 4.4Å; F556-F689 HydrophobicContact CD2-CZ 4.45Å; F556-F689 HydrophobicContact CG-CE1 4.48Å; F556-F689 HydrophobicContact CG-CZ 4.23Å; D561-F689 HydrophobicContact CB-CB 4.27Å; D561-F689 HydrophobicContact CB-CD1 3.59Å; D561-F689 HydrophobicContact CB-CE1 4.34Å; D561-F689 HydrophobicContact CB-CG 4.26Å; S687-F689 PolarHBondContact O-N 2.82Å; F689-R691 VanDerWaalsContact C-N 3.32Å; F689-R691 PolarHBondContact O-N 3.25Å; F689-S692 PolarHBondContact O-N 2.92Å; F689-L693 HydrophobicContact CD1-CD2 4.49Å; F689-L693 HydrophobicContact CE1-CB 4.43Å; F689-L693 HydrophobicContact CE1-CD2 3.65Å; F689-L693 HydrophobicContact CZ-CD2 3.9Å; F689-L693 VanDerWaalsContact O-CB 3.25Å; F689-L693 WeakPolarHBondContact O-CB 3.34Å; F689-L693 PolarHBondContact O-N 3.07Å
690D98Very high95.9Very high0 Ų031.1 Ų31.10%015%0.152CC..Hα-helixtrans-64.3-35.4-178.7-80.7-38.9000112.6G559 T562 P686 S687 G694G559-D690 WeakPolarHBondContact CA-OD2 3.48Å; G559-D690 PolarHBondContact N-OD1 2.9Å; G559-D690 PolarHBondContact N-OD2 2.95Å; T562-D690 VanDerWaalsContact CB-OD2 3.26Å; T562-D690 WeakPolarHBondContact CB-OD2 3.41Å; T562-D690 PolarHBondContact N-OD2 3.39Å; T562-D690 PolarHBondContact OG1-OD2 3.48Å; P686-D690 HydrophobicContact CB-CB 4.27Å; S687-D690 PolarHBondContact O-N 2.92Å; S687-D690 PolarHBondContact OG-N 2.82Å; D690-G694 PolarHBondContact O-N 3.39Å
691R97.5Very high96Very high4 Ų425.3 Ų25.32%0.01512%0.124CC..Hα-helixtrans-63.9-47.9173.2-65.4-172.5-157.5-162-0.1111.7I200 D204 A236 V477 P686 S687 F689 T695I200-R691 VanDerWaalsContact CG2-NH1 3.35Å; D204-R691 IonicContact OD1-CZ 3.18Å; D204-R691 IonicContact OD1-NH1 2.93Å; D204-R691 PolarHBondContact OD1-NH1 3.26Å; D204-R691 IonicContact OD1-NH2 2.71Å; D204-R691 IonicContact OD2-CZ 2.76Å; D204-R691 IonicContact OD2-NH1 3.47Å; D204-R691 PolarHBondContact OD2-NH1 3.29Å; D204-R691 IonicContact OD2-NH2 2.84Å; D204-R691 PolarHBondContact OD2-NH2 3.43Å; A236-R691 HydrophobicContact CB-CB 3.86Å; A236-R691 WeakPolarHBondContact O-CD 3.41Å; V477-R691 HydrophobicContact CG1-CB 3.92Å; V477-R691 HydrophobicContact CG1-CG 4.11Å; V477-R691 WeakPolarHBondContact O-CG 3.11Å; P686-R691 HydrophobicContact CB-CG 3.75Å; P686-R691 HydrophobicContact CG-CG 3.61Å; P686-R691 PolarHBondContact O-NE 3.41Å; P686-R691 PolarHBondContact O-NH2 2.95Å; S687-R691 VanDerWaalsContact O-CG 3.31Å; S687-R691 WeakPolarHBondContact O-CG 2.99Å; S687-R691 PolarHBondContact O-N 2.85Å; F689-R691 VanDerWaalsContact C-N 3.32Å; F689-R691 PolarHBondContact O-N 3.25Å; R691-T695 WeakPolarHBondContact O-CB 3.31Å; R691-T695 PolarHBondContact O-N 3.47Å; R691-T695 VanDerWaalsContact O-N 3.08Å; R691-T695 PolarHBondContact O-OG1 3.07Å
692S95.2Very high95.9Very high7 Ų725.1 Ų25.15%0.04912%0.123CC..Hα-helixtrans-68.3-45.2-178.2-172.40000111.5P688 F689 T695 K696P688-S692 WeakPolarHBondContact O-CB 3.31Å; P688-S692 PolarHBondContact O-N 3.47Å; F689-S692 PolarHBondContact O-N 2.92Å; S692-T695 WeakPolarHBondContact O-CB 3.47Å; S692-T695 PolarHBondContact O-N 3.19Å; S692-K696 WeakPolarHBondContact O-CG 3.42Å; S692-K696 PolarHBondContact O-N 3.33Å; S692-K696 VanDerWaalsContact OG-CE 3.31Å; S692-K696 WeakPolarHBondContact OG-CE 3.46Å
693L95.1Very high95.8Very high11 Ų1125.9 Ų25.96%0.05813%0.128CC..Hα-helixtrans-62.8-46.4177.6-174.762.1000110.9F556 L558 F689 T695 K696 F697F556-L693 HydrophobicContact CB-CD2 4.37Å; L558-L693 HydrophobicContact CD2-CB 3.84Å; L558-L693 HydrophobicContact CD2-CD2 3.89Å; L558-L693 HydrophobicContact CD2-CG 3.79Å; F689-L693 HydrophobicContact CD1-CD2 4.49Å; F689-L693 HydrophobicContact CE1-CB 4.43Å; F689-L693 HydrophobicContact CE1-CD2 3.65Å; F689-L693 HydrophobicContact CZ-CD2 3.9Å; F689-L693 VanDerWaalsContact O-CB 3.25Å; F689-L693 WeakPolarHBondContact O-CB 3.34Å; F689-L693 PolarHBondContact O-N 3.07Å; L693-T695 VanDerWaalsContact C-N 3.28Å; L693-T695 PolarHBondContact O-N 3.48Å; L693-K696 PolarHBondContact O-N 2.78Å; L693-K696 VanDerWaalsContact O-N 3.13Å; L693-F697 HydrophobicContact CD1-CD1 4.19Å; L693-F697 HydrophobicContact CD1-CD2 4.18Å; L693-F697 HydrophobicContact CD1-CE1 3.77Å; L693-F697 HydrophobicContact CD1-CE2 3.77Å; L693-F697 HydrophobicContact CD1-CG 4.4Å; L693-F697 HydrophobicContact CD1-CZ 3.55Å; L693-F697 HydrophobicContact CD2-CD2 4.49Å; L693-F697 HydrophobicContact CD2-CE2 3.81Å; L693-F697 HydrophobicContact CD2-CZ 4.17Å; L693-F697 HydrophobicContact CG-CD2 3.89Å; L693-F697 HydrophobicContact CG-CE1 4.49Å; L693-F697 HydrophobicContact CG-CE2 3.6Å; L693-F697 HydrophobicContact CG-CG 4.47Å; L693-F697 HydrophobicContact CG-CZ 3.94Å; L693-F697 WeakPolarHBondContact O-CB 3.41Å; L693-F697 PolarHBondContact O-N 3.44Å
694G96.3Very high95.9Very high0 Ų025.9 Ų25.90%012%0.121CC..Hα-helixtrans-59-42.3177.200000111.8V435 L558 D690 K696 F697 A698V435-G694 VanDerWaalsContact CG2-CA 3.49Å; V435-G694 WeakPolarHBondContact CG2-O 3.26Å; L558-G694 VanDerWaalsContact CD2-N 3.34Å; D690-G694 PolarHBondContact O-N 3.39Å; G694-K696 PolarHBondContact O-N 3.04Å; G694-F697 PolarHBondContact O-N 3.12Å; G694-A698 WeakPolarHBondContact O-CB 3.5Å; G694-A698 PolarHBondContact O-N 2.98Å
695T94.9Very high96.1Very high2 Ų220.1 Ų20.11%0.0129%0.09CC..Hα-helixtrans-63.5-40.8175.9-62.10000112.8M235 T400 L404 R691 S692 L693 A698 S699M235-T695 HydrophobicContact CE-CG2 4.4Å; T400-T695 HydrophobicContact CG2-CG2 4.42Å; L404-T695 HydrophobicContact CD1-CG2 3.13Å; R691-T695 WeakPolarHBondContact O-CB 3.31Å; R691-T695 PolarHBondContact O-N 3.47Å; R691-T695 VanDerWaalsContact O-N 3.08Å; R691-T695 PolarHBondContact O-OG1 3.07Å; S692-T695 WeakPolarHBondContact O-CB 3.47Å; S692-T695 PolarHBondContact O-N 3.19Å; L693-T695 VanDerWaalsContact C-N 3.28Å; L693-T695 PolarHBondContact O-N 3.48Å; T695-A698 WeakPolarHBondContact O-CB 3.39Å; T695-S699 PolarHBondContact O-N 2.9Å
696K94.1Very high96.1Very high56 Ų5616 Ų1624%0.2438%0.076CC..Hα-helixtrans-68.6-47.2176.6-70.2176-156.9-175.60111.5M235 N397 T400 S692 L693 G694 A698 S699 K700M235-K696 HydrophobicContact CE-CG 3.93Å; N397-K696 WeakPolarHBondContact OD1-CE 3.48Å; N397-K696 PolarHBondContact OD1-NZ 3.29Å; T400-K696 HydrophobicContact CG2-CG 4.3Å; S692-K696 WeakPolarHBondContact O-CG 3.42Å; S692-K696 PolarHBondContact O-N 3.33Å; S692-K696 VanDerWaalsContact OG-CE 3.31Å; S692-K696 WeakPolarHBondContact OG-CE 3.46Å; L693-K696 PolarHBondContact O-N 2.78Å; L693-K696 VanDerWaalsContact O-N 3.13Å; G694-K696 PolarHBondContact O-N 3.04Å; K696-A698 VanDerWaalsContact C-N 3.26Å; K696-A698 PolarHBondContact O-N 2.93Å; K696-S699 WeakPolarHBondContact O-CB 3.32Å; K696-S699 PolarHBondContact O-N 3.38Å; K696-S699 VanDerWaalsContact O-N 3.09Å; K696-K700 WeakPolarHBondContact O-CG 3.33Å; K696-K700 PolarHBondContact O-N 3.45Å
697F96.3Very high96Very high3 Ų321.9 Ų21.91%0.01310%0.104CC..Hα-helixtrans-59.7-38.1176.6-75.5-18.3000111.9V543 L558 L693 G694 S699 K700 A701 I730 I732V543-F697 HydrophobicContact CG1-CB 3.98Å; V543-F697 HydrophobicContact CG1-CD2 3.62Å; V543-F697 HydrophobicContact CG1-CE2 4.46Å; V543-F697 HydrophobicContact CG1-CG 4.19Å; V543-F697 HydrophobicContact CG2-CB 4.14Å; L558-F697 HydrophobicContact CD1-CD2 4.38Å; L558-F697 HydrophobicContact CD2-CD2 4.38Å; L558-F697 HydrophobicContact CG-CD2 4.3Å; L693-F697 HydrophobicContact CD1-CD1 4.19Å; L693-F697 HydrophobicContact CD1-CD2 4.18Å; L693-F697 HydrophobicContact CD1-CE1 3.77Å; L693-F697 HydrophobicContact CD1-CE2 3.77Å; L693-F697 HydrophobicContact CD1-CG 4.4Å; L693-F697 HydrophobicContact CD1-CZ 3.55Å; L693-F697 HydrophobicContact CD2-CD2 4.49Å; L693-F697 HydrophobicContact CD2-CE2 3.81Å; L693-F697 HydrophobicContact CD2-CZ 4.17Å; L693-F697 HydrophobicContact CG-CD2 3.89Å; L693-F697 HydrophobicContact CG-CE1 4.49Å; L693-F697 HydrophobicContact CG-CE2 3.6Å; L693-F697 HydrophobicContact CG-CG 4.47Å; L693-F697 HydrophobicContact CG-CZ 3.94Å; L693-F697 WeakPolarHBondContact O-CB 3.41Å; L693-F697 PolarHBondContact O-N 3.44Å; G694-F697 PolarHBondContact O-N 3.12Å; F697-S699 VanDerWaalsContact C-N 3.35Å; F697-S699 PolarHBondContact O-N 2.89Å; F697-K700 PolarHBondContact O-N 3.36Å; F697-A701 WeakPolarHBondContact O-CB 3.39Å; F697-A701 PolarHBondContact O-N 3.05Å; F697-I730 HydrophobicContact CD1-CG2 3.94Å; F697-I730 HydrophobicContact CE1-CG2 4.33Å; F697-I732 HydrophobicContact CE1-CB 4.45Å; F697-I732 HydrophobicContact CZ-CB 4.33Å; F697-I732 HydrophobicContact CZ-CG2 4.19Å
