A0A096N8U8_PAPAN Loading...

Glucokinase regulatory protein

Regulates glucokinase (GCK) by forming an inactive complex with this enzyme. Acts by promoting GCK recruitment to the nucleus, possibly to provide a reserve of GCK that can be quickly released in the cytoplasm after a meal. The affinity of GCKR for GCK is modulated by fructose metabolites: GCKR with bound fructose 6-phosphate has increased affinity for GCK, while GCKR with bound fructose 1-phosphate has strongly decreased affinity for GCK and does not inhibit GCK activity.

AlphaFold DB , UniProt , Accession A0A096N8U8, Species PAPAN (Papio anubis, Olive baboon), Gene GCKR, Length 625 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
1M26.7Very low55.8Low233 Ų23396.4 Ų96.4100%1.14851%0.509SS*.  0131.50-71.9-173.9178.300106.7G3M1-G3 PolarHBondContact O-N 2.88Å
2P33.5Very low56.8Low123 Ų123102.8 Ų102.880%0.79953%0.534SS*.  trans-58.8123.6172-2.415.2000106.9T4P2-T4 PolarHBondContact O-N 3.31Å
3G44.6Very low56.7Low54 Ų5496.8 Ų96.856%0.55751%0.505SS*.  trans-57.1130.7-175.600000110.3M1 K5M1-G3 PolarHBondContact O-N 2.88Å; G3-K5 PolarHBondContact O-N 3.18Å
4T52.9Low56.8Low108 Ų10892 Ų9266%0.66348%0.482SS*.  trans-62.5109.5171.638.10000108.6P2 R6 Q66P2-T4 PolarHBondContact O-N 3.31Å; T4-R6 PolarHBondContact O-N 3.15Å; T4-Q66 PolarHBondContact O-NE2 2.91Å; T4-Q66 PolarHBondContact OG1-NE2 3.01Å; T4-Q66 VanDerWaalsContact OG1-NE2 3.12Å
5K59.4Low57.9Low100 Ų10096.1 Ų96.144%0.43550%0.498SS..  trans-55.9134.5174.2-64.3-171.8179.5-174.30109.7G3 H9 I11 E63G3-K5 PolarHBondContact O-N 3.18Å; K5-H9 HydrophobicContact CD-CB 4.19Å; K5-I11 PolarHBondContact NZ-O 3.13Å; K5-E63 WeakPolarHBondContact CA-OE2 3.47Å
6R69.8Low58.6Low152 Ų15295.1 Ų95.157%0.57450%0.5SS*.SBendtrans-72.9-35.7-176.1-170.7176.7-178.6-175.9-4.5111.2T4 E63 E77T4-R6 PolarHBondContact O-N 3.15Å; R6-E63 PolarHBondContact N-OE1 3.33Å; R6-E63 PolarHBondContact N-OE2 3.14Å; R6-E77 IonicContact CZ-OE2 3.47Å; R6-E77 IonicContact NH1-OE2 2.75Å; R6-E77 IonicContact NH2-OE2 2.94Å; R6-E77 PolarHBondContact NH2-OE2 3.02Å
7F69.3Low59.2Low41 Ų4190.4 Ų90.418%0.1848%0.479CS..SBendtrans-118.6157.9175.9-54.5-71.9000111.1H9 E63 Y75 L293F7-H9 PolarHBondContact O-CD2 3.36Å; F7-H9 PolarHBondContact O-N 3.11Å; F7-E63 WeakPolarHBondContact CA-OE1 3.35Å; F7-E63 VanDerWaalsContact CB-OE1 3.24Å; F7-E63 WeakPolarHBondContact CB-OE1 3.48Å; F7-E63 WeakPolarHBondContact CD2-OE1 3.48Å; F7-E63 PolarHBondContact N-OE1 3.27Å; F7-Y75 VanDerWaalsContact CE2-O 3.31Å; F7-Y75 WeakPolarHBondContact CE2-O 3.44Å; F7-L293 HydrophobicContact CD1-CD1 3.68Å; F7-L293 HydrophobicContact CD1-CD2 4.47Å; F7-L293 HydrophobicContact CE1-CD1 3.77Å; F7-L293 HydrophobicContact CG-CD1 4.33Å; F7-L293 HydrophobicContact CG-CD2 4.32Å
8Q71.4Confident60.1Low152 Ų15293.8 Ų93.871%0.7149%0.489SS*.  trans-72.3122.6171.8-171.2179.47.500110R297Q8-R297 PolarHBondContact O-NE 2.79Å; Q8-R297 PolarHBondContact O-NH2 3.4Å
9H70.6Confident60.9Low29 Ų2988.9 Ų88.913%0.13446%0.463CS..  trans-106.2151.7177.9-80.7-83.3000111.6K5 F7 F61 E63 Y75 E300K5-H9 HydrophobicContact CD-CB 4.19Å; F7-H9 PolarHBondContact O-CD2 3.36Å; F7-H9 PolarHBondContact O-N 3.11Å; H9-F61 PolarHBondContact CE1-O 3.23Å; H9-F61 VanDerWaalsContact CE1-O 3.3Å; H9-E63 IonicContact CD2-OE1 3.93Å; H9-E63 WeakPolarHBondContact NE2-CG 3.46Å; H9-E63 IonicContact NE2-OE1 3.01Å; H9-E63 PolarHBondContact NE2-OE1 2.93Å; H9-Y75 AromaticContact CE1-CD2 3.7Å; H9-Y75 AromaticContact CE1-CE2 3.44Å; H9-Y75 VanDerWaalsContact CE1-CE2 3.44Å; H9-Y75 WeakPolarHBondContact CE1-CE2 3.36Å; H9-Y75 AromaticContact CE1-CZ 3.97Å; H9-E300 WeakPolarHBondContact CA-OE1 3.26Å; H9-E300 WeakPolarHBondContact CB-OE1 3.12Å; H9-E300 IonicContact CG-OE1 3.84Å; H9-E300 IonicContact ND1-OE1 2.7Å; H9-E300 PolarHBondContact ND1-OE1 3.24Å; H9-E300 IonicContact ND1-OE2 2.68Å
10V56.5Low61.6Low54 Ų5485.8 Ų85.833%0.32745%0.446SS..SBendtrans-96.8-28.3175.4-169.40000112.2R297 E300 R301V10-R297 HydrophobicContact CG2-CB 4.3Å; V10-E300 HydrophobicContact CB-CG 4.31Å; V10-E300 PolarHBondContact N-OE1 3.4Å; V10-E300 PolarHBondContact N-OE2 2.94Å; V10-R301 HydrophobicContact CB-CG 4.02Å; V10-R301 HydrophobicContact CG1-CG 3.47Å; V10-R301 VanDerWaalsContact CG1-CG 3.47Å; V10-R301 HydrophobicContact CG2-CG 4Å
11I58.8Low62.2Low14 Ų1487.2 Ų87.27%0.07245%0.454CS..SBendtrans-109.6155.3174.872.2-174.9000111.7K5 T13 A58 F61 E300 H303 Q304K5-I11 PolarHBondContact NZ-O 3.13Å; I11-T13 HydrophobicContact CG1-CG2 4.26Å; I11-A58 HydrophobicContact CD1-CB 4.09Å; I11-F61 HydrophobicContact CD1-CD2 3.95Å; I11-E300 HydrophobicContact CB-CG 4.19Å; I11-E300 HydrophobicContact CD1-CG 3.82Å; I11-E300 HydrophobicContact CG1-CG 3.55Å; I11-E300 WeakPolarHBondContact CG1-OE1 3.07Å; I11-E300 HydrophobicContact CG2-CG 4.04Å; I11-E300 WeakPolarHBondContact CG2-O 3.44Å; I11-E300 PolarHBondContact N-OE1 2.94Å; I11-H303 HydrophobicContact CD1-CB 4.28Å; I11-Q304 HydrophobicContact CG2-CB 3.74Å; I11-Q304 HydrophobicContact CG2-CG 4.39Å
12E68.8Low63.9Low173 Ų17380.7 Ų80.781%0.80843%0.431SS*.PPolyproline II helixtrans-81.5119162-166.2161.5-149.700108.2
13T55.5Low65.4Low25 Ų2577.8 Ų77.815%0.15342%0.424CS..PPolyproline II helixtrans-87.6152.1173.953.90000109.3I11 F61 Q62I11-T13 HydrophobicContact CG1-CG2 4.26Å; T13-F61 HydrophobicContact CG2-CB 4.27Å; T13-Q62 VanDerWaalsContact CB-CG 3.49Å; T13-Q62 HydrophobicContact CG2-CG 3.97Å
14P56.9Low66.6Low30 Ų3077.5 Ų77.520%0.19541%0.407CS..PPolyproline II helixtrans-54.3156.1171-20.831.3000111.4L37 Q55 E59 Q62P14-L37 HydrophobicContact CB-CD1 4.46Å; P14-Q55 HydrophobicContact CG-CB 4.3Å; P14-E59 HydrophobicContact CG-CG 4.36Å; P14-Q62 PolarHBondContact O-NE2 3.22Å
15E73.1Confident67.8Low153 Ų15374.2 Ų74.272%0.71538%0.384SS*.PPolyproline II helixtrans-56.2155.1170.9-68.6-64150.500111.3G17E15-G17 PolarHBondContact O-N 3.33Å
16P70.1Confident68.4Low81 Ų8172.6 Ų72.653%0.52639%0.389SS..PPolyproline II helixtrans-49.5132.8177.5-27.635.1000112.3
17G68.3Low68.6Low14 Ų1470.3 Ų70.314%0.14440%0.403CS..PPolyproline II helixtrans-81.6146-169.200000112.5E15 W19 E20E15-G17 PolarHBondContact O-N 3.33Å; G17-W19 PolarHBondContact O-N 2.87Å; G17-E20 PolarHBondContact N-OE1 3.15Å; G17-E20 WeakPolarHBondContact O-CB 3.41Å; G17-E20 PolarHBondContact O-N 3.05Å
18K75.6Confident69.5Low153 Ų15370.2 Ų70.267%0.66541%0.405SS*.G310 helixtrans-54.3-22.8171.7-70.6-174.8179.7179.50113.3E20 L21 P36K18-E20 PolarHBondContact O-N 3.19Å; K18-L21 WeakPolarHBondContact O-CB 3.24Å; K18-L21 WeakPolarHBondContact O-CG 3.13Å; K18-L21 PolarHBondContact O-N 3.4Å; K18-P36 HydrophobicContact CB-CG 4.46Å
19W74.9Confident70.4Confident0 Ų064.8 Ų64.80%038%0.383CS..G310 helixtrans-65.4-19.4178.370.3-97.7000113.5G17 L21 Y24 I30 Y71 R73 A248 P251G17-W19 PolarHBondContact O-N 2.87Å; W19-L21 PolarHBondContact O-N 3.34Å; W19-Y24 HydrophobicContact CB-CD1 3.98Å; W19-Y24 HydrophobicContact CB-CE1 4.15Å; W19-I30 HydrophobicContact CE3-CG2 4.16Å; W19-I30 HydrophobicContact CZ3-CD1 4.04Å; W19-I30 HydrophobicContact CZ3-CG1 4.43Å; W19-I30 HydrophobicContact CZ3-CG2 4.04Å; W19-Y71 HydrophobicContact CE3-CE2 4.4Å; W19-Y71 HydrophobicContact CH2-CD2 4.32Å; W19-Y71 AromaticContact CZ3-CD2 3.72Å; W19-Y71 HydrophobicContact CZ3-CD2 3.72Å; W19-Y71 AromaticContact CZ3-CE2 3.98Å; W19-Y71 HydrophobicContact CZ3-CE2 3.98Å; W19-Y71 HydrophobicContact CZ3-CG 4.41Å; W19-R73 VanDerWaalsContact CZ2-NH1 3.25Å; W19-A248 HydrophobicContact CH2-CB 4.39Å; W19-P251 HydrophobicContact CB-CG 3.96Å; W19-P251 HydrophobicContact CD2-CG 4.4Å; W19-P251 HydrophobicContact CG-CG 3.87Å
20E74.9Confident71.6Confident26 Ų2663.5 Ų63.512%0.12138%0.377CS..G310 helixtrans-72.5-17.2179.4-65177.1-137.400112.3G17 K18 Y71G17-E20 PolarHBondContact N-OE1 3.15Å; G17-E20 WeakPolarHBondContact O-CB 3.41Å; G17-E20 PolarHBondContact O-N 3.05Å; K18-E20 PolarHBondContact O-N 3.19Å; E20-Y71 WeakPolarHBondContact O-CE2 3.49Å
21L74.7Confident73.4Confident116 Ų11661.3 Ų61.361%0.60736%0.364SS*.SBendtrans-72.1131.8177.4-59175.3000110.9K18 W19 G23 Y24K18-L21 WeakPolarHBondContact O-CB 3.24Å; K18-L21 WeakPolarHBondContact O-CG 3.13Å; K18-L21 PolarHBondContact O-N 3.4Å; W19-L21 PolarHBondContact O-N 3.34Å; L21-G23 PolarHBondContact O-N 2.98Å; L21-G23 VanDerWaalsContact O-N 3.08Å; L21-Y24 PolarHBondContact O-N 3.47Å
22S61.6Low75.2Confident96 Ų9662.6 Ų62.667%0.67137%0.37SS*.THydrogen-bonded Turntrans-57.9-26.3-179.4580000114.1A26S22-A26 VanDerWaalsContact O-CB 3.23Å; S22-A26 WeakPolarHBondContact O-CB 3.37Å
23G66Low76.5Confident63 Ų6354.4 Ų54.465%0.64933%0.332SS*.THydrogen-bonded Turntrans-79.4-19.7177.200000115.2L21 E25L21-G23 PolarHBondContact O-N 2.98Å; L21-G23 VanDerWaalsContact O-N 3.08Å; G23-E25 PolarHBondContact O-N 3.13Å; G23-E25 VanDerWaalsContact O-N 3.14Å
24Y68.8Low78.4Confident48 Ų4853.5 Ų53.519%0.18833%0.326CS..THydrogen-bonded Turntrans-74.2107.9-178.2-175.5-96000110.1W19 L21 A26 K33 S34W19-Y24 HydrophobicContact CB-CD1 3.98Å; W19-Y24 HydrophobicContact CB-CE1 4.15Å; L21-Y24 PolarHBondContact O-N 3.47Å; Y24-A26 VanDerWaalsContact C-N 3.29Å; Y24-A26 PolarHBondContact O-N 3.25Å; Y24-K33 HydrophobicContact CD1-CD 4.22Å; Y24-K33 PolarHBondContact O-NZ 3.42Å; Y24-S34 WeakPolarHBondContact CE1-O 3.46Å; Y24-S34 PolarHBondContact OH-O 2.75Å
25E78.4Confident80.3Confident39 Ų3952 Ų5218%0.18232%0.317CS..THydrogen-bonded Turntrans47.646.4-176.5-57.6-162173.900113.6G23 A27 V28 K33 R525G23-E25 PolarHBondContact O-N 3.13Å; G23-E25 VanDerWaalsContact O-N 3.14Å; E25-A27 PolarHBondContact O-N 3.49Å; E25-V28 HydrophobicContact CB-CB 4.09Å; E25-V28 HydrophobicContact CB-CG2 4.12Å; E25-V28 WeakPolarHBondContact O-CB 3.43Å; E25-V28 PolarHBondContact O-N 2.69Å; E25-K33 VanDerWaalsContact C-NZ 3.31Å; E25-K33 HydrophobicContact CB-CG 4.16Å; E25-K33 PolarHBondContact O-NZ 2.68Å; E25-R525 IonicContact OE1-CZ 2.62Å; E25-R525 IonicContact OE1-NH1 3.54Å; E25-R525 PolarHBondContact OE1-NH1 3.29Å; E25-R525 IonicContact OE1-NH2 3.41Å; E25-R525 PolarHBondContact OE1-NH2 2.96Å; E25-R525 IonicContact OE2-CZ 2.98Å; E25-R525 IonicContact OE2-NH2 3.39Å; E25-R525 PolarHBondContact OE2-NH2 3.25Å
26A73.4Confident81.3Confident65 Ų6546.2 Ų46.254%0.53729%0.292SS..THydrogen-bonded Turntrans-49-33.9-167.400000115.7S22 Y24 V28S22-A26 VanDerWaalsContact O-CB 3.23Å; S22-A26 WeakPolarHBondContact O-CB 3.37Å; Y24-A26 VanDerWaalsContact C-N 3.29Å; Y24-A26 PolarHBondContact O-N 3.25Å; A26-V28 VanDerWaalsContact C-N 3.34Å
27A73Confident82.4Confident105 Ų10545.8 Ų45.887%0.86829%0.285SS*.THydrogen-bonded Turntrans-81.3-8.4-179.800000114.5E25E25-A27 PolarHBondContact O-N 3.49Å
28V87.4Confident83.8Confident39 Ų3945.1 Ų45.124%0.23628%0.278CS..SBendtrans-102.3127-175.7-174.90000109.6E25 A26 E32 K33E25-V28 HydrophobicContact CB-CB 4.09Å; E25-V28 HydrophobicContact CB-CG2 4.12Å; E25-V28 WeakPolarHBondContact O-CB 3.43Å; E25-V28 PolarHBondContact O-N 2.69Å; A26-V28 VanDerWaalsContact C-N 3.34Å; V28-E32 HydrophobicContact CG1-CB 3.62Å; V28-K33 HydrophobicContact CB-CG 4.1Å; V28-K33 HydrophobicContact CG1-CG 4.02Å; V28-K33 WeakPolarHBondContact O-CE 3.47Å; V28-K33 PolarHBondContact O-NZ 3.48Å
29P92.1Very high84.8Confident38 Ų3842.5 Ų42.525%0.24727%0.268CS..  trans-57.4147.5173.8-23.833.9000112T31 E32 K33 M213P29-T31 PolarHBondContact O-N 3.28Å; P29-T31 VanDerWaalsContact O-N 3.1Å; P29-E32 WeakPolarHBondContact O-CA 2.98Å; P29-E32 PolarHBondContact O-N 2.9Å; P29-K33 WeakPolarHBondContact O-CG 3.27Å; P29-K33 PolarHBondContact O-N 2.99Å; P29-M213 HydrophobicContact CB-CB 4.16Å
30I94.6Very high85.8Confident1 Ų147.2 Ų47.21%0.00529%0.293CS..G310 helixtrans-49.4-43.6-177.9-59.6172.1000111.6W19 E32 K33 Y71 N209 P210 M213 A248 P251W19-I30 HydrophobicContact CE3-CG2 4.16Å; W19-I30 HydrophobicContact CZ3-CD1 4.04Å; W19-I30 HydrophobicContact CZ3-CG1 4.43Å; W19-I30 HydrophobicContact CZ3-CG2 4.04Å; I30-E32 PolarHBondContact O-N 3.34Å; I30-K33 PolarHBondContact O-N 2.81Å; I30-Y71 HydrophobicContact CD1-CD1 3.78Å; I30-Y71 HydrophobicContact CD1-CD2 4.46Å; I30-Y71 HydrophobicContact CD1-CE1 3.67Å; I30-Y71 HydrophobicContact CD1-CE2 4.36Å; I30-Y71 HydrophobicContact CD1-CG 4.19Å; I30-Y71 HydrophobicContact CG1-CE1 4.4Å; I30-N209 WeakPolarHBondContact CB-OD1 3.35Å; I30-N209 PolarHBondContact N-OD1 3.46Å; I30-P210 HydrophobicContact CD1-CG 4.19Å; I30-M213 HydrophobicContact CG1-SD 3.96Å; I30-A248 HydrophobicContact CD1-CB 3.93Å; I30-P251 WeakPolarHBondContact O-CA 3.35Å
31T95.5Very high86.9Confident8 Ų846 Ų465%0.04929%0.287CS..G310 helixtrans-65.9-17.5-179.158.80000114.7P29 V180 F208 N209 G256P29-T31 PolarHBondContact O-N 3.28Å; P29-T31 VanDerWaalsContact O-N 3.1Å; T31-V180 HydrophobicContact CG2-CG1 3.82Å; T31-F208 HydrophobicContact CG2-CB 4.4Å; T31-N209 PolarHBondContact N-OD1 2.95Å; T31-N209 VanDerWaalsContact N-OD1 3.16Å; T31-N209 PolarHBondContact OG1-ND2 3.15Å; T31-G256 VanDerWaalsContact O-CA 3.3Å; T31-G256 WeakPolarHBondContact O-CA 3.45Å; T31-G256 PolarHBondContact O-N 3.21Å
32E96.1Very high88Confident42 Ų4241.3 Ų41.320%0.19626%0.263CS..G310 helixtrans-108.2-8.5178.9-62.3-61.3144.700112.8V28 P29 I30 R518V28-E32 HydrophobicContact CG1-CB 3.62Å; P29-E32 WeakPolarHBondContact O-CA 2.98Å; P29-E32 PolarHBondContact O-N 2.9Å; I30-E32 PolarHBondContact O-N 3.34Å; E32-R518 IonicContact OE1-CZ 2.88Å; E32-R518 IonicContact OE1-NE 2.74Å; E32-R518 IonicContact OE1-NH2 3.44Å; E32-R518 PolarHBondContact OE1-NH2 2.88Å; E32-R518 IonicContact OE2-CZ 3.99Å; E32-R518 IonicContact OE2-NE 2.93Å; E32-R518 PolarHBondContact OE2-NE 3.05Å; E32-R518 IonicContact OE2-NH2 3.82Å; E32-R518 PolarHBondContact OE2-NH2 3.38Å
33K95.3Very high89.7Confident1 Ų142.1 Ų42.10%0.00426%0.255CS..SBendtrans-65.9151.9176.3-71178.9-165.3-710110.7Y24 E25 V28 P29 I30 P251Y24-K33 HydrophobicContact CD1-CD 4.22Å; Y24-K33 PolarHBondContact O-NZ 3.42Å; E25-K33 VanDerWaalsContact C-NZ 3.31Å; E25-K33 HydrophobicContact CB-CG 4.16Å; E25-K33 PolarHBondContact O-NZ 2.68Å; V28-K33 HydrophobicContact CB-CG 4.1Å; V28-K33 HydrophobicContact CG1-CG 4.02Å; V28-K33 WeakPolarHBondContact O-CE 3.47Å; V28-K33 PolarHBondContact O-NZ 3.48Å; P29-K33 WeakPolarHBondContact O-CG 3.27Å; P29-K33 PolarHBondContact O-N 2.99Å; I30-K33 PolarHBondContact O-N 2.81Å; K33-P251 HydrophobicContact CB-CB 4.03Å; K33-P251 VanDerWaalsContact O-CB 3.26Å; K33-P251 WeakPolarHBondContact O-CB 3.18Å
34S95.9Very high91.2Very high5 Ų539.8 Ų39.84%0.03523%0.229CC..PPolyproline II helixtrans-67.9137.6165.5-1780000110.5Y24 S255 N503Y24-S34 WeakPolarHBondContact CE1-O 3.46Å; Y24-S34 PolarHBondContact OH-O 2.75Å; S34-S255 WeakPolarHBondContact CA-OG 3.38Å; S34-N503 PolarHBondContact OG-ND2 3.31Å; S34-N503 PolarHBondContact OG-OD1 3.26Å
35N96.1Very high92.6Very high0 Ų042 Ų420%024%0.244CC..PPolyproline II helixtrans-81.1124.1171-170.6-47.4000109.6L37 T38 E59 P251 E252 N503N35-L37 PolarHBondContact O-N 3.04Å; N35-L37 WeakPolarHBondContact OD1-CB 3.31Å; N35-L37 PolarHBondContact OD1-N 3.22Å; N35-T38 PolarHBondContact O-N 3.16Å; N35-T38 PolarHBondContact O-OG1 3.4Å; N35-E59 PolarHBondContact ND2-OE2 3.16Å; N35-P251 HydrophobicContact CB-CB 4.05Å; N35-P251 HydrophobicContact CB-CG 3.84Å; N35-P251 PolarHBondContact ND2-O 2.96Å; N35-E252 VanDerWaalsContact CB-O 3.24Å; N35-E252 WeakPolarHBondContact CB-O 3.48Å; N35-N503 PolarHBondContact N-ND2 3.23Å; N35-N503 PolarHBondContact O-ND2 3Å
36P93.7Very high93.6Very high30 Ų3040.1 Ų40.120%0.19524%0.236CC..G310 helixtrans-65.1-20.6-176.926.8-35.7000113.7K18 T38K18-P36 HydrophobicContact CB-CG 4.46Å; P36-T38 VanDerWaalsContact C-N 3.32Å
37L93.9Very high94.8Very high72 Ų7241.1 Ų41.138%0.37723%0.229SC..G310 helixtrans-76-20.3178.5-60.3178.7000112.9P14 N35 L52P14-L37 HydrophobicContact CB-CD1 4.46Å; N35-L37 PolarHBondContact O-N 3.04Å; N35-L37 WeakPolarHBondContact OD1-CB 3.31Å; N35-L37 PolarHBondContact OD1-N 3.22Å; L37-L52 VanDerWaalsContact O-CD2 3.25Å; L37-L52 WeakPolarHBondContact O-CD2 3.42Å
38T97.6Very high96Very high0 Ų039.3 Ų39.30%020%0.203CC..G310 helixtrans-118.521.1-166.564.50000113.8N35 P36 D40 L41 L52 C56 G253 N503N35-T38 PolarHBondContact O-N 3.16Å; N35-T38 PolarHBondContact O-OG1 3.4Å; P36-T38 VanDerWaalsContact C-N 3.32Å; T38-D40 PolarHBondContact O-N 2.95Å; T38-D40 VanDerWaalsContact O-N 3.16Å; T38-L41 WeakPolarHBondContact O-CB 3.46Å; T38-L41 PolarHBondContact O-N 2.82Å; T38-L52 HydrophobicContact CG2-CB 4.15Å; T38-L52 HydrophobicContact CG2-CD2 4.42Å; T38-C56 WeakPolarHBondContact CG2-SG 3.43Å; T38-G253 WeakPolarHBondContact CB-O 3.42Å; T38-G253 PolarHBondContact OG1-O 3.08Å; T38-N503 WeakPolarHBondContact O-CB 3.33Å; T38-N503 PolarHBondContact OG1-ND2 2.9Å
39Q96.1Very high96.6Very high98 Ų9837.4 Ų37.446%0.45819%0.191SC..THydrogen-bonded Turntrans-59.4-30.7-175.2-65.1-168.93.100114.2Q502Q39-Q502 CarbonylContact O-C 3.59Å; Q39-Q502 WeakPolarHBondContact O-CA 3.28Å; Q39-Q502 VanDerWaalsContact O-CB 3.26Å; Q39-Q502 WeakPolarHBondContact O-CB 3.49Å
40D96.9Very high96.9Very high99 Ų9935.7 Ų35.753%0.52918%0.18SC..THydrogen-bonded Turntrans-101.224176.9-71.3-60.8000112.9T38 D42 K43 A44T38-D40 PolarHBondContact O-N 2.95Å; T38-D40 VanDerWaalsContact O-N 3.16Å; D40-D42 PolarHBondContact O-N 3.14Å; D40-K43 PolarHBondContact O-N 2.85Å; D40-K43 VanDerWaalsContact O-N 3.09Å; D40-K43 IonicContact OD1-NZ 3.74Å; D40-K43 PolarHBondContact OD1-NZ 3.49Å; D40-A44 PolarHBondContact O-N 3.24Å
41L98.4Very high97.1Very high0 Ų040.5 Ų40.50%020%0.198CC..G310 helixtrans-57.2-35179.1-176.966.4000112.1T38 K43 A44 I49 L52 L53 V495 I500 N503T38-L41 WeakPolarHBondContact O-CB 3.46Å; T38-L41 PolarHBondContact O-N 2.82Å; L41-K43 PolarHBondContact O-N 3.03Å; L41-A44 PolarHBondContact O-N 2.98Å; L41-I49 HydrophobicContact CD1-CB 4.43Å; L41-I49 HydrophobicContact CD1-CG1 4.01Å; L41-I49 HydrophobicContact CD1-CG2 4.25Å; L41-L52 HydrophobicContact CD1-CB 4.4Å; L41-L52 HydrophobicContact CD1-CD1 3.93Å; L41-L53 HydrophobicContact CD2-CD2 4.36Å; L41-V495 HydrophobicContact CD2-CG2 4.48Å; L41-V495 HydrophobicContact CG-CG1 4.42Å; L41-V495 HydrophobicContact CG-CG2 4.44Å; L41-V495 WeakPolarHBondContact O-CG1 3.27Å; L41-I500 HydrophobicContact CB-CD1 4.2Å; L41-I500 HydrophobicContact CD2-CD1 3.87Å; L41-I500 HydrophobicContact CG-CD1 3.88Å; L41-N503 HydrophobicContact CB-CB 4.5Å
42D97.9Very high97.2Very high18 Ų1840.5 Ų40.510%0.09620%0.198CC..G310 helixtrans-62.9-16177.865.5-20.7000115.1D40 I500 Q502D40-D42 PolarHBondContact O-N 3.14Å; D42-I500 HydrophobicContact CB-CD1 4.24Å; D42-I500 HydrophobicContact CB-CG1 3.97Å; D42-Q502 WeakPolarHBondContact CB-O 3.46Å; D42-Q502 PolarHBondContact N-O 3.21Å; D42-Q502 VanDerWaalsContact N-O 3.08Å; D42-Q502 PolarHBondContact OD2-N 2.97Å
43K95.7Very high97.3Very high113 Ų11338.8 Ų38.849%0.49119%0.19SC..G310 helixtrans-114.5-4.4178.9-61.9170.4-150.2145.20113.3D40 L41D40-K43 PolarHBondContact O-N 2.85Å; D40-K43 VanDerWaalsContact O-N 3.09Å; D40-K43 IonicContact OD1-NZ 3.74Å; D40-K43 PolarHBondContact OD1-NZ 3.49Å; L41-K43 PolarHBondContact O-N 3.03Å
44A98.3Very high97.5Very high14 Ų1439 Ų3912%0.11619%0.193CC..  trans-68.8142.9-176.800000111D40 L41 E48 I49 L52D40-A44 PolarHBondContact O-N 3.24Å; L41-A44 PolarHBondContact O-N 2.98Å; A44-E48 HydrophobicContact CB-CB 4Å; A44-E48 HydrophobicContact CB-CG 3.76Å; A44-I49 HydrophobicContact CB-CG1 3.7Å; A44-L52 HydrophobicContact CB-CD1 4.2Å
45D98.6Very high97.6Very high94 Ų9441.9 Ų41.950%0.50321%0.206SC..  trans-74.5172.216767.725.4000110.9E47 E48 I49D45-E47 VanDerWaalsContact C-N 3.32Å; D45-E47 PolarHBondContact O-N 3.18Å; D45-E47 PolarHBondContact OD1-N 2.97Å; D45-E48 PolarHBondContact O-N 3.12Å; D45-E48 WeakPolarHBondContact OD1-CB 3.49Å; D45-E48 PolarHBondContact OD1-N 3.29Å; D45-I49 WeakPolarHBondContact O-CG1 3.41Å; D45-I49 PolarHBondContact O-N 3.44Å
46A98.6Very high97.7Very high1 Ų142 Ų421%0.00821%0.206CC..Hα-helixtrans-62-39.2-173.200000113I49 V50 A314 M317 K318 L496A46-I49 PolarHBondContact O-N 3.48Å; A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 2.99Å; A46-A314 HydrophobicContact CB-CB 4.15Å; A46-M317 HydrophobicContact CB-SD 3.71Å; A46-K318 HydrophobicContact CB-CD 4.19Å; A46-K318 HydrophobicContact CB-CG 3.73Å; A46-L496 HydrophobicContact CB-CD1 4.14Å
47E98.7Very high97.9Very high86 Ų8641 Ų4140%0.40220%0.199SC..Hα-helixtrans-62.9-45.3178.1-71.876.8-174.400110.9D45 V50 R51 A314 K318D45-E47 VanDerWaalsContact C-N 3.32Å; D45-E47 PolarHBondContact O-N 3.18Å; D45-E47 PolarHBondContact OD1-N 2.97Å; E47-V50 PolarHBondContact O-N 3.2Å; E47-R51 PolarHBondContact O-N 3.07Å; E47-A314 HydrophobicContact CG-CB 4.03Å; E47-K318 IonicContact OE1-NZ 3.85Å; E47-K318 PolarHBondContact OE1-NZ 2.86Å; E47-K318 WeakPolarHBondContact OE2-CE 3.27Å; E47-K318 IonicContact OE2-NZ 2.88Å; E47-K318 PolarHBondContact OE2-NZ 3.05Å
48E98.6Very high98.1Very high66 Ų6637.8 Ų37.831%0.30818%0.183SC..Hα-helixtrans-66.7-39.6176.7-176.865.8178.400111.9A44 D45 V50 R51 L52A44-E48 HydrophobicContact CB-CB 4Å; A44-E48 HydrophobicContact CB-CG 3.76Å; D45-E48 PolarHBondContact O-N 3.12Å; D45-E48 WeakPolarHBondContact OD1-CB 3.49Å; D45-E48 PolarHBondContact OD1-N 3.29Å; E48-V50 PolarHBondContact O-N 3.42Å; E48-R51 WeakPolarHBondContact O-CB 3.4Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 IonicContact OE1-CZ 3.8Å; E48-R51 IonicContact OE1-NE 3.53Å; E48-R51 PolarHBondContact OE1-NE 2.79Å; E48-R51 IonicContact OE1-NH2 2.8Å; E48-R51 PolarHBondContact OE1-NH2 2.98Å; E48-R51 IonicContact OE2-CZ 3.41Å; E48-R51 IonicContact OE2-NE 2.84Å; E48-R51 PolarHBondContact OE2-NE 3.4Å; E48-R51 IonicContact OE2-NH2 3.28Å; E48-L52 HydrophobicContact CG-CD1 4.04Å; E48-L52 HydrophobicContact CG-CG 4.32Å; E48-L52 WeakPolarHBondContact O-CB 3.5Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.35Å; E48-L52 PolarHBondContact O-N 3.23Å
49I98.9Very high98Very high0 Ų037.8 Ų37.80%018%0.183CC..Hα-helixtrans-58.2-47.6173.5-68.9164.2000110.5L41 A44 D45 A46 R51 L52 L53 M317 V495 L496L41-I49 HydrophobicContact CD1-CB 4.43Å; L41-I49 HydrophobicContact CD1-CG1 4.01Å; L41-I49 HydrophobicContact CD1-CG2 4.25Å; A44-I49 HydrophobicContact CB-CG1 3.7Å; D45-I49 WeakPolarHBondContact O-CG1 3.41Å; D45-I49 PolarHBondContact O-N 3.44Å; A46-I49 PolarHBondContact O-N 3.48Å; I49-R51 VanDerWaalsContact C-N 3.29Å; I49-R51 PolarHBondContact O-N 3.12Å; I49-L52 PolarHBondContact O-N 3.42Å; I49-L53 HydrophobicContact CG2-CD1 3.79Å; I49-L53 HydrophobicContact CG2-CG 4.21Å; I49-L53 WeakPolarHBondContact O-CB 3.41Å; I49-L53 WeakPolarHBondContact O-CG 3.47Å; I49-L53 PolarHBondContact O-N 2.93Å; I49-M317 HydrophobicContact CB-CE 4.12Å; I49-M317 HydrophobicContact CB-SD 4.16Å; I49-M317 HydrophobicContact CD1-SD 4.17Å; I49-M317 HydrophobicContact CG2-CE 3.65Å; I49-M317 HydrophobicContact CG2-SD 4.03Å; I49-V495 HydrophobicContact CD1-CB 4.08Å; I49-V495 HydrophobicContact CD1-CG1 3.79Å; I49-V495 HydrophobicContact CG1-CG1 4.41Å; I49-L496 HydrophobicContact CD1-CD2 3.89Å; I49-L496 HydrophobicContact CD1-CG 3.98Å
50V98.8Very high98.1Very high1 Ų133.2 Ų33.21%0.00616%0.162CC..Hα-helixtrans-59.9-42.5177.4175.10000110.7A46 E47 E48 G54 Y307 S310 I313 A314 M317 T488A46-V50 WeakPolarHBondContact O-CG2 3.48Å; A46-V50 PolarHBondContact O-N 2.99Å; E47-V50 PolarHBondContact O-N 3.2Å; E48-V50 PolarHBondContact O-N 3.42Å; V50-G54 PolarHBondContact O-N 2.89Å; V50-Y307 HydrophobicContact CG1-CD1 4.11Å; V50-Y307 HydrophobicContact CG1-CE1 4.25Å; V50-S310 WeakPolarHBondContact CG1-OG 3.46Å; V50-I313 HydrophobicContact CG1-CB 4.39Å; V50-I313 HydrophobicContact CG1-CG2 4.29Å; V50-I313 HydrophobicContact CG2-CB 4.22Å; V50-I313 HydrophobicContact CG2-CG2 3.77Å; V50-A314 HydrophobicContact CG2-CB 3.93Å; V50-M317 HydrophobicContact CG2-CE 3.53Å; V50-T488 HydrophobicContact CB-CG2 4.31Å; V50-T488 HydrophobicContact CG1-CG2 4.46Å; V50-T488 HydrophobicContact CG2-CG2 3.82Å
51R98.7Very high98.1Very high102 Ų10228.5 Ų28.539%0.38514%0.136SC..Hα-helixtrans-61.5-49.2177.8-169.1-16868.369.5-1.9111.6E47 E48 I49 Q55E47-R51 PolarHBondContact O-N 3.07Å; E48-R51 WeakPolarHBondContact O-CB 3.4Å; E48-R51 PolarHBondContact O-N 2.96Å; E48-R51 IonicContact OE1-CZ 3.8Å; E48-R51 IonicContact OE1-NE 3.53Å; E48-R51 PolarHBondContact OE1-NE 2.79Å; E48-R51 IonicContact OE1-NH2 2.8Å; E48-R51 PolarHBondContact OE1-NH2 2.98Å; E48-R51 IonicContact OE2-CZ 3.41Å; E48-R51 IonicContact OE2-NE 2.84Å; E48-R51 PolarHBondContact OE2-NE 3.4Å; E48-R51 IonicContact OE2-NH2 3.28Å; I49-R51 VanDerWaalsContact C-N 3.29Å; I49-R51 PolarHBondContact O-N 3.12Å; R51-Q55 WeakPolarHBondContact O-CG 3.45Å; R51-Q55 PolarHBondContact O-N 2.95Å
52L98.7Very high97.6Very high9 Ų928.8 Ų28.85%0.04714%0.138CC..Hα-helixtrans-63.7-48.8-178.1-73.5175.2000112.1L37 T38 L41 A44 E48 I49 Q55 C56L37-L52 VanDerWaalsContact O-CD2 3.25Å; L37-L52 WeakPolarHBondContact O-CD2 3.42Å; T38-L52 HydrophobicContact CG2-CB 4.15Å; T38-L52 HydrophobicContact CG2-CD2 4.42Å; L41-L52 HydrophobicContact CD1-CB 4.4Å; L41-L52 HydrophobicContact CD1-CD1 3.93Å; A44-L52 HydrophobicContact CB-CD1 4.2Å; E48-L52 HydrophobicContact CG-CD1 4.04Å; E48-L52 HydrophobicContact CG-CG 4.32Å; E48-L52 WeakPolarHBondContact O-CB 3.5Å; E48-L52 VanDerWaalsContact O-CG 3.27Å; E48-L52 WeakPolarHBondContact O-CG 3.35Å; E48-L52 PolarHBondContact O-N 3.23Å; I49-L52 PolarHBondContact O-N 3.42Å; L52-Q55 PolarHBondContact O-N 3.04Å; L52-C56 PolarHBondContact O-N 3.41Å; L52-C56 PolarHBondContact O-SG 2.97Å
53L98.7Very high97Very high5 Ų529.6 Ų29.63%0.02614%0.141CC..Hα-helixtrans-68.7-37.8179.2-63.2-176.6000111.6L41 I49 Q55 C56 D57 M260 T488 T491L41-L53 HydrophobicContact CD2-CD2 4.36Å; I49-L53 HydrophobicContact CG2-CD1 3.79Å; I49-L53 HydrophobicContact CG2-CG 4.21Å; I49-L53 WeakPolarHBondContact O-CB 3.41Å; I49-L53 WeakPolarHBondContact O-CG 3.47Å; I49-L53 PolarHBondContact O-N 2.93Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.19Å; L53-C56 WeakPolarHBondContact O-CB 3.42Å; L53-C56 PolarHBondContact O-N 2.88Å; L53-C56 VanDerWaalsContact O-N 3.17Å; L53-D57 PolarHBondContact O-N 3.39Å; L53-M260 HydrophobicContact CD2-CE 4.35Å; L53-T488 HydrophobicContact CB-CG2 4.49Å; L53-T488 HydrophobicContact CD1-CG2 4.25Å; L53-T491 HydrophobicContact CD1-CG2 3.94Å
54G98.4Very high96Very high6 Ų626.4 Ų26.46%0.06213%0.128CC..Hα-helixtrans-62-37.7172.900000113.3V50 D57 A58 H303 Y307V50-G54 PolarHBondContact O-N 2.89Å; G54-D57 PolarHBondContact O-N 2.88Å; G54-A58 PolarHBondContact O-N 2.95Å; G54-A58 VanDerWaalsContact O-N 3.14Å; G54-H303 PolarHBondContact O-NE2 3.3Å; G54-Y307 VanDerWaalsContact CA-CE1 3.49Å
55Q97.8Very high94.4Very high66 Ų6626.9 Ų26.931%0.30813%0.134SC..Hα-helixtrans-65.5-42172.1-76.7-180-12.300112.1P14 R51 L52 L53 D57 A58 E59P14-Q55 HydrophobicContact CG-CB 4.3Å; R51-Q55 WeakPolarHBondContact O-CG 3.45Å; R51-Q55 PolarHBondContact O-N 2.95Å; L52-Q55 PolarHBondContact O-N 3.04Å; L53-Q55 VanDerWaalsContact C-N 3.33Å; L53-Q55 PolarHBondContact O-N 3.19Å; Q55-D57 VanDerWaalsContact C-N 3.35Å; Q55-D57 PolarHBondContact O-N 3.33Å; Q55-A58 WeakPolarHBondContact O-CB 3.3Å; Q55-A58 PolarHBondContact O-N 3.34Å; Q55-A58 VanDerWaalsContact O-N 3.12Å; Q55-E59 PolarHBondContact O-N 3.47Å
56C98.1Very high92.3Very high2 Ų229 Ų291%0.01414%0.141CC..Hα-helixtrans-61.3-41.6176.3-67.70000112.1T38 L52 L53 A58 E59 G253 K261T38-C56 WeakPolarHBondContact CG2-SG 3.43Å; L52-C56 PolarHBondContact O-N 3.41Å; L52-C56 PolarHBondContact O-SG 2.97Å; L53-C56 WeakPolarHBondContact O-CB 3.42Å; L53-C56 PolarHBondContact O-N 2.88Å; L53-C56 VanDerWaalsContact O-N 3.17Å; C56-A58 VanDerWaalsContact C-N 3.29Å; C56-A58 PolarHBondContact O-N 2.89Å; C56-E59 WeakPolarHBondContact O-CB 3.3Å; C56-E59 PolarHBondContact O-N 3.02Å; C56-G253 VanDerWaalsContact SG-CA 3.53Å; C56-K261 HydrophobicContact CB-CD 4.11Å; C56-K261 VanDerWaalsContact O-CD 3.24Å; C56-K261 WeakPolarHBondContact O-CD 3.44Å; C56-K261 WeakPolarHBondContact O-CE 3.49Å
57D98.6Very high90Very high9 Ų933.2 Ų33.25%0.04818%0.176CC..Hα-helixtrans-62.7-35.2173.7-82.7-46.3000112.4L53 G54 Q55 E59 I60 Y307 W484L53-D57 PolarHBondContact O-N 3.39Å; G54-D57 PolarHBondContact O-N 2.88Å; Q55-D57 VanDerWaalsContact C-N 3.35Å; Q55-D57 PolarHBondContact O-N 3.33Å; D57-E59 VanDerWaalsContact C-N 3.25Å; D57-E59 PolarHBondContact O-N 3.36Å; D57-I60 WeakPolarHBondContact O-CB 3.31Å; D57-I60 WeakPolarHBondContact O-CG1 3.33Å; D57-I60 PolarHBondContact O-N 2.78Å; D57-Y307 HydrophobicContact CB-CE2 4.27Å; D57-Y307 PolarHBondContact OD2-OH 3.14Å; D57-W484 VanDerWaalsContact OD1-CD1 3.22Å; D57-W484 PolarHBondContact OD1-NE1 2.78Å; D57-W484 PolarHBondContact OD2-NE1 3.09Å
58A97.6Very high87.8Confident4 Ų435.8 Ų35.83%0.03319%0.191CC..Hα-helixtrans-66.3-26.8176.700000112.6I11 G54 Q55 C56 I60 F61I11-A58 HydrophobicContact CD1-CB 4.09Å; G54-A58 PolarHBondContact O-N 2.95Å; G54-A58 VanDerWaalsContact O-N 3.14Å; Q55-A58 WeakPolarHBondContact O-CB 3.3Å; Q55-A58 PolarHBondContact O-N 3.34Å; Q55-A58 VanDerWaalsContact O-N 3.12Å; C56-A58 VanDerWaalsContact C-N 3.29Å; C56-A58 PolarHBondContact O-N 2.89Å; A58-I60 PolarHBondContact O-N 3.01Å; A58-I60 VanDerWaalsContact O-N 3.15Å; A58-F61 PolarHBondContact O-N 3.22Å
59E96.6Very high85.9Confident1 Ų136.7 Ų36.71%0.00520%0.203CC..G310 helixtrans-61.8-21.2177.8-62.7178.7135.500113.1P14 N35 Q55 C56 D57 F61 Q62 R73 K261P14-E59 HydrophobicContact CG-CG 4.36Å; N35-E59 PolarHBondContact ND2-OE2 3.16Å; Q55-E59 PolarHBondContact O-N 3.47Å; C56-E59 WeakPolarHBondContact O-CB 3.3Å; C56-E59 PolarHBondContact O-N 3.02Å; D57-E59 VanDerWaalsContact C-N 3.25Å; D57-E59 PolarHBondContact O-N 3.36Å; E59-F61 PolarHBondContact O-N 3.1Å; E59-Q62 PolarHBondContact O-N 3.23Å; E59-R73 PolarHBondContact O-NH2 3.01Å; E59-K261 IonicContact OE2-NZ 3.69Å; E59-K261 PolarHBondContact OE2-NZ 3.4Å
60I97.5Very high84.5Confident1 Ų140 Ų401%0.00522%0.224CC..G310 helixtrans-59-33.3173.9-60.6170.1000110.7D57 A58 L74 I249 K261 A265 I268D57-I60 WeakPolarHBondContact O-CB 3.31Å; D57-I60 WeakPolarHBondContact O-CG1 3.33Å; D57-I60 PolarHBondContact O-N 2.78Å; A58-I60 PolarHBondContact O-N 3.01Å; A58-I60 VanDerWaalsContact O-N 3.15Å; I60-L74 HydrophobicContact CG2-CD2 4.04Å; I60-I249 HydrophobicContact CG1-CB 4.46Å; I60-I249 HydrophobicContact CG2-CG2 4.4Å; I60-K261 HydrophobicContact CD1-CB 4Å; I60-K261 HydrophobicContact CD1-CG 4.32Å; I60-K261 HydrophobicContact CG1-CB 4.07Å; I60-K261 HydrophobicContact CG1-CG 4.32Å; I60-A265 HydrophobicContact CD1-CB 4.39Å; I60-A265 HydrophobicContact CG2-CB 3.93Å; I60-I268 HydrophobicContact CG2-CD1 4.29Å
61F96.1Very high83.8Confident0 Ų041.2 Ų41.20%023%0.228CC..G310 helixtrans-96.45.1-175.2-54.6-72.3000113.6H9 I11 T13 A58 E59 L74 Y75 I268 F299 E300 H303 W484H9-F61 PolarHBondContact CE1-O 3.23Å; H9-F61 VanDerWaalsContact CE1-O 3.3Å; I11-F61 HydrophobicContact CD1-CD2 3.95Å; T13-F61 HydrophobicContact CG2-CB 4.27Å; A58-F61 PolarHBondContact O-N 3.22Å; E59-F61 PolarHBondContact O-N 3.1Å; F61-L74 HydrophobicContact CD1-CD2 4.33Å; F61-Y75 HydrophobicContact CB-CE2 3.95Å; F61-Y75 HydrophobicContact CD1-CE2 4.3Å; F61-Y75 WeakPolarHBondContact CD1-OH 3.34Å; F61-Y75 WeakPolarHBondContact O-CD2 3.44Å; F61-Y75 WeakPolarHBondContact O-CE2 3.48Å; F61-I268 HydrophobicContact CE1-CD1 3.96Å; F61-I268 HydrophobicContact CZ-CD1 3.66Å; F61-F299 HydrophobicContact CE1-CB 4.14Å; F61-F299 HydrophobicContact CZ-CB 4.16Å; F61-E300 HydrophobicContact CD1-CB 4.33Å; F61-E300 HydrophobicContact CE1-CB 4.41Å; F61-E300 HydrophobicContact CG-CG 4.32Å; F61-H303 HydrophobicContact CE2-CB 4.2Å; F61-W484 HydrophobicContact CE2-CH2 4.14Å; F61-W484 HydrophobicContact CE2-CZ2 4.12Å; F61-W484 HydrophobicContact CZ-CH2 4.14Å; F61-W484 HydrophobicContact CZ-CZ2 4.27Å
62Q89.3Confident83.4Confident6 Ų640.2 Ų40.23%0.02823%0.228CC..PPolyproline II helixtrans-67136.5175.1-78.2169.8-18.900111.1T13 P14 E59 R73T13-Q62 VanDerWaalsContact CB-CG 3.49Å; T13-Q62 HydrophobicContact CG2-CG 3.97Å; P14-Q62 PolarHBondContact O-NE2 3.22Å; E59-Q62 PolarHBondContact O-N 3.23Å; Q62-R73 WeakPolarHBondContact O-CB 3.4Å
63E83.8Confident83.2Confident35 Ų3539.8 Ų39.816%0.16423%0.226CC..PPolyproline II helixtrans-75.1165.9168.7-60.7-172.5149.500111.7K5 R6 F7 H9 Y75K5-E63 WeakPolarHBondContact CA-OE2 3.47Å; R6-E63 PolarHBondContact N-OE1 3.33Å; R6-E63 PolarHBondContact N-OE2 3.14Å; F7-E63 WeakPolarHBondContact CA-OE1 3.35Å; F7-E63 VanDerWaalsContact CB-OE1 3.24Å; F7-E63 WeakPolarHBondContact CB-OE1 3.48Å; F7-E63 WeakPolarHBondContact CD2-OE1 3.48Å; F7-E63 PolarHBondContact N-OE1 3.27Å; H9-E63 IonicContact CD2-OE1 3.93Å; H9-E63 WeakPolarHBondContact NE2-CG 3.46Å; H9-E63 IonicContact NE2-OE1 3.01Å; H9-E63 PolarHBondContact NE2-OE1 2.93Å; E63-Y75 HydrophobicContact CG-CD2 4.37Å
64E76.3Confident83Confident47 Ų4739.7 Ų39.722%0.2223%0.225CC..PPolyproline II helixtrans-69.2130172.9-170166.7-161.400110.4P69 Q72 R73 S76E64-P69 HydrophobicContact CG-CB 3.82Å; E64-P69 WeakPolarHBondContact OE1-CB 3.32Å; E64-Q72 PolarHBondContact OE1-NE2 3.39Å; E64-R73 HydrophobicContact CB-CG 4.06Å; E64-S76 PolarHBondContact OE2-OG 3.03Å
65G63.9Low82.8Confident23 Ų2339.7 Ų39.724%0.23722%0.223CC..PPolyproline II helixtrans-64.7136.4178.800000112.2A67G65-A67 PolarHBondContact O-N 3.4Å
66Q54.7Low82.6Confident139 Ų13936.7 Ų36.765%0.6521%0.21SC*.SBendtrans-66.8-20.1-178.1-67.6-172.9-4.800114.3T4T4-Q66 PolarHBondContact O-NE2 2.91Å; T4-Q66 PolarHBondContact OG1-NE2 3.01Å; T4-Q66 VanDerWaalsContact OG1-NE2 3.12Å
67A49.9Very low82.4Confident90 Ų9041.1 Ų41.174%0.74423%0.23SC*.SBendtrans-90.9-31.5-168.300000114.8G65G65-A67 PolarHBondContact O-N 3.4Å
68L53.1Low82.2Confident139 Ų13943 Ų4373%0.72824%0.244SC*.  trans-157.690176.8-87117.7000110.4T70L68-T70 VanDerWaalsContact C-N 3.34Å; L68-T70 PolarHBondContact O-N 2.85Å; L68-T70 PolarHBondContact O-OG1 3.33Å
69P59.3Low82.3Confident86 Ų8643 Ų4356%0.55824%0.243SC*.  trans-69.788.5177.826-30.9000110.5E64E64-P69 HydrophobicContact CG-CB 3.82Å; E64-P69 WeakPolarHBondContact OE1-CB 3.32Å
70T68.4Low82.3Confident70 Ų7043 Ų4343%0.42924%0.243SC..  trans-87.3-30.5178.7-48.20000111.4L68L68-T70 VanDerWaalsContact C-N 3.34Å; L68-T70 PolarHBondContact O-N 2.85Å; L68-T70 PolarHBondContact O-OG1 3.33Å
71Y84.5Confident82.4Confident26 Ų2645.4 Ų45.410%0.10226%0.258CS..SBendtrans-135.2136.2-176.8-61.1-67.4000112.2W19 E20 I30 R73 P210 M213 A248W19-Y71 HydrophobicContact CE3-CE2 4.4Å; W19-Y71 HydrophobicContact CH2-CD2 4.32Å; W19-Y71 AromaticContact CZ3-CD2 3.72Å; W19-Y71 HydrophobicContact CZ3-CD2 3.72Å; W19-Y71 AromaticContact CZ3-CE2 3.98Å; W19-Y71 HydrophobicContact CZ3-CE2 3.98Å; W19-Y71 HydrophobicContact CZ3-CG 4.41Å; E20-Y71 WeakPolarHBondContact O-CE2 3.49Å; I30-Y71 HydrophobicContact CD1-CD1 3.78Å; I30-Y71 HydrophobicContact CD1-CD2 4.46Å; I30-Y71 HydrophobicContact CD1-CE1 3.67Å; I30-Y71 HydrophobicContact CD1-CE2 4.36Å; I30-Y71 HydrophobicContact CD1-CG 4.19Å; I30-Y71 HydrophobicContact CG1-CE1 4.4Å; Y71-R73 PolarHBondContact O-N 2.59Å; Y71-P210 HydrophobicContact CD1-CG 3.77Å; Y71-P210 HydrophobicContact CE1-CG 3.66Å; Y71-M213 HydrophobicContact CE1-CE 4.29Å; Y71-M213 WeakPolarHBondContact OH-CE 3.5Å; Y71-A248 HydrophobicContact CD1-CB 4.5Å; Y71-A248 HydrophobicContact CG-CB 4.17Å