698A96.1Very high95.8Very high0 Ų023.4 Ų23.40%011%0.11CC..Hα-helixtrans-57.5-47.3172.600000112.9V435 F439 G694 T695 K696 K700 A701 I702V435-A698 HydrophobicContact CG1-CB 4.26Å; V435-A698 VanDerWaalsContact O-CB 3.28Å; V435-A698 WeakPolarHBondContact O-CB 3.44Å; F439-A698 HydrophobicContact CB-CB 4.15Å; G694-A698 WeakPolarHBondContact O-CB 3.5Å; G694-A698 PolarHBondContact O-N 2.98Å; T695-A698 WeakPolarHBondContact O-CB 3.39Å; K696-A698 VanDerWaalsContact C-N 3.26Å; K696-A698 PolarHBondContact O-N 2.93Å; A698-K700 VanDerWaalsContact C-N 3.34Å; A698-K700 PolarHBondContact O-N 3.4Å; A698-A701 PolarHBondContact O-N 2.67Å; A698-I702 WeakPolarHBondContact O-CG2 3.36Å; A698-I702 PolarHBondContact O-N 3.21Å
699S94.2Very high95.7Very high6 Ų623.2 Ų23.24%0.04211%0.109CC..Hα-helixtrans-62.8-40.4179-176.20000112.4K403 T695 K696 F697 I702 D703K403-S699 WeakPolarHBondContact CD-OG 3.21Å; K403-S699 PolarHBondContact NZ-O 3.11Å; K403-S699 PolarHBondContact NZ-OG 3.03Å; T695-S699 PolarHBondContact O-N 2.9Å; K696-S699 WeakPolarHBondContact O-CB 3.32Å; K696-S699 PolarHBondContact O-N 3.38Å; K696-S699 VanDerWaalsContact O-N 3.09Å; F697-S699 VanDerWaalsContact C-N 3.35Å; F697-S699 PolarHBondContact O-N 2.89Å; S699-I702 WeakPolarHBondContact O-CG2 3.49Å; S699-D703 PolarHBondContact O-N 3.23Å
700K95.3Very high95.5Very high67 Ų6724.2 Ų24.229%0.29112%0.117SC..Hα-helixtrans-70.7-41.2177.3-64-63.6-178-177.60111.9K696 F697 A698 D703 W704 I730 T737 Y739K696-K700 WeakPolarHBondContact O-CG 3.33Å; K696-K700 PolarHBondContact O-N 3.45Å; F697-K700 PolarHBondContact O-N 3.36Å; A698-K700 VanDerWaalsContact C-N 3.34Å; A698-K700 PolarHBondContact O-N 3.4Å; K700-D703 PolarHBondContact O-N 3.32Å; K700-W704 WeakPolarHBondContact O-CB 3.27Å; K700-W704 PolarHBondContact O-N 3.27Å; K700-I730 HydrophobicContact CB-CG2 4.26Å; K700-T737 HydrophobicContact CG-CG2 4.17Å; K700-Y739 WeakPolarHBondContact CD-OH 3.42Å
701A97.1Very high95.2Very high0 Ų027.8 Ų27.80%015%0.147CC..Hα-helixtrans-62.3-45.917900000112.6F439 L512 V543 F697 A698 L705 I730F439-A701 HydrophobicContact CD2-CB 3.95Å; F439-A701 HydrophobicContact CE2-CB 3.96Å; L512-A701 HydrophobicContact CD1-CB 3.94Å; V543-A701 HydrophobicContact CG2-CB 4.47Å; F697-A701 WeakPolarHBondContact O-CB 3.39Å; F697-A701 PolarHBondContact O-N 3.05Å; A698-A701 PolarHBondContact O-N 2.67Å; A701-L705 WeakPolarHBondContact O-CB 3.48Å; A701-L705 WeakPolarHBondContact O-CG 3.42Å; A701-L705 PolarHBondContact O-N 3.09Å; A701-I730 HydrophobicContact CB-CD1 3.45Å; A701-I730 VanDerWaalsContact CB-CD1 3.45Å
702I95.7Very high95Very high0 Ų030.1 Ų30.10%016%0.16CC..Hα-helixtrans-71.1-34.9179.5-169.463.1000112.1I420 F439 L442 K446 Y448 A698 S699 D706I420-I702 HydrophobicContact CD1-CD1 3.88Å; F439-I702 HydrophobicContact CD2-CB 3.76Å; F439-I702 HydrophobicContact CD2-CD1 4.41Å; F439-I702 HydrophobicContact CE1-CD1 4Å; F439-I702 HydrophobicContact CE2-CB 3.67Å; F439-I702 HydrophobicContact CE2-CD1 3.8Å; F439-I702 HydrophobicContact CE2-CG1 4.31Å; F439-I702 HydrophobicContact CZ-CB 4.36Å; F439-I702 HydrophobicContact CZ-CD1 3.56Å; L442-I702 HydrophobicContact CB-CG2 3.73Å; L442-I702 HydrophobicContact CD1-CG2 3.91Å; L442-I702 HydrophobicContact CG-CG2 4.5Å; K446-I702 HydrophobicContact CD-CG1 3.9Å; Y448-I702 HydrophobicContact CD2-CD1 4.26Å; A698-I702 WeakPolarHBondContact O-CG2 3.36Å; A698-I702 PolarHBondContact O-N 3.21Å; S699-I702 WeakPolarHBondContact O-CG2 3.49Å; I702-D706 WeakPolarHBondContact O-CB 3.46Å; I702-D706 PolarHBondContact O-N 3.34Å
703D94.3Very high94.8Very high55 Ų5532.2 Ų32.229%0.29417%0.17SC..Hα-helixtrans-65.8-44.6175.6-78.8-13.2000111.4K403 K446 S699 K700 D706 E707K403-D703 WeakPolarHBondContact CE-OD1 3.35Å; K403-D703 IonicContact NZ-OD1 2.77Å; K403-D703 PolarHBondContact NZ-OD1 2.97Å; K403-D703 IonicContact NZ-OD2 2.65Å; K403-D703 PolarHBondContact NZ-OD2 3.13Å; K446-D703 WeakPolarHBondContact CE-OD1 3.39Å; K446-D703 IonicContact NZ-OD1 2.78Å; K446-D703 PolarHBondContact NZ-OD1 3.27Å; K446-D703 VanDerWaalsContact NZ-OD1 3.13Å; S699-D703 PolarHBondContact O-N 3.23Å; K700-D703 PolarHBondContact O-N 3.32Å; D703-D706 PolarHBondContact O-N 2.94Å; D703-E707 WeakPolarHBondContact O-CB 3.36Å; D703-E707 PolarHBondContact O-N 3.32Å
704W96.3Very high94.5Very high23 Ų2337.1 Ų37.19%0.08719%0.188CC..Hα-helixtrans-64-45.7177.3-175.992.2000111.5P539 M540 A541 K700 D706 E707 Q708 C726 T728 Y739P539-W704 HydrophobicContact CB-CZ3 4.26Å; M540-W704 WeakPolarHBondContact O-CH2 3.08Å; M540-W704 WeakPolarHBondContact O-CZ3 3.49Å; A541-W704 HydrophobicContact CB-CE3 4.06Å; A541-W704 HydrophobicContact CB-CZ3 4.16Å; K700-W704 WeakPolarHBondContact O-CB 3.27Å; K700-W704 PolarHBondContact O-N 3.27Å; W704-D706 PolarHBondContact O-N 3.36Å; W704-E707 PolarHBondContact O-N 3.4Å; W704-Q708 HydrophobicContact CD2-CG 3.85Å; W704-Q708 HydrophobicContact CE3-CG 3.98Å; W704-Q708 HydrophobicContact CH2-CG 3.79Å; W704-Q708 HydrophobicContact CZ2-CG 3.63Å; W704-Q708 HydrophobicContact CZ3-CG 3.95Å; W704-Q708 VanDerWaalsContact O-CG 3.28Å; W704-Q708 WeakPolarHBondContact O-CG 3.33Å; W704-Q708 PolarHBondContact O-N 3Å; W704-C726 WeakPolarHBondContact CH2-O 3.36Å; W704-T728 HydrophobicContact CD2-CG2 3.67Å; W704-T728 VanDerWaalsContact CE2-CG2 3.46Å; W704-T728 HydrophobicContact CE3-CG2 3.88Å; W704-T728 HydrophobicContact CG-CG2 4.35Å; W704-T728 HydrophobicContact CH2-CG2 3.68Å; W704-T728 HydrophobicContact CZ2-CG2 3.48Å; W704-T728 VanDerWaalsContact CZ2-CG2 3.48Å; W704-T728 HydrophobicContact CZ3-CG2 3.89Å; W704-Y739 HydrophobicContact CB-CD1 4.26Å; W704-Y739 HydrophobicContact CB-CE1 3.74Å; W704-Y739 AromaticContact CD1-CD1 3.5Å; W704-Y739 AromaticContact CD1-CE1 3.75Å; W704-Y739 AromaticContact CG-CD1 3.91Å; W704-Y739 HydrophobicContact CG-CD1 3.91Å; W704-Y739 AromaticContact CG-CE1 3.9Å; W704-Y739 HydrophobicContact CG-CE1 3.9Å
705L96.6Very high93.9Very high0 Ų043.5 Ų43.50%023%0.232CC..Hα-helixtrans-63.1-42.1176.7-78.9172.6000111.6I420 F439 P539 A541 A701 Q708 I709I420-L705 HydrophobicContact CG2-CD1 4.17Å; F439-L705 HydrophobicContact CE2-CD1 3.77Å; F439-L705 HydrophobicContact CZ-CD1 3.56Å; P539-L705 HydrophobicContact CB-CD2 3.74Å; P539-L705 WeakPolarHBondContact O-CD2 3.42Å; A541-L705 HydrophobicContact CB-CD1 4.23Å; A541-L705 HydrophobicContact CB-CD2 4.36Å; A541-L705 HydrophobicContact CB-CG 4.11Å; A701-L705 WeakPolarHBondContact O-CB 3.48Å; A701-L705 WeakPolarHBondContact O-CG 3.42Å; A701-L705 PolarHBondContact O-N 3.09Å; L705-Q708 PolarHBondContact O-N 2.74Å; L705-I709 VanDerWaalsContact O-CB 3.24Å; L705-I709 WeakPolarHBondContact O-CB 3.4Å; L705-I709 WeakPolarHBondContact O-CD1 3.49Å; L705-I709 WeakPolarHBondContact O-CG1 3.4Å; L705-I709 PolarHBondContact O-N 3.41Å
706D94.7Very high93.4Very high27 Ų2748.2 Ų48.214%0.14426%0.257CS..Hα-helixtrans-61-44.4177-177.251.3000111.5K446 Y448 I702 D703 W704 I709 N710K446-D706 HydrophobicContact CD-CB 3.96Å; K446-D706 IonicContact NZ-OD2 2.7Å; K446-D706 PolarHBondContact NZ-OD2 3.31Å; Y448-D706 HydrophobicContact CE2-CB 4.21Å; Y448-D706 WeakPolarHBondContact CE2-OD1 3.4Å; Y448-D706 PolarHBondContact OH-OD1 3.39Å; I702-D706 WeakPolarHBondContact O-CB 3.46Å; I702-D706 PolarHBondContact O-N 3.34Å; D703-D706 PolarHBondContact O-N 2.94Å; W704-D706 PolarHBondContact O-N 3.36Å; D706-I709 PolarHBondContact O-N 2.95Å; D706-N710 VanDerWaalsContact O-CB 3.29Å; D706-N710 WeakPolarHBondContact O-CB 3.23Å; D706-N710 PolarHBondContact O-N 3Å; D706-N710 PolarHBondContact O-ND2 3.28Å; D706-N710 PolarHBondContact OD1-ND2 2.96Å
707E94.9Very high92.9Very high126 Ų12647.9 Ų47.959%0.58926%0.262SS*.Hα-helixtrans-61.8-48.3175.7-175178.1-175.300111.8D703 W704 I709 N710 A711D703-E707 WeakPolarHBondContact O-CB 3.36Å; D703-E707 PolarHBondContact O-N 3.32Å; W704-E707 PolarHBondContact O-N 3.4Å; E707-I709 PolarHBondContact O-N 3.21Å; E707-N710 PolarHBondContact O-N 3.47Å; E707-A711 WeakPolarHBondContact O-CB 3.48Å; E707-A711 PolarHBondContact O-N 2.92Å
708Q95.5Very high92.5Very high39 Ų3950.5 Ų50.518%0.18228%0.279CS..Hα-helixtrans-64.9-39179.3-67.3-59.3-52.600112.5P539 W704 L705 N712 C726P539-Q708 HydrophobicContact CB-CB 3.75Å; P539-Q708 HydrophobicContact CG-CB 3.75Å; W704-Q708 HydrophobicContact CD2-CG 3.85Å; W704-Q708 HydrophobicContact CE3-CG 3.98Å; W704-Q708 HydrophobicContact CH2-CG 3.79Å; W704-Q708 HydrophobicContact CZ2-CG 3.63Å; W704-Q708 HydrophobicContact CZ3-CG 3.95Å; W704-Q708 VanDerWaalsContact O-CG 3.28Å; W704-Q708 WeakPolarHBondContact O-CG 3.33Å; W704-Q708 PolarHBondContact O-N 3Å; L705-Q708 PolarHBondContact O-N 2.74Å; Q708-N712 WeakPolarHBondContact O-CB 3.38Å; Q708-N712 PolarHBondContact O-N 3.16Å; Q708-N712 PolarHBondContact O-ND2 3.38Å; Q708-C726 PolarHBondContact OE1-SG 3.05Å
709I94.8Very high92.4Very high0 Ų051 Ų510%028%0.282CS..Hα-helixtrans-64.7-53.9175.9-74.4167.4000109.4M415 L418 I420 Y448 P539 L705 D706 E707 A711 N712 I713 V719M415-I709 HydrophobicContact SD-CG2 4.32Å; L418-I709 HydrophobicContact CD1-CG2 3.61Å; I420-I709 HydrophobicContact CD1-CD1 3.82Å; I420-I709 HydrophobicContact CG1-CD1 4.08Å; Y448-I709 HydrophobicContact CE1-CD1 4Å; Y448-I709 HydrophobicContact CE1-CG2 4.18Å; P539-I709 HydrophobicContact CG-CG1 4.14Å; L705-I709 VanDerWaalsContact O-CB 3.24Å; L705-I709 WeakPolarHBondContact O-CB 3.4Å; L705-I709 WeakPolarHBondContact O-CD1 3.49Å; L705-I709 WeakPolarHBondContact O-CG1 3.4Å; L705-I709 PolarHBondContact O-N 3.41Å; D706-I709 PolarHBondContact O-N 2.95Å; E707-I709 PolarHBondContact O-N 3.21Å; I709-A711 VanDerWaalsContact C-N 3.27Å; I709-A711 PolarHBondContact O-N 2.92Å; I709-N712 CarbonylContact O-C 3.46Å; I709-N712 PolarHBondContact O-N 3.2Å; I709-I713 HydrophobicContact CG2-CD1 3.91Å; I709-I713 HydrophobicContact CG2-CG1 4.01Å; I709-I713 WeakPolarHBondContact O-CG1 3.3Å; I709-I713 PolarHBondContact O-N 3.32Å; I709-V719 HydrophobicContact CB-CG2 4.46Å; I709-V719 HydrophobicContact CG1-CG1 4.36Å; I709-V719 HydrophobicContact CG1-CG2 4.38Å; I709-V719 HydrophobicContact CG2-CG2 3.79Å
710N92.1Very high92.3Very high82 Ų8254.3 Ų54.344%0.43929%0.294SS..Hα-helixtrans-54-42.7-179.8-86.2-68.1000112.8M415 D706 E707 N712M415-N710 VanDerWaalsContact CE-CG 3.45Å; M415-N710 WeakPolarHBondContact CE-OD1 3.35Å; D706-N710 VanDerWaalsContact O-CB 3.29Å; D706-N710 WeakPolarHBondContact O-CB 3.23Å; D706-N710 PolarHBondContact O-N 3Å; D706-N710 PolarHBondContact O-ND2 3.28Å; D706-N710 PolarHBondContact OD1-ND2 2.96Å; E707-N710 PolarHBondContact O-N 3.47Å; N710-N712 PolarHBondContact O-N 2.95Å
711A92.5Very high92.2Very high76 Ų7651.2 Ų51.263%0.62828%0.28SS*.Hα-helixtrans-68.6-19.2179.800000113.8E707 I709E707-A711 WeakPolarHBondContact O-CB 3.48Å; E707-A711 PolarHBondContact O-N 2.92Å; I709-A711 VanDerWaalsContact C-N 3.27Å; I709-A711 PolarHBondContact O-N 2.92Å
712N93.6Very high91.7Very high52 Ų5255 Ų5528%0.27831%0.305SS..Hα-helixtrans-128.316.2-169.9-63.2-81000114.2Q708 I709 N710 V719 Y720 T721Q708-N712 WeakPolarHBondContact O-CB 3.38Å; Q708-N712 PolarHBondContact O-N 3.16Å; Q708-N712 PolarHBondContact O-ND2 3.38Å; I709-N712 CarbonylContact O-C 3.46Å; I709-N712 PolarHBondContact O-N 3.2Å; N710-N712 PolarHBondContact O-N 2.95Å; N712-V719 HydrophobicContact CB-CG1 4.22Å; N712-Y720 PolarHBondContact O-N 3.32Å; N712-T721 HydrophobicContact CB-CG2 3.59Å; N712-T721 VanDerWaalsContact CG-CG2 3.43Å
713I91Very high91.1Very high52 Ų5256.7 Ų56.727%0.26732%0.322SS..BIsolated β-bridgetrans-67.6130.3170.2-78.3162.9000109.6M415 L418 I709 V719M415-I713 HydrophobicContact CE-CD1 3.51Å; M415-I713 HydrophobicContact SD-CD1 4.1Å; L418-I713 HydrophobicContact CD1-CD1 3.76Å; L418-I713 HydrophobicContact CD1-CG1 4.11Å; I709-I713 HydrophobicContact CG2-CD1 3.91Å; I709-I713 HydrophobicContact CG2-CG1 4.01Å; I709-I713 WeakPolarHBondContact O-CG1 3.3Å; I709-I713 PolarHBondContact O-N 3.32Å; I713-V719 HydrophobicContact CG1-CG2 3.98Å
714R89.1Confident90.7Very high114 Ų11457.8 Ų57.843%0.4333%0.325SS..  trans-91.1166.9173.2-68.8176.8165.4179.5-3.1111.3D716 S717 T718 Y720R714-D716 VanDerWaalsContact CB-OD1 3.26Å; R714-D716 WeakPolarHBondContact CB-OD1 3.4Å; R714-D716 PolarHBondContact O-N 2.82Å; R714-D716 VanDerWaalsContact O-N 3.16Å; R714-S717 PolarHBondContact O-N 3.09Å; R714-T718 WeakPolarHBondContact CB-O 3.39Å; R714-T718 PolarHBondContact N-O 2.84Å; R714-Y720 VanDerWaalsContact NH2-CE1 3.33Å
715S83.8Confident90.3Very high134 Ų13462.2 Ų62.294%0.93735%0.35SS*.THydrogen-bonded Turntrans-60.6-23.4179.550.70000114.2S717S715-S717 VanDerWaalsContact C-N 3.29Å
716D84.4Confident90Very high100 Ų10062.9 Ų62.954%0.53536%0.355SS..THydrogen-bonded Turntrans-87.810.2176.667.5-10.4000113.7R714 T718R714-D716 VanDerWaalsContact CB-OD1 3.26Å; R714-D716 WeakPolarHBondContact CB-OD1 3.4Å; R714-D716 PolarHBondContact O-N 2.82Å; R714-D716 VanDerWaalsContact O-N 3.16Å; D716-T718 VanDerWaalsContact CG-OG1 3.24Å; D716-T718 PolarHBondContact O-N 3.49Å; D716-T718 WeakPolarHBondContact OD1-CB 3.41Å; D716-T718 PolarHBondContact OD1-N 3.34Å; D716-T718 PolarHBondContact OD1-OG1 3.47Å; D716-T718 WeakPolarHBondContact OD2-CG2 3.34Å; D716-T718 PolarHBondContact OD2-OG1 2.93Å
717S82.8Confident90Very high50 Ų5061.6 Ų61.635%0.3535%0.348SS..SBendtrans61.323.4-173.7-50.40000114.1L418 R714 S715L418-S717 WeakPolarHBondContact CD2-O 3.33Å; R714-S717 PolarHBondContact O-N 3.09Å; S715-S717 VanDerWaalsContact C-N 3.29Å
718T88.8Confident90.1Very high58 Ų5855.8 Ų55.836%0.35632%0.321SS..  trans-95.2156.5165.768.90000110.7R714 D716R714-T718 WeakPolarHBondContact CB-O 3.39Å; R714-T718 PolarHBondContact N-O 2.84Å; D716-T718 VanDerWaalsContact CG-OG1 3.24Å; D716-T718 PolarHBondContact O-N 3.49Å; D716-T718 WeakPolarHBondContact OD1-CB 3.41Å; D716-T718 PolarHBondContact OD1-N 3.34Å; D716-T718 PolarHBondContact OD1-OG1 3.47Å; D716-T718 WeakPolarHBondContact OD2-CG2 3.34Å; D716-T718 PolarHBondContact OD2-OG1 2.93Å
719V92.2Very high90.2Very high11 Ų1154 Ų547%0.06731%0.313CS..BIsolated β-bridgetrans-108.1135.6174.8-177.40000107.9L418 P539 I709 N712 I713L418-V719 HydrophobicContact CD1-CG2 4.35Å; P539-V719 HydrophobicContact CG-CG1 4.04Å; I709-V719 HydrophobicContact CB-CG2 4.46Å; I709-V719 HydrophobicContact CG1-CG1 4.36Å; I709-V719 HydrophobicContact CG1-CG2 4.38Å; I709-V719 HydrophobicContact CG2-CG2 3.79Å; N712-V719 HydrophobicContact CB-CG1 4.22Å; I713-V719 HydrophobicContact CG1-CG2 3.98Å
720Y93.6Very high90.3Very high75 Ų7554 Ų5429%0.29431%0.313SS..  trans-140.4121.9177.7-176.5-96.3000112.6P534 C537 N712 R714 P722P534-Y720 HydrophobicContact CB-CE2 4.49Å; C537-Y720 HydrophobicContact CB-CD2 3.59Å; C537-Y720 HydrophobicContact CB-CE2 3.46Å; C537-Y720 VanDerWaalsContact CB-CE2 3.46Å; C537-Y720 HydrophobicContact CB-CG 4.38Å; C537-Y720 CarbonylContact O-C 3.44Å; C537-Y720 VanDerWaalsContact O-CA 3.32Å; C537-Y720 WeakPolarHBondContact O-CA 3.34Å; N712-Y720 PolarHBondContact O-N 3.32Å; R714-Y720 VanDerWaalsContact NH2-CE1 3.33Å; Y720-P722 HydrophobicContact CD1-CG 4.24Å; Y720-P722 HydrophobicContact CE1-CB 3.76Å; Y720-P722 HydrophobicContact CE1-CG 3.64Å
721T92.5Very high90.4Very high1 Ų150 Ų501%0.00629%0.292CS..  trans-136.193.1-178520000109.8R530 C537 I538 P539 N712 C726R530-T721 PolarHBondContact NH1-O 2.97Å; C537-T721 CarbonylContact C-O 3.44Å; C537-T721 WeakPolarHBondContact CA-O 3.46Å; C537-T721 PolarHBondContact O-N 3.2Å; C537-T721 PolarHBondContact O-OG1 3.39Å; I538-T721 WeakPolarHBondContact CA-OG1 3.5Å; P539-T721 WeakPolarHBondContact CD-OG1 2.94Å; P539-T721 HydrophobicContact CG-CG2 3.89Å; N712-T721 HydrophobicContact CB-CG2 3.59Å; N712-T721 VanDerWaalsContact CG-CG2 3.43Å; T721-C726 HydrophobicContact CG2-CB 4Å
722P85.7Confident90.4Very high79 Ų7948 Ų4851%0.51327%0.27SS..  trans-75.1-30.1-175.629.3-32.2000112.1Y720Y720-P722 HydrophobicContact CD1-CG 4.24Å; Y720-P722 HydrophobicContact CE1-CB 3.76Å; Y720-P722 HydrophobicContact CE1-CG 3.64Å
723G84.9Confident90.3Very high36 Ų3647.9 Ų47.937%0.37127%0.271SS..SBendtrans-74.3141.9-176.100000113.2R530 L725 C726R530-G723 PolarHBondContact NH1-O 3.42Å; G723-L725 PolarHBondContact O-N 3.36Å; G723-L725 VanDerWaalsContact O-N 3.13Å; G723-C726 PolarHBondContact O-N 2.89Å
724H85.2Confident90Very high78 Ų7849.4 Ų49.436%0.36127%0.273SS..G310 helixtrans-64.3-13.417668.188.8000113.5V527 C726 C727 N741 M743V527-H724 HydrophobicContact CG1-CB 3.78Å; H724-C726 PolarHBondContact O-N 3.11Å; H724-C727 PolarHBondContact O-N 2.95Å; H724-N741 PolarHBondContact ND1-ND2 3.38Å; H724-N741 PolarHBondContact ND1-OD1 3.13Å; H724-N741 PolarHBondContact O-ND2 3.25Å; H724-M743 HydrophobicContact CB-CG 3.97Å
725L87Confident89.6Confident116 Ų11649.3 Ų49.361%0.60727%0.273SS*.G310 helixtrans-61.1-24174.5-65177.9000113G723 C727 N741G723-L725 PolarHBondContact O-N 3.36Å; G723-L725 VanDerWaalsContact O-N 3.13Å; L725-C727 PolarHBondContact O-N 3.14Å; L725-N741 WeakPolarHBondContact CA-ND2 3.4Å