72Q90.6Very high82.5Confident80 Ų8046 Ų4637%0.37426%0.262SS..  trans-71.3122.2174.4-60.9-62.5-56.800109.8E64 S78 I79 P247 A248E64-Q72 PolarHBondContact OE1-NE2 3.39Å; Q72-S78 PolarHBondContact OE1-OG 3.23Å; Q72-I79 HydrophobicContact CB-CD1 4.38Å; Q72-I79 HydrophobicContact CB-CG1 4.18Å; Q72-P247 CarbonylContact O-C 3.57Å; Q72-P247 WeakPolarHBondContact O-CA 3.26Å; Q72-A248 PolarHBondContact O-N 3.29Å
73R93.7Very high82.9Confident1 Ų145.7 Ų45.70%0.00426%0.26CS..  trans-96.1174.3-178.6-56.1-67.1-79.6167.8-14.3111.2W19 E59 Q62 E64 Y71 Y75 S76 I79 A248 I249W19-R73 VanDerWaalsContact CZ2-NH1 3.25Å; E59-R73 PolarHBondContact O-NH2 3.01Å; Q62-R73 WeakPolarHBondContact O-CB 3.4Å; E64-R73 HydrophobicContact CB-CG 4.06Å; Y71-R73 PolarHBondContact O-N 2.59Å; R73-Y75 VanDerWaalsContact C-N 3.25Å; R73-Y75 PolarHBondContact O-N 2.88Å; R73-S76 PolarHBondContact N-OG 3.08Å; R73-S76 VanDerWaalsContact O-CB 3.3Å; R73-S76 WeakPolarHBondContact O-CB 3.49Å; R73-S76 PolarHBondContact O-N 3.02Å; R73-S76 PolarHBondContact O-OG 3.48Å; R73-I79 VanDerWaalsContact O-CG1 3.32Å; R73-I79 WeakPolarHBondContact O-CG1 3.49Å; R73-A248 WeakPolarHBondContact CD-O 3.35Å; R73-A248 VanDerWaalsContact NH1-C 3.28Å; R73-A248 PolarHBondContact NH1-O 2.74Å; R73-I249 VanDerWaalsContact NH1-CA 3.29Å
74L95.5Very high83.6Confident3 Ų345.9 Ų45.92%0.01626%0.264CS..THydrogen-bonded Turntrans-55.1-40.4-178.8-179.360.7000113I60 F61 I79 P247 I268 L269 L296I60-L74 HydrophobicContact CG2-CD2 4.04Å; F61-L74 HydrophobicContact CD1-CD2 4.33Å; L74-I79 WeakPolarHBondContact O-CG2 3.49Å; L74-P247 HydrophobicContact CD1-CG 4.49Å; L74-I268 HydrophobicContact CD2-CG2 4.43Å; L74-L269 HydrophobicContact CD1-CD1 3.92Å; L74-L296 HydrophobicContact CD2-CD2 4.2Å
75Y94.4Very high84.7Confident6 Ų646.4 Ų46.42%0.02427%0.266CS..THydrogen-bonded Turntrans-87.91.5179.9-63.6-68.4000114F7 H9 F61 E63 R73 L293 L296F7-Y75 VanDerWaalsContact CE2-O 3.31Å; F7-Y75 WeakPolarHBondContact CE2-O 3.44Å; H9-Y75 AromaticContact CE1-CD2 3.7Å; H9-Y75 AromaticContact CE1-CE2 3.44Å; H9-Y75 VanDerWaalsContact CE1-CE2 3.44Å; H9-Y75 WeakPolarHBondContact CE1-CE2 3.36Å; H9-Y75 AromaticContact CE1-CZ 3.97Å; F61-Y75 HydrophobicContact CB-CE2 3.95Å; F61-Y75 HydrophobicContact CD1-CE2 4.3Å; F61-Y75 WeakPolarHBondContact CD1-OH 3.34Å; F61-Y75 WeakPolarHBondContact O-CD2 3.44Å; F61-Y75 WeakPolarHBondContact O-CE2 3.48Å; E63-Y75 HydrophobicContact CG-CD2 4.37Å; R73-Y75 VanDerWaalsContact C-N 3.25Å; R73-Y75 PolarHBondContact O-N 2.88Å; Y75-L293 HydrophobicContact CD1-CD2 3.54Å; Y75-L293 HydrophobicContact CE1-CD2 3.89Å; Y75-L296 HydrophobicContact CD1-CD1 3.95Å; Y75-L296 HydrophobicContact CE1-CB 3.76Å; Y75-L296 HydrophobicContact CE1-CD1 3.62Å; Y75-L296 HydrophobicContact CE1-CG 4.3Å
76S93.7Very high86.4Confident3 Ų345.3 Ų45.32%0.02126%0.255CS..  trans-63.3142.3177.3-66.60000110.6E64 R73 S78 I79 L80E64-S76 PolarHBondContact OE2-OG 3.03Å; R73-S76 PolarHBondContact N-OG 3.08Å; R73-S76 VanDerWaalsContact O-CB 3.3Å; R73-S76 WeakPolarHBondContact O-CB 3.49Å; R73-S76 PolarHBondContact O-N 3.02Å; R73-S76 PolarHBondContact O-OG 3.48Å; S76-S78 PolarHBondContact O-N 3.18Å; S76-I79 PolarHBondContact O-N 2.94Å; S76-L80 PolarHBondContact O-N 3.32Å
77E93.6Very high88.4Confident94 Ų9438.7 Ų38.744%0.43922%0.224SC..Hα-helixtrans-58.5-35.6-176.5-173.5174168.300112.6R6 T81R6-E77 IonicContact CZ-OE2 3.47Å; R6-E77 IonicContact NH1-OE2 2.75Å; R6-E77 IonicContact NH2-OE2 2.94Å; R6-E77 PolarHBondContact NH2-OE2 3.02Å; E77-T81 WeakPolarHBondContact O-CB 3.23Å; E77-T81 PolarHBondContact O-N 3.3Å; E77-T81 PolarHBondContact O-OG1 3.42Å
78S94.8Very high90.7Very high48 Ų4835.3 Ų35.334%0.33620%0.198SC..Hα-helixtrans-62-42.2175.667.80000112.2Q72 S76 T82Q72-S78 PolarHBondContact OE1-OG 3.23Å; S76-S78 PolarHBondContact O-N 3.18Å; S78-T82 WeakPolarHBondContact O-CB 3.39Å; S78-T82 PolarHBondContact O-N 2.72Å; S78-T82 PolarHBondContact O-OG1 3.12Å
79I97.8Very high92.9Very high5 Ų531 Ų313%0.02617%0.173CC..Hα-helixtrans-70.5-49.6-179.7-63.5-59.8000109.9Q72 R73 L74 S76 T81 T82 M83 L245 P247Q72-I79 HydrophobicContact CB-CD1 4.38Å; Q72-I79 HydrophobicContact CB-CG1 4.18Å; R73-I79 VanDerWaalsContact O-CG1 3.32Å; R73-I79 WeakPolarHBondContact O-CG1 3.49Å; L74-I79 WeakPolarHBondContact O-CG2 3.49Å; S76-I79 PolarHBondContact O-N 2.94Å; I79-T81 VanDerWaalsContact C-N 3.28Å; I79-T81 PolarHBondContact O-N 3.48Å; I79-T82 PolarHBondContact O-N 3.16Å; I79-T82 VanDerWaalsContact O-N 3.14Å; I79-M83 HydrophobicContact CG2-SD 4.33Å; I79-M83 WeakPolarHBondContact O-CG 3.43Å; I79-M83 PolarHBondContact O-N 3.09Å; I79-L245 HydrophobicContact CG2-CD1 4Å; I79-P247 HydrophobicContact CD1-CB 4.1Å; I79-P247 HydrophobicContact CG1-CB 4.05Å; I79-P247 HydrophobicContact CG2-CB 4.15Å; I79-P247 HydrophobicContact CG2-CG 4.29Å
80L97.9Very high94.8Very high0 Ų026.9 Ų26.90%015%0.147CC..Hα-helixtrans-59.7-39.8176.7-63.1176.4000111.7S76 M83 V84 Q289 L292 L293 L296S76-L80 PolarHBondContact O-N 3.32Å; L80-M83 HydrophobicContact CD2-SD 4.2Å; L80-M83 WeakPolarHBondContact O-CB 3.47Å; L80-M83 PolarHBondContact O-N 2.83Å; L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.35Å; L80-Q289 HydrophobicContact CB-CG 4.05Å; L80-L292 HydrophobicContact CD2-CB 4.37Å; L80-L292 HydrophobicContact CD2-CD1 4.38Å; L80-L293 HydrophobicContact CD1-CD2 4.12Å; L80-L293 HydrophobicContact CD1-CG 4.32Å; L80-L296 HydrophobicContact CD2-CD1 3.93Å
81T98.2Very high96.1Very high52 Ų5225.5 Ų25.532%0.31914%0.135SC..Hα-helixtrans-65.3-42.1176-60.70000111.6E77 I79 M83 V84 Q85 Q289E77-T81 WeakPolarHBondContact O-CB 3.23Å; E77-T81 PolarHBondContact O-N 3.3Å; E77-T81 PolarHBondContact O-OG1 3.42Å; I79-T81 VanDerWaalsContact C-N 3.28Å; I79-T81 PolarHBondContact O-N 3.48Å; T81-M83 VanDerWaalsContact C-N 3.34Å; T81-M83 PolarHBondContact O-N 3.25Å; T81-V84 PolarHBondContact O-N 2.71Å; T81-Q85 WeakPolarHBondContact O-CG 3.42Å; T81-Q85 PolarHBondContact O-N 3.3Å; T81-Q289 PolarHBondContact OG1-NE2 3.5Å
82T98.6Very high96.7Very high13 Ų1327.7 Ų27.78%0.0815%0.146CC..Hα-helixtrans-63.4-40.8175.6-56.40000111S78 I79 V84 Q85 V86 F243 L245S78-T82 WeakPolarHBondContact O-CB 3.39Å; S78-T82 PolarHBondContact O-N 2.72Å; S78-T82 PolarHBondContact O-OG1 3.12Å; I79-T82 PolarHBondContact O-N 3.16Å; I79-T82 VanDerWaalsContact O-N 3.14Å; T82-V84 PolarHBondContact O-N 3.05Å; T82-Q85 PolarHBondContact O-N 3.25Å; T82-V86 HydrophobicContact CG2-CG2 4.48Å; T82-V86 WeakPolarHBondContact O-CG2 3.47Å; T82-V86 PolarHBondContact O-N 2.98Å; T82-F243 HydrophobicContact CG2-CB 4.4Å; T82-F243 HydrophobicContact CG2-CD1 4.24Å; T82-L245 HydrophobicContact CG2-CB 4.3Å; T82-L245 HydrophobicContact CG2-CD1 3.89Å
83M98.8Very high97.1Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-59.5-44.3173.8-68.4171.272.300112I79 L80 T81 V86 A87 L245 L269 T272 L273 L292I79-M83 HydrophobicContact CG2-SD 4.33Å; I79-M83 WeakPolarHBondContact O-CG 3.43Å; I79-M83 PolarHBondContact O-N 3.09Å; L80-M83 HydrophobicContact CD2-SD 4.2Å; L80-M83 WeakPolarHBondContact O-CB 3.47Å; L80-M83 PolarHBondContact O-N 2.83Å; T81-M83 VanDerWaalsContact C-N 3.34Å; T81-M83 PolarHBondContact O-N 3.25Å; M83-V86 PolarHBondContact O-N 2.91Å; M83-A87 WeakPolarHBondContact O-CB 3.32Å; M83-A87 PolarHBondContact O-N 3.44Å; M83-L245 HydrophobicContact CG-CD1 3.88Å; M83-L245 HydrophobicContact CG-CD2 4.11Å; M83-L269 HydrophobicContact CE-CD1 3.87Å; M83-L269 HydrophobicContact CG-CD1 3.87Å; M83-L269 HydrophobicContact SD-CD1 3.5Å; M83-L269 VanDerWaalsContact SD-CD1 3.5Å; M83-T272 HydrophobicContact CE-CG2 3.62Å; M83-L273 HydrophobicContact CB-CB 4.28Å; M83-L273 HydrophobicContact CE-CB 4.2Å; M83-L292 HydrophobicContact CB-CD1 3.65Å; M83-L292 HydrophobicContact CE-CD1 4.25Å; M83-L292 HydrophobicContact CE-CD2 4.37Å; M83-L292 HydrophobicContact SD-CD1 4.29Å
84V98.6Very high97.3Very high38 Ų3824.6 Ų24.623%0.2313%0.133CC..Hα-helixtrans-61.6-43.7175.7171.30000111.2L80 T81 T82 A87 G88 A287 L292L80-V84 WeakPolarHBondContact O-CG2 3.3Å; L80-V84 PolarHBondContact O-N 3.35Å; T81-V84 PolarHBondContact O-N 2.71Å; T82-V84 PolarHBondContact O-N 3.05Å; V84-A87 PolarHBondContact O-N 3.34Å; V84-G88 PolarHBondContact O-N 2.95Å; V84-A287 HydrophobicContact CG1-CB 4.33Å; V84-L292 HydrophobicContact CG2-CD1 3.7Å; V84-L292 HydrophobicContact CG2-CG 4.44Å
85Q98.6Very high97.3Very high59 Ų5930.3 Ų30.328%0.27616%0.157SC..Hα-helixtrans-62.2-44.6178.3-71.5169.4-10.800111.8T81 T82 G88 K89 F243T81-Q85 WeakPolarHBondContact O-CG 3.42Å; T81-Q85 PolarHBondContact O-N 3.3Å; T82-Q85 PolarHBondContact O-N 3.25Å; Q85-G88 PolarHBondContact O-N 3.33Å; Q85-K89 PolarHBondContact O-N 3.42Å; Q85-K89 VanDerWaalsContact O-N 3.13Å; Q85-F243 HydrophobicContact CB-CD1 4.32Å; Q85-F243 HydrophobicContact CB-CE1 3.58Å; Q85-F243 HydrophobicContact CB-CZ 4.07Å; Q85-F243 HydrophobicContact CG-CE1 4.4Å
86V98.8Very high97.3Very high0 Ų036.6 Ų36.60%019%0.187CC..Hα-helixtrans-65.5-44.7176.7175.90000111T82 M83 G88 K89 V90 V204 F243 L273T82-V86 HydrophobicContact CG2-CG2 4.48Å; T82-V86 WeakPolarHBondContact O-CG2 3.47Å; T82-V86 PolarHBondContact O-N 2.98Å; M83-V86 PolarHBondContact O-N 2.91Å; V86-G88 PolarHBondContact O-N 3.43Å; V86-K89 WeakPolarHBondContact O-CA 3.27Å; V86-K89 WeakPolarHBondContact O-CB 3.49Å; V86-K89 PolarHBondContact O-N 3.13Å; V86-V90 HydrophobicContact CG1-CG2 4.34Å; V86-V90 WeakPolarHBondContact O-CG2 3.46Å; V86-V90 PolarHBondContact O-N 2.88Å; V86-V204 HydrophobicContact CG1-CG1 4.23Å; V86-V204 HydrophobicContact CG1-CG2 4.06Å; V86-V204 HydrophobicContact CG2-CG1 4.03Å; V86-V204 HydrophobicContact CG2-CG2 4.22Å; V86-F243 HydrophobicContact CG2-CB 3.73Å; V86-F243 HydrophobicContact CG2-CD1 4.1Å; V86-F243 HydrophobicContact CG2-CD2 3.99Å; V86-F243 HydrophobicContact CG2-CG 3.66Å; V86-L273 HydrophobicContact CG1-CD1 3.91Å
87A98.5Very high97.3Very high0 Ų038.6 Ų38.60%020%0.2CC..Hα-helixtrans-57.4-40.9174.800000111.4M83 V84 K89 V90 Q91 L273 A277 A287M83-A87 WeakPolarHBondContact O-CB 3.32Å; M83-A87 PolarHBondContact O-N 3.44Å; V84-A87 PolarHBondContact O-N 3.34Å; A87-K89 PolarHBondContact O-N 3.17Å; A87-V90 PolarHBondContact O-N 3.19Å; A87-Q91 PolarHBondContact O-N 3.31Å; A87-L273 WeakPolarHBondContact CB-O 2.96Å; A87-A277 HydrophobicContact CB-CB 4.16Å; A87-A287 HydrophobicContact CB-CB 4.02Å
88G98.1Very high97.3Very high19 Ų1940.3 Ų40.320%0.19621%0.212CC..Hα-helixtrans-60-28.3173.100000114.1V84 Q85 V86 Q91V84-G88 PolarHBondContact O-N 2.95Å; Q85-G88 PolarHBondContact O-N 3.33Å; V86-G88 PolarHBondContact O-N 3.43Å; G88-Q91 WeakPolarHBondContact O-CG 3.31Å
89K98.4Very high97.3Very high48 Ų4838.8 Ų38.821%0.20920%0.203CC..Hα-helixtrans-83.8-38.5172.7-64.6-65.5170.5-157.50112.7Q85 V86 A87 Q91 E92 V93 I174 L202 F243Q85-K89 PolarHBondContact O-N 3.42Å; Q85-K89 VanDerWaalsContact O-N 3.13Å; V86-K89 WeakPolarHBondContact O-CA 3.27Å; V86-K89 WeakPolarHBondContact O-CB 3.49Å; V86-K89 PolarHBondContact O-N 3.13Å; A87-K89 PolarHBondContact O-N 3.17Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.26Å; K89-E92 WeakPolarHBondContact CD-OE2 3.43Å; K89-E92 IonicContact NZ-OE1 3.51Å; K89-E92 PolarHBondContact NZ-OE1 3.15Å; K89-E92 IonicContact NZ-OE2 3.22Å; K89-E92 PolarHBondContact NZ-OE2 2.84Å; K89-E92 WeakPolarHBondContact O-CB 3.39Å; K89-E92 PolarHBondContact O-N 3.46Å; K89-E92 VanDerWaalsContact O-N 3.12Å; K89-V93 PolarHBondContact O-N 3.24Å; K89-I174 VanDerWaalsContact C-CD1 3.45Å; K89-I174 HydrophobicContact CB-CD1 4.18Å; K89-I174 WeakPolarHBondContact O-CD1 3.26Å; K89-L202 HydrophobicContact CB-CD2 3.38Å; K89-L202 HydrophobicContact CD-CD2 4.06Å; K89-L202 HydrophobicContact CG-CD2 3.51Å; K89-F243 HydrophobicContact CG-CE2 4.01Å; K89-F243 HydrophobicContact CG-CZ 4.36Å
90V98.6Very high97.3Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-59.6-44.1175.7174.20000110.9V86 A87 E92 V93 L94 V102 I174 L274 A277V86-V90 HydrophobicContact CG1-CG2 4.34Å; V86-V90 WeakPolarHBondContact O-CG2 3.46Å; V86-V90 PolarHBondContact O-N 2.88Å; A87-V90 PolarHBondContact O-N 3.19Å; V90-E92 PolarHBondContact O-N 3.39Å; V90-V93 WeakPolarHBondContact O-CB 3.46Å; V90-V93 PolarHBondContact O-N 3.33Å; V90-L94 HydrophobicContact CG1-CD1 4.02Å; V90-L94 HydrophobicContact CG1-CG 4.14Å; V90-L94 WeakPolarHBondContact O-CG 3.44Å; V90-L94 PolarHBondContact O-N 2.8Å; V90-V102 HydrophobicContact CG1-CG2 4.45Å; V90-I174 VanDerWaalsContact CA-CD1 3.45Å; V90-I174 HydrophobicContact CB-CD1 4.25Å; V90-I174 HydrophobicContact CG2-CD1 3.83Å; V90-L274 HydrophobicContact CG1-CD2 3.9Å; V90-L274 HydrophobicContact CG2-CD2 4.03Å; V90-A277 HydrophobicContact CB-CB 3.76Å; V90-A277 HydrophobicContact CG1-CB 3.62Å
91Q97.1Very high97.3Very high40 Ų4039.3 Ų39.319%0.18721%0.206CC..Hα-helixtrans-60.7-29.2176.463.6172.256.700113.9A87 G88 K89 V93 L94 K95 V281A87-Q91 PolarHBondContact O-N 3.31Å; G88-Q91 WeakPolarHBondContact O-CG 3.31Å; K89-Q91 VanDerWaalsContact C-N 3.32Å; K89-Q91 PolarHBondContact O-N 3.26Å; Q91-V93 VanDerWaalsContact C-N 3.3Å; Q91-L94 PolarHBondContact O-N 2.79Å; Q91-K95 WeakPolarHBondContact O-CB 3.21Å; Q91-K95 WeakPolarHBondContact O-CG 3.24Å; Q91-K95 PolarHBondContact O-N 2.9Å; Q91-V281 HydrophobicContact CB-CG2 3.72Å
92E96.9Very high97.3Very high73 Ų7336.8 Ų36.834%0.34119%0.191SC..Hα-helixtrans-63.5-42.4176-67.7169.2-171.500109.4K89 V90 E96 R172K89-E92 WeakPolarHBondContact CD-OE2 3.43Å; K89-E92 IonicContact NZ-OE1 3.51Å; K89-E92 PolarHBondContact NZ-OE1 3.15Å; K89-E92 IonicContact NZ-OE2 3.22Å; K89-E92 PolarHBondContact NZ-OE2 2.84Å; K89-E92 WeakPolarHBondContact O-CB 3.39Å; K89-E92 PolarHBondContact O-N 3.46Å; K89-E92 VanDerWaalsContact O-N 3.12Å; V90-E92 PolarHBondContact O-N 3.39Å; E92-E96 PolarHBondContact O-N 3.27Å; E92-R172 IonicContact OE2-NH2 3.54Å
93V98Very high97.4Very high1 Ų136.2 Ų36.21%0.00619%0.187CC..Hα-helixtrans-69-41.3176.7173.80000111.9K89 V90 Q91 K95 E96 V102 R172 I174K89-V93 PolarHBondContact O-N 3.24Å; V90-V93 WeakPolarHBondContact O-CB 3.46Å; V90-V93 PolarHBondContact O-N 3.33Å; Q91-V93 VanDerWaalsContact C-N 3.3Å; V93-K95 VanDerWaalsContact C-N 3.3Å; V93-K95 PolarHBondContact O-N 2.94Å; V93-E96 CarbonylContact O-C 3.59Å; V93-E96 PolarHBondContact O-N 2.98Å; V93-V102 HydrophobicContact CB-CG2 4.43Å; V93-V102 HydrophobicContact CG1-CG2 3.91Å; V93-R172 HydrophobicContact CG2-CG 3.79Å; V93-I174 HydrophobicContact CB-CD1 4.28Å; V93-I174 HydrophobicContact CG2-CD1 3.58Å; V93-I174 HydrophobicContact CG2-CG1 3.81Å
94L97.6Very high97.4Very high15 Ų1536.2 Ų36.28%0.07919%0.187CC..Hα-helixtrans-63.9-34.6179.2-66.1179.1000112.4V90 Q91 E96 M125 L133 Y134 A277 V281V90-L94 HydrophobicContact CG1-CD1 4.02Å; V90-L94 HydrophobicContact CG1-CG 4.14Å; V90-L94 WeakPolarHBondContact O-CG 3.44Å; V90-L94 PolarHBondContact O-N 2.8Å; Q91-L94 PolarHBondContact O-N 2.79Å; L94-E96 VanDerWaalsContact C-N 3.32Å; L94-M125 HydrophobicContact CD2-CE 4.14Å; L94-M125 HydrophobicContact CD2-SD 4.28Å; L94-L133 HydrophobicContact CD2-CD1 3.97Å; L94-Y134 HydrophobicContact CD2-CE2 4.06Å; L94-A277 HydrophobicContact CD1-CB 4.33Å; L94-V281 HydrophobicContact CB-CG2 3.84Å; L94-V281 HydrophobicContact CD1-CG2 4.1Å
95K96.5Very high97.4Very high123 Ų12334.4 Ų34.454%0.53518%0.176SC..Hα-helixtrans-73.9-20.6176.2-73.7175.8-179.5179.90113.8Q91 V93 P97 V281Q91-K95 WeakPolarHBondContact O-CB 3.21Å; Q91-K95 WeakPolarHBondContact O-CG 3.24Å; Q91-K95 PolarHBondContact O-N 2.9Å; V93-K95 VanDerWaalsContact C-N 3.3Å; V93-K95 PolarHBondContact O-N 2.94Å; K95-P97 VanDerWaalsContact C-CD 3.41Å; K95-P97 VanDerWaalsContact O-CD 3.3Å; K95-P97 WeakPolarHBondContact O-CD 3.46Å; K95-V281 HydrophobicContact CG-CG1 4.21Å; K95-V281 HydrophobicContact CG-CG2 4.13Å
96E94.8Very high97.4Very high137 Ų13731.6 Ų31.664%0.6416%0.163SC*.  trans-12069179.9-65.8-172.8-17400111.3E92 V93 L94 D98 G100E92-E96 PolarHBondContact O-N 3.27Å; V93-E96 CarbonylContact O-C 3.59Å; V93-E96 PolarHBondContact O-N 2.98Å; L94-E96 VanDerWaalsContact C-N 3.32Å; E96-D98 PolarHBondContact O-N 2.82Å; E96-D98 VanDerWaalsContact O-N 3.12Å; E96-G100 PolarHBondContact O-N 2.95Å
97P93.6Very high97.3Very high46 Ų4632 Ų3230%0.29917%0.167SC..THydrogen-bonded Turntrans-64.3-20.1-17526.4-35.7000113.7K95 G99 L133K95-P97 VanDerWaalsContact C-CD 3.41Å; K95-P97 VanDerWaalsContact O-CD 3.3Å; K95-P97 WeakPolarHBondContact O-CD 3.46Å; P97-G99 PolarHBondContact O-N 2.9Å; P97-G99 VanDerWaalsContact O-N 3.17Å; P97-L133 HydrophobicContact CB-CD1 4.1Å; P97-L133 HydrophobicContact CB-CD2 3.98Å; P97-L133 HydrophobicContact CB-CG 4.5Å
98D94Very high97.2Very high130 Ų13032.6 Ų32.670%0.69517%0.174SC*.THydrogen-bonded Turntrans-8685.2179.2-70.3-32.2000111.7E96 K131E96-D98 PolarHBondContact O-N 2.82Å; E96-D98 VanDerWaalsContact O-N 3.12Å; D98-K131 IonicContact OD1-NZ 3.68Å
99G93.2Very high97.2Very high15 Ų1532.1 Ų32.116%0.15517%0.167CC..THydrogen-bonded Turntrans106.1-3.3-178.300000113.5P97 K170 K171 R172P97-G99 PolarHBondContact O-N 2.9Å; P97-G99 VanDerWaalsContact O-N 3.17Å; G99-K170 CarbonylContact O-C 3.54Å; G99-K170 WeakPolarHBondContact O-CA 3.31Å; G99-K170 WeakPolarHBondContact O-CB 3.42Å; G99-K171 PolarHBondContact O-N 3.39Å; G99-R172 PolarHBondContact O-N 2.71Å; G99-R172 VanDerWaalsContact O-N 3.14Å
100G97.9Very high97.2Very high1 Ų130.4 Ų30.41%0.0116%0.161CC..EExtended strand (participates in β ladder)trans-75.5149.1167.300000113.5E96 R172E96-G100 PolarHBondContact O-N 2.95Å; G100-R172 CarbonylContact C-O 3.58Å; G100-R172 WeakPolarHBondContact CA-O 3.43Å