726C90.6Very high89.7Confident15 Ų1549 Ų4910%0.10126%0.257CS..G310 helixtrans-87.423.9173.3-53.90000112.6P539 M540 W704 Q708 T721 G723 H724P539-C726 WeakPolarHBondContact CA-O 3.4Å; M540-C726 PolarHBondContact N-O 2.75Å; W704-C726 WeakPolarHBondContact CH2-O 3.36Å; Q708-C726 PolarHBondContact OE1-SG 3.05Å; T721-C726 HydrophobicContact CG2-CB 4Å; G723-C726 PolarHBondContact O-N 2.89Å; H724-C726 PolarHBondContact O-N 3.11Å
727C95.5Very high90Very high0 Ų046.9 Ų46.90%025%0.247CC..EExtended strand (participates in β ladder)trans-128.1112.4168.1-74.80000110.1M523 V527 R530 M540 H724 L725 I742M523-C727 HydrophobicContact CE-CB 4.15Å; V527-C727 HydrophobicContact CG2-CB 3.66Å; V527-C727 WeakPolarHBondContact CG2-SG 3.44Å; R530-C727 VanDerWaalsContact CZ-SG 3.51Å; R530-C727 PolarHBondContact NH2-SG 2.98Å; M540-C727 VanDerWaalsContact O-CA 3.31Å; M540-C727 WeakPolarHBondContact O-CA 3.3Å; H724-C727 PolarHBondContact O-N 2.95Å; L725-C727 PolarHBondContact O-N 3.14Å; C727-I742 HydrophobicContact CB-CB 4.5Å; C727-I742 HydrophobicContact CB-CG1 4.3Å; C727-I742 PolarHBondContact O-N 3.28Å
728T96.8Very high90.5Very high4 Ų445.9 Ų45.93%0.02524%0.239CC..EExtended strand (participates in β ladder)trans-127.8149.2-174.5-164.40000113.4M540 A541 M542 W704 I730 Y739 S740M540-T728 PolarHBondContact O-N 3.38Å; A541-T728 CarbonylContact C-O 3.49Å; A541-T728 WeakPolarHBondContact CA-O 3.22Å; A541-T728 HydrophobicContact CB-CG2 4.36Å; M542-T728 PolarHBondContact N-O 2.93Å; W704-T728 HydrophobicContact CD2-CG2 3.67Å; W704-T728 VanDerWaalsContact CE2-CG2 3.46Å; W704-T728 HydrophobicContact CE3-CG2 3.88Å; W704-T728 HydrophobicContact CG-CG2 4.35Å; W704-T728 HydrophobicContact CH2-CG2 3.68Å; W704-T728 HydrophobicContact CZ2-CG2 3.48Å; W704-T728 VanDerWaalsContact CZ2-CG2 3.48Å; W704-T728 HydrophobicContact CZ3-CG2 3.89Å; T728-I730 HydrophobicContact CG2-CG1 4.18Å; T728-Y739 HydrophobicContact CG2-CD1 4.24Å; T728-Y739 VanDerWaalsContact OG1-CA 3.32Å; T728-Y739 WeakPolarHBondContact OG1-CA 3.25Å; T728-Y739 WeakPolarHBondContact OG1-CB 3.22Å; T728-S740 CarbonylContact C-O 3.6Å; T728-S740 VanDerWaalsContact CA-O 3.24Å; T728-S740 WeakPolarHBondContact CA-O 3.5Å; T728-S740 PolarHBondContact OG1-N 2.69Å; T728-S740 PolarHBondContact OG1-O 3.27Å
729L97.4Very high90.8Very high0 Ų047.7 Ų47.70%024%0.24CC..EExtended strand (participates in β ladder)trans-98.1127.5161.8-176.3146.5000109.2M542 P544 V551 P552 S740 I742 L745M542-L729 HydrophobicContact CE-CD1 4.17Å; M542-L729 HydrophobicContact CG-CD1 4.49Å; M542-L729 HydrophobicContact SD-CD1 3.92Å; P544-L729 HydrophobicContact CG-CD2 4.35Å; V551-L729 HydrophobicContact CG1-CD1 3.59Å; P552-L729 WeakPolarHBondContact O-CD1 3.47Å; L729-S740 PolarHBondContact N-O 2.78Å; L729-S740 PolarHBondContact O-N 3.19Å; L729-I742 HydrophobicContact CB-CD1 3.78Å; L729-L745 HydrophobicContact CB-CD1 4.01Å; L729-L745 HydrophobicContact CD1-CD1 4.22Å
730I97.3Very high90.9Very high0 Ų048.4 Ų48.40%025%0.246CC..EExtended strand (participates in β ladder)trans-94.3106.7178.3-57.8173.7000107.9A541 M542 P544 F697 K700 A701 T728 T737 T738 Y739A541-I730 HydrophobicContact CB-CD1 3.97Å; M542-I730 PolarHBondContact O-N 3.06Å; P544-I730 WeakPolarHBondContact CD-O 3.48Å; F697-I730 HydrophobicContact CD1-CG2 3.94Å; F697-I730 HydrophobicContact CE1-CG2 4.33Å; K700-I730 HydrophobicContact CB-CG2 4.26Å; A701-I730 HydrophobicContact CB-CD1 3.45Å; A701-I730 VanDerWaalsContact CB-CD1 3.45Å; T728-I730 HydrophobicContact CG2-CG1 4.18Å; I730-T737 HydrophobicContact CG2-CG2 4.16Å; I730-T738 WeakPolarHBondContact CA-O 3.5Å; I730-Y739 HydrophobicContact CD1-CD1 4.49Å; I730-Y739 HydrophobicContact CD1-CE1 4.21Å; I730-Y739 HydrophobicContact CG1-CD1 3.91Å; I730-Y739 HydrophobicContact CG1-CE1 4.03Å; I730-Y739 HydrophobicContact CG2-CE1 4.47Å
731G94.9Very high91Very high0 Ų045.4 Ų45.40%024%0.235CC..EExtended strand (participates in β ladder)trans-118.8178.6-177.800000112.7T554 T737 T738T554-G731 WeakPolarHBondContact OG1-CA 3.42Å; G731-T737 WeakPolarHBondContact O-CA 3.29Å; G731-T738 WeakPolarHBondContact CA-OG1 3.43Å; G731-T738 PolarHBondContact N-O 3.02Å; G731-T738 PolarHBondContact O-N 3.26Å; G731-T738 PolarHBondContact O-OG1 2.98Å
732I92.5Very high91.1Very high33 Ų3345.3 Ų45.317%0.16923%0.234CC..EExtended strand (participates in β ladder)trans-124.5124.7163.9-173.9168.5000107.9T554 D555 F556 F697 Q736T554-I732 PolarHBondContact OG1-N 2.84Å; T554-I732 PolarHBondContact OG1-O 2.93Å; D555-I732 WeakPolarHBondContact CB-O 3Å; D555-I732 PolarHBondContact N-O 3.41Å; F556-I732 HydrophobicContact CB-CG2 4.06Å; F556-I732 HydrophobicContact CD2-CG2 3.92Å; F697-I732 HydrophobicContact CE1-CB 4.45Å; F697-I732 HydrophobicContact CZ-CB 4.33Å; F697-I732 HydrophobicContact CZ-CG2 4.19Å; I732-Q736 WeakPolarHBondContact CA-O 3.42Å
733V90Very high91.5Very high49 Ų4943.7 Ų43.730%0.29722%0.221SC..EExtended strand (participates in β ladder)trans-120.8115.8172.7179.80000107.2R735 Q736 T738V733-R735 PolarHBondContact O-N 3.16Å; V733-Q736 PolarHBondContact N-O 3.03Å; V733-Q736 PolarHBondContact O-N 3.29Å; V733-T738 HydrophobicContact CB-CG2 3.89Å; V733-T738 HydrophobicContact CG2-CG2 3.79Å
734R84.4Confident92Very high84 Ų8447.5 Ų47.532%0.31723%0.228SC..THydrogen-bonded Turntrans55.2-99.7-167.3-54.1175.1-166.317212.5111.4G356 D555G356-R734 WeakPolarHBondContact CA-O 3.44Å; D555-R734 PolarHBondContact OD2-N 2.78Å
735R81.3Confident92.4Very high112 Ų11244.5 Ų44.542%0.42322%0.215SC..THydrogen-bonded Turntrans-109.1-15.8179.777.9-171.8-167.2168.36113.3D355 V733D355-R735 WeakPolarHBondContact OD1-CD 3.45Å; D355-R735 IonicContact OD1-CZ 3.51Å; D355-R735 IonicContact OD1-NE 3.35Å; D355-R735 IonicContact OD1-NH1 3.92Å; D355-R735 PolarHBondContact OD1-NH1 3.11Å; D355-R735 VanDerWaalsContact OD1-NH1 3.07Å; D355-R735 IonicContact OD2-NH1 3.91Å; D355-R735 PolarHBondContact OD2-NH1 3.06Å; V733-R735 PolarHBondContact O-N 3.16Å
736Q86.1Confident92.8Very high128 Ų12843.6 Ų43.660%0.59820%0.204SC*.EExtended strand (participates in β ladder)trans-93.6130.6-170.4-69.2-175.3-11.700110I732 V733 T738I732-Q736 WeakPolarHBondContact CA-O 3.42Å; V733-Q736 PolarHBondContact N-O 3.03Å; V733-Q736 PolarHBondContact O-N 3.29Å; Q736-T738 PolarHBondContact O-N 2.88Å
737T90.2Very high93Very high55 Ų5550 Ų5034%0.33723%0.232SC..EExtended strand (participates in β ladder)trans-66.4125162.6-54.60000108.3K700 I730 G731 Y739K700-T737 HydrophobicContact CG-CG2 4.17Å; I730-T737 HydrophobicContact CG2-CG2 4.16Å; G731-T737 WeakPolarHBondContact O-CA 3.29Å; T737-Y739 HydrophobicContact CG2-CE2 4.22Å
738T93.3Very high92.8Very high29 Ų2954.6 Ų54.618%0.17825%0.253CS..EExtended strand (participates in β ladder)trans-107.6142.2-18050.70000110.2G553 I730 G731 V733 Q736G553-T738 PolarHBondContact O-OG1 2.99Å; I730-T738 WeakPolarHBondContact CA-O 3.5Å; G731-T738 WeakPolarHBondContact CA-OG1 3.43Å; G731-T738 PolarHBondContact N-O 3.02Å; G731-T738 PolarHBondContact O-N 3.26Å; G731-T738 PolarHBondContact O-OG1 2.98Å; V733-T738 HydrophobicContact CB-CG2 3.89Å; V733-T738 HydrophobicContact CG2-CG2 3.79Å; Q736-T738 PolarHBondContact O-N 2.88Å
739Y95.6Very high92.8Very high96 Ų9654.8 Ų54.838%0.37625%0.254SS..EExtended strand (participates in β ladder)trans-116.284.1170.7-61.4-90.3000107K700 W704 T728 I730 T737K700-Y739 WeakPolarHBondContact CD-OH 3.42Å; W704-Y739 HydrophobicContact CB-CD1 4.26Å; W704-Y739 HydrophobicContact CB-CE1 3.74Å; W704-Y739 AromaticContact CD1-CD1 3.5Å; W704-Y739 AromaticContact CD1-CE1 3.75Å; W704-Y739 AromaticContact CG-CD1 3.91Å; W704-Y739 HydrophobicContact CG-CD1 3.91Å; W704-Y739 AromaticContact CG-CE1 3.9Å; W704-Y739 HydrophobicContact CG-CE1 3.9Å; T728-Y739 HydrophobicContact CG2-CD1 4.24Å; T728-Y739 VanDerWaalsContact OG1-CA 3.32Å; T728-Y739 WeakPolarHBondContact OG1-CA 3.25Å; T728-Y739 WeakPolarHBondContact OG1-CB 3.22Å; I730-Y739 HydrophobicContact CD1-CD1 4.49Å; I730-Y739 HydrophobicContact CD1-CE1 4.21Å; I730-Y739 HydrophobicContact CG1-CD1 3.91Å; I730-Y739 HydrophobicContact CG1-CE1 4.03Å; I730-Y739 HydrophobicContact CG2-CE1 4.47Å; T737-Y739 HydrophobicContact CG2-CE2 4.22Å
740S94.9Very high92.8Very high27 Ų2757 Ų5719%0.18927%0.266CS..EExtended strand (participates in β ladder)trans-84.5137.9-173.4-60.10000110T728 L729 I742T728-S740 CarbonylContact C-O 3.6Å; T728-S740 VanDerWaalsContact CA-O 3.24Å; T728-S740 WeakPolarHBondContact CA-O 3.5Å; T728-S740 PolarHBondContact OG1-N 2.69Å; T728-S740 PolarHBondContact OG1-O 3.27Å; L729-S740 PolarHBondContact N-O 2.78Å; L729-S740 PolarHBondContact O-N 3.19Å; S740-I742 PolarHBondContact O-N 2.97Å
741N95.2Very high92.7Very high11 Ų1160.4 Ų60.46%0.05928%0.281CS..EExtended strand (participates in β ladder)trans-70.2129.7174.4-171.9-85.3000110.4H724 L725 M743 E744 L745H724-N741 PolarHBondContact ND1-ND2 3.38Å; H724-N741 PolarHBondContact ND1-OD1 3.13Å; H724-N741 PolarHBondContact O-ND2 3.25Å; L725-N741 WeakPolarHBondContact CA-ND2 3.4Å; N741-M743 VanDerWaalsContact C-N 3.27Å; N741-M743 PolarHBondContact O-N 3.45Å; N741-M743 WeakPolarHBondContact OD1-CB 3.5Å; N741-M743 PolarHBondContact OD1-N 3.23Å; N741-E744 HydrophobicContact CB-CB 4.01Å; N741-E744 HydrophobicContact CB-CG 3.79Å; N741-E744 PolarHBondContact O-N 3.02Å; N741-E744 PolarHBondContact OD1-N 3.17Å; N741-L745 WeakPolarHBondContact O-CG 3.46Å; N741-L745 PolarHBondContact O-N 3Å; N741-L745 VanDerWaalsContact O-N 3.14Å
742I94.6Very high92.7Very high0 Ų066 Ų660%032%0.315CS..THydrogen-bonded Turntrans-58-39.6-177.4-68.6-71.7000112.3Y520 M523 I524 M542 C727 L729 S740Y520-I742 HydrophobicContact CD2-CD1 3.92Å; Y520-I742 HydrophobicContact CD2-CG2 4.32Å; Y520-I742 HydrophobicContact CE2-CD1 4.07Å; Y520-I742 HydrophobicContact CE2-CG2 3.88Å; Y520-I742 WeakPolarHBondContact CE2-O 3.42Å; Y520-I742 PolarHBondContact OH-O 2.92Å; M523-I742 HydrophobicContact CB-CD1 4.02Å; M523-I742 HydrophobicContact CB-CG1 4.17Å; M523-I742 HydrophobicContact CB-CG2 3.86Å; M523-I742 HydrophobicContact CE-CD1 4.09Å; M523-I742 HydrophobicContact CE-CG1 3.75Å; M523-I742 HydrophobicContact CG-CD1 4.23Å; I524-I742 HydrophobicContact CG1-CG2 3.68Å; M542-I742 HydrophobicContact CB-CD1 4.34Å; M542-I742 HydrophobicContact SD-CD1 4.33Å; C727-I742 HydrophobicContact CB-CB 4.5Å; C727-I742 HydrophobicContact CB-CG1 4.3Å; C727-I742 PolarHBondContact O-N 3.28Å; L729-I742 HydrophobicContact CB-CD1 3.78Å; S740-I742 PolarHBondContact O-N 2.97Å
743M94.9Very high92.9Very high45 Ų4566.9 Ų66.922%0.22232%0.318CS..THydrogen-bonded Turntrans-76.3-35.6-176.9-62.3-62-77.500112I524 V527 E528 H724 N741 L745 R746I524-M743 HydrophobicContact CG2-SD 4.19Å; V527-M743 HydrophobicContact CB-SD 4.19Å; V527-M743 HydrophobicContact CG1-CE 4.4Å; V527-M743 HydrophobicContact CG1-CG 3.81Å; V527-M743 HydrophobicContact CG1-SD 3.82Å; E528-M743 HydrophobicContact CG-CE 4.35Å; H724-M743 HydrophobicContact CB-CG 3.97Å; N741-M743 VanDerWaalsContact C-N 3.27Å; N741-M743 PolarHBondContact O-N 3.45Å; N741-M743 WeakPolarHBondContact OD1-CB 3.5Å; N741-M743 PolarHBondContact OD1-N 3.23Å; M743-L745 VanDerWaalsContact C-N 3.31Å; M743-L745 PolarHBondContact O-N 3.4Å; M743-R746 VanDerWaalsContact O-CB 3.29Å; M743-R746 WeakPolarHBondContact O-CB 3.26Å; M743-R746 VanDerWaalsContact O-CG 3.3Å; M743-R746 WeakPolarHBondContact O-CG 3.45Å; M743-R746 PolarHBondContact O-N 2.75Å
744E94.4Very high93.2Very high115 Ų11567.5 Ų67.554%0.53732%0.315SS..G310 helixtrans-65.8-35175.3-65.8175.4-178.800111.5N741 R746 E747N741-E744 HydrophobicContact CB-CB 4.01Å; N741-E744 HydrophobicContact CB-CG 3.79Å; N741-E744 PolarHBondContact O-N 3.02Å; N741-E744 PolarHBondContact OD1-N 3.17Å; E744-R746 PolarHBondContact O-N 2.86Å; E744-R746 VanDerWaalsContact O-N 3.08Å; E744-E747 PolarHBondContact O-N 2.82Å
745L94.5Very high93.8Very high15 Ų1564 Ų648%0.07930%0.303CS..G310 helixtrans-61.4-18.2176.6-71.7176.1000113.6Y520 P552 L729 N741 M743 E747 H748 T749Y520-L745 HydrophobicContact CE2-CB 4.09Å; Y520-L745 HydrophobicContact CE2-CD1 4.3Å; Y520-L745 VanDerWaalsContact OH-C 3.25Å; Y520-L745 WeakPolarHBondContact OH-CB 3.35Å; P552-L745 HydrophobicContact CB-CD2 4.47Å; P552-L745 HydrophobicContact CG-CB 4.48Å; L729-L745 HydrophobicContact CB-CD1 4.01Å; L729-L745 HydrophobicContact CD1-CD1 4.22Å; N741-L745 WeakPolarHBondContact O-CG 3.46Å; N741-L745 PolarHBondContact O-N 3Å; N741-L745 VanDerWaalsContact O-N 3.14Å; M743-L745 VanDerWaalsContact C-N 3.31Å; M743-L745 PolarHBondContact O-N 3.4Å; L745-E747 PolarHBondContact O-N 3.37Å; L745-H748 CarbonylContact O-C 3.54Å; L745-H748 PolarHBondContact O-N 2.96Å; L745-T749 PolarHBondContact O-N 2.95Å; L745-T749 PolarHBondContact O-OG1 3.35Å
746R94.9Very high94.4Very high98 Ų9859.4 Ų59.437%0.3729%0.288SS..G310 helixtrans-59.5-35.1177.9-65.5178.367.3162.64.2111.7Y520 I524 E528 M743 E744 H748 T749 F751Y520-R746 PolarHBondContact OH-N 3.48Å; Y520-R746 VanDerWaalsContact OH-N 3.11Å; I524-R746 HydrophobicContact CD1-CG 3.98Å; E528-R746 IonicContact OE1-CZ 3.74Å; E528-R746 IonicContact OE1-NH1 3.07Å; E528-R746 PolarHBondContact OE1-NH1 3.29Å; E528-R746 IonicContact OE1-NH2 2.93Å; M743-R746 VanDerWaalsContact O-CB 3.29Å; M743-R746 WeakPolarHBondContact O-CB 3.26Å; M743-R746 VanDerWaalsContact O-CG 3.3Å; M743-R746 WeakPolarHBondContact O-CG 3.45Å; M743-R746 PolarHBondContact O-N 2.75Å; E744-R746 PolarHBondContact O-N 2.86Å; E744-R746 VanDerWaalsContact O-N 3.08Å; R746-H748 PolarHBondContact O-N 3.39Å; R746-T749 PolarHBondContact O-N 3.47Å; R746-F751 HydrophobicContact CB-CE2 4.2Å; R746-F751 HydrophobicContact CB-CZ 4.32Å; R746-F751 HydrophobicContact CG-CE2 4.37Å; R746-F751 HydrophobicContact CG-CZ 4.02Å
747E93.6Very high94.5Very high149 Ų14959.6 Ų59.670%0.69629%0.286SS*.G310 helixtrans-66.1-26.3179.1-61.8-170.6171.500112.2E744 L745 K757E744-E747 PolarHBondContact O-N 2.82Å; L745-E747 PolarHBondContact O-N 3.37Å; E747-K757 WeakPolarHBondContact O-CE 3.16Å; E747-K757 PolarHBondContact O-NZ 3.14Å
748H92.4Very high94.4Very high97 Ų9764.9 Ų64.945%0.44931%0.307SS..G310 helixtrans-99.810.8-179.5-61.6-75.8000113.5L745 R746 K757L745-H748 CarbonylContact O-C 3.54Å; L745-H748 PolarHBondContact O-N 2.96Å; R746-H748 PolarHBondContact O-N 3.39Å; H748-K757 WeakPolarHBondContact O-CG 3.46Å; H748-K757 PolarHBondContact O-N 3.17Å
749T96.4Very high94.1Very high7 Ų764.8 Ų64.84%0.04331%0.305CS..EExtended strand (participates in β ladder)trans-115.8135.5-173.9-56.30000112F517 Y520 P552 L745 R746 F751 K757F517-T749 HydrophobicContact CE2-CG2 3.57Å; F517-T749 HydrophobicContact CZ-CG2 3.43Å; F517-T749 VanDerWaalsContact CZ-CG2 3.43Å; Y520-T749 HydrophobicContact CE1-CG2 4.07Å; P552-T749 HydrophobicContact CG-CG2 4.49Å; P552-T749 WeakPolarHBondContact CG-OG1 3.46Å; L745-T749 PolarHBondContact O-N 2.95Å; L745-T749 PolarHBondContact O-OG1 3.35Å; R746-T749 PolarHBondContact O-N 3.47Å; T749-F751 HydrophobicContact CG2-CD1 4.25Å; T749-F751 HydrophobicContact CG2-CD2 3.98Å; T749-F751 HydrophobicContact CG2-CE1 4.09Å; T749-F751 HydrophobicContact CG2-CE2 3.81Å; T749-F751 HydrophobicContact CG2-CG 4.19Å; T749-F751 HydrophobicContact CG2-CZ 3.85Å; T749-K757 WeakPolarHBondContact O-CE 3.39Å
750D96.4Very high93.9Very high47 Ų4762.7 Ų62.725%0.25130%0.296SS..EExtended strand (participates in β ladder)trans-94.5102.7161.4-178.8-11.8000109V752 H753 R754 L755D750-V752 VanDerWaalsContact C-N 3.33Å; D750-V752 WeakPolarHBondContact OD1-CB 3.28Å; D750-V752 PolarHBondContact OD1-N 2.92Å; D750-H753 PolarHBondContact OD1-N 3.06Å; D750-H753 VanDerWaalsContact OD1-N 3.13Å; D750-H753 IonicContact OD1-ND1 2.56Å; D750-H753 IonicContact OD2-CE1 3.72Å; D750-H753 IonicContact OD2-CG 2.86Å; D750-H753 IonicContact OD2-ND1 2.81Å; D750-H753 PolarHBondContact OD2-ND1 2.62Å; D750-R754 CarbonylContact O-C 3.45Å; D750-R754 WeakPolarHBondContact O-CA 3.49Å; D750-R754 PolarHBondContact O-N 3.13Å; D750-L755 HydrophobicContact CB-CB 4.45Å; D750-L755 PolarHBondContact N-O 2.96Å; D750-L755 PolarHBondContact O-N 3.41Å
751F96Very high93.8Very high72 Ų7261.4 Ų61.432%0.31629%0.287SS..THydrogen-bonded Turntrans-73.7-22.3179.1-72.2-84.9000113.6F517 Y520 I524 R746 T749F517-F751 AromaticContact CE1-CD1 3.99Å; F517-F751 HydrophobicContact CE1-CD1 3.99Å; F517-F751 HydrophobicContact CE1-CE1 4.4Å; F517-F751 AromaticContact CZ-CD1 3.95Å; F517-F751 HydrophobicContact CZ-CD1 3.95Å; F517-F751 HydrophobicContact CZ-CE1 4.27Å; Y520-F751 HydrophobicContact CD1-CE1 4.4Å; Y520-F751 AromaticContact CE1-CE1 3.88Å; Y520-F751 HydrophobicContact CE1-CE1 3.88Å; Y520-F751 AromaticContact CE1-CZ 3.83Å; Y520-F751 HydrophobicContact CE1-CZ 3.83Å; I524-F751 HydrophobicContact CD1-CE1 3.71Å; I524-F751 HydrophobicContact CD1-CZ 3.71Å; R746-F751 HydrophobicContact CB-CE2 4.2Å; R746-F751 HydrophobicContact CB-CZ 4.32Å; R746-F751 HydrophobicContact CG-CE2 4.37Å; R746-F751 HydrophobicContact CG-CZ 4.02Å; T749-F751 HydrophobicContact CG2-CD1 4.25Å; T749-F751 HydrophobicContact CG2-CD2 3.98Å; T749-F751 HydrophobicContact CG2-CE1 4.09Å; T749-F751 HydrophobicContact CG2-CE2 3.81Å; T749-F751 HydrophobicContact CG2-CG 4.19Å; T749-F751 HydrophobicContact CG2-CZ 3.85Å