101L98.8Very high97.2Very high15 Ų1530.4 Ų30.48%0.07916%0.161CC..EExtended strand (participates in β ladder)trans-157.1139.5169.2-172.169.1000110.9V103 L133 T135 V166 K170 R172 V173 I174L101-V103 HydrophobicContact CD2-CG2 3.58Å; L101-V103 HydrophobicContact CG-CG2 3.9Å; L101-L133 WeakPolarHBondContact CD1-O 3.3Å; L101-T135 HydrophobicContact CD1-CG2 4.06Å; L101-T135 HydrophobicContact CD2-CG2 4.06Å; L101-T135 HydrophobicContact CG-CG2 4.24Å; L101-V166 VanDerWaalsContact CD2-O 3.32Å; L101-V166 WeakPolarHBondContact CD2-O 3.47Å; L101-K170 HydrophobicContact CB-CD 4.17Å; L101-K170 HydrophobicContact CB-CG 4.15Å; L101-K170 HydrophobicContact CD2-CG 4.25Å; L101-R172 PolarHBondContact N-O 2.67Å; L101-V173 HydrophobicContact CB-CG1 4.35Å; L101-V173 HydrophobicContact CB-CG2 4.33Å; L101-V173 HydrophobicContact CD2-CG1 4.47Å; L101-V173 WeakPolarHBondContact O-CA 3.17Å; L101-I174 PolarHBondContact O-N 2.87Å
102V98.9Very high97.3Very high0 Ų028.5 Ų28.50%015%0.152CC..EExtended strand (participates in β ladder)trans-111115.1167.2-174.90000108.5V90 V93 L104 L133 Y134 T135 I176V90-V102 HydrophobicContact CG1-CG2 4.45Å; V93-V102 HydrophobicContact CB-CG2 4.43Å; V93-V102 HydrophobicContact CG1-CG2 3.91Å; V102-L104 HydrophobicContact CG1-CD1 4.43Å; V102-L133 PolarHBondContact N-O 3.08Å; V102-Y134 HydrophobicContact CB-CD1 3.67Å; V102-Y134 HydrophobicContact CB-CE1 3.71Å; V102-Y134 HydrophobicContact CB-CG 4.35Å; V102-Y134 HydrophobicContact CG1-CD1 3.73Å; V102-Y134 HydrophobicContact CG1-CE1 3.6Å; V102-Y134 HydrophobicContact CG2-CD1 4.46Å; V102-Y134 HydrophobicContact CG2-CE1 4.08Å; V102-Y134 CarbonylContact O-C 3.54Å; V102-Y134 VanDerWaalsContact O-CA 3.32Å; V102-Y134 WeakPolarHBondContact O-CA 3.47Å; V102-T135 PolarHBondContact O-N 2.93Å; V102-I176 HydrophobicContact CG1-CD1 4.31Å
103V98.9Very high97.4Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-103.5127.5178.5-176.70000108.4L101 T135 L137 L163 V166 V173 I174 V175 I176L101-V103 HydrophobicContact CD2-CG2 3.58Å; L101-V103 HydrophobicContact CG-CG2 3.9Å; V103-T135 WeakPolarHBondContact CA-O 3.45Å; V103-T135 HydrophobicContact CB-CG2 4.31Å; V103-T135 HydrophobicContact CG1-CG2 4.28Å; V103-T135 HydrophobicContact CG2-CG2 3.81Å; V103-L137 HydrophobicContact CG1-CD1 3.72Å; V103-L137 HydrophobicContact CG1-CG 3.83Å; V103-L163 HydrophobicContact CG1-CD1 4.36Å; V103-L163 HydrophobicContact CG2-CD1 4.38Å; V103-V166 HydrophobicContact CG1-CG2 4.46Å; V103-V166 HydrophobicContact CG2-CG2 4.09Å; V103-V173 HydrophobicContact CG2-CG1 3.78Å; V103-I174 PolarHBondContact N-O 3Å; V103-V175 HydrophobicContact CB-CG1 4.42Å; V103-V175 HydrophobicContact CB-CG2 4.4Å; V103-V175 HydrophobicContact CG1-CG1 4.48Å; V103-V175 CarbonylContact O-C 3.3Å; V103-V175 WeakPolarHBondContact O-CA 3.33Å; V103-I176 PolarHBondContact O-N 3.49Å
104L98.9Very high97.4Very high0 Ų025 Ų250%014%0.136CC..EExtended strand (participates in β ladder)trans-106.8138.9167.1-62.2101.7000109.5V102 A114 M117 Y134 T135 Y136 L137 I176 L270V102-L104 HydrophobicContact CG1-CD1 4.43Å; L104-A114 HydrophobicContact CB-CB 3.5Å; L104-M117 HydrophobicContact CD1-CB 4.35Å; L104-M117 HydrophobicContact CD2-CB 3.73Å; L104-M117 HydrophobicContact CD2-CG 4.01Å; L104-Y134 HydrophobicContact CD1-CD1 3.87Å; L104-T135 PolarHBondContact N-O 3.47Å; L104-Y136 CarbonylContact O-C 3.5Å; L104-Y136 VanDerWaalsContact O-CA 3.22Å; L104-Y136 WeakPolarHBondContact O-CA 3.43Å; L104-L137 PolarHBondContact O-N 3.44Å; L104-I176 CarbonylContact C-O 3.33Å; L104-I176 WeakPolarHBondContact CA-O 3.38Å; L104-I176 HydrophobicContact CD2-CB 4.49Å; L104-I176 HydrophobicContact CD2-CD1 4.34Å; L104-I176 HydrophobicContact CG-CB 4.31Å; L104-I176 HydrophobicContact CG-CD1 4.43Å; L104-L270 HydrophobicContact CD2-CD1 3.85Å
105S98.9Very high97.5Very high0 Ų024.3 Ų24.30%013%0.132CC..EExtended strand (participates in β ladder)trans-144.4147.2-175.4-165.60000114.5L137 I176 I178 F186 Q190S105-L137 WeakPolarHBondContact CA-O 3.46Å; S105-L137 WeakPolarHBondContact CB-O 3.32Å; S105-L137 VanDerWaalsContact OG-CB 3.31Å; S105-L137 WeakPolarHBondContact OG-CB 3.45Å; S105-L137 PolarHBondContact OG-O 2.96Å; S105-I176 PolarHBondContact N-O 3.23Å; S105-I178 WeakPolarHBondContact O-CB 3.17Å; S105-I178 PolarHBondContact O-N 3.36Å; S105-F186 VanDerWaalsContact OG-CE1 3.25Å; S105-F186 WeakPolarHBondContact OG-CE1 3.23Å; S105-Q190 VanDerWaalsContact CB-OE1 3.25Å; S105-Q190 PolarHBondContact OG-NE2 2.77Å; S105-Q190 PolarHBondContact OG-OE1 2.92Å
106G98.8Very high97.6Very high0 Ų018.5 Ų18.50%011%0.107CC..EExtended strand (participates in β ladder)trans-177.7172.9174.300000113.5G111 L137 I138 A139G106-G111 VanDerWaalsContact O-CA 3.22Å; G106-G111 WeakPolarHBondContact O-CA 3.37Å; G106-L137 PolarHBondContact N-O 3.31Å; G106-L137 VanDerWaalsContact N-O 3.1Å; G106-I138 WeakPolarHBondContact O-CA 3.16Å; G106-A139 PolarHBondContact O-N 2.98Å
107G96.7Very high97.7Very high8 Ų812 Ų128%0.0828%0.076CC..SBendtrans-98.9155.5169.700000112T109 S110 G111G107-T109 PolarHBondContact O-N 3.13Å; G107-S110 WeakPolarHBondContact O-CB 3.32Å; G107-S110 PolarHBondContact O-N 3.23Å; G107-G111 PolarHBondContact O-N 3.24Å; G107-G111 VanDerWaalsContact O-N 3.16Å
108G96.5Very high98Very high13 Ų139.9 Ų9.913%0.1346%0.063CC..Hα-helixtrans49.3-133.5177.700000113.5S110 G111 R112G108-S110 PolarHBondContact O-N 2.89Å; G108-G111 PolarHBondContact O-N 2.87Å; G108-R112 PolarHBondContact O-N 3.44Å
109T97.9Very high98.2Very high9 Ų94 Ų46%0.0553%0.032CC..Hα-helixtrans-53.2-36.4175.4-68.70000113.7G107 G111 R112 M113 R259 M344 E348G107-T109 PolarHBondContact O-N 3.13Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 2.91Å; T109-R112 PolarHBondContact O-N 3.3Å; T109-M113 HydrophobicContact CG2-CE 4.48Å; T109-M113 HydrophobicContact CG2-CG 4.24Å; T109-M113 WeakPolarHBondContact O-CB 3.45Å; T109-M113 WeakPolarHBondContact O-CG 3.48Å; T109-M113 PolarHBondContact O-N 2.79Å; T109-R259 HydrophobicContact CG2-CB 4.21Å; T109-R259 WeakPolarHBondContact OG1-CB 3.33Å; T109-M344 HydrophobicContact CG2-CE 4.24Å; T109-E348 PolarHBondContact N-OE1 2.83Å; T109-E348 WeakPolarHBondContact OG1-CG 3.46Å; T109-E348 PolarHBondContact OG1-OE1 2.91Å
110S98.5Very high98.4Very high12 Ų123.4 Ų3.48%0.0843%0.025CC..Hα-helixtrans-64.6-38.4177.5-67.60000112G107 G108 M113 A114 I178G107-S110 WeakPolarHBondContact O-CB 3.32Å; G107-S110 PolarHBondContact O-N 3.23Å; G108-S110 PolarHBondContact O-N 2.89Å; S110-M113 PolarHBondContact O-N 3.39Å; S110-A114 PolarHBondContact O-N 2.79Å; S110-I178 WeakPolarHBondContact CB-O 3.2Å
111G98.7Very high98.3Very high0 Ų03.3 Ų3.30%02%0.024CC..Hα-helixtrans-68.4-37.5172.500000113G106 G107 G108 T109 M113 A114 F115G106-G111 VanDerWaalsContact O-CA 3.22Å; G106-G111 WeakPolarHBondContact O-CA 3.37Å; G107-G111 PolarHBondContact O-N 3.24Å; G107-G111 VanDerWaalsContact O-N 3.16Å; G108-G111 PolarHBondContact O-N 2.87Å; T109-G111 VanDerWaalsContact C-N 3.33Å; T109-G111 PolarHBondContact O-N 2.91Å; G111-M113 VanDerWaalsContact C-N 3.35Å; G111-A114 WeakPolarHBondContact O-CB 3.19Å; G111-A114 PolarHBondContact O-N 2.91Å; G111-F115 PolarHBondContact O-N 3.41Å
112R98.7Very high98.3Very high1 Ų14.1 Ų4.10%0.0043%0.029CC..Hα-helixtrans-70.4-30.7174.9-61.1-175.4-162973.6112.7G108 T109 F115 L116 I138 S144 V145 A147 M344 E348G108-R112 PolarHBondContact O-N 3.44Å; T109-R112 PolarHBondContact O-N 3.3Å; R112-F115 WeakPolarHBondContact O-CB 3.44Å; R112-F115 PolarHBondContact O-N 3.14Å; R112-L116 PolarHBondContact O-N 3.15Å; R112-I138 HydrophobicContact CG-CD1 3.81Å; R112-S144 VanDerWaalsContact CZ-O 3.25Å; R112-S144 PolarHBondContact NE-O 3.11Å; R112-S144 PolarHBondContact NH2-O 3.01Å; R112-V145 VanDerWaalsContact CD-O 3.3Å; R112-V145 WeakPolarHBondContact CD-O 3.05Å; R112-V145 PolarHBondContact NE-O 3.42Å; R112-A147 PolarHBondContact NH2-O 3.13Å; R112-M344 HydrophobicContact CB-CE 3.77Å; R112-M344 HydrophobicContact CB-CG 3.73Å; R112-M344 HydrophobicContact CB-SD 4.07Å; R112-M344 HydrophobicContact CG-CG 4.41Å; R112-E348 IonicContact CZ-OE1 2.68Å; R112-E348 IonicContact NH1-OE1 2.98Å; R112-E348 PolarHBondContact NH1-OE1 2.73Å
113M98.7Very high98.1Very high0 Ų07.2 Ų7.20%04%0.043CC..Hα-helixtrans-65.6-44168-76-63.6172.100110.9T109 S110 G111 F115 L116 M117 T266 K267 M344 K483T109-M113 HydrophobicContact CG2-CE 4.48Å; T109-M113 HydrophobicContact CG2-CG 4.24Å; T109-M113 WeakPolarHBondContact O-CB 3.45Å; T109-M113 WeakPolarHBondContact O-CG 3.48Å; T109-M113 PolarHBondContact O-N 2.79Å; S110-M113 PolarHBondContact O-N 3.39Å; G111-M113 VanDerWaalsContact C-N 3.35Å; M113-F115 VanDerWaalsContact C-N 3.3Å; M113-F115 PolarHBondContact O-N 3.21Å; M113-L116 PolarHBondContact O-N 3.01Å; M113-L116 HydrophobicContact SD-CD2 4.38Å; M113-M117 VanDerWaalsContact O-CG 3.25Å; M113-M117 WeakPolarHBondContact O-CG 3.33Å; M113-M117 PolarHBondContact O-N 2.9Å; M113-T266 HydrophobicContact CB-CG2 4.22Å; M113-K267 HydrophobicContact CE-CB 4.39Å; M113-K267 HydrophobicContact SD-CB 4Å; M113-K267 HydrophobicContact SD-CG 4.36Å; M113-M344 HydrophobicContact CE-CE 3.43Å; M113-M344 VanDerWaalsContact CE-CE 3.43Å; M113-M344 HydrophobicContact CG-CE 3.83Å; M113-M344 HydrophobicContact SD-CE 3.69Å; M113-K483 HydrophobicContact CE-CD 3.62Å
114A98.8Very high97.9Very high0 Ų07.2 Ų7.20%04%0.043CC..Hα-helixtrans-56.6-44.2173.300000112L104 S110 G111 M117 S118 I178L104-A114 HydrophobicContact CB-CB 3.5Å; S110-A114 PolarHBondContact O-N 2.79Å; G111-A114 WeakPolarHBondContact O-CB 3.19Å; G111-A114 PolarHBondContact O-N 2.91Å; A114-M117 PolarHBondContact O-N 3.11Å; A114-S118 WeakPolarHBondContact O-CB 3.47Å; A114-S118 PolarHBondContact O-N 3.08Å; A114-I178 HydrophobicContact CB-CD1 4.16Å
115F98.8Very high97.7Very high1 Ų17.5 Ų7.50%0.0044%0.044CC..Hα-helixtrans-56-56.6172.3169.3-105.3000111.7G111 R112 M113 M117 S118 V119 Y136 V145 I340 M371 F372G111-F115 PolarHBondContact O-N 3.41Å; R112-F115 WeakPolarHBondContact O-CB 3.44Å; R112-F115 PolarHBondContact O-N 3.14Å; M113-F115 VanDerWaalsContact C-N 3.3Å; M113-F115 PolarHBondContact O-N 3.21Å; F115-M117 VanDerWaalsContact C-N 3.34Å; F115-M117 PolarHBondContact O-N 2.87Å; F115-S118 PolarHBondContact O-N 3.43Å; F115-S118 VanDerWaalsContact O-N 3.11Å; F115-S118 PolarHBondContact O-OG 3.31Å; F115-V119 HydrophobicContact CD2-CG2 4.31Å; F115-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 HydrophobicContact CE2-CG2 4.03Å; F115-V119 HydrophobicContact CZ-CG2 4.08Å; F115-V119 WeakPolarHBondContact O-CG2 3.3Å; F115-V119 PolarHBondContact O-N 3Å; F115-Y136 HydrophobicContact CB-CD1 4.49Å; F115-Y136 HydrophobicContact CB-CD2 3.97Å; F115-Y136 HydrophobicContact CB-CE2 4.39Å; F115-Y136 HydrophobicContact CB-CG 4.04Å; F115-Y136 AromaticContact CD2-CD1 3.86Å; F115-Y136 HydrophobicContact CD2-CD1 3.86Å; F115-Y136 HydrophobicContact CD2-CD2 4.14Å; F115-Y136 AromaticContact CD2-CE1 3.53Å; F115-Y136 HydrophobicContact CD2-CE1 3.53Å; F115-Y136 AromaticContact CD2-CE2 3.84Å; F115-Y136 HydrophobicContact CD2-CE2 3.84Å; F115-Y136 HydrophobicContact CD2-CG 4.15Å; F115-Y136 AromaticContact CD2-CZ 3.52Å; F115-Y136 HydrophobicContact CE2-CE1 4.06Å; F115-V145 HydrophobicContact CD1-CG1 4.08Å; F115-V145 HydrophobicContact CD2-CG2 4.45Å; F115-V145 HydrophobicContact CE1-CG1 4Å; F115-V145 HydrophobicContact CG-CG2 4.38Å; F115-V145 HydrophobicContact CZ-CG1 4.41Å; F115-I340 HydrophobicContact CD1-CG2 3.86Å; F115-I340 HydrophobicContact CE1-CD1 3.78Å; F115-I340 HydrophobicContact CE1-CG1 4.02Å; F115-I340 HydrophobicContact CE1-CG2 3.72Å; F115-I340 HydrophobicContact CZ-CD1 4.44Å; F115-M371 HydrophobicContact CE2-CB 4.16Å; F115-M371 WeakPolarHBondContact CE2-O 3.31Å; F115-M371 HydrophobicContact CZ-CB 3.93Å; F115-F372 AromaticContact CE2-CD1 3.95Å; F115-F372 HydrophobicContact CE2-CD1 3.95Å; F115-F372 AromaticContact CE2-CE1 3.98Å; F115-F372 HydrophobicContact CE2-CE1 3.98Å; F115-F372 HydrophobicContact CE2-CG 4.3Å; F115-F372 HydrophobicContact CE2-CZ 4.35Å; F115-F372 HydrophobicContact CZ-CD1 4.23Å; F115-F372 AromaticContact CZ-CE1 3.85Å; F115-F372 HydrophobicContact CZ-CE1 3.85Å; F115-F372 HydrophobicContact CZ-CE2 4.14Å; F115-F372 AromaticContact CZ-CZ 3.8Å; F115-F372 HydrophobicContact CZ-CZ 3.8Å
116L98.7Very high97.4Very high0 Ų013.6 Ų13.60%07%0.071CC..Hα-helixtrans-56.3-45.1179.3178.665.7000112.4R112 M113 S118 V119 S120 I340 I341R112-L116 PolarHBondContact O-N 3.15Å; M113-L116 PolarHBondContact O-N 3.01Å; M113-L116 HydrophobicContact SD-CD2 4.38Å; L116-S118 PolarHBondContact O-N 3.24Å; L116-V119 PolarHBondContact O-N 3.49Å; L116-S120 WeakPolarHBondContact O-CB 3.47Å; L116-S120 PolarHBondContact O-N 3.26Å; L116-S120 PolarHBondContact O-OG 3.16Å; L116-I340 HydrophobicContact CB-CG2 4.41Å; L116-I340 HydrophobicContact CD1-CB 4.31Å; L116-I340 HydrophobicContact CD1-CD1 3.98Å; L116-I340 HydrophobicContact CD1-CG2 4.18Å; L116-I341 HydrophobicContact CD2-CD1 3.56Å
117M98.6Very high97Very high0 Ų016.7 Ų16.70%010%0.103CC..Hα-helixtrans-60.4-45.6177.1-66.8-538700111.4L104 M113 A114 F115 V119 S120 F121 K267 L270 E271L104-M117 HydrophobicContact CD1-CB 4.35Å; L104-M117 HydrophobicContact CD2-CB 3.73Å; L104-M117 HydrophobicContact CD2-CG 4.01Å; M113-M117 VanDerWaalsContact O-CG 3.25Å; M113-M117 WeakPolarHBondContact O-CG 3.33Å; M113-M117 PolarHBondContact O-N 2.9Å; A114-M117 PolarHBondContact O-N 3.11Å; F115-M117 VanDerWaalsContact C-N 3.34Å; F115-M117 PolarHBondContact O-N 2.87Å; M117-V119 VanDerWaalsContact C-N 3.33Å; M117-V119 PolarHBondContact O-N 2.9Å; M117-S120 PolarHBondContact O-N 3.47Å; M117-F121 WeakPolarHBondContact O-CD2 3.47Å; M117-F121 PolarHBondContact O-N 2.48Å; M117-F121 HydrophobicContact SD-CE2 4.31Å; M117-K267 HydrophobicContact CE-CG 4.08Å; M117-L270 HydrophobicContact CG-CB 4.39Å; M117-L270 HydrophobicContact CG-CD1 4.28Å; M117-L270 HydrophobicContact SD-CB 4.2Å; M117-E271 HydrophobicContact CE-CG 3.9Å; M117-E271 VanDerWaalsContact CE-OE1 3.25Å; M117-E271 WeakPolarHBondContact CE-OE1 3.25Å; M117-E271 HydrophobicContact SD-CG 3.47Å; M117-E271 WeakPolarHBondContact SD-CG 3.48Å
118S98.6Very high96.7Very high3 Ų320 Ų202%0.02112%0.119CC..Hα-helixtrans-62.4-40.7179.175.40000112.1A114 F115 L116 N122 Y136A114-S118 WeakPolarHBondContact O-CB 3.47Å; A114-S118 PolarHBondContact O-N 3.08Å; F115-S118 PolarHBondContact O-N 3.43Å; F115-S118 VanDerWaalsContact O-N 3.11Å; F115-S118 PolarHBondContact O-OG 3.31Å; L116-S118 PolarHBondContact O-N 3.24Å; S118-N122 WeakPolarHBondContact O-CB 3.43Å; S118-N122 VanDerWaalsContact O-CG 3.24Å; S118-N122 PolarHBondContact O-N 3.46Å; S118-N122 PolarHBondContact O-ND2 3.38Å; S118-Y136 VanDerWaalsContact OG-CD1 3.27Å; S118-Y136 WeakPolarHBondContact OG-CD1 3.18Å
119V98.2Very high96.6Very high7 Ų723 Ų234%0.04215%0.149CC..Hα-helixtrans-61.8-52.6174.8171.70000110.2F115 L116 M117 F121 N122 Q123 T337 I340 M371F115-V119 HydrophobicContact CD2-CG2 4.31Å; F115-V119 HydrophobicContact CE1-CG2 4.41Å; F115-V119 HydrophobicContact CE2-CG2 4.03Å; F115-V119 HydrophobicContact CZ-CG2 4.08Å; F115-V119 WeakPolarHBondContact O-CG2 3.3Å; F115-V119 PolarHBondContact O-N 3Å; L116-V119 PolarHBondContact O-N 3.49Å; M117-V119 VanDerWaalsContact C-N 3.33Å; M117-V119 PolarHBondContact O-N 2.9Å; V119-F121 PolarHBondContact O-N 3.38Å; V119-N122 PolarHBondContact O-N 3.21Å; V119-Q123 WeakPolarHBondContact O-CB 3.5Å; V119-Q123 VanDerWaalsContact O-CG 3.29Å; V119-Q123 WeakPolarHBondContact O-CG 3.41Å; V119-Q123 PolarHBondContact O-N 3.22Å; V119-T337 HydrophobicContact CG1-CG2 4.48Å; V119-I340 HydrophobicContact CG1-CD1 4.29Å; V119-M371 HydrophobicContact CG1-CE 4.14Å; V119-M371 HydrophobicContact CG1-CG 3.93Å; V119-M371 HydrophobicContact CG1-SD 4.39Å; V119-M371 HydrophobicContact CG2-CB 3.89Å; V119-M371 HydrophobicContact CG2-CG 3.95Å
120S97Very high96.4Very high1 Ų125.4 Ų25.41%0.00716%0.16CC..Hα-helixtrans-60.6-47.5-176.5-760000113.2L116 M117 Q123 L124L116-S120 WeakPolarHBondContact O-CB 3.47Å; L116-S120 PolarHBondContact O-N 3.26Å; L116-S120 PolarHBondContact O-OG 3.16Å; M117-S120 PolarHBondContact O-N 3.47Å; S120-Q123 PolarHBondContact O-N 3.37Å; S120-L124 PolarHBondContact O-N 3.36Å
121F97.8Very high96.3Very high0 Ų030.4 Ų30.40%018%0.18CC..Hα-helixtrans-77.6-29.6-178.1-75.6-77.4000112.8M117 V119 L124 M125 Y134 E271 L274 L275 H278 F476M117-F121 WeakPolarHBondContact O-CD2 3.47Å; M117-F121 PolarHBondContact O-N 2.48Å; M117-F121 HydrophobicContact SD-CE2 4.31Å; V119-F121 PolarHBondContact O-N 3.38Å; F121-L124 HydrophobicContact CD1-CD1 4.21Å; F121-L124 HydrophobicContact CE1-CD1 4.34Å; F121-L124 WeakPolarHBondContact O-CB 3.07Å; F121-L124 PolarHBondContact O-N 2.93Å; F121-M125 VanDerWaalsContact O-CG 3.31Å; F121-M125 WeakPolarHBondContact O-CG 3.41Å; F121-M125 PolarHBondContact O-N 3.28Å; F121-Y134 HydrophobicContact CB-CD1 4.22Å; F121-Y134 HydrophobicContact CB-CD2 3.75Å; F121-Y134 HydrophobicContact CB-CE1 4.18Å; F121-Y134 HydrophobicContact CB-CE2 3.73Å; F121-Y134 HydrophobicContact CB-CG 4.01Å; F121-E271 HydrophobicContact CE2-CG 4.35Å; F121-L274 HydrophobicContact CD1-CB 4.15Å; F121-L274 HydrophobicContact CD2-CB 4.22Å; F121-L274 HydrophobicContact CD2-CD1 3.65Å; F121-L274 HydrophobicContact CE1-CB 3.55Å; F121-L274 HydrophobicContact CE2-CB 3.65Å; F121-L274 HydrophobicContact CE2-CD1 3.51Å; F121-L274 HydrophobicContact CE2-CG 4.22Å; F121-L274 HydrophobicContact CG-CB 4.47Å; F121-L274 HydrophobicContact CG-CD1 4.36Å; F121-L274 HydrophobicContact CZ-CB 3.28Å; F121-L274 HydrophobicContact CZ-CD1 4.1Å; F121-L274 HydrophobicContact CZ-CG 4.33Å; F121-L275 HydrophobicContact CE1-CD2 4.18Å; F121-L275 HydrophobicContact CE1-CG 4.18Å; F121-L275 HydrophobicContact CZ-CG 4.18Å; F121-H278 AromaticContact CD1-CD2 3.57Å; F121-H278 AromaticContact CD1-NE2 3.65Å; F121-H278 AromaticContact CE1-CD2 3.92Å; F121-F476 HydrophobicContact CE2-CZ 4.37Å; F121-F476 HydrophobicContact CZ-CE2 4.1Å; F121-F476 HydrophobicContact CZ-CZ 4.15Å