752V96Very high93.6Very high117 Ų11763.8 Ų63.871%0.70930%0.3SS*.THydrogen-bonded Turntrans-72.1-47-178.7178.90000109.7D750D750-V752 VanDerWaalsContact C-N 3.33Å; D750-V752 WeakPolarHBondContact OD1-CB 3.28Å; D750-V752 PolarHBondContact OD1-N 2.92Å
753H96.1Very high93.3Very high52 Ų5266.5 Ų66.524%0.24132%0.319CS..THydrogen-bonded Turntrans-96.7-7.9-180-53.8102.6000113.1Y594 F614 D750 L755Y594-H753 HydrophobicContact CD2-CB 4.04Å; Y594-H753 WeakPolarHBondContact CD2-O 3.34Å; Y594-H753 AromaticContact CE1-CD2 3.97Å; Y594-H753 HydrophobicContact CG-CB 4Å; F614-H753 HydrophobicContact CE1-CB 4.14Å; F614-H753 AromaticContact CE1-CD2 3.94Å; F614-H753 AromaticContact CE1-CG 3.78Å; F614-H753 AromaticContact CZ-CD2 3.44Å; F614-H753 VanDerWaalsContact CZ-CD2 3.44Å; F614-H753 WeakPolarHBondContact CZ-CD2 3.03Å; F614-H753 AromaticContact CZ-CE1 3.85Å; F614-H753 AromaticContact CZ-CG 3.72Å; F614-H753 AromaticContact CZ-ND1 3.96Å; F614-H753 AromaticContact CZ-NE2 3.54Å; D750-H753 PolarHBondContact OD1-N 3.06Å; D750-H753 VanDerWaalsContact OD1-N 3.13Å; D750-H753 IonicContact OD1-ND1 2.56Å; D750-H753 IonicContact OD2-CE1 3.72Å; D750-H753 IonicContact OD2-CG 2.86Å; D750-H753 IonicContact OD2-ND1 2.81Å; D750-H753 PolarHBondContact OD2-ND1 2.62Å; H753-L755 HydrophobicContact CB-CD1 3.91Å; H753-L755 HydrophobicContact CB-CG 4.12Å
754R96.9Very high93.1Very high62 Ų6264.4 Ų64.423%0.23431%0.308CS..THydrogen-bonded Turntrans62.952.4178.8-51.6176.567.7-161.1-4111.8F517 E518 E521 N550 D750F517-R754 HydrophobicContact CB-CB 4.48Å; F517-R754 VanDerWaalsContact CB-NH2 3.34Å; F517-R754 HydrophobicContact CD1-CB 3.79Å; F517-R754 HydrophobicContact CD1-CG 3.92Å; F517-R754 VanDerWaalsContact CD1-NE 3.35Å; F517-R754 HydrophobicContact CD2-CB 3.91Å; F517-R754 HydrophobicContact CE1-CB 3.86Å; F517-R754 HydrophobicContact CE1-CG 3.86Å; F517-R754 VanDerWaalsContact CE2-C 3.46Å; F517-R754 HydrophobicContact CE2-CB 4Å; F517-R754 HydrophobicContact CG-CB 3.8Å; F517-R754 HydrophobicContact CG-CG 4.44Å; F517-R754 HydrophobicContact CZ-CB 3.97Å; F517-R754 HydrophobicContact CZ-CG 4.33Å; E518-R754 IonicContact OE1-CZ 3.75Å; E518-R754 IonicContact OE1-NH1 3.59Å; E518-R754 PolarHBondContact OE1-NH1 2.83Å; E518-R754 IonicContact OE1-NH2 3.83Å; E518-R754 PolarHBondContact OE1-NH2 3.49Å; E518-R754 VanDerWaalsContact OE1-NH2 3.08Å; E518-R754 IonicContact OE2-CZ 3.59Å; E518-R754 IonicContact OE2-NH1 3.67Å; E518-R754 IonicContact OE2-NH2 3.92Å; E518-R754 PolarHBondContact OE2-NH2 2.94Å; E521-R754 IonicContact OE2-NH2 2.81Å; N550-R754 PolarHBondContact ND2-O 2.65Å; D750-R754 CarbonylContact O-C 3.45Å; D750-R754 WeakPolarHBondContact O-CA 3.49Å; D750-R754 PolarHBondContact O-N 3.13Å
755L95.3Very high93Very high11 Ų1159.3 Ų59.36%0.05828%0.284CS..EExtended strand (participates in β ladder)trans-129.9150.9-174.5-64.5174.9000111.9N550 C595 F614 D750 H753N550-L755 HydrophobicContact CB-CD2 4.3Å; C595-L755 HydrophobicContact CB-CD2 3.54Å; F614-L755 HydrophobicContact CD1-CD1 3.89Å; F614-L755 HydrophobicContact CE1-CD1 4.07Å; D750-L755 HydrophobicContact CB-CB 4.45Å; D750-L755 PolarHBondContact N-O 2.96Å; D750-L755 PolarHBondContact O-N 3.41Å; H753-L755 HydrophobicContact CB-CD1 3.91Å; H753-L755 HydrophobicContact CB-CG 4.12Å
756P94.1Very high92.7Very high15 Ų1560 Ų6010%0.09729%0.29CS..EExtended strand (participates in β ladder)trans-68.8147.3158.5-14.833.6000109.8P552 E758 E759P552-P756 HydrophobicContact CB-CB 4.31Å; P552-P756 HydrophobicContact CB-CG 4.36Å; P756-E758 VanDerWaalsContact C-N 3.31Å; P756-E759 VanDerWaalsContact CB-OE1 3.24Å; P756-E759 WeakPolarHBondContact CB-OE1 3.24Å; P756-E759 WeakPolarHBondContact CG-OE1 3.26Å
757K89.6Confident92.6Very high132 Ų13255.4 Ų55.457%0.57427%0.272SS*.SBendtrans-74.3-21.6179-71.3-179.4-176.6172.80113.8E747 H748 T749E747-K757 WeakPolarHBondContact O-CE 3.16Å; E747-K757 PolarHBondContact O-NZ 3.14Å; H748-K757 WeakPolarHBondContact O-CG 3.46Å; H748-K757 PolarHBondContact O-N 3.17Å; T749-K757 WeakPolarHBondContact O-CE 3.39Å
758E86.7Confident92.6Very high166 Ų16648.5 Ų48.578%0.77624%0.24SC*.  trans-130.2123.8-179.4-66.9-176.8-17500109P756P756-E758 VanDerWaalsContact C-N 3.31Å
759E88Confident92.5Very high27 Ų2745.6 Ų45.613%0.12623%0.225CC..  trans-126.9122.7-175.5-71.8-71.495.300110P756 W761 L762P756-E759 VanDerWaalsContact CB-OE1 3.24Å; P756-E759 WeakPolarHBondContact CB-OE1 3.24Å; P756-E759 WeakPolarHBondContact CG-OE1 3.26Å; E759-W761 VanDerWaalsContact C-N 3.3Å; E759-W761 HydrophobicContact CB-CZ2 4.06Å; E759-W761 HydrophobicContact CG-CZ2 4.09Å; E759-W761 PolarHBondContact O-N 3.05Å; E759-W761 PolarHBondContact OE2-NE1 3.17Å; E759-L762 HydrophobicContact CB-CD1 3.98Å; E759-L762 HydrophobicContact CB-CG 4.16Å; E759-L762 PolarHBondContact O-N 3.39Å
760W90.6Very high92.1Very high51 Ų5145.3 Ų45.319%0.19322%0.223CC..G310 helixtrans-66.6-29.8-172.966.6-95.7000113.6N357 D555 F556 Y597 M601 L762 S763 L764N357-W760 VanDerWaalsContact ND2-CE3 3.26Å; N357-W760 VanDerWaalsContact ND2-CH2 3.3Å; N357-W760 WeakPolarHBondContact ND2-CH2 3.07Å; N357-W760 WeakPolarHBondContact ND2-CZ2 3.36Å; N357-W760 VanDerWaalsContact ND2-CZ3 3.32Å; N357-W760 WeakPolarHBondContact ND2-CZ3 3.18Å; D555-W760 PolarHBondContact O-NE1 2.83Å; F556-W760 HydrophobicContact CD1-CZ2 4.49Å; F556-W760 HydrophobicContact CE1-CH2 4.26Å; F556-W760 AromaticContact CE1-CZ2 3.61Å; F556-W760 HydrophobicContact CE1-CZ2 3.61Å; F556-W760 HydrophobicContact CZ-CH2 4.15Å; F556-W760 AromaticContact CZ-CZ2 3.66Å; F556-W760 HydrophobicContact CZ-CZ2 3.66Å; Y597-W760 AromaticContact CE2-CZ2 3.94Å; Y597-W760 HydrophobicContact CE2-CZ2 3.94Å; M601-W760 HydrophobicContact CE-CH2 3.79Å; M601-W760 HydrophobicContact CE-CZ3 4.32Å; W760-L762 VanDerWaalsContact C-N 3.29Å; W760-L762 PolarHBondContact O-N 3.27Å; W760-S763 PolarHBondContact O-OG 2.78Å; W760-L764 HydrophobicContact CZ3-CD1 3.81Å
761W92.8Very high91.9Very high0 Ų043.2 Ų43.20%021%0.212CC..G310 helixtrans-78.8-12.4-173.252.9-93.7000113Y597 T600 M601 I613 E615 E759 S763 L764Y597-W761 HydrophobicContact CD2-CB 4.22Å; Y597-W761 AromaticContact CD2-CD1 3.46Å; Y597-W761 VanDerWaalsContact CD2-CD1 3.46Å; Y597-W761 HydrophobicContact CD2-CD2 4.19Å; Y597-W761 AromaticContact CD2-CG 3.68Å; Y597-W761 HydrophobicContact CD2-CG 3.68Å; Y597-W761 AromaticContact CD2-NE1 3.76Å; Y597-W761 HydrophobicContact CE2-CG 4.44Å; T600-W761 HydrophobicContact CG2-CE3 4Å; T600-W761 HydrophobicContact CG2-CZ3 4.34Å; T600-W761 WeakPolarHBondContact OG1-CZ3 3.18Å; M601-W761 HydrophobicContact CG-CB 4.5Å; M601-W761 HydrophobicContact SD-CB 3.85Å; I613-W761 HydrophobicContact CD1-CH2 3.98Å; I613-W761 HydrophobicContact CD1-CZ3 3.75Å; E615-W761 HydrophobicContact CG-CH2 4.34Å; E615-W761 VanDerWaalsContact OE1-CH2 3.27Å; E615-W761 WeakPolarHBondContact OE1-CH2 3.45Å; E615-W761 WeakPolarHBondContact OE1-CZ2 3.23Å; E759-W761 VanDerWaalsContact C-N 3.3Å; E759-W761 HydrophobicContact CB-CZ2 4.06Å; E759-W761 HydrophobicContact CG-CZ2 4.09Å; E759-W761 PolarHBondContact O-N 3.05Å; E759-W761 PolarHBondContact OE2-NE1 3.17Å; W761-S763 PolarHBondContact O-N 3.07Å; W761-L764 WeakPolarHBondContact O-CB 3.49Å; W761-L764 PolarHBondContact O-N 2.77Å
762L91.7Very high91.5Very high61 Ų6139.9 Ų39.932%0.31920%0.198SC..G310 helixtrans-62.1-30.6174.1-73.3171.4000111.8I613 E615 E759 W760 L764 R765I613-L762 HydrophobicContact CD1-CD2 3.86Å; E615-L762 HydrophobicContact CB-CD1 4.39Å; E615-L762 HydrophobicContact CB-CD2 3.93Å; E759-L762 HydrophobicContact CB-CD1 3.98Å; E759-L762 HydrophobicContact CB-CG 4.16Å; E759-L762 PolarHBondContact O-N 3.39Å; W760-L762 VanDerWaalsContact C-N 3.29Å; W760-L762 PolarHBondContact O-N 3.27Å; L762-L764 PolarHBondContact O-N 3Å; L762-L764 VanDerWaalsContact O-N 3.16Å; L762-R765 WeakPolarHBondContact O-CB 3.46Å; L762-R765 WeakPolarHBondContact O-CG 3.46Å; L762-R765 PolarHBondContact O-N 2.53Å; L762-R765 VanDerWaalsContact O-N 3.11Å
763S87.8Confident90.9Very high57 Ų5739.3 Ų39.340%0.39919%0.186SC..G310 helixtrans-64.5-16.8175.467.80000113.5W760 W761 P766W760-S763 PolarHBondContact O-OG 2.78Å; W761-S763 PolarHBondContact O-N 3.07Å; S763-P766 WeakPolarHBondContact O-CD 3.14Å