122N97.8Very high96.3Very high31 Ų3133.5 Ų33.517%0.16620%0.201CC..Hα-helixtrans-68.3-37169-76-25000112S118 V119 L124 M125 K126 S132 L133 Y134S118-N122 WeakPolarHBondContact O-CB 3.43Å; S118-N122 VanDerWaalsContact O-CG 3.24Å; S118-N122 PolarHBondContact O-N 3.46Å; S118-N122 PolarHBondContact O-ND2 3.38Å; V119-N122 PolarHBondContact O-N 3.21Å; N122-L124 VanDerWaalsContact C-N 3.32Å; N122-M125 PolarHBondContact O-N 3.34Å; N122-K126 VanDerWaalsContact O-CB 3.3Å; N122-K126 WeakPolarHBondContact O-CB 3.45Å; N122-K126 PolarHBondContact O-N 2.83Å; N122-S132 WeakPolarHBondContact OD1-CA 3.45Å; N122-S132 VanDerWaalsContact OD1-CB 3.29Å; N122-S132 WeakPolarHBondContact OD1-CB 3.48Å; N122-L133 PolarHBondContact OD1-N 3.12Å; N122-Y134 PolarHBondContact ND2-O 3.25Å; N122-Y134 WeakPolarHBondContact OD1-CB 3.19Å; N122-Y134 PolarHBondContact OD1-N 3.43Å
123Q94.8Very high96.2Very high66 Ų6633.6 Ų33.631%0.30820%0.202SC..Hα-helixtrans-62.6-39.5171.8-76.31792.900111.8V119 S120 K126 G127V119-Q123 WeakPolarHBondContact O-CB 3.5Å; V119-Q123 VanDerWaalsContact O-CG 3.29Å; V119-Q123 WeakPolarHBondContact O-CG 3.41Å; V119-Q123 PolarHBondContact O-N 3.22Å; S120-Q123 PolarHBondContact O-N 3.37Å; Q123-K126 PolarHBondContact O-N 3.02Å; Q123-G127 PolarHBondContact O-N 3.19Å
124L93.6Very high96.2Very high0 Ų034 Ų340%020%0.204CC..Hα-helixtrans-58.8-52.8173.7-179.9157.7000111S120 F121 N122 K126 G127 L128 L275 H278 F472S120-L124 PolarHBondContact O-N 3.36Å; F121-L124 HydrophobicContact CD1-CD1 4.21Å; F121-L124 HydrophobicContact CE1-CD1 4.34Å; F121-L124 WeakPolarHBondContact O-CB 3.07Å; F121-L124 PolarHBondContact O-N 2.93Å; N122-L124 VanDerWaalsContact C-N 3.32Å; L124-K126 PolarHBondContact O-N 3.05Å; L124-G127 PolarHBondContact O-N 3.39Å; L124-L128 HydrophobicContact CD2-CD1 3.84Å; L124-L128 PolarHBondContact O-N 3.17Å; L124-L275 HydrophobicContact CD1-CD2 4.13Å; L124-H278 HydrophobicContact CD2-CB 4.42Å; L124-F472 HydrophobicContact CB-CD1 4.03Å; L124-F472 HydrophobicContact CB-CE1 3.48Å; L124-F472 VanDerWaalsContact CB-CE1 3.48Å; L124-F472 HydrophobicContact CB-CE2 4.32Å; L124-F472 HydrophobicContact CB-CZ 3.66Å; L124-F472 HydrophobicContact CD1-CD1 4Å; L124-F472 HydrophobicContact CD1-CD2 3.75Å; L124-F472 HydrophobicContact CD1-CE1 4.11Å; L124-F472 HydrophobicContact CD1-CE2 3.86Å; L124-F472 HydrophobicContact CD1-CG 3.83Å; L124-F472 HydrophobicContact CD1-CZ 4.05Å; L124-F472 HydrophobicContact CG-CD1 4.23Å; L124-F472 HydrophobicContact CG-CD2 4.13Å; L124-F472 HydrophobicContact CG-CE1 3.81Å; L124-F472 HydrophobicContact CG-CE2 3.69Å; L124-F472 HydrophobicContact CG-CG 4.38Å; L124-F472 HydrophobicContact CG-CZ 3.53Å
125M94.9Very high96.2Very high5 Ų534.7 Ų34.73%0.02521%0.208CC..Hα-helixtrans-60.1-45179.1-68.6-170.78400111.9L94 F121 N122 G127 L128 G129 Q130 K131 L133 Y134L94-M125 HydrophobicContact CD2-CE 4.14Å; L94-M125 HydrophobicContact CD2-SD 4.28Å; F121-M125 VanDerWaalsContact O-CG 3.31Å; F121-M125 WeakPolarHBondContact O-CG 3.41Å; F121-M125 PolarHBondContact O-N 3.28Å; N122-M125 PolarHBondContact O-N 3.34Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 3.26Å; M125-L128 CarbonylContact O-C 3.53Å; M125-L128 PolarHBondContact O-N 3.49Å; M125-G129 PolarHBondContact O-N 3.21Å; M125-Q130 HydrophobicContact CB-CB 4.03Å; M125-Q130 HydrophobicContact CE-CB 3.97Å; M125-Q130 WeakPolarHBondContact O-CB 3.21Å; M125-Q130 PolarHBondContact O-N 3.36Å; M125-K131 WeakPolarHBondContact CE-O 3.48Å; M125-L133 HydrophobicContact CE-CB 4.29Å; M125-L133 HydrophobicContact CE-CD1 3.84Å; M125-L133 HydrophobicContact CE-CG 3.88Å; M125-L133 HydrophobicContact SD-CB 4.04Å; M125-L133 HydrophobicContact SD-CG 4.27Å; M125-Y134 HydrophobicContact SD-CD2 3.94Å; M125-Y134 HydrophobicContact SD-CE2 3.78Å
126K93.8Very high96.2Very high128 Ų12834.8 Ų34.856%0.55721%0.208SC*.Hα-helixtrans-59.3-41.5177.3-173.2179.2-177.5-178.80111.8N122 Q123 L124 L128 G129 D370N122-K126 VanDerWaalsContact O-CB 3.3Å; N122-K126 WeakPolarHBondContact O-CB 3.45Å; N122-K126 PolarHBondContact O-N 2.83Å; Q123-K126 PolarHBondContact O-N 3.02Å; L124-K126 PolarHBondContact O-N 3.05Å; K126-L128 PolarHBondContact O-N 3.49Å; K126-G129 PolarHBondContact O-N 3.12Å; K126-D370 IonicContact NZ-OD2 2.83Å; K126-D370 PolarHBondContact NZ-OD2 3.23Å
127G89.9Confident96.2Very high65 Ų6535.2 Ų35.267%0.6721%0.21SC*.Hα-helixtrans-61.7-23.8176.300000113.9Q123 L124 M125Q123-G127 PolarHBondContact O-N 3.19Å; L124-G127 PolarHBondContact O-N 3.39Å; M125-G127 VanDerWaalsContact C-N 3.31Å; M125-G127 PolarHBondContact O-N 3.26Å
128L89.8Confident96.2Very high79 Ų7935.5 Ų35.541%0.41421%0.212SC..THydrogen-bonded Turntrans-97.95.9176.6-60.4171.3000113L124 M125 K126 Q130 D282 Y468L124-L128 HydrophobicContact CD2-CD1 3.84Å; L124-L128 PolarHBondContact O-N 3.17Å; M125-L128 CarbonylContact O-C 3.53Å; M125-L128 PolarHBondContact O-N 3.49Å; K126-L128 PolarHBondContact O-N 3.49Å; L128-Q130 HydrophobicContact CB-CG 4.03Å; L128-Q130 PolarHBondContact O-N 2.92Å; L128-D282 WeakPolarHBondContact CD1-OD2 3.46Å; L128-Y468 HydrophobicContact CD1-CE2 3.75Å; L128-Y468 WeakPolarHBondContact CD1-OH 3.48Å; L128-Y468 HydrophobicContact CD2-CE2 4.2Å
129G94.1Very high96.2Very high75 Ų7535.4 Ų35.477%0.77321%0.211SC*.THydrogen-bonded Turntrans7019.2-176.200000114M125 K126M125-G129 PolarHBondContact O-N 3.21Å; K126-G129 PolarHBondContact O-N 3.12Å
130Q95.6Very high96.1Very high60 Ų6035.6 Ų35.628%0.2822%0.215SC..PPolyproline II helixtrans-93.3154.2179.5-59.3172.6-8.600111.3M125 L128 D282M125-Q130 HydrophobicContact CB-CB 4.03Å; M125-Q130 HydrophobicContact CE-CB 3.97Å; M125-Q130 WeakPolarHBondContact O-CB 3.21Å; M125-Q130 PolarHBondContact O-N 3.36Å; L128-Q130 HydrophobicContact CB-CG 4.03Å; L128-Q130 PolarHBondContact O-N 2.92Å; Q130-D282 PolarHBondContact NE2-OD1 3.41Å; Q130-D282 PolarHBondContact NE2-OD2 3.42Å
131K96.3Very high96.1Very high117 Ų11736.5 Ų36.551%0.50922%0.224SC..PPolyproline II helixtrans-71.1134.1175.2-179.1-175.8179.8-174.80110.4D98 M125 L133D98-K131 IonicContact OD1-NZ 3.68Å; M125-K131 WeakPolarHBondContact CE-O 3.48Å; K131-L133 PolarHBondContact O-N 3.09Å
132S97Very high96.1Very high64 Ų6436.9 Ų36.945%0.44823%0.226SC..PPolyproline II helixtrans-57.6126.5173-60.80000112.1N122N122-S132 WeakPolarHBondContact OD1-CA 3.45Å; N122-S132 VanDerWaalsContact OD1-CB 3.29Å; N122-S132 WeakPolarHBondContact OD1-CB 3.48Å
133L98.4Very high96Very high3 Ų338.4 Ų38.42%0.01623%0.229CC..  trans-118.70.3178.9-65.2-179.6000113.6L94 P97 L101 V102 N122 M125 K131L94-L133 HydrophobicContact CD2-CD1 3.97Å; P97-L133 HydrophobicContact CB-CD1 4.1Å; P97-L133 HydrophobicContact CB-CD2 3.98Å; P97-L133 HydrophobicContact CB-CG 4.5Å; L101-L133 WeakPolarHBondContact CD1-O 3.3Å; V102-L133 PolarHBondContact N-O 3.08Å; N122-L133 PolarHBondContact OD1-N 3.12Å; M125-L133 HydrophobicContact CE-CB 4.29Å; M125-L133 HydrophobicContact CE-CD1 3.84Å; M125-L133 HydrophobicContact CE-CG 3.88Å; M125-L133 HydrophobicContact SD-CB 4.04Å; M125-L133 HydrophobicContact SD-CG 4.27Å; K131-L133 PolarHBondContact O-N 3.09Å
134Y98.8Very high96.1Very high9 Ų935.4 Ų35.44%0.03522%0.216CC..EExtended strand (participates in β ladder)trans-102.7143-179.3-64.2-97.3000111.5L94 V102 L104 F121 N122 M125 L274 H278L94-Y134 HydrophobicContact CD2-CE2 4.06Å; V102-Y134 HydrophobicContact CB-CD1 3.67Å; V102-Y134 HydrophobicContact CB-CE1 3.71Å; V102-Y134 HydrophobicContact CB-CG 4.35Å; V102-Y134 HydrophobicContact CG1-CD1 3.73Å; V102-Y134 HydrophobicContact CG1-CE1 3.6Å; V102-Y134 HydrophobicContact CG2-CD1 4.46Å; V102-Y134 HydrophobicContact CG2-CE1 4.08Å; V102-Y134 CarbonylContact O-C 3.54Å; V102-Y134 VanDerWaalsContact O-CA 3.32Å; V102-Y134 WeakPolarHBondContact O-CA 3.47Å; L104-Y134 HydrophobicContact CD1-CD1 3.87Å; F121-Y134 HydrophobicContact CB-CD1 4.22Å; F121-Y134 HydrophobicContact CB-CD2 3.75Å; F121-Y134 HydrophobicContact CB-CE1 4.18Å; F121-Y134 HydrophobicContact CB-CE2 3.73Å; F121-Y134 HydrophobicContact CB-CG 4.01Å; N122-Y134 PolarHBondContact ND2-O 3.25Å; N122-Y134 WeakPolarHBondContact OD1-CB 3.19Å; N122-Y134 PolarHBondContact OD1-N 3.43Å; M125-Y134 HydrophobicContact SD-CD2 3.94Å; M125-Y134 HydrophobicContact SD-CE2 3.78Å; Y134-L274 HydrophobicContact CE1-CD1 4.16Å; Y134-L274 HydrophobicContact CE1-CD2 3.95Å; Y134-H278 AromaticContact CE2-CE1 3.97Å; Y134-H278 AromaticContact CE2-NE2 3.47Å; Y134-H278 WeakPolarHBondContact CE2-NE2 3.16Å; Y134-H278 AromaticContact CZ-NE2 3.52Å; Y134-H278 PolarHBondContact OH-NE2 3.29Å
135T98.8Very high96.3Very high14 Ų1435.5 Ų35.59%0.08622%0.217CC..EExtended strand (participates in β ladder)trans-142.7163.6166.6-166.10000110L101 V102 V103 L104 V166 N373L101-T135 HydrophobicContact CD1-CG2 4.06Å; L101-T135 HydrophobicContact CD2-CG2 4.06Å; L101-T135 HydrophobicContact CG-CG2 4.24Å; V102-T135 PolarHBondContact O-N 2.93Å; V103-T135 WeakPolarHBondContact CA-O 3.45Å; V103-T135 HydrophobicContact CB-CG2 4.31Å; V103-T135 HydrophobicContact CG1-CG2 4.28Å; V103-T135 HydrophobicContact CG2-CG2 3.81Å; L104-T135 PolarHBondContact N-O 3.47Å; T135-V166 HydrophobicContact CG2-CB 4.37Å; T135-V166 HydrophobicContact CG2-CG2 4.45Å; T135-N373 PolarHBondContact OG1-ND2 2.68Å; T135-N373 VanDerWaalsContact OG1-ND2 3.15Å; T135-N373 PolarHBondContact OG1-OD1 3.47Å
136Y98.8Very high96.2Very high3 Ų336 Ų361%0.01222%0.219CC..EExtended strand (participates in β ladder)trans-120.1151.4178.369.1-80.9000111.3L104 F115 S118 I138 D142 F372 N373L104-Y136 CarbonylContact O-C 3.5Å; L104-Y136 VanDerWaalsContact O-CA 3.22Å; L104-Y136 WeakPolarHBondContact O-CA 3.43Å; F115-Y136 HydrophobicContact CB-CD1 4.49Å; F115-Y136 HydrophobicContact CB-CD2 3.97Å; F115-Y136 HydrophobicContact CB-CE2 4.39Å; F115-Y136 HydrophobicContact CB-CG 4.04Å; F115-Y136 AromaticContact CD2-CD1 3.86Å; F115-Y136 HydrophobicContact CD2-CD1 3.86Å; F115-Y136 HydrophobicContact CD2-CD2 4.14Å; F115-Y136 AromaticContact CD2-CE1 3.53Å; F115-Y136 HydrophobicContact CD2-CE1 3.53Å; F115-Y136 AromaticContact CD2-CE2 3.84Å; F115-Y136 HydrophobicContact CD2-CE2 3.84Å; F115-Y136 HydrophobicContact CD2-CG 4.15Å; F115-Y136 AromaticContact CD2-CZ 3.52Å; F115-Y136 HydrophobicContact CE2-CE1 4.06Å; S118-Y136 VanDerWaalsContact OG-CD1 3.27Å; S118-Y136 WeakPolarHBondContact OG-CD1 3.18Å; Y136-I138 HydrophobicContact CD2-CG2 4.08Å; Y136-I138 HydrophobicContact CE2-CG2 3.97Å; Y136-D142 WeakPolarHBondContact CE2-OD1 3.48Å; Y136-D142 VanDerWaalsContact CZ-OD1 3.31Å; Y136-D142 PolarHBondContact OH-OD1 2.93Å; Y136-D142 PolarHBondContact OH-OD2 3.42Å; Y136-F372 WeakPolarHBondContact OH-CA 3.48Å; Y136-N373 HydrophobicContact CE1-CB 4.24Å; Y136-N373 WeakPolarHBondContact CE1-ND2 3.34Å; Y136-N373 PolarHBondContact O-ND2 2.88Å; Y136-N373 PolarHBondContact OH-N 3.42Å
137L98.8Very high96.3Very high9 Ų930.3 Ų30.35%0.04720%0.197CC..EExtended strand (participates in β ladder)trans-129.3108.9169.5-66.6-179.8000108.8V103 L104 S105 G106 E162 L163 V166V103-L137 HydrophobicContact CG1-CD1 3.72Å; V103-L137 HydrophobicContact CG1-CG 3.83Å; L104-L137 PolarHBondContact O-N 3.44Å; S105-L137 WeakPolarHBondContact CA-O 3.46Å; S105-L137 WeakPolarHBondContact CB-O 3.32Å; S105-L137 VanDerWaalsContact OG-CB 3.31Å; S105-L137 WeakPolarHBondContact OG-CB 3.45Å; S105-L137 PolarHBondContact OG-O 2.96Å; G106-L137 PolarHBondContact N-O 3.31Å; G106-L137 VanDerWaalsContact N-O 3.1Å; L137-E162 HydrophobicContact CD1-CB 4.32Å; L137-E162 HydrophobicContact CD2-CB 3.97Å; L137-L163 HydrophobicContact CD1-CB 4.02Å; L137-L163 HydrophobicContact CD1-CD1 4.27Å; L137-V166 HydrophobicContact CD1-CG2 3.97Å; L137-V166 HydrophobicContact CD2-CG1 3.74Å; L137-V166 HydrophobicContact CD2-CG2 4.15Å; L137-V166 HydrophobicContact CG-CG2 4.29Å
138I98.6Very high96.4Very high7 Ų728.7 Ų28.74%0.03618%0.175CC..EExtended strand (participates in β ladder)trans-104.5134.3173.9179.9168.1000109.5G106 R112 Y136 G140 G141 V145G106-I138 WeakPolarHBondContact O-CA 3.16Å; R112-I138 HydrophobicContact CG-CD1 3.81Å; Y136-I138 HydrophobicContact CD2-CG2 4.08Å; Y136-I138 HydrophobicContact CE2-CG2 3.97Å; I138-G140 PolarHBondContact O-N 3.47Å; I138-G141 VanDerWaalsContact CG2-O 3.24Å; I138-G141 WeakPolarHBondContact CG2-O 3.41Å; I138-G141 PolarHBondContact O-N 3.49Å; I138-G141 VanDerWaalsContact O-N 3.09Å; I138-V145 HydrophobicContact CD1-CG2 4.31Å; I138-V145 HydrophobicContact CG2-CG2 4.31Å
139A98.1Very high96.7Very high1 Ų129.5 Ų29.51%0.00817%0.173CC..THydrogen-bonded Turntrans-56126.9174.100000110.1G106 S144 T152 E153 F186G106-A139 PolarHBondContact O-N 2.98Å; A139-S144 WeakPolarHBondContact O-CB 3.47Å; A139-S144 PolarHBondContact O-OG 3.17Å; A139-T152 PolarHBondContact O-OG1 3Å; A139-T152 VanDerWaalsContact O-OG1 3.11Å; A139-E153 HydrophobicContact CB-CB 3.92Å; A139-F186 HydrophobicContact CB-CB 4.42Å; A139-F186 HydrophobicContact CB-CD1 4.06Å; A139-F186 HydrophobicContact CB-CD2 3.98Å; A139-F186 HydrophobicContact CB-CE1 4.23Å; A139-F186 HydrophobicContact CB-CE2 4.19Å; A139-F186 HydrophobicContact CB-CG 3.92Å; A139-F186 HydrophobicContact CB-CZ 4.32Å
140G96.1Very high96.6Very high11 Ų1126.5 Ų26.511%0.11314%0.138CC..THydrogen-bonded Turntrans856.9-178.600000116.3I138 S144 T152 H158I138-G140 PolarHBondContact O-N 3.47Å; G140-S144 WeakPolarHBondContact CA-OG 3.45Å; G140-S144 PolarHBondContact O-OG 3.17Å; G140-T152 WeakPolarHBondContact CA-OG1 3.3Å; G140-T152 PolarHBondContact N-OG1 2.86Å; G140-H158 PolarHBondContact N-NE2 3.31Å
141G97.1Very high96.4Very high20 Ų2025.2 Ų25.221%0.20614%0.141CC..  trans76.4-166.9172.600000114.2I138 R143 S144I138-G141 VanDerWaalsContact CG2-O 3.24Å; I138-G141 WeakPolarHBondContact CG2-O 3.41Å; I138-G141 PolarHBondContact O-N 3.49Å; I138-G141 VanDerWaalsContact O-N 3.09Å; G141-R143 PolarHBondContact O-N 3.21Å; G141-R143 VanDerWaalsContact O-N 3.16Å; G141-S144 WeakPolarHBondContact O-CB 3.4Å; G141-S144 PolarHBondContact O-N 3.5Å
142D96.3Very high96.4Very high7 Ų721.4 Ų21.44%0.03713%0.128CC..THydrogen-bonded Turntrans-64-27.6-172.5-76.71000112Y136 S144 V145 F372 N373 Q374 E377 L378Y136-D142 WeakPolarHBondContact CE2-OD1 3.48Å; Y136-D142 VanDerWaalsContact CZ-OD1 3.31Å; Y136-D142 PolarHBondContact OH-OD1 2.93Å; Y136-D142 PolarHBondContact OH-OD2 3.42Å; D142-S144 PolarHBondContact O-N 3.26Å; D142-V145 VanDerWaalsContact O-CB 3.25Å; D142-V145 WeakPolarHBondContact O-CB 3.44Å; D142-V145 WeakPolarHBondContact O-CG2 3.26Å; D142-V145 PolarHBondContact O-N 3.33Å; D142-F372 HydrophobicContact CB-CD1 4.21Å; D142-N373 PolarHBondContact OD2-N 3.04Å; D142-Q374 WeakPolarHBondContact OD2-CA 3.26Å; D142-Q374 PolarHBondContact OD2-N 3.13Å; D142-E377 HydrophobicContact CB-CB 4.42Å; D142-E377 PolarHBondContact N-OE2 3.34Å; D142-E377 VanDerWaalsContact N-OE2 3.08Å; D142-L378 HydrophobicContact CB-CD1 4.31Å; D142-L378 HydrophobicContact CB-CG 4.33Å
143R96.1Very high96.3Very high63 Ų6318.8 Ų18.824%0.23811%0.109CC..Hα-helixtrans-52.6-35.5170.6-69.5-177.4-175.591-4.6113.1G141 V145 V146 A147 E377 L378 F385G141-R143 PolarHBondContact O-N 3.21Å; G141-R143 VanDerWaalsContact O-N 3.16Å; R143-V145 PolarHBondContact O-N 3.41Å; R143-V146 PolarHBondContact O-N 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.32Å; R143-A147 PolarHBondContact O-N 3.16Å; R143-E377 HydrophobicContact CG-CB 4.21Å; R143-E377 WeakPolarHBondContact CG-O 3.22Å; R143-E377 PolarHBondContact NE-O 2.99Å; R143-E377 VanDerWaalsContact NE-O 3.13Å; R143-E377 IonicContact NH1-OE1 2.87Å; R143-E377 IonicContact NH1-OE2 3.61Å; R143-L378 HydrophobicContact CG-CD2 4.28Å; R143-F385 HydrophobicContact CB-CD1 4.21Å; R143-F385 HydrophobicContact CB-CE1 3.76Å; R143-F385 HydrophobicContact CG-CD1 4.21Å; R143-F385 HydrophobicContact CG-CE1 3.89Å; R143-F385 HydrophobicContact CG-CZ 4.33Å
144S97.3Very high96.2Very high3 Ų320 Ų202%0.02112%0.115CC..Hα-helixtrans-72.3-15.6179.4-60.80000113.1R112 A139 G140 G141 D142 V146 A147 R149R112-S144 VanDerWaalsContact CZ-O 3.25Å; R112-S144 PolarHBondContact NE-O 3.11Å; R112-S144 PolarHBondContact NH2-O 3.01Å; A139-S144 WeakPolarHBondContact O-CB 3.47Å; A139-S144 PolarHBondContact O-OG 3.17Å; G140-S144 WeakPolarHBondContact CA-OG 3.45Å; G140-S144 PolarHBondContact O-OG 3.17Å; G141-S144 WeakPolarHBondContact O-CB 3.4Å; G141-S144 PolarHBondContact O-N 3.5Å; D142-S144 PolarHBondContact O-N 3.26Å; S144-V146 VanDerWaalsContact C-N 3.3Å; S144-A147 VanDerWaalsContact O-O 3.13Å; S144-R149 WeakPolarHBondContact OG-CB 3.5Å
145V96.9Very high96.2Very high3 Ų321.2 Ų21.22%0.01813%0.125CC..Hα-helixtrans-64.5-40.5173.5179.30000110.1R112 F115 I138 D142 R143 I343 F372R112-V145 VanDerWaalsContact CD-O 3.3Å; R112-V145 WeakPolarHBondContact CD-O 3.05Å; R112-V145 PolarHBondContact NE-O 3.42Å; F115-V145 HydrophobicContact CD1-CG1 4.08Å; F115-V145 HydrophobicContact CD2-CG2 4.45Å; F115-V145 HydrophobicContact CE1-CG1 4Å; F115-V145 HydrophobicContact CG-CG2 4.38Å; F115-V145 HydrophobicContact CZ-CG1 4.41Å; I138-V145 HydrophobicContact CD1-CG2 4.31Å; I138-V145 HydrophobicContact CG2-CG2 4.31Å; D142-V145 VanDerWaalsContact O-CB 3.25Å; D142-V145 WeakPolarHBondContact O-CB 3.44Å; D142-V145 WeakPolarHBondContact O-CG2 3.26Å; D142-V145 PolarHBondContact O-N 3.33Å; R143-V145 PolarHBondContact O-N 3.41Å; V145-I343 VanDerWaalsContact O-CG2 3.32Å; V145-I343 WeakPolarHBondContact O-CG2 3.34Å; V145-F372 HydrophobicContact CB-CE1 4.17Å; V145-F372 HydrophobicContact CG1-CE1 4.02Å; V145-F372 HydrophobicContact CG1-CZ 4.44Å; V145-F372 HydrophobicContact CG2-CE1 4.32Å
146V94.4Very high96.2Very high14 Ų1420.6 Ų20.69%0.08512%0.121CC..Hα-helixtrans-107.2-13.4-173.3-56.40000114.1R143 S144 I343 L378 F385 F387R143-V146 PolarHBondContact O-N 3.28Å; S144-V146 VanDerWaalsContact C-N 3.3Å; V146-I343 HydrophobicContact CB-CG2 4.45Å; V146-I343 HydrophobicContact CG1-CG2 4.14Å; V146-L378 HydrophobicContact CG2-CD2 3.63Å; V146-F385 HydrophobicContact CG2-CB 4.14Å; V146-F385 HydrophobicContact CG2-CD1 3.94Å; V146-F387 HydrophobicContact CB-CB 4.31Å; V146-F387 HydrophobicContact CG1-CB 3.58Å; V146-F387 HydrophobicContact CG1-CD1 3.83Å; V146-F387 HydrophobicContact CG1-CD2 4.4Å; V146-F387 HydrophobicContact CG1-CG 3.67Å
147A95.1Very high96.2Very high10 Ų1024 Ų248%0.08314%0.139CC..SBendtrans-128.7156.5-178.700000113.3R112 R143 S144 R149 F385R112-A147 PolarHBondContact NH2-O 3.13Å; R143-A147 WeakPolarHBondContact O-CB 3.32Å; R143-A147 PolarHBondContact O-N 3.16Å; S144-A147 VanDerWaalsContact O-O 3.13Å; A147-R149 HydrophobicContact CB-CG 4.46Å; A147-R149 PolarHBondContact O-N 3Å; A147-F385 HydrophobicContact CB-CD1 3.97Å; A147-F385 HydrophobicContact CB-CE1 3.76Å
148S93.1Very high96.2Very high30 Ų3025.8 Ų25.821%0.2115%0.147CC..  trans-78.3111175.8-173.30000108.9E150 V347S148-E150 WeakPolarHBondContact CA-OE1 3.5Å; S148-E150 WeakPolarHBondContact CB-OE1 3.38Å; S148-E150 PolarHBondContact OG-OE1 2.79Å; S148-E150 PolarHBondContact OG-OE2 2.95Å; S148-V347 VanDerWaalsContact N-CG2 3.35Å
149R94.8Very high96.2Very high97 Ų9725.5 Ų25.537%0.36615%0.146SC..  trans-140.943.9-175.3-65.9176.662.274-1.1111.3S144 A147 G151 T152S144-R149 WeakPolarHBondContact OG-CB 3.5Å; A147-R149 HydrophobicContact CB-CG 4.46Å; A147-R149 PolarHBondContact O-N 3Å; R149-G151 VanDerWaalsContact C-N 3.27Å; R149-G151 PolarHBondContact O-N 3.04Å; R149-T152 HydrophobicContact CB-CG2 4.3Å; R149-T152 WeakPolarHBondContact O-CB 3.38Å; R149-T152 WeakPolarHBondContact O-CG2 3.48Å; R149-T152 PolarHBondContact O-N 3.13Å; R149-T152 PolarHBondContact O-OG1 2.74Å
150E91.7Very high96.2Very high11 Ų1125.8 Ų25.85%0.05115%0.147CC..G310 helixtrans-62.5-32.1-166-67.363.6-146.100112.6S148 T152 E153 H351 S511 N512S148-E150 WeakPolarHBondContact CA-OE1 3.5Å; S148-E150 WeakPolarHBondContact CB-OE1 3.38Å; S148-E150 PolarHBondContact OG-OE1 2.79Å; S148-E150 PolarHBondContact OG-OE2 2.95Å; E150-T152 PolarHBondContact O-N 2.93Å; E150-T152 VanDerWaalsContact O-N 3.16Å; E150-E153 WeakPolarHBondContact O-CG 3.38Å; E150-E153 PolarHBondContact O-N 2.87Å; E150-E153 VanDerWaalsContact O-N 3.14Å; E150-H351 IonicContact OE1-CE1 3.89Å; E150-H351 IonicContact OE1-ND1 2.83Å; E150-H351 PolarHBondContact OE1-ND1 3.49Å; E150-S511 CarbonylContact C-O 3.58Å; E150-N512 HydrophobicContact CB-CB 4.19Å; E150-N512 PolarHBondContact O-ND2 2.85Å
151G92.1Very high96.4Very high33 Ų3330.2 Ų30.234%0.3417%0.165SC..G310 helixtrans-64.9-19.3-178.100000113.5R149 E153 D154 S511R149-G151 VanDerWaalsContact C-N 3.27Å; R149-G151 PolarHBondContact O-N 3.04Å; G151-E153 PolarHBondContact O-N 3.02Å; G151-D154 PolarHBondContact O-N 3.36Å; G151-S511 WeakPolarHBondContact CA-O 3.45Å; G151-S511 PolarHBondContact N-O 3.16Å
152T95.3Very high96.4Very high37 Ų3731 Ų3123%0.22716%0.163CC..G310 helixtrans-66.9-18.2176.362.50000112.9A139 G140 R149 E150 D154A139-T152 PolarHBondContact O-OG1 3Å; A139-T152 VanDerWaalsContact O-OG1 3.11Å; G140-T152 WeakPolarHBondContact CA-OG1 3.3Å; G140-T152 PolarHBondContact N-OG1 2.86Å; R149-T152 HydrophobicContact CB-CG2 4.3Å; R149-T152 WeakPolarHBondContact O-CB 3.38Å; R149-T152 WeakPolarHBondContact O-CG2 3.48Å; R149-T152 PolarHBondContact O-N 3.13Å; R149-T152 PolarHBondContact O-OG1 2.74Å; E150-T152 PolarHBondContact O-N 2.93Å; E150-T152 VanDerWaalsContact O-N 3.16Å; T152-D154 VanDerWaalsContact C-N 3.26Å; T152-D154 PolarHBondContact O-N 3.4Å
153E95.4Very high96.5Very high10 Ų1030.7 Ų30.75%0.04716%0.161CC..G310 helixtrans-76.4-11.3178.188.3-173.7-157.600113.5A139 E150 G151 S155 A184 P185 F186 N512 K514A139-E153 HydrophobicContact CB-CB 3.92Å; E150-E153 WeakPolarHBondContact O-CG 3.38Å; E150-E153 PolarHBondContact O-N 2.87Å; E150-E153 VanDerWaalsContact O-N 3.14Å; G151-E153 PolarHBondContact O-N 3.02Å; E153-S155 VanDerWaalsContact C-N 3.31Å; E153-S155 PolarHBondContact O-N 2.84Å; E153-A184 HydrophobicContact CG-CB 4.35Å; E153-P185 VanDerWaalsContact O-CD 3.24Å; E153-P185 WeakPolarHBondContact O-CD 3.2Å; E153-F186 HydrophobicContact CB-CB 4.47Å; E153-F186 WeakPolarHBondContact O-CB 3.47Å; E153-F186 PolarHBondContact O-N 3.27Å; E153-N512 PolarHBondContact OE1-ND2 3.41Å; E153-K514 IonicContact OE1-NZ 3.33Å; E153-K514 PolarHBondContact OE1-NZ 3.36Å
154D97.5Very high96.6Very high27 Ų2732.5 Ų32.514%0.14417%0.171CC..G310 helixtrans-82.51.4-175.3-75.4-33.5000115G151 T152 P185 N512 S513G151-D154 PolarHBondContact O-N 3.36Å; T152-D154 VanDerWaalsContact C-N 3.26Å; T152-D154 PolarHBondContact O-N 3.4Å; D154-P185 WeakPolarHBondContact O-CB 3.33Å; D154-N512 WeakPolarHBondContact OD2-CA 3.48Å; D154-N512 WeakPolarHBondContact OD2-CB 3.32Å; D154-S513 WeakPolarHBondContact OD1-CB 3.23Å; D154-S513 PolarHBondContact OD1-OG 3.19Å; D154-S513 PolarHBondContact OD2-N 2.88Å
155S98.4Very high96.7Very high36 Ų3638.6 Ų38.625%0.25220%0.197SC..  trans-107.8117174.1173.80000111.9E153 L157 H158 F186 D221E153-S155 VanDerWaalsContact C-N 3.31Å; E153-S155 PolarHBondContact O-N 2.84Å; S155-L157 PolarHBondContact OG-N 2.87Å; S155-H158 WeakPolarHBondContact OG-CB 3.29Å; S155-H158 PolarHBondContact OG-N 3.43Å; S155-F186 VanDerWaalsContact O-CA 3.3Å; S155-F186 WeakPolarHBondContact O-CA 3.11Å; S155-D221 VanDerWaalsContact CA-OD2 3.28Å; S155-D221 WeakPolarHBondContact CA-OD2 3.42Å; S155-D221 WeakPolarHBondContact CB-OD2 3.21Å; S155-D221 PolarHBondContact OG-OD2 3.38Å
156A98.8Very high96.7Very high0 Ų040.3 Ų40.30%021%0.208CC..Hα-helixtrans-70.2-37.7171.400000111.7H158 G159 I160 P185 I219 D221 W222A156-H158 PolarHBondContact O-N 3.16Å; A156-G159 PolarHBondContact O-N 3.01Å; A156-I160 WeakPolarHBondContact O-CG1 3.43Å; A156-I160 PolarHBondContact O-N 2.85Å; A156-I160 VanDerWaalsContact O-N 3.12Å; A156-P185 WeakPolarHBondContact CA-O 3.31Å; A156-P185 HydrophobicContact CB-CB 4.46Å; A156-I219 HydrophobicContact CB-CG2 4.17Å; A156-D221 WeakPolarHBondContact CB-OD1 3.24Å; A156-D221 PolarHBondContact N-OD1 2.88Å; A156-D221 PolarHBondContact N-OD2 2.72Å; A156-D221 VanDerWaalsContact N-OD2 3.09Å; A156-W222 HydrophobicContact CB-CB 3.7Å; A156-W222 HydrophobicContact CB-CD2 4.04Å; A156-W222 HydrophobicContact CB-CE3 4.28Å; A156-W222 HydrophobicContact CB-CG 3.8Å
157L98.6Very high96.9Very high76 Ų7640 Ų4040%0.39821%0.207SC..Hα-helixtrans-62.6-42.6178.9-67.6176.9000111.6S155 G159 I160 E161 D221 W222S155-L157 PolarHBondContact OG-N 2.87Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3Å; L157-I160 PolarHBondContact O-N 3.24Å; L157-I160 VanDerWaalsContact O-N 3.12Å; L157-E161 WeakPolarHBondContact O-CG 3.32Å; L157-E161 PolarHBondContact O-N 3.23Å; L157-D221 WeakPolarHBondContact CB-OD2 3.25Å; L157-D221 HydrophobicContact CD1-CB 4.07Å; L157-D221 HydrophobicContact CG-CB 4.28Å; L157-D221 PolarHBondContact N-OD2 3.17Å; L157-W222 HydrophobicContact CD2-CE3 3.87Å; L157-W222 HydrophobicContact CD2-CZ3 3.58Å; L157-W222 HydrophobicContact CG-CE3 4.45Å
158H98.4Very high97Very high46 Ų4643 Ų4321%0.21323%0.231CC..Hα-helixtrans-54.8-45.7174.2177.940.8000111.5G140 S155 A156 I160 E161 E162 F186G140-H158 PolarHBondContact N-NE2 3.31Å; S155-H158 WeakPolarHBondContact OG-CB 3.29Å; S155-H158 PolarHBondContact OG-N 3.43Å; A156-H158 PolarHBondContact O-N 3.16Å; H158-I160 VanDerWaalsContact C-N 3.34Å; H158-I160 PolarHBondContact O-N 3.02Å; H158-E161 PolarHBondContact O-N 3.38Å; H158-E162 WeakPolarHBondContact O-CG 3.3Å; H158-E162 PolarHBondContact O-N 3.2Å; H158-E162 VanDerWaalsContact O-N 3.13Å; H158-F186 HydrophobicContact CB-CD2 4.27Å; H158-F186 HydrophobicContact CB-CE2 4.41Å; H158-F186 AromaticContact CD2-CD2 3.51Å; H158-F186 AromaticContact CD2-CE2 3.28Å; H158-F186 WeakPolarHBondContact CD2-CE2 3.35Å; H158-F186 AromaticContact CG-CE2 3.81Å; H158-F186 AromaticContact NE2-CE2 3.59Å
159G98.6Very high97.2Very high0 Ų045.4 Ų45.40%026%0.261CS..Hα-helixtrans-61-41.3177.300000113.4A156 L157 L163 F186 Q190A156-G159 PolarHBondContact O-N 3.01Å; L157-G159 VanDerWaalsContact C-N 3.29Å; L157-G159 PolarHBondContact O-N 3Å; G159-L163 WeakPolarHBondContact O-CB 3.26Å; G159-L163 PolarHBondContact O-N 3.35Å; G159-L163 VanDerWaalsContact O-N 3.11Å; G159-F186 VanDerWaalsContact N-CD2 3.29Å; G159-Q190 VanDerWaalsContact C-CG 3.46Å; G159-Q190 WeakPolarHBondContact O-CG 3.09Å; G159-Q190 PolarHBondContact O-NE2 2.96Å
160I98.8Very high97.4Very high8 Ų843.8 Ų43.84%0.04126%0.257CS..Hα-helixtrans-66.9-43.1179-66165.9000111.1A156 L157 H158 L163 K164 G189 Y193 W222A156-I160 WeakPolarHBondContact O-CG1 3.43Å; A156-I160 PolarHBondContact O-N 2.85Å; A156-I160 VanDerWaalsContact O-N 3.12Å; L157-I160 PolarHBondContact O-N 3.24Å; L157-I160 VanDerWaalsContact O-N 3.12Å; H158-I160 VanDerWaalsContact C-N 3.34Å; H158-I160 PolarHBondContact O-N 3.02Å; I160-L163 PolarHBondContact O-N 3.04Å; I160-K164 HydrophobicContact CG2-CD 4.09Å; I160-K164 HydrophobicContact CG2-CG 4.49Å; I160-K164 WeakPolarHBondContact O-CB 3.23Å; I160-K164 VanDerWaalsContact O-CG 3.32Å; I160-K164 WeakPolarHBondContact O-CG 3.47Å; I160-K164 PolarHBondContact O-N 2.9Å; I160-G189 VanDerWaalsContact CG1-O 3.26Å; I160-G189 WeakPolarHBondContact CG1-O 3.45Å; I160-Y193 HydrophobicContact CG2-CD2 3.84Å; I160-Y193 HydrophobicContact CG2-CE2 4.39Å; I160-Y193 HydrophobicContact CG2-CG 3.95Å; I160-W222 HydrophobicContact CD1-CE3 4.05Å; I160-W222 HydrophobicContact CD1-CH2 3.26Å; I160-W222 HydrophobicContact CD1-CZ2 3.78Å; I160-W222 HydrophobicContact CD1-CZ3 3.41Å; I160-W222 VanDerWaalsContact CD1-CZ3 3.41Å
161E98.6Very high97.7Very high104 Ų10451 Ų5149%0.48629%0.288SS..Hα-helixtrans-63-47.1-179.7-73.8175.6-174.900111.9L157 H158 L163 K164 K165L157-E161 WeakPolarHBondContact O-CG 3.32Å; L157-E161 PolarHBondContact O-N 3.23Å; H158-E161 PolarHBondContact O-N 3.38Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.96Å; E161-K164 WeakPolarHBondContact O-CB 3.38Å; E161-K164 PolarHBondContact O-N 2.71Å; E161-K165 WeakPolarHBondContact O-CG 3.46Å; E161-K165 PolarHBondContact O-N 3.49Å; E161-K165 VanDerWaalsContact O-N 3.09Å
162E98.4Very high97.9Very high36 Ų3652.4 Ų52.417%0.16828%0.283CS..Hα-helixtrans-64.3-40.3177.6-64.8-50.3116.600111.8L137 H158 K164 K165 V166L137-E162 HydrophobicContact CD1-CB 4.32Å; L137-E162 HydrophobicContact CD2-CB 3.97Å; H158-E162 WeakPolarHBondContact O-CG 3.3Å; H158-E162 PolarHBondContact O-N 3.2Å; H158-E162 VanDerWaalsContact O-N 3.13Å; E162-K164 PolarHBondContact O-N 2.74Å; E162-K165 PolarHBondContact O-N 3.5Å; E162-K165 IonicContact OE1-NZ 3.94Å; E162-K165 PolarHBondContact OE1-NZ 3.46Å; E162-K165 IonicContact OE2-NZ 3.16Å; E162-V166 PolarHBondContact O-N 3.46Å
163L98.8Very high98.1Very high0 Ų050.6 Ų50.60%027%0.272CS..Hα-helixtrans-62.7-42.2175.5177.859.9000112.2V103 L137 G159 I160 E161 K165 V166 A167 V175 Q190 Y193 F201V103-L163 HydrophobicContact CG1-CD1 4.36Å; V103-L163 HydrophobicContact CG2-CD1 4.38Å; L137-L163 HydrophobicContact CD1-CB 4.02Å; L137-L163 HydrophobicContact CD1-CD1 4.27Å; G159-L163 WeakPolarHBondContact O-CB 3.26Å; G159-L163 PolarHBondContact O-N 3.35Å; G159-L163 VanDerWaalsContact O-N 3.11Å; I160-L163 PolarHBondContact O-N 3.04Å; E161-L163 VanDerWaalsContact C-N 3.34Å; E161-L163 PolarHBondContact O-N 2.96Å; L163-K165 VanDerWaalsContact C-N 3.31Å; L163-K165 PolarHBondContact O-N 2.91Å; L163-V166 HydrophobicContact CD1-CG2 4.34Å; L163-V166 WeakPolarHBondContact O-CG2 3.49Å; L163-V166 PolarHBondContact O-N 3.37Å; L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.25Å; L163-V175 HydrophobicContact CD1-CG1 4.16Å; L163-V175 HydrophobicContact CD1-CG2 3.69Å; L163-V175 HydrophobicContact CD2-CG1 4.3Å; L163-V175 HydrophobicContact CD2-CG2 4.21Å; L163-Q190 HydrophobicContact CB-CG 4.21Å; L163-Q190 HydrophobicContact CD2-CB 4.02Å; L163-Q190 HydrophobicContact CD2-CG 4.18Å; L163-Y193 HydrophobicContact CD2-CD1 3.92Å; L163-F201 HydrophobicContact CD1-CE1 4.33Å; L163-F201 HydrophobicContact CG-CE1 4.41Å
164K98.6Very high98.3Very high102 Ų10250.2 Ų50.244%0.44327%0.27SS..Hα-helixtrans-59.4-42.1175.4-78.7172.2178.41750111.8I160 E161 E162 A168 Y193I160-K164 HydrophobicContact CG2-CD 4.09Å; I160-K164 HydrophobicContact CG2-CG 4.49Å; I160-K164 WeakPolarHBondContact O-CB 3.23Å; I160-K164 VanDerWaalsContact O-CG 3.32Å; I160-K164 WeakPolarHBondContact O-CG 3.47Å; I160-K164 PolarHBondContact O-N 2.9Å; E161-K164 WeakPolarHBondContact O-CB 3.38Å; E161-K164 PolarHBondContact O-N 2.71Å; E162-K164 PolarHBondContact O-N 2.74Å; K164-A168 PolarHBondContact O-N 2.93Å; K164-A168 VanDerWaalsContact O-N 3.17Å; K164-Y193 HydrophobicContact CD-CE2 4.35Å; K164-Y193 HydrophobicContact CG-CE1 3.96Å; K164-Y193 HydrophobicContact CG-CE2 4.24Å; K164-Y193 WeakPolarHBondContact CG-OH 3.4Å
165K98.1Very high98.3Very high130 Ų13049 Ų4957%0.56526%0.263SS*.Hα-helixtrans-60.9-51.8179.5-70170.3-172.1170.40111.3E161 E162 L163 A167 A168E161-K165 WeakPolarHBondContact O-CG 3.46Å; E161-K165 PolarHBondContact O-N 3.49Å; E161-K165 VanDerWaalsContact O-N 3.09Å; E162-K165 PolarHBondContact O-N 3.5Å; E162-K165 IonicContact OE1-NZ 3.94Å; E162-K165 PolarHBondContact OE1-NZ 3.46Å; E162-K165 IonicContact OE2-NZ 3.16Å; L163-K165 VanDerWaalsContact C-N 3.31Å; L163-K165 PolarHBondContact O-N 2.91Å; K165-A167 PolarHBondContact O-N 3.03Å; K165-A168 WeakPolarHBondContact O-CB 3.42Å; K165-A168 PolarHBondContact O-N 3.14Å
166V97.8Very high98.4Very high40 Ų4047.2 Ų47.224%0.24225%0.251CS..Hα-helixtrans-74.1-27.1-176.3-58.90000113.5L101 V103 T135 L137 E162 L163L101-V166 VanDerWaalsContact CD2-O 3.32Å; L101-V166 WeakPolarHBondContact CD2-O 3.47Å; V103-V166 HydrophobicContact CG1-CG2 4.46Å; V103-V166 HydrophobicContact CG2-CG2 4.09Å; T135-V166 HydrophobicContact CG2-CB 4.37Å; T135-V166 HydrophobicContact CG2-CG2 4.45Å; L137-V166 HydrophobicContact CD1-CG2 3.97Å; L137-V166 HydrophobicContact CD2-CG1 3.74Å; L137-V166 HydrophobicContact CD2-CG2 4.15Å; L137-V166 HydrophobicContact CG-CG2 4.29Å; E162-V166 PolarHBondContact O-N 3.46Å; L163-V166 HydrophobicContact CD1-CG2 4.34Å; L163-V166 WeakPolarHBondContact O-CG2 3.49Å; L163-V166 PolarHBondContact O-N 3.37Å
167A98Very high98.4Very high8 Ų847.2 Ų47.27%0.06625%0.251CS..Hα-helixtrans-86.2-4.8178.700000113.9L163 K165 G169 K170 V173 F201L163-A167 WeakPolarHBondContact O-CB 3.39Å; L163-A167 PolarHBondContact O-N 3.25Å; K165-A167 PolarHBondContact O-N 3.03Å; A167-G169 PolarHBondContact O-N 3.44Å; A167-K170 VanDerWaalsContact O-CB 3.31Å; A167-K170 WeakPolarHBondContact O-CB 3.47Å; A167-K170 WeakPolarHBondContact O-CG 3.05Å; A167-K170 PolarHBondContact O-N 3.07Å; A167-V173 HydrophobicContact CB-CG2 4.12Å; A167-F201 HydrophobicContact CB-CE1 3.57Å; A167-F201 HydrophobicContact CB-CZ 3.7Å
168A97.9Very high98.4Very high71 Ų7143.7 Ų43.759%0.58723%0.233SC*.THydrogen-bonded Turntrans-56.6128.7-177.800000111.6K164 K165 K170K164-A168 PolarHBondContact O-N 2.93Å; K164-A168 VanDerWaalsContact O-N 3.17Å; K165-A168 WeakPolarHBondContact O-CB 3.42Å; K165-A168 PolarHBondContact O-N 3.14Å; A168-K170 PolarHBondContact O-N 3.02Å
169G96.9Very high98.4Very high82 Ų8241.9 Ų41.985%0.84523%0.225SC*.THydrogen-bonded Turntrans74.10.3-179.300000115.6A167A167-G169 PolarHBondContact O-N 3.44Å
170K98.1Very high98.4Very high63 Ų6342.1 Ų42.127%0.27423%0.227SC..  trans-81144.7175.9-57.8-61.8-176.3167.70111.1G99 L101 A167 A168 V173G99-K170 CarbonylContact O-C 3.54Å; G99-K170 WeakPolarHBondContact O-CA 3.31Å; G99-K170 WeakPolarHBondContact O-CB 3.42Å; L101-K170 HydrophobicContact CB-CD 4.17Å; L101-K170 HydrophobicContact CB-CG 4.15Å; L101-K170 HydrophobicContact CD2-CG 4.25Å; A167-K170 VanDerWaalsContact O-CB 3.31Å; A167-K170 WeakPolarHBondContact O-CB 3.47Å; A167-K170 WeakPolarHBondContact O-CG 3.05Å; A167-K170 PolarHBondContact O-N 3.07Å; A168-K170 PolarHBondContact O-N 3.02Å; K170-V173 HydrophobicContact CB-CG2 3.42Å; K170-V173 VanDerWaalsContact CB-CG2 3.42Å; K170-V173 HydrophobicContact CG-CG2 4.11Å
171K97.7Very high98.3Very high161 Ų16142.4 Ų42.470%0.723%0.231SC*.SBendtrans-93.6-33.1178.9-64.5-179.9-178.4172.50111.8G99G99-K171 PolarHBondContact O-N 3.39Å
172R97.9Very high98.3Very high63 Ų6337.4 Ų37.424%0.23821%0.208CC..EExtended strand (participates in β ladder)trans-141122.1-178.6-169.167.6166.8175-2109.7E92 V93 G99 G100 L101 V200E92-R172 IonicContact OE2-NH2 3.54Å; V93-R172 HydrophobicContact CG2-CG 3.79Å; G99-R172 PolarHBondContact O-N 2.71Å; G99-R172 VanDerWaalsContact O-N 3.14Å; G100-R172 CarbonylContact C-O 3.58Å; G100-R172 WeakPolarHBondContact CA-O 3.43Å; L101-R172 PolarHBondContact N-O 2.67Å; R172-V200 CarbonylContact C-O 3.32Å; R172-V200 WeakPolarHBondContact CA-O 3.21Å