764L91.5Very high90Very high1 Ų137 Ų371%0.00518%0.176CC..G310 helixtrans-85.5-9.2177.6-60.1-177.8000113.2R329 M601 L604 W760 W761 L762 L767 M768 E781R329-L764 HydrophobicContact CG-CD2 4.05Å; M601-L764 HydrophobicContact CE-CD1 3.77Å; M601-L764 HydrophobicContact SD-CD1 3.77Å; L604-L764 HydrophobicContact CD2-CB 4.43Å; L604-L764 HydrophobicContact CD2-CD1 4.4Å; W760-L764 HydrophobicContact CZ3-CD1 3.81Å; W761-L764 WeakPolarHBondContact O-CB 3.49Å; W761-L764 PolarHBondContact O-N 2.77Å; L762-L764 PolarHBondContact O-N 3Å; L762-L764 VanDerWaalsContact O-N 3.16Å; L764-L767 VanDerWaalsContact O-CB 3.29Å; L764-L767 WeakPolarHBondContact O-CB 3.2Å; L764-L767 PolarHBondContact O-N 3.39Å; L764-M768 PolarHBondContact O-N 3.49Å; L764-E781 HydrophobicContact CD2-CG 4.49Å; L764-E781 VanDerWaalsContact CD2-OE1 3.29Å; L764-E781 WeakPolarHBondContact CD2-OE1 3.2Å; L764-E781 WeakPolarHBondContact CD2-OE2 3.42Å
765R91.6Very high88.2Confident8 Ų838.8 Ų38.83%0.0319%0.19CC..Hα-helixtrans-62.1-43.4-179.4-72.8-149.859.6167.1-11.1113.8T600 A611 E616 L762 L767 M768 R769T600-R765 HydrophobicContact CG2-CG 3.71Å; A611-R765 PolarHBondContact O-NH2 3.36Å; E616-R765 IonicContact OE1-CZ 2.68Å; E616-R765 VanDerWaalsContact OE1-CZ 3.29Å; E616-R765 IonicContact OE1-NE 3.67Å; E616-R765 IonicContact OE1-NH1 3.55Å; E616-R765 IonicContact OE1-NH2 3.68Å; E616-R765 PolarHBondContact OE1-NH2 3.3Å; E616-R765 VanDerWaalsContact OE2-CD 3.29Å; E616-R765 WeakPolarHBondContact OE2-CD 3.4Å; E616-R765 IonicContact OE2-CZ 2.92Å; E616-R765 IonicContact OE2-NE 3.06Å; E616-R765 PolarHBondContact OE2-NE 3.23Å; E616-R765 IonicContact OE2-NH1 2.73Å; E616-R765 PolarHBondContact OE2-NH1 2.94Å; E616-R765 IonicContact OE2-NH2 3.3Å; E616-R765 PolarHBondContact OE2-NH2 2.94Å; L762-R765 WeakPolarHBondContact O-CB 3.46Å; L762-R765 WeakPolarHBondContact O-CG 3.46Å; L762-R765 PolarHBondContact O-N 2.53Å; L762-R765 VanDerWaalsContact O-N 3.11Å; R765-L767 VanDerWaalsContact C-N 3.28Å; R765-L767 PolarHBondContact O-N 3.21Å; R765-M768 WeakPolarHBondContact O-CB 2.94Å; R765-M768 PolarHBondContact O-N 3.32Å; R765-R769 PolarHBondContact O-N 3.1Å
766P89.4Confident86.6Confident31 Ų3139.6 Ų39.620%0.20120%0.196CC..Hα-helixtrans-58.3-40.6172.2-26.936.2000112.8S763 M768 R769 I770 L777S763-P766 WeakPolarHBondContact O-CD 3.14Å; P766-M768 VanDerWaalsContact C-N 3.32Å; P766-M768 PolarHBondContact O-N 2.74Å; P766-R769 PolarHBondContact O-N 3.31Å; P766-I770 WeakPolarHBondContact O-CB 3.17Å; P766-I770 VanDerWaalsContact O-CG1 3.29Å; P766-I770 WeakPolarHBondContact O-CG1 3.29Å; P766-I770 PolarHBondContact O-N 2.8Å; P766-L777 VanDerWaalsContact CB-O 3.27Å; P766-L777 WeakPolarHBondContact CB-O 3.3Å
767L91.2Very high84.7Confident0 Ų043.7 Ų43.70%022%0.216CC..Hα-helixtrans-57.7-47.9175.9-17351.5000110.8R329 A332 L604 L764 R765 R769 I770 M771 Y778R329-L767 HydrophobicContact CB-CD2 4.45Å; R329-L767 HydrophobicContact CG-CD2 3.89Å; A332-L767 HydrophobicContact CB-CD1 3.49Å; A332-L767 VanDerWaalsContact CB-CD1 3.49Å; L604-L767 HydrophobicContact CD1-CD2 4.46Å; L604-L767 HydrophobicContact CD1-CG 4.28Å; L604-L767 HydrophobicContact CD2-CD2 4.41Å; L764-L767 VanDerWaalsContact O-CB 3.29Å; L764-L767 WeakPolarHBondContact O-CB 3.2Å; L764-L767 PolarHBondContact O-N 3.39Å; R765-L767 VanDerWaalsContact C-N 3.28Å; R765-L767 PolarHBondContact O-N 3.21Å; L767-R769 PolarHBondContact O-N 3Å; L767-I770 PolarHBondContact O-N 3.23Å; L767-M771 HydrophobicContact CD1-CE 3.88Å; L767-M771 HydrophobicContact CD1-CG 3.99Å; L767-M771 HydrophobicContact CG-CG 4.28Å; L767-M771 VanDerWaalsContact O-CB 3.29Å; L767-M771 WeakPolarHBondContact O-CB 3.32Å; L767-M771 WeakPolarHBondContact O-CG 3.45Å; L767-M771 PolarHBondContact O-N 3.48Å; L767-Y778 HydrophobicContact CB-CD2 4.38Å; L767-Y778 HydrophobicContact CB-CE2 3.76Å; L767-Y778 HydrophobicContact CD1-CD2 4.39Å; L767-Y778 HydrophobicContact CD1-CE2 3.67Å; L767-Y778 HydrophobicContact CG-CE2 4.14Å
768M93.2Very high83.3Confident4 Ų437.5 Ų37.52%0.0219%0.189CC..Hα-helixtrans-57.9-49178.6-177.1-151.37200111.4A603 L604 A611 L764 R765 P766 M771 A772A603-M768 HydrophobicContact CB-CG 4.23Å; A603-M768 HydrophobicContact CB-SD 3.52Å; A603-M768 VanDerWaalsContact CB-SD 3.52Å; L604-M768 HydrophobicContact CD1-CB 4.34Å; A611-M768 HydrophobicContact CB-CE 3.98Å; A611-M768 HydrophobicContact CB-SD 3.58Å; A611-M768 VanDerWaalsContact CB-SD 3.58Å; L764-M768 PolarHBondContact O-N 3.49Å; R765-M768 WeakPolarHBondContact O-CB 2.94Å; R765-M768 PolarHBondContact O-N 3.32Å; P766-M768 VanDerWaalsContact C-N 3.32Å; P766-M768 PolarHBondContact O-N 2.74Å; M768-M771 PolarHBondContact O-N 2.9Å; M768-A772 PolarHBondContact O-N 3.43Å; M768-A772 VanDerWaalsContact O-N 3.12Å
769R90.5Very high82Confident37 Ų3733.5 Ų33.514%0.1417%0.171CC..Hα-helixtrans-61.9-45.9178.8-72.7-171.275.490.33.6112.2R765 P766 L767 M771 A772 K773 H774R765-R769 PolarHBondContact O-N 3.1Å; P766-R769 PolarHBondContact O-N 3.31Å; L767-R769 PolarHBondContact O-N 3Å; R769-M771 PolarHBondContact O-N 3.47Å; R769-A772 CarbonylContact O-C 3.54Å; R769-A772 WeakPolarHBondContact O-CA 3.42Å; R769-A772 WeakPolarHBondContact O-CB 3.3Å; R769-A772 PolarHBondContact O-N 2.77Å; R769-K773 PolarHBondContact O-N 2.94Å; R769-H774 HydrophobicContact CB-CB 4.05Å; R769-H774 PolarHBondContact O-N 3.18Å
770I89.7Confident80.6Confident0 Ų032.4 Ų32.40%017%0.166CC..Hα-helixtrans-62.3-46.3177.5-69.4167.8000110M54 Y57 W84 P766 L767 A772 K773 Y778M54-I770 HydrophobicContact SD-CG2 4.05Å; Y57-I770 HydrophobicContact CD1-CD1 4.33Å; Y57-I770 HydrophobicContact CD1-CG2 3.88Å; Y57-I770 HydrophobicContact CD2-CG1 4.36Å; Y57-I770 HydrophobicContact CD2-CG2 3.79Å; Y57-I770 HydrophobicContact CE1-CD1 3.91Å; Y57-I770 HydrophobicContact CE1-CG1 4.4Å; Y57-I770 HydrophobicContact CE1-CG2 4.44Å; Y57-I770 HydrophobicContact CE2-CD1 4.44Å; Y57-I770 HydrophobicContact CE2-CG1 4.1Å; Y57-I770 HydrophobicContact CE2-CG2 4.37Å; Y57-I770 HydrophobicContact CG-CG2 3.54Å; W84-I770 VanDerWaalsContact CH2-O 3.25Å; W84-I770 WeakPolarHBondContact CH2-O 3.15Å; P766-I770 WeakPolarHBondContact O-CB 3.17Å; P766-I770 VanDerWaalsContact O-CG1 3.29Å; P766-I770 WeakPolarHBondContact O-CG1 3.29Å; P766-I770 PolarHBondContact O-N 2.8Å; L767-I770 PolarHBondContact O-N 3.23Å; I770-A772 PolarHBondContact O-N 3.02Å; I770-K773 PolarHBondContact O-N 3.23Å; I770-Y778 VanDerWaalsContact CD1-CB 3.47Å; I770-Y778 HydrophobicContact CD1-CD2 3.92Å; I770-Y778 HydrophobicContact CD1-CG 4.11Å
771M92.2Very high79.3Confident3 Ų331 Ų312%0.01516%0.162CC..Hα-helixtrans-60-18.5175.8-71.5-60.7116.800112.4R49 A50 R53 M54 W84 L767 M768 R769R49-M771 PolarHBondContact NH2-O 3.37Å; A50-M771 HydrophobicContact CB-SD 4.12Å; R53-M771 HydrophobicContact CB-CE 3.87Å; R53-M771 HydrophobicContact CB-SD 3.73Å; R53-M771 WeakPolarHBondContact CD-O 3.35Å; R53-M771 HydrophobicContact CG-SD 4.5Å; R53-M771 PolarHBondContact NH1-O 2.92Å; M54-M771 HydrophobicContact CB-CE 4.06Å; M54-M771 HydrophobicContact SD-CE 4.39Å; W84-M771 WeakPolarHBondContact CZ2-O 3.49Å; L767-M771 HydrophobicContact CD1-CE 3.88Å; L767-M771 HydrophobicContact CD1-CG 3.99Å; L767-M771 HydrophobicContact CG-CG 4.28Å; L767-M771 VanDerWaalsContact O-CB 3.29Å; L767-M771 WeakPolarHBondContact O-CB 3.32Å; L767-M771 WeakPolarHBondContact O-CG 3.45Å; L767-M771 PolarHBondContact O-N 3.48Å; M768-M771 PolarHBondContact O-N 2.9Å; R769-M771 PolarHBondContact O-N 3.47Å
772A87.6Confident77.5Confident3 Ų331 Ų313%0.02516%0.162CC..THydrogen-bonded Turntrans-94.3-1.6173.300000114.5D609 H629 M768 R769 I770D609-A772 WeakPolarHBondContact O-CB 2.79Å; H629-A772 PolarHBondContact CE1-O 2.92Å; H629-A772 VanDerWaalsContact CE1-O 3.3Å; H629-A772 PolarHBondContact NE2-O 3.27Å; M768-A772 PolarHBondContact O-N 3.43Å; M768-A772 VanDerWaalsContact O-N 3.12Å; R769-A772 CarbonylContact O-C 3.54Å; R769-A772 WeakPolarHBondContact O-CA 3.42Å; R769-A772 WeakPolarHBondContact O-CB 3.3Å; R769-A772 PolarHBondContact O-N 2.77Å; I770-A772 PolarHBondContact O-N 3.02Å
773K83.5Confident75.9Confident104 Ų10428.5 Ų28.545%0.45215%0.149SC..THydrogen-bonded Turntrans74.823.4-176.1-159.1-175177.8-175.40113.6W84 H629 R769 I770W84-K773 HydrophobicContact CD2-CD 4.35Å; W84-K773 HydrophobicContact CH2-CB 3.92Å; W84-K773 HydrophobicContact CH2-CG 4.44Å; W84-K773 HydrophobicContact CZ2-CB 3.47Å; W84-K773 VanDerWaalsContact CZ2-CB 3.47Å; W84-K773 HydrophobicContact CZ2-CG 4.23Å; H629-K773 PolarHBondContact CE1-O 3.05Å; R769-K773 PolarHBondContact O-N 2.94Å; I770-K773 PolarHBondContact O-N 3.23Å
774H75.4Confident74Confident5 Ų526.6 Ų26.62%0.02313%0.134CC..  trans-81152.6164.4-70.8-91.4000110.6D609 D626 H629 R769 S776D609-H774 PolarHBondContact O-NE2 2.59Å; D626-H774 IonicContact OD1-CE1 3.29Å; D626-H774 PolarHBondContact OD1-CE1 3.01Å; D626-H774 IonicContact OD1-ND1 3.18Å; D626-H774 IonicContact OD1-NE2 2.81Å; H629-H774 AromaticContact CD2-CE1 3.85Å; H629-H774 AromaticContact CD2-NE2 3.44Å; H629-H774 PolarHBondContact CD2-NE2 2.7Å; H629-H774 AromaticContact CG-CE1 3.51Å; H629-H774 AromaticContact CG-NE2 3.57Å; H629-H774 AromaticContact ND1-CE1 3.94Å; H629-H774 AromaticContact ND1-NE2 3.99Å; H629-H774 AromaticContact NE2-NE2 3.85Å; R769-H774 HydrophobicContact CB-CB 4.05Å; R769-H774 PolarHBondContact O-N 3.18Å; H774-S776 PolarHBondContact O-N 2.88Å
775D60.3Low72Confident99 Ų9927 Ų2753%0.52914%0.137SC..  trans-75.2119.4168.8-71.7-36.5000108.7R24R24-D775 WeakPolarHBondContact CD-OD1 3.17Å; R24-D775 IonicContact CZ-OD1 3.71Å; R24-D775 IonicContact NE-OD1 3.64Å; R24-D775 IonicContact NH1-OD1 3.72Å; R24-D775 PolarHBondContact NH1-OD1 3.46Å; R24-D775 IonicContact NH1-OD2 3.37Å; R24-D775 PolarHBondContact NH1-OD2 2.99Å
776S60.7Low69.7Low27 Ų2728.1 Ų28.119%0.18915%0.151CC..  trans-154.2144.2177.1-173.90000109Y57 H774 Y778Y57-S776 PolarHBondContact OH-O 3.03Å; H774-S776 PolarHBondContact O-N 2.88Å; S776-Y778 PolarHBondContact O-N 2.94Å
777L54.3Low67.3Low101 Ų10127.2 Ų27.253%0.52915%0.145SC..PPolyproline II helixtrans-78.3121.6175.3-75.8155000109.5Y21 P766Y21-L777 HydrophobicContact CD1-CB 3.79Å; Y21-L777 HydrophobicContact CE1-CB 4.36Å; P766-L777 VanDerWaalsContact CB-O 3.27Å; P766-L777 WeakPolarHBondContact CB-O 3.3Å
778Y60.1Low64.8Low2 Ų233.4 Ų33.41%0.00818%0.178CC..EExtended strand (participates in β ladder)trans-87132.8174.7-168.2-105.4000110.8Y21 V22 M54 L336 L767 I770 S776Y21-Y778 CarbonylContact C-O 3.59Å; Y21-Y778 VanDerWaalsContact CA-O 3.28Å; Y21-Y778 WeakPolarHBondContact CA-O 3.25Å; V22-Y778 PolarHBondContact N-O 3.1Å; M54-Y778 HydrophobicContact CE-CD1 3.37Å; M54-Y778 HydrophobicContact CE-CD2 3.76Å; M54-Y778 HydrophobicContact CE-CE1 3.59Å; M54-Y778 HydrophobicContact CE-CE2 3.98Å; M54-Y778 HydrophobicContact CE-CG 3.43Å; M54-Y778 VanDerWaalsContact CE-CG 3.43Å; L336-Y778 HydrophobicContact CD1-CD1 3.52Å; L336-Y778 HydrophobicContact CD1-CE1 3.42Å; L336-Y778 VanDerWaalsContact CD1-CE1 3.42Å; L767-Y778 HydrophobicContact CB-CD2 4.38Å; L767-Y778 HydrophobicContact CB-CE2 3.76Å; L767-Y778 HydrophobicContact CD1-CD2 4.39Å; L767-Y778 HydrophobicContact CD1-CE2 3.67Å; L767-Y778 HydrophobicContact CG-CE2 4.14Å; I770-Y778 VanDerWaalsContact CD1-CB 3.47Å; I770-Y778 HydrophobicContact CD1-CD2 3.92Å; I770-Y778 HydrophobicContact CD1-CG 4.11Å; S776-Y778 PolarHBondContact O-N 2.94Å
779E60Low62.5Low83 Ų8335.5 Ų35.539%0.38819%0.186SC..EExtended strand (participates in β ladder)trans-101.7126168.7-170.4179.4175.300108.7G19 Y21 E781G19-E779 VanDerWaalsContact CA-OE1 3.27Å; G19-E779 WeakPolarHBondContact CA-OE1 3.44Å; Y21-E779 HydrophobicContact CE1-CB 4.47Å; E779-E781 PolarHBondContact O-N 3.43Å
780S58.6Low59.6Low3 Ų346.3 Ų46.32%0.02123%0.234CC..PPolyproline II helixtrans-63.6127.7176.91790000110.8K20 E333 S782K20-S780 PolarHBondContact O-N 2.84Å; E333-S780 VanDerWaalsContact CD-OG 3.29Å; E333-S780 PolarHBondContact OE1-OG 3.18Å; E333-S780 PolarHBondContact OE2-OG 2.61Å; S780-S782 VanDerWaalsContact C-N 3.31Å; S780-S782 PolarHBondContact OG-N 3.32Å
781E64.2Low58.1Low23 Ų2348.7 Ų48.711%0.10725%0.245CC..  trans-76.9-19.4179.1-68.1-164.584.600112.7R329 Q358 A359 L764 E779R329-E781 IonicContact CZ-OE1 2.98Å; R329-E781 IonicContact CZ-OE2 3.8Å; R329-E781 IonicContact NE-OE1 3.38Å; R329-E781 PolarHBondContact NE-OE1 2.81Å; R329-E781 IonicContact NE-OE2 3.79Å; R329-E781 PolarHBondContact NE-OE2 2.94Å; R329-E781 IonicContact NH2-OE1 2.99Å; R329-E781 PolarHBondContact NH2-OE1 3.31Å; R329-E781 IonicContact NH2-OE2 3.27Å; Q358-E781 PolarHBondContact NE2-O 2.99Å; A359-E781 HydrophobicContact CB-CB 4.27Å; L764-E781 HydrophobicContact CD2-CG 4.49Å; L764-E781 VanDerWaalsContact CD2-OE1 3.29Å; L764-E781 WeakPolarHBondContact CD2-OE1 3.2Å; L764-E781 WeakPolarHBondContact CD2-OE2 3.42Å; E779-E781 PolarHBondContact O-N 3.43Å
782S54.8Low56.3Low0 Ų051.1 Ų51.10%026%0.258CS..  trans-95.2136.6-159.483.50000115.3E333 A359 R361 S780E333-S782 VanDerWaalsContact CD-CB 3.46Å; E333-S782 WeakPolarHBondContact OE1-CB 3.49Å; E333-S782 PolarHBondContact OE1-OG 3.2Å; A359-S782 VanDerWaalsContact O-CA 3.29Å; A359-S782 WeakPolarHBondContact O-CA 3.35Å; R361-S782 WeakPolarHBondContact CG-OG 3.26Å; R361-S782 PolarHBondContact NE-OG 3.02Å; S780-S782 VanDerWaalsContact C-N 3.31Å; S780-S782 PolarHBondContact OG-N 3.32Å
783I56.9Low54.6Low8 Ų853.7 Ų53.74%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-102.8142.2169.4-30.5-176.2000108.7W13 E18 Q358 V360 R361 A785W13-I783 HydrophobicContact CB-CG2 4.1Å; W13-I783 HydrophobicContact CD2-CB 4.43Å; W13-I783 HydrophobicContact CD2-CG2 3.66Å; W13-I783 HydrophobicContact CE3-CB 3.58Å; W13-I783 HydrophobicContact CE3-CD1 4.2Å; W13-I783 HydrophobicContact CE3-CG1 4.47Å; W13-I783 HydrophobicContact CE3-CG2 3.18Å; W13-I783 HydrophobicContact CG-CG2 4.07Å; W13-I783 HydrophobicContact CH2-CB 4.49Å; W13-I783 HydrophobicContact CH2-CD1 3.91Å; W13-I783 HydrophobicContact CZ2-CD1 4.29Å; W13-I783 HydrophobicContact CZ3-CB 3.6Å; W13-I783 HydrophobicContact CZ3-CD1 3.87Å; W13-I783 HydrophobicContact CZ3-CG1 4.22Å; W13-I783 HydrophobicContact CZ3-CG2 3.77Å; E18-I783 VanDerWaalsContact CD-CG1 3.41Å; E18-I783 HydrophobicContact CG-CG1 4.27Å; E18-I783 VanDerWaalsContact OE1-CD1 3.28Å; E18-I783 WeakPolarHBondContact OE1-CD1 3.34Å; E18-I783 WeakPolarHBondContact OE1-CG1 3.32Å; E18-I783 VanDerWaalsContact OE2-CD1 3.3Å; E18-I783 WeakPolarHBondContact OE2-CD1 3.37Å; E18-I783 WeakPolarHBondContact OE2-CG1 3.4Å; Q358-I783 VanDerWaalsContact NE2-CD1 3.32Å; V360-I783 WeakPolarHBondContact CA-O 3.44Å; R361-I783 PolarHBondContact N-O 3.15Å; I783-A785 PolarHBondContact O-N 3.17Å
784M48.3Very low52.9Low17 Ų1750.8 Ų50.88%0.08426%0.26CS..EExtended strand (participates in β ladder)trans-73.9115.6169.8-83.3-105-84.800109.7L14 L347 R361L14-M784 HydrophobicContact CB-CB 3.81Å; L14-M784 HydrophobicContact CB-CE 3.87Å; L14-M784 HydrophobicContact CD1-CE 3.9Å; L14-M784 PolarHBondContact N-O 3.48Å; L14-M784 WeakPolarHBondContact O-CB 3.5Å; L347-M784 HydrophobicContact CD2-CE 3.83Å; L347-M784 HydrophobicContact CD2-SD 4.23Å; R361-M784 HydrophobicContact CB-CG 4.24Å; R361-M784 HydrophobicContact CB-SD 4.25Å
785A49.4Very low51.5Low8 Ų853.6 Ų53.67%0.06628%0.275CS..EExtended strand (participates in β ladder)trans-110.2134.2-177.100000111.4W13 V360 R361 P363 I783 R789W13-A785 HydrophobicContact CE3-CB 4.44Å; W13-A785 HydrophobicContact CZ3-CB 4.08Å; V360-A785 HydrophobicContact CB-CB 4.11Å; V360-A785 HydrophobicContact CG1-CB 4.41Å; V360-A785 HydrophobicContact CG2-CB 4.45Å; R361-A785 PolarHBondContact O-N 2.83Å; P363-A785 WeakPolarHBondContact CD-O 3.4Å; I783-A785 PolarHBondContact O-N 3.17Å; A785-R789 VanDerWaalsContact CB-NH2 3.35Å
786G42.7Very low50.9Low32 Ų3250.6 Ų50.633%0.3326%0.258SS..  trans-69.3147.8164.100000112.2R789G786-R789 PolarHBondContact O-NE 3.16Å
787T40Very low50.2Low13 Ų1352.3 Ų52.38%0.0826%0.263CS..SBendtrans-76.2-23.4177.448.90000114.4V362 K366 R370 R789V362-T787 HydrophobicContact CG1-CG2 3.26Å; K366-T787 HydrophobicContact CB-CG2 3.48Å; K366-T787 VanDerWaalsContact CB-CG2 3.48Å; K366-T787 HydrophobicContact CD-CG2 4.18Å; K366-T787 WeakPolarHBondContact CD-OG1 3.27Å; K366-T787 HydrophobicContact CG-CG2 4.48Å; R370-T787 PolarHBondContact NH1-O 3.19Å; T787-R789 PolarHBondContact O-N 3.02Å
788D39.3Very low49.9Very low129 Ų12948.5 Ų48.569%0.6924%0.242SC*.  trans-87.694.3-176.7-57.3-41.2000108K366K366-D788 IonicContact NZ-OD2 2.94Å
789R43.3Very low49Very low48 Ų4852.4 Ų52.418%0.18126%0.262CS..  trans-127.896.9174.7-65.1-177.1-176.4-149.2-17.5106.8T11 D355 A785 G786 T787T11-R789 VanDerWaalsContact CB-NH2 3.3Å; T11-R789 HydrophobicContact CG2-CG 3.78Å; T11-R789 VanDerWaalsContact CG2-NH2 3.3Å; T11-R789 PolarHBondContact OG1-NH2 2.84Å; D355-R789 IonicContact OD2-CZ 3.07Å; D355-R789 IonicContact OD2-NH1 3.92Å; D355-R789 PolarHBondContact OD2-NH1 2.9Å; A785-R789 VanDerWaalsContact CB-NH2 3.35Å; G786-R789 PolarHBondContact O-NE 3.16Å; T787-R789 PolarHBondContact O-N 3.02Å
790K30.6Very low48Very low265 Ų26549.6 Ų49.6100%1.15225%0.25SS*.  trans-64.80165.5-80.1-171.1174.4-175.20110.3

Retrieved 790 of 790 residues in 397.4 ms (Link to these results)

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