173V98.8Very high98.2Very high0 Ų036.3 Ų36.30%020%0.204CC..EExtended strand (participates in β ladder)trans-132.3121.6-176.7-173.70000109.7L101 V103 A167 K170 V175 V200 F201 L202L101-V173 HydrophobicContact CB-CG1 4.35Å; L101-V173 HydrophobicContact CB-CG2 4.33Å; L101-V173 HydrophobicContact CD2-CG1 4.47Å; L101-V173 WeakPolarHBondContact O-CA 3.17Å; V103-V173 HydrophobicContact CG2-CG1 3.78Å; A167-V173 HydrophobicContact CB-CG2 4.12Å; K170-V173 HydrophobicContact CB-CG2 3.42Å; K170-V173 VanDerWaalsContact CB-CG2 3.42Å; K170-V173 HydrophobicContact CG-CG2 4.11Å; V173-V175 HydrophobicContact CG1-CG2 3.83Å; V173-V200 HydrophobicContact CG2-CG1 4.01Å; V173-V200 PolarHBondContact N-O 2.88Å; V173-F201 HydrophobicContact CB-CD1 3.75Å; V173-F201 HydrophobicContact CB-CE1 3.91Å; V173-F201 HydrophobicContact CG1-CD1 4.03Å; V173-F201 HydrophobicContact CG1-CE1 4.05Å; V173-F201 HydrophobicContact CG2-CD1 4.46Å; V173-F201 HydrophobicContact CG2-CE1 4.2Å; V173-F201 CarbonylContact O-C 3.53Å; V173-F201 VanDerWaalsContact O-CA 3.31Å; V173-F201 WeakPolarHBondContact O-CA 3.4Å; V173-L202 PolarHBondContact O-N 3.17Å
174I98.9Very high98.2Very high2 Ų236.4 Ų36.41%0.0121%0.206CC..EExtended strand (participates in β ladder)trans-92.5128.8167.4-65.5171.9000107.5K89 V90 V93 L101 V103 I176 L202 V204K89-I174 VanDerWaalsContact C-CD1 3.45Å; K89-I174 HydrophobicContact CB-CD1 4.18Å; K89-I174 WeakPolarHBondContact O-CD1 3.26Å; V90-I174 VanDerWaalsContact CA-CD1 3.45Å; V90-I174 HydrophobicContact CB-CD1 4.25Å; V90-I174 HydrophobicContact CG2-CD1 3.83Å; V93-I174 HydrophobicContact CB-CD1 4.28Å; V93-I174 HydrophobicContact CG2-CD1 3.58Å; V93-I174 HydrophobicContact CG2-CG1 3.81Å; L101-I174 PolarHBondContact O-N 2.87Å; V103-I174 PolarHBondContact N-O 3Å; I174-I176 HydrophobicContact CG2-CG1 3.98Å; I174-L202 WeakPolarHBondContact CA-O 3.22Å; I174-L202 HydrophobicContact CD1-CD2 4.48Å; I174-L202 HydrophobicContact CG1-CB 4.24Å; I174-L202 HydrophobicContact CG1-CD2 4.15Å; I174-V204 HydrophobicContact CG2-CG2 4.25Å
175V98.9Very high98.2Very high0 Ų031.6 Ų31.60%019%0.185CC..EExtended strand (participates in β ladder)trans-117.9108.4178.1-1710000108.6V103 L163 V173 M191 C194 F201 L202 V204V103-V175 HydrophobicContact CB-CG1 4.42Å; V103-V175 HydrophobicContact CB-CG2 4.4Å; V103-V175 HydrophobicContact CG1-CG1 4.48Å; V103-V175 CarbonylContact O-C 3.3Å; V103-V175 WeakPolarHBondContact O-CA 3.33Å; L163-V175 HydrophobicContact CD1-CG1 4.16Å; L163-V175 HydrophobicContact CD1-CG2 3.69Å; L163-V175 HydrophobicContact CD2-CG1 4.3Å; L163-V175 HydrophobicContact CD2-CG2 4.21Å; V173-V175 HydrophobicContact CG1-CG2 3.83Å; V175-M191 HydrophobicContact CB-CE 4.16Å; V175-M191 HydrophobicContact CG1-CE 3.63Å; V175-C194 VanDerWaalsContact CG2-SG 3.56Å; V175-F201 HydrophobicContact CG2-CD1 3.92Å; V175-L202 PolarHBondContact N-O 3.1Å; V175-V204 PolarHBondContact O-N 3.21Å
176I98.9Very high98.3Very high0 Ų025.4 Ų25.40%016%0.158CC..EExtended strand (participates in β ladder)trans-93.994.5176.4-52.5-178.3000108V102 V103 L104 S105 I174 I178 V204 V206 L270 L274V102-I176 HydrophobicContact CG1-CD1 4.31Å; V103-I176 PolarHBondContact O-N 3.49Å; L104-I176 CarbonylContact C-O 3.33Å; L104-I176 WeakPolarHBondContact CA-O 3.38Å; L104-I176 HydrophobicContact CD2-CB 4.49Å; L104-I176 HydrophobicContact CD2-CD1 4.34Å; L104-I176 HydrophobicContact CG-CB 4.31Å; L104-I176 HydrophobicContact CG-CD1 4.43Å; S105-I176 PolarHBondContact N-O 3.23Å; I174-I176 HydrophobicContact CG2-CG1 3.98Å; I176-I178 HydrophobicContact CG2-CG1 4.3Å; I176-V204 CarbonylContact C-O 3.52Å; I176-V204 VanDerWaalsContact CA-O 3.3Å; I176-V204 WeakPolarHBondContact CA-O 3.48Å; I176-V204 HydrophobicContact CG1-CB 4.24Å; I176-V206 HydrophobicContact CG2-CG2 3.84Å; I176-L270 HydrophobicContact CD1-CD2 4.41Å; I176-L270 HydrophobicContact CG2-CD1 4.48Å; I176-L270 HydrophobicContact CG2-CD2 3.84Å; I176-L274 HydrophobicContact CD1-CD2 4.48Å
177G98.9Very high98.3Very high0 Ų023.5 Ų23.50%015%0.146CC..EExtended strand (participates in β ladder)trans-84.2121175.800000111.4V204 L205 V206G177-V204 PolarHBondContact N-O 2.76Å; G177-L205 CarbonylContact O-C 3.56Å; G177-L205 WeakPolarHBondContact O-CA 3.42Å; G177-V206 PolarHBondContact O-N 2.83Å
178I98.9Very high98.4Very high1 Ų123.1 Ų23.11%0.00514%0.143CC..EExtended strand (participates in β ladder)trans-110.3114.7-173.3-52.2165000109.1S105 S110 A114 I176 V206 T266 L270S105-I178 WeakPolarHBondContact O-CB 3.17Å; S105-I178 PolarHBondContact O-N 3.36Å; S110-I178 WeakPolarHBondContact CB-O 3.2Å; A114-I178 HydrophobicContact CB-CD1 4.16Å; I176-I178 HydrophobicContact CG2-CG1 4.3Å; I178-V206 HydrophobicContact CG1-CB 4.39Å; I178-T266 HydrophobicContact CD1-CG2 4.06Å; I178-T266 HydrophobicContact CG1-CG2 4.49Å; I178-T266 HydrophobicContact CG2-CG2 3.66Å; I178-L270 HydrophobicContact CD1-CD1 3.65Å; I178-L270 HydrophobicContact CG1-CD1 4.24Å
179S98.8Very high98.4Very high8 Ų819.8 Ų19.86%0.05612%0.115CC..  trans-141.4100171.8-168.90000109.3G181 L182 S183 A184 V206 G207S179-G181 PolarHBondContact O-N 3.01Å; S179-G181 VanDerWaalsContact O-N 3.17Å; S179-L182 PolarHBondContact O-N 3.34Å; S179-S183 PolarHBondContact OG-N 3.03Å; S179-S183 VanDerWaalsContact OG-N 3.13Å; S179-A184 PolarHBondContact OG-N 2.88Å; S179-V206 CarbonylContact C-O 3.49Å; S179-V206 PolarHBondContact N-O 3.28Å; S179-G207 VanDerWaalsContact O-CA 3.26Å; S179-G207 WeakPolarHBondContact O-CA 3.39Å
180V98.2Very high98.5Very high5 Ų515.9 Ų15.93%0.038%0.075CC..THydrogen-bonded Turntrans-47.5-49.8-178.5165.40000111.4T31 F208T31-V180 HydrophobicContact CG2-CG1 3.82Å; V180-F208 HydrophobicContact CB-CD2 4.13Å; V180-F208 HydrophobicContact CG1-CD2 3.96Å; V180-F208 HydrophobicContact CG2-CD2 3.95Å; V180-F208 HydrophobicContact CG2-CE2 3.95Å; V180-F208 PolarHBondContact O-N 3.18Å
181G97.1Very high98.5Very high14 Ų1412.9 Ų12.914%0.1446%0.062CC..THydrogen-bonded Turntrans-84.3-2.4-178.500000115.8S179 N209S179-G181 PolarHBondContact O-N 3.01Å; S179-G181 VanDerWaalsContact O-N 3.17Å; G181-N209 PolarHBondContact O-ND2 2.99Å
182L98.4Very high98.6Very high0 Ų05.8 Ų5.80%03%0.032CC..SBendtrans51.355.9-168.1-56-175.7000111.7S179 L205 N209 A214 R215 F226S179-L182 PolarHBondContact O-N 3.34Å; L182-L205 HydrophobicContact CD2-CD1 3.9Å; L182-L205 HydrophobicContact CD2-CD2 3.96Å; L182-L205 HydrophobicContact CD2-CG 3.93Å; L182-N209 HydrophobicContact CD1-CB 4.13Å; L182-N209 VanDerWaalsContact CD1-O 3.25Å; L182-N209 WeakPolarHBondContact CD1-O 3.44Å; L182-N209 HydrophobicContact CG-CB 4.3Å; L182-A214 HydrophobicContact CB-CB 3.66Å; L182-A214 HydrophobicContact CD1-CB 4.13Å; L182-R215 PolarHBondContact O-N 3.4Å; L182-F226 VanDerWaalsContact C-CD1 3.44Å; L182-F226 VanDerWaalsContact CA-CE1 3.48Å; L182-F226 HydrophobicContact CB-CD1 3.9Å; L182-F226 HydrophobicContact CB-CE1 3.58Å; L182-F226 HydrophobicContact CB-CZ 4.25Å; L182-F226 HydrophobicContact CD2-CE1 3.94Å; L182-F226 HydrophobicContact CD2-CZ 4.31Å; L182-F226 HydrophobicContact CG-CE1 4.33Å; L182-F226 VanDerWaalsContact O-CD1 3.23Å; L182-F226 WeakPolarHBondContact O-CD1 3.41Å; L182-F226 VanDerWaalsContact O-CG 3.3Å; L182-F226 WeakPolarHBondContact O-CG 3.22Å
183S97.6Very high98.6Very high12 Ų125.7 Ų5.78%0.0843%0.032CC..  trans-137-29.4-166.6-177.40000114.6S179 P185 R215 F226S179-S183 PolarHBondContact OG-N 3.03Å; S179-S183 VanDerWaalsContact OG-N 3.13Å; S183-P185 WeakPolarHBondContact O-CD 3.23Å; S183-R215 PolarHBondContact O-NE 2.71Å; S183-R215 PolarHBondContact O-NH1 2.98Å; S183-R215 WeakPolarHBondContact OG-CD 3.3Å; S183-R215 PolarHBondContact OG-NH1 3.11Å; S183-R215 VanDerWaalsContact OG-NH1 3.08Å; S183-F226 VanDerWaalsContact C-CD2 3.41Å
184A98.2Very high98.6Very high3 Ų35.7 Ų5.73%0.0253%0.032CC..  trans-71.9116.3-169.900000112.9E153 S179 F186 V187 A188 F226E153-A184 HydrophobicContact CG-CB 4.35Å; S179-A184 PolarHBondContact OG-N 2.88Å; A184-F186 VanDerWaalsContact C-N 3.29Å; A184-F186 PolarHBondContact O-N 3.01Å; A184-V187 HydrophobicContact CB-CG2 4.35Å; A184-V187 PolarHBondContact O-N 3.28Å; A184-V187 VanDerWaalsContact O-N 3.13Å; A184-A188 PolarHBondContact O-N 3Å; A184-A188 VanDerWaalsContact O-N 3.16Å; A184-F226 WeakPolarHBondContact O-CD2 3.29Å; A184-F226 VanDerWaalsContact O-CE2 3.26Å; A184-F226 WeakPolarHBondContact O-CE2 3.47Å
185P98.8Very high98.6Very high1 Ų16 Ų61%0.0063%0.034CC..Hα-helixtrans-53.7-40.9176.8-33.941.3000115.2E153 D154 A156 S183 V187 A188 G189 I219E153-P185 VanDerWaalsContact O-CD 3.24Å; E153-P185 WeakPolarHBondContact O-CD 3.2Å; D154-P185 WeakPolarHBondContact O-CB 3.33Å; A156-P185 WeakPolarHBondContact CA-O 3.31Å; A156-P185 HydrophobicContact CB-CB 4.46Å; S183-P185 WeakPolarHBondContact O-CD 3.23Å; P185-V187 PolarHBondContact O-N 3.28Å; P185-A188 WeakPolarHBondContact O-CB 3.46Å; P185-A188 PolarHBondContact O-N 3.3Å; P185-G189 PolarHBondContact O-N 3.21Å; P185-I219 HydrophobicContact CB-CD1 4.07Å; P185-I219 HydrophobicContact CB-CG1 4.31Å; P185-I219 HydrophobicContact CB-CG2 3.67Å; P185-I219 HydrophobicContact CG-CD1 4.25Å; P185-I219 HydrophobicContact CG-CG1 4.11Å; P185-I219 HydrophobicContact CG-CG2 4.04Å
186F98.9Very high98.6Very high0 Ų010.9 Ų10.90%06%0.059CC..Hα-helixtrans-50.6-43176.6-175.8-98000112.7S105 A139 E153 S155 H158 G159 A184 Q190S105-F186 VanDerWaalsContact OG-CE1 3.25Å; S105-F186 WeakPolarHBondContact OG-CE1 3.23Å; A139-F186 HydrophobicContact CB-CB 4.42Å; A139-F186 HydrophobicContact CB-CD1 4.06Å; A139-F186 HydrophobicContact CB-CD2 3.98Å; A139-F186 HydrophobicContact CB-CE1 4.23Å; A139-F186 HydrophobicContact CB-CE2 4.19Å; A139-F186 HydrophobicContact CB-CG 3.92Å; A139-F186 HydrophobicContact CB-CZ 4.32Å; E153-F186 HydrophobicContact CB-CB 4.47Å; E153-F186 WeakPolarHBondContact O-CB 3.47Å; E153-F186 PolarHBondContact O-N 3.27Å; S155-F186 VanDerWaalsContact O-CA 3.3Å; S155-F186 WeakPolarHBondContact O-CA 3.11Å; H158-F186 HydrophobicContact CB-CD2 4.27Å; H158-F186 HydrophobicContact CB-CE2 4.41Å; H158-F186 AromaticContact CD2-CD2 3.51Å; H158-F186 AromaticContact CD2-CE2 3.28Å; H158-F186 WeakPolarHBondContact CD2-CE2 3.35Å; H158-F186 AromaticContact CG-CE2 3.81Å; H158-F186 AromaticContact NE2-CE2 3.59Å; G159-F186 VanDerWaalsContact N-CD2 3.29Å; A184-F186 VanDerWaalsContact C-N 3.29Å; A184-F186 PolarHBondContact O-N 3.01Å; F186-Q190 VanDerWaalsContact O-CG 3.3Å; F186-Q190 WeakPolarHBondContact O-CG 3.19Å; F186-Q190 PolarHBondContact O-N 3.37Å
187V98.9Very high98.5Very high0 Ų014 Ų140%08%0.076CC..Hα-helixtrans-76.9-40177.5176.20000111.3A184 P185 G189 Q190 M191 L205 F226A184-V187 HydrophobicContact CB-CG2 4.35Å; A184-V187 PolarHBondContact O-N 3.28Å; A184-V187 VanDerWaalsContact O-N 3.13Å; P185-V187 PolarHBondContact O-N 3.28Å; V187-G189 PolarHBondContact O-N 2.81Å; V187-Q190 PolarHBondContact O-N 3.34Å; V187-M191 HydrophobicContact CG1-CG 4.12Å; V187-M191 VanDerWaalsContact O-CG 3.32Å; V187-M191 WeakPolarHBondContact O-CG 3.31Å; V187-M191 PolarHBondContact O-N 2.92Å; V187-L205 HydrophobicContact CG1-CD1 4.23Å; V187-F226 HydrophobicContact CB-CE2 4.34Å; V187-F226 HydrophobicContact CG1-CZ 4.43Å
188A98.9Very high98.4Very high0 Ų015.9 Ų15.90%09%0.088CC..Hα-helixtrans-57.8-46.8178.300000111.9A184 P185 Q190 M191 D192 I219 F226 V229A184-A188 PolarHBondContact O-N 3Å; A184-A188 VanDerWaalsContact O-N 3.16Å; P185-A188 WeakPolarHBondContact O-CB 3.46Å; P185-A188 PolarHBondContact O-N 3.3Å; A188-Q190 PolarHBondContact O-N 3.11Å; A188-M191 PolarHBondContact O-N 3.24Å; A188-D192 WeakPolarHBondContact O-CB 3.21Å; A188-D192 PolarHBondContact O-N 2.96Å; A188-I219 HydrophobicContact CB-CD1 3.88Å; A188-F226 HydrophobicContact CB-CB 4.5Å; A188-F226 HydrophobicContact CB-CD2 3.69Å; A188-F226 HydrophobicContact CB-CE2 4.11Å; A188-F226 HydrophobicContact CB-CG 4.21Å; A188-V229 HydrophobicContact CB-CG2 4.48Å
189G98.9Very high98.3Very high0 Ų019.5 Ų19.50%012%0.118CC..Hα-helixtrans-58.9-4517700000112.7I160 P185 V187 D192 Y193I160-G189 VanDerWaalsContact CG1-O 3.26Å; I160-G189 WeakPolarHBondContact CG1-O 3.45Å; P185-G189 PolarHBondContact O-N 3.21Å; V187-G189 PolarHBondContact O-N 2.81Å; G189-D192 PolarHBondContact O-N 3.03Å; G189-Y193 VanDerWaalsContact O-CB 3.32Å; G189-Y193 WeakPolarHBondContact O-CB 3.26Å; G189-Y193 PolarHBondContact O-N 2.86Å
190Q98.9Very high98.3Very high0 Ų020.6 Ų20.60%012%0.124CC..Hα-helixtrans-61.4-46.8177.3-71.5169.3-10.900112.6S105 G159 L163 F186 V187 A188 D192 Y193 C194S105-Q190 VanDerWaalsContact CB-OE1 3.25Å; S105-Q190 PolarHBondContact OG-NE2 2.77Å; S105-Q190 PolarHBondContact OG-OE1 2.92Å; G159-Q190 VanDerWaalsContact C-CG 3.46Å; G159-Q190 WeakPolarHBondContact O-CG 3.09Å; G159-Q190 PolarHBondContact O-NE2 2.96Å; L163-Q190 HydrophobicContact CB-CG 4.21Å; L163-Q190 HydrophobicContact CD2-CB 4.02Å; L163-Q190 HydrophobicContact CD2-CG 4.18Å; F186-Q190 VanDerWaalsContact O-CG 3.3Å; F186-Q190 WeakPolarHBondContact O-CG 3.19Å; F186-Q190 PolarHBondContact O-N 3.37Å; V187-Q190 PolarHBondContact O-N 3.34Å; A188-Q190 PolarHBondContact O-N 3.11Å; Q190-D192 VanDerWaalsContact C-N 3.34Å; Q190-Y193 PolarHBondContact O-N 2.6Å; Q190-C194 PolarHBondContact O-N 3.09Å; Q190-C194 PolarHBondContact O-SG 3.32Å
191M98.9Very high98.3Very high1 Ų120.8 Ų20.81%0.00512%0.124CC..Hα-helixtrans-62.6-44.1179.5-66.5-56.394.300110.8V175 V187 A188 C194 M195 P203 L205 V229 M233V175-M191 HydrophobicContact CB-CE 4.16Å; V175-M191 HydrophobicContact CG1-CE 3.63Å; V187-M191 HydrophobicContact CG1-CG 4.12Å; V187-M191 VanDerWaalsContact O-CG 3.32Å; V187-M191 WeakPolarHBondContact O-CG 3.31Å; V187-M191 PolarHBondContact O-N 2.92Å; A188-M191 PolarHBondContact O-N 3.24Å; M191-C194 WeakPolarHBondContact O-CB 3.15Å; M191-C194 PolarHBondContact O-N 3.01Å; M191-M195 WeakPolarHBondContact O-CG 3.17Å; M191-M195 PolarHBondContact O-N 3.13Å; M191-M195 VanDerWaalsContact O-N 3.08Å; M191-P203 HydrophobicContact CE-CB 4.38Å; M191-P203 HydrophobicContact SD-CB 3.73Å; M191-L205 HydrophobicContact SD-CB 4.46Å; M191-V229 HydrophobicContact CB-CG1 3.87Å; M191-M233 HydrophobicContact CB-SD 3.71Å; M191-M233 HydrophobicContact CG-CE 4.45Å; M191-M233 HydrophobicContact CG-SD 3.77Å; M191-M233 HydrophobicContact SD-CE 3.88Å; M191-M233 HydrophobicContact SD-SD 3.99Å
192D98.8Very high98.4Very high12 Ų1220.3 Ų20.36%0.06412%0.119CC..Hα-helixtrans-65.8-41.6179.5-161.342.7000112.4A188 G189 Q190 C194 M195 N196 W222 V229 R232A188-D192 WeakPolarHBondContact O-CB 3.21Å; A188-D192 PolarHBondContact O-N 2.96Å; G189-D192 PolarHBondContact O-N 3.03Å; Q190-D192 VanDerWaalsContact C-N 3.34Å; D192-C194 PolarHBondContact O-N 3.36Å; D192-M195 HydrophobicContact CB-CE 4.42Å; D192-M195 PolarHBondContact O-N 3.33Å; D192-N196 PolarHBondContact O-N 2.94Å; D192-N196 PolarHBondContact O-ND2 3.28Å; D192-W222 HydrophobicContact CB-CZ2 4.36Å; D192-W222 WeakPolarHBondContact OD2-CZ2 3.22Å; D192-W222 PolarHBondContact OD2-NE1 2.72Å; D192-V229 HydrophobicContact CB-CG1 4.05Å; D192-V229 HydrophobicContact CB-CG2 3.99Å; D192-R232 IonicContact OD1-CZ 3.87Å; D192-R232 IonicContact OD1-NH1 3.99Å; D192-R232 PolarHBondContact OD1-NH1 3.41Å
193Y98.8Very high98.5Very high61 Ų6120.3 Ų20.324%0.23912%0.119CC..Hα-helixtrans-59.9-44.6172.7177.4-101.3000112.4I160 L163 K164 G189 Q190 M195 N196 F201I160-Y193 HydrophobicContact CG2-CD2 3.84Å; I160-Y193 HydrophobicContact CG2-CE2 4.39Å; I160-Y193 HydrophobicContact CG2-CG 3.95Å; L163-Y193 HydrophobicContact CD2-CD1 3.92Å; K164-Y193 HydrophobicContact CD-CE2 4.35Å; K164-Y193 HydrophobicContact CG-CE1 3.96Å; K164-Y193 HydrophobicContact CG-CE2 4.24Å; K164-Y193 WeakPolarHBondContact CG-OH 3.4Å; G189-Y193 VanDerWaalsContact O-CB 3.32Å; G189-Y193 WeakPolarHBondContact O-CB 3.26Å; G189-Y193 PolarHBondContact O-N 2.86Å; Q190-Y193 PolarHBondContact O-N 2.6Å; Y193-M195 VanDerWaalsContact C-N 3.31Å; Y193-M195 PolarHBondContact O-N 3.34Å; Y193-N196 WeakPolarHBondContact O-CB 3.41Å; Y193-N196 PolarHBondContact O-N 2.68Å; Y193-N196 VanDerWaalsContact O-N 3.16Å; Y193-F201 AromaticContact CE1-CE2 3.79Å; Y193-F201 HydrophobicContact CE1-CE2 3.79Å; Y193-F201 AromaticContact CE1-CZ 3.82Å; Y193-F201 HydrophobicContact CE1-CZ 3.82Å
194C98.8Very high98.5Very high0 Ų019.8 Ų19.80%012%0.115CC..Hα-helixtrans-58.5-43.4176.2-71.10000111.9V175 Q190 M191 D192 N196 N197 F201 P203V175-C194 VanDerWaalsContact CG2-SG 3.56Å; Q190-C194 PolarHBondContact O-N 3.09Å; Q190-C194 PolarHBondContact O-SG 3.32Å; M191-C194 WeakPolarHBondContact O-CB 3.15Å; M191-C194 PolarHBondContact O-N 3.01Å; D192-C194 PolarHBondContact O-N 3.36Å; C194-N196 PolarHBondContact O-N 2.91Å; C194-N197 CarbonylContact O-C 3.56Å; C194-N197 PolarHBondContact O-N 3.43Å; C194-F201 HydrophobicContact CB-CB 3.72Å; C194-F201 HydrophobicContact CB-CG 4.28Å; C194-P203 HydrophobicContact CB-CB 3.66Å; C194-P203 HydrophobicContact CB-CG 3.83Å
195M98.7Very high98.6Very high9 Ų919.7 Ų19.74%0.04411%0.114CC..Hα-helixtrans-65.5-20-179.5-71.3-171.3-71.600113.5M191 D192 Y193 N197 P203 V229 R232 M233 M236M191-M195 WeakPolarHBondContact O-CG 3.17Å; M191-M195 PolarHBondContact O-N 3.13Å; M191-M195 VanDerWaalsContact O-N 3.08Å; D192-M195 HydrophobicContact CB-CE 4.42Å; D192-M195 PolarHBondContact O-N 3.33Å; Y193-M195 VanDerWaalsContact C-N 3.31Å; Y193-M195 PolarHBondContact O-N 3.34Å; M195-N197 VanDerWaalsContact C-N 3.32Å; M195-P203 HydrophobicContact CG-CG 3.88Å; M195-V229 HydrophobicContact CE-CG1 3.72Å; M195-R232 HydrophobicContact CE-CB 3.98Å; M195-R232 HydrophobicContact CE-CG 3.85Å; M195-R232 PolarHBondContact O-NH2 3.46Å; M195-R232 HydrophobicContact SD-CB 4.08Å; M195-R232 HydrophobicContact SD-CG 3.62Å; M195-M233 HydrophobicContact CE-CG 3.72Å; M195-M233 HydrophobicContact CG-CG 4.43Å; M195-M233 HydrophobicContact SD-CB 4.21Å; M195-M233 HydrophobicContact SD-CG 3.4Å; M195-M233 WeakPolarHBondContact SD-CG 3.37Å; M195-M236 HydrophobicContact CB-CE 4.03Å; M195-M236 HydrophobicContact CB-SD 3.66Å; M195-M236 HydrophobicContact CG-CE 3.92Å; M195-M236 HydrophobicContact CG-SD 3.48Å; M195-M236 WeakPolarHBondContact CG-SD 3.47Å; M195-M236 HydrophobicContact SD-SD 3.46Å
196N98.1Very high98.6Very high102 Ų10219.7 Ų19.755%0.54511%0.114SC..THydrogen-bonded Turntrans-78.5-14.7174.4-65-24000113.1D192 Y193 C194 R232D192-N196 PolarHBondContact O-N 2.94Å; D192-N196 PolarHBondContact O-ND2 3.28Å; Y193-N196 WeakPolarHBondContact O-CB 3.41Å; Y193-N196 PolarHBondContact O-N 2.68Å; Y193-N196 VanDerWaalsContact O-N 3.16Å; C194-N196 PolarHBondContact O-N 2.91Å; N196-R232 PolarHBondContact OD1-NH1 3.41Å; N196-R232 PolarHBondContact OD1-NH2 3.41Å
197N96.8Very high98.6Very high66 Ų6619.7 Ų19.735%0.35311%0.114SC..  trans-142.770.2177.7-175.53.2000112.1C194 M195 A199 V200 F201C194-N197 CarbonylContact O-C 3.56Å; C194-N197 PolarHBondContact O-N 3.43Å; M195-N197 VanDerWaalsContact C-N 3.32Å; N197-A199 PolarHBondContact O-N 3.17Å; N197-A199 VanDerWaalsContact O-N 3.14Å; N197-V200 PolarHBondContact O-N 3.08Å; N197-F201 HydrophobicContact CB-CD2 4.09Å; N197-F201 WeakPolarHBondContact O-CD2 3.49Å; N197-F201 PolarHBondContact O-N 3.2Å
198T97.8Very high98.5Very high39 Ų3919.7 Ų19.724%0.23911%0.114CC..THydrogen-bonded Turntrans-70-6179.563.50000114.7V200 F201 M236 K241T198-V200 VanDerWaalsContact C-N 3.35Å; T198-F201 WeakPolarHBondContact CA-O 3.44Å; T198-M236 HydrophobicContact CG2-CE 3.27Å; T198-K241 HydrophobicContact CG2-CB 4.39Å; T198-K241 HydrophobicContact CG2-CD 4.37Å
199A97.2Very high98.4Very high77 Ų7719.7 Ų19.764%0.63611%0.114SC*.THydrogen-bonded Turntrans-68.2-41.4173.600000110N197N197-A199 PolarHBondContact O-N 3.17Å; N197-A199 VanDerWaalsContact O-N 3.14Å
200V98.2Very high98.3Very high30 Ų3021 Ų2118%0.18212%0.122CC..THydrogen-bonded Turntrans-94.2-47177.8178.80000111.3R172 V173 N197 T198R172-V200 CarbonylContact C-O 3.32Å; R172-V200 WeakPolarHBondContact CA-O 3.21Å; V173-V200 HydrophobicContact CG2-CG1 4.01Å; V173-V200 PolarHBondContact N-O 2.88Å; N197-V200 PolarHBondContact O-N 3.08Å; T198-V200 VanDerWaalsContact C-N 3.35Å
201F98.8Very high98.2Very high9 Ų921.2 Ų21.24%0.03912%0.124CC..EExtended strand (participates in β ladder)trans-98.5143.4-168.1-62-80.4000113.4L163 A167 V173 V175 Y193 C194 N197 T198L163-F201 HydrophobicContact CD1-CE1 4.33Å; L163-F201 HydrophobicContact CG-CE1 4.41Å; A167-F201 HydrophobicContact CB-CE1 3.57Å; A167-F201 HydrophobicContact CB-CZ 3.7Å; V173-F201 HydrophobicContact CB-CD1 3.75Å; V173-F201 HydrophobicContact CB-CE1 3.91Å; V173-F201 HydrophobicContact CG1-CD1 4.03Å; V173-F201 HydrophobicContact CG1-CE1 4.05Å; V173-F201 HydrophobicContact CG2-CD1 4.46Å; V173-F201 HydrophobicContact CG2-CE1 4.2Å; V173-F201 CarbonylContact O-C 3.53Å; V173-F201 VanDerWaalsContact O-CA 3.31Å; V173-F201 WeakPolarHBondContact O-CA 3.4Å; V175-F201 HydrophobicContact CG2-CD1 3.92Å; Y193-F201 AromaticContact CE1-CE2 3.79Å; Y193-F201 HydrophobicContact CE1-CE2 3.79Å; Y193-F201 AromaticContact CE1-CZ 3.82Å; Y193-F201 HydrophobicContact CE1-CZ 3.82Å; C194-F201 HydrophobicContact CB-CB 3.72Å; C194-F201 HydrophobicContact CB-CG 4.28Å; N197-F201 HydrophobicContact CB-CD2 4.09Å; N197-F201 WeakPolarHBondContact O-CD2 3.49Å; N197-F201 PolarHBondContact O-N 3.2Å; T198-F201 WeakPolarHBondContact CA-O 3.44Å
202L98.9Very high98Very high5 Ų525.1 Ų25.13%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-123.7105164.3-175.780.1000109.2K89 V173 I174 V175 F243K89-L202 HydrophobicContact CB-CD2 3.38Å; K89-L202 HydrophobicContact CD-CD2 4.06Å; K89-L202 HydrophobicContact CG-CD2 3.51Å; V173-L202 PolarHBondContact O-N 3.17Å; I174-L202 WeakPolarHBondContact CA-O 3.22Å; I174-L202 HydrophobicContact CD1-CD2 4.48Å; I174-L202 HydrophobicContact CG1-CB 4.24Å; I174-L202 HydrophobicContact CG1-CD2 4.15Å; V175-L202 PolarHBondContact N-O 3.1Å; L202-F243 HydrophobicContact CD1-CD2 4.44Å; L202-F243 HydrophobicContact CD1-CE2 4.06Å; L202-F243 HydrophobicContact CD2-CD2 4.32Å; L202-F243 HydrophobicContact CD2-CE2 4.02Å; L202-F243 HydrophobicContact CG-CD2 4.48Å; L202-F243 HydrophobicContact CG-CE2 4.38Å
203P98.9Very high97.9Very high0 Ų026.2 Ų26.20%016%0.156CC..EExtended strand (participates in β ladder)trans-81.1134.5178.429.8-30.3000112M191 C194 M195 M233 A242 F243M191-P203 HydrophobicContact CE-CB 4.38Å; M191-P203 HydrophobicContact SD-CB 3.73Å; C194-P203 HydrophobicContact CB-CB 3.66Å; C194-P203 HydrophobicContact CB-CG 3.83Å; M195-P203 HydrophobicContact CG-CG 3.88Å; P203-M233 HydrophobicContact CB-CE 3.85Å; P203-M233 HydrophobicContact CG-CE 4.28Å; P203-A242 HydrophobicContact CG-CB 3.85Å; P203-A242 CarbonylContact O-C 3.46Å; P203-A242 VanDerWaalsContact O-CA 3.31Å; P203-A242 WeakPolarHBondContact O-CA 3.42Å; P203-F243 PolarHBondContact O-N 2.79Å
204V98.9Very high97.8Very high1 Ų123.3 Ų23.31%0.00615%0.145CC..EExtended strand (participates in β ladder)trans-125.6118.9173.1-177.80000107.9V86 I174 V175 I176 G177 F243V86-V204 HydrophobicContact CG1-CG1 4.23Å; V86-V204 HydrophobicContact CG1-CG2 4.06Å; V86-V204 HydrophobicContact CG2-CG1 4.03Å; V86-V204 HydrophobicContact CG2-CG2 4.22Å; I174-V204 HydrophobicContact CG2-CG2 4.25Å; V175-V204 PolarHBondContact O-N 3.21Å; I176-V204 CarbonylContact C-O 3.52Å; I176-V204 VanDerWaalsContact CA-O 3.3Å; I176-V204 WeakPolarHBondContact CA-O 3.48Å; I176-V204 HydrophobicContact CG1-CB 4.24Å; G177-V204 PolarHBondContact N-O 2.76Å; V204-F243 CarbonylContact C-O 3.6Å; V204-F243 VanDerWaalsContact CA-O 3.3Å; V204-F243 WeakPolarHBondContact CA-O 3.47Å; V204-F243 HydrophobicContact CG1-CB 4.24Å; V204-F243 HydrophobicContact CG2-CB 4.28Å; V204-F243 HydrophobicContact CG2-CD2 4.25Å
205L98.9Very high97.7Very high1 Ų124.5 Ų24.51%0.00515%0.149CC..EExtended strand (participates in β ladder)trans-100.4123.7178.9173.162.2000109.8G177 L182 V187 M191 F226 A230 M233 F243 V244 L245G177-L205 CarbonylContact O-C 3.56Å; G177-L205 WeakPolarHBondContact O-CA 3.42Å; L182-L205 HydrophobicContact CD2-CD1 3.9Å; L182-L205 HydrophobicContact CD2-CD2 3.96Å; L182-L205 HydrophobicContact CD2-CG 3.93Å; V187-L205 HydrophobicContact CG1-CD1 4.23Å; M191-L205 HydrophobicContact SD-CB 4.46Å; L205-F226 HydrophobicContact CD1-CE1 4.14Å; L205-F226 HydrophobicContact CD1-CZ 3.83Å; L205-F226 HydrophobicContact CD2-CE1 4.07Å; L205-A230 HydrophobicContact CD2-CB 3.96Å; L205-M233 HydrophobicContact CB-CE 3.53Å; L205-M233 HydrophobicContact CB-SD 3.7Å; L205-M233 HydrophobicContact CD2-SD 4.01Å; L205-M233 HydrophobicContact CG-SD 4.47Å; L205-F243 PolarHBondContact N-O 2.66Å; L205-V244 HydrophobicContact CD2-CG1 4.28Å; L205-V244 HydrophobicContact CD2-CG2 4.44Å; L205-L245 PolarHBondContact O-N 3.02Å
206V98.9Very high97.6Very high0 Ų027.7 Ų27.70%017%0.166CC..EExtended strand (participates in β ladder)trans-110.4127.8175178.90000109.7I176 G177 I178 S179 F208 L245 L269 L270I176-V206 HydrophobicContact CG2-CG2 3.84Å; G177-V206 PolarHBondContact O-N 2.83Å; I178-V206 HydrophobicContact CG1-CB 4.39Å; S179-V206 CarbonylContact C-O 3.49Å; S179-V206 PolarHBondContact N-O 3.28Å; V206-F208 HydrophobicContact CG1-CZ 4.35Å; V206-L245 WeakPolarHBondContact CA-O 3.42Å; V206-L245 HydrophobicContact CG2-CB 4.46Å; V206-L269 HydrophobicContact CG1-CD2 3.86Å; V206-L270 HydrophobicContact CG2-CD2 4.05Å
207G98.7Very high97.2Very high0 Ų025.8 Ų25.80%016%0.156CC..  trans-164.1-174.8175.800000111.1S179 L245 N246S179-G207 VanDerWaalsContact O-CA 3.26Å; S179-G207 WeakPolarHBondContact O-CA 3.39Å; G207-L245 PolarHBondContact N-O 3.31Å; G207-N246 WeakPolarHBondContact O-CA 3.39Å
208F98.4Very high97.2Very high1 Ų128 Ų280%0.00417%0.174CC..SBendtrans-136.422.7-175.7-53-81.2000113.3T31 V180 V206 P247 I249 G262 A265 T266T31-F208 HydrophobicContact CG2-CB 4.4Å; V180-F208 HydrophobicContact CB-CD2 4.13Å; V180-F208 HydrophobicContact CG1-CD2 3.96Å; V180-F208 HydrophobicContact CG2-CD2 3.95Å; V180-F208 HydrophobicContact CG2-CE2 3.95Å; V180-F208 PolarHBondContact O-N 3.18Å; V206-F208 HydrophobicContact CG1-CZ 4.35Å; F208-P247 WeakPolarHBondContact CA-O 3.45Å; F208-P247 HydrophobicContact CD1-CG 4.02Å; F208-P247 VanDerWaalsContact CD1-O 3.23Å; F208-P247 WeakPolarHBondContact CD1-O 3.42Å; F208-P247 HydrophobicContact CE1-CG 3.97Å; F208-I249 HydrophobicContact CB-CD1 3.93Å; F208-I249 HydrophobicContact CB-CG1 3.89Å; F208-I249 HydrophobicContact CD1-CB 4.44Å; F208-I249 HydrophobicContact CD1-CD1 3.8Å; F208-I249 HydrophobicContact CD1-CG1 4.13Å; F208-I249 HydrophobicContact CD1-CG2 3.59Å; F208-I249 HydrophobicContact CD2-CD1 4.07Å; F208-I249 HydrophobicContact CE1-CD1 4.38Å; F208-I249 HydrophobicContact CE1-CG2 4.1Å; F208-I249 HydrophobicContact CG-CD1 3.63Å; F208-I249 HydrophobicContact CG-CG1 4.05Å; F208-I249 HydrophobicContact CG-CG2 4.38Å; F208-G262 VanDerWaalsContact CE2-O 3.26Å; F208-G262 WeakPolarHBondContact CE2-O 3.5Å; F208-A265 HydrophobicContact CD1-CB 4.19Å; F208-A265 HydrophobicContact CE1-CB 3.45Å; F208-A265 VanDerWaalsContact CE1-CB 3.45Å; F208-A265 HydrophobicContact CE2-CB 4.37Å; F208-A265 HydrophobicContact CZ-CB 3.57Å; F208-T266 WeakPolarHBondContact CE2-OG1 3.31Å
209N97Very high97.2Very high0 Ų026.4 Ų26.40%016%0.164CC..SBendtrans-112.2149.6167-79.7-38.4000110I30 T31 G181 L182 M213 N246I30-N209 WeakPolarHBondContact CB-OD1 3.35Å; I30-N209 PolarHBondContact N-OD1 3.46Å; T31-N209 PolarHBondContact N-OD1 2.95Å; T31-N209 VanDerWaalsContact N-OD1 3.16Å; T31-N209 PolarHBondContact OG1-ND2 3.15Å; G181-N209 PolarHBondContact O-ND2 2.99Å; L182-N209 HydrophobicContact CD1-CB 4.13Å; L182-N209 VanDerWaalsContact CD1-O 3.25Å; L182-N209 WeakPolarHBondContact CD1-O 3.44Å; L182-N209 HydrophobicContact CG-CB 4.3Å; N209-M213 HydrophobicContact CB-CB 4.22Å; N209-N246 PolarHBondContact O-ND2 2.95Å
210P95.9Very high97.2Very high27 Ų2727.8 Ų27.818%0.17516%0.157CC..  trans-54.3147.4158.7-21.231.3000110.7I30 Y71 S212 M213 A214I30-P210 HydrophobicContact CD1-CG 4.19Å; Y71-P210 HydrophobicContact CD1-CG 3.77Å; Y71-P210 HydrophobicContact CE1-CG 3.66Å; P210-S212 PolarHBondContact O-N 3.46Å; P210-M213 HydrophobicContact CB-CG 4.45Å; P210-M213 HydrophobicContact CG-CG 4.4Å; P210-M213 HydrophobicContact CG-SD 4.03Å; P210-M213 WeakPolarHBondContact O-CA 3.36Å; P210-M213 WeakPolarHBondContact O-CB 3.46Å; P210-M213 PolarHBondContact O-N 3Å; P210-A214 PolarHBondContact O-N 2.94Å
211V97.1Very high97.2Very high5 Ų528.5 Ų28.53%0.0316%0.16CC..G310 helixtrans-59.2-35.1179.6172.40000112M213 A214 A230 E231 Q234 V244V211-M213 PolarHBondContact O-N 2.84Å; V211-M213 VanDerWaalsContact O-N 3.13Å; V211-A214 WeakPolarHBondContact O-CB 3.28Å; V211-A214 PolarHBondContact O-N 3.44Å; V211-A230 HydrophobicContact CG1-CB 3.7Å; V211-A230 HydrophobicContact CG2-CB 4.33Å; V211-E231 HydrophobicContact CG1-CG 3.85Å; V211-Q234 HydrophobicContact CB-CG 4.49Å; V211-Q234 HydrophobicContact CG1-CG 4.47Å; V211-Q234 VanDerWaalsContact CG1-OE1 3.27Å; V211-Q234 HydrophobicContact CG2-CG 3.93Å; V211-V244 HydrophobicContact CG2-CG1 3.95Å
212S95.3Very high97.1Very high83 Ų8331 Ų3158%0.5817%0.169SC*.G310 helixtrans-61.6-19.6174.856.40000114P210 R227P210-S212 PolarHBondContact O-N 3.46Å; S212-R227 PolarHBondContact O-NE 2.9Å; S212-R227 PolarHBondContact O-NH1 3.49Å; S212-R227 PolarHBondContact O-NH2 3.01Å; S212-R227 VanDerWaalsContact O-NH2 3.08Å
213M95.1Very high97.1Very high35 Ų3536 Ų3617%0.17221%0.205CC..G310 helixtrans-98.2-2.1176.1-65.8-175.8175.100113.2P29 I30 Y71 N209 P210 V211P29-M213 HydrophobicContact CB-CB 4.16Å; I30-M213 HydrophobicContact CG1-SD 3.96Å; Y71-M213 HydrophobicContact CE1-CE 4.29Å; Y71-M213 WeakPolarHBondContact OH-CE 3.5Å; N209-M213 HydrophobicContact CB-CB 4.22Å; P210-M213 HydrophobicContact CB-CG 4.45Å; P210-M213 HydrophobicContact CG-CG 4.4Å; P210-M213 HydrophobicContact CG-SD 4.03Å; P210-M213 WeakPolarHBondContact O-CA 3.36Å; P210-M213 WeakPolarHBondContact O-CB 3.46Å; P210-M213 PolarHBondContact O-N 3Å; V211-M213 PolarHBondContact O-N 2.84Å; V211-M213 VanDerWaalsContact O-N 3.13Å
214A97.3Very high97Very high0 Ų037.5 Ų37.50%022%0.215CC..SBendtrans-59.6153.7173.400000111L182 P210 V211 N216 F226 R227L182-A214 HydrophobicContact CB-CB 3.66Å; L182-A214 HydrophobicContact CD1-CB 4.13Å; P210-A214 PolarHBondContact O-N 2.94Å; V211-A214 WeakPolarHBondContact O-CB 3.28Å; V211-A214 PolarHBondContact O-N 3.44Å; A214-N216 PolarHBondContact O-N 3.22Å; A214-F226 HydrophobicContact CB-CD1 4.12Å; A214-R227 HydrophobicContact CB-CB 4.04Å; A214-R227 HydrophobicContact CB-CG 4.41Å; A214-R227 PolarHBondContact O-NE 3.45Å; A214-R227 PolarHBondContact O-NH2 3.41Å
215R96.3Very high97Very high25 Ų2538 Ų389%0.09422%0.219CC..  trans-61.5128.5-175.9-165.2173.374.1-174.522.8110.8L182 S183 D217 F226 R227 S513L182-R215 PolarHBondContact O-N 3.4Å; S183-R215 PolarHBondContact O-NE 2.71Å; S183-R215 PolarHBondContact O-NH1 2.98Å; S183-R215 WeakPolarHBondContact OG-CD 3.3Å; S183-R215 PolarHBondContact OG-NH1 3.11Å; S183-R215 VanDerWaalsContact OG-NH1 3.08Å; R215-D217 HydrophobicContact CG-CB 4.22Å; R215-D217 VanDerWaalsContact CG-OD2 3.29Å; R215-D217 WeakPolarHBondContact CG-OD2 3.36Å; R215-F226 HydrophobicContact CB-CB 4.34Å; R215-F226 PolarHBondContact O-N 3.24Å; R215-R227 PolarHBondContact O-N 2.95Å; R215-S513 PolarHBondContact NH1-OG 3.47Å; R215-S513 PolarHBondContact NH2-OG 3.48Å
216N96.3Very high97Very high76 Ų7638 Ų3841%0.40622%0.219SC..  trans-115.58.5179.7-161.345.5000113.3A214 T225 R227A214-N216 PolarHBondContact O-N 3.22Å; N216-T225 WeakPolarHBondContact O-CG2 3.31Å; N216-T225 PolarHBondContact OD1-OG1 2.87Å; N216-R227 HydrophobicContact CB-CB 4.25Å
217D91.2Very high97Very high62 Ų6241.2 Ų41.233%0.33223%0.231SC..SBendtrans-71.5148.3167.6-49.8-72.4000109.6R215R215-D217 HydrophobicContact CG-CB 4.22Å; R215-D217 VanDerWaalsContact CG-OD2 3.29Å; R215-D217 WeakPolarHBondContact CG-OD2 3.36Å
218P95.9Very high97Very high111 Ų11145.5 Ų45.572%0.72125%0.251SS*.PPolyproline II helixtrans-55.6146.5176.4-24.634.5000112.5
219I97.8Very high97Very high6 Ų645.6 Ų45.63%0.03125%0.251CS..BIsolated β-bridgetrans-95128.2167.8-63.9178.8000106.8A156 P185 A188 D221 W222 S224A156-I219 HydrophobicContact CB-CG2 4.17Å; P185-I219 HydrophobicContact CB-CD1 4.07Å; P185-I219 HydrophobicContact CB-CG1 4.31Å; P185-I219 HydrophobicContact CB-CG2 3.67Å; P185-I219 HydrophobicContact CG-CD1 4.25Å; P185-I219 HydrophobicContact CG-CG1 4.11Å; P185-I219 HydrophobicContact CG-CG2 4.04Å; A188-I219 HydrophobicContact CB-CD1 3.88Å; I219-D221 VanDerWaalsContact C-N 3.31Å; I219-D221 WeakPolarHBondContact CG2-OD1 3.28Å; I219-D221 PolarHBondContact O-N 2.98Å; I219-W222 HydrophobicContact CB-CB 3.9Å; I219-W222 HydrophobicContact CG2-CB 3.58Å; I219-W222 PolarHBondContact O-N 3.43Å; I219-S224 WeakPolarHBondContact CD1-O 3.37Å
220E96.7Very high97.1Very high106 Ų10645.6 Ų45.650%0.49525%0.251SS..THydrogen-bonded Turntrans-60.8-37.8-169-64.8-175.8-172.800113.4P556 I557 S558E220-P556 WeakPolarHBondContact OE1-CB 3.4Å; E220-I557 PolarHBondContact OE1-N 3.32Å; E220-S558 PolarHBondContact OE1-N 3.02Å; E220-S558 PolarHBondContact OE1-OG 3.47Å; E220-S558 WeakPolarHBondContact OE2-CB 3.14Å; E220-S558 PolarHBondContact OE2-OG 3.44Å
221D98.1Very high97.3Very high45 Ų4548 Ų4824%0.24126%0.26CS..THydrogen-bonded Turntrans-104.213.5-178.272.6-20000113.9S155 A156 L157 I219S155-D221 VanDerWaalsContact CA-OD2 3.28Å; S155-D221 WeakPolarHBondContact CA-OD2 3.42Å; S155-D221 WeakPolarHBondContact CB-OD2 3.21Å; S155-D221 PolarHBondContact OG-OD2 3.38Å; A156-D221 WeakPolarHBondContact CB-OD1 3.24Å; A156-D221 PolarHBondContact N-OD1 2.88Å; A156-D221 PolarHBondContact N-OD2 2.72Å; A156-D221 VanDerWaalsContact N-OD2 3.09Å; L157-D221 WeakPolarHBondContact CB-OD2 3.25Å; L157-D221 HydrophobicContact CD1-CB 4.07Å; L157-D221 HydrophobicContact CG-CB 4.28Å; L157-D221 PolarHBondContact N-OD2 3.17Å; I219-D221 VanDerWaalsContact C-N 3.31Å; I219-D221 WeakPolarHBondContact CG2-OD1 3.28Å; I219-D221 PolarHBondContact O-N 2.98Å
222W98.2Very high97.3Very high61 Ų6151.6 Ų51.623%0.23127%0.273CS..BIsolated β-bridgetrans-141.4147.3-175.5-154-117.8000113.4A156 L157 I160 D192 I219A156-W222 HydrophobicContact CB-CB 3.7Å; A156-W222 HydrophobicContact CB-CD2 4.04Å; A156-W222 HydrophobicContact CB-CE3 4.28Å; A156-W222 HydrophobicContact CB-CG 3.8Å; L157-W222 HydrophobicContact CD2-CE3 3.87Å; L157-W222 HydrophobicContact CD2-CZ3 3.58Å; L157-W222 HydrophobicContact CG-CE3 4.45Å; I160-W222 HydrophobicContact CD1-CE3 4.05Å; I160-W222 HydrophobicContact CD1-CH2 3.26Å; I160-W222 HydrophobicContact CD1-CZ2 3.78Å; I160-W222 HydrophobicContact CD1-CZ3 3.41Å; I160-W222 VanDerWaalsContact CD1-CZ3 3.41Å; D192-W222 HydrophobicContact CB-CZ2 4.36Å; D192-W222 WeakPolarHBondContact OD2-CZ2 3.22Å; D192-W222 PolarHBondContact OD2-NE1 2.72Å; I219-W222 HydrophobicContact CB-CB 3.9Å; I219-W222 HydrophobicContact CG2-CB 3.58Å; I219-W222 PolarHBondContact O-N 3.43Å
223S97.7Very high97.5Very high111 Ų11147.7 Ų47.778%0.77625%0.246SC*.SBendtrans-79.3-21.9-175.1590000114.4
224S98.3Very high97.6Very high31 Ų3150.1 Ų50.122%0.21726%0.257CS..SBendtrans-110.9144.6-178.6-61.10000111.4I219 Q228I219-S224 WeakPolarHBondContact CD1-O 3.37Å; S224-Q228 VanDerWaalsContact CA-OE1 3.32Å
225T98.6Very high97.7Very high13 Ų1357 Ų578%0.0829%0.286CS..  trans-75.3163.8170.474.10000110.6N216 R227 Q228 V229N216-T225 WeakPolarHBondContact O-CG2 3.31Å; N216-T225 PolarHBondContact OD1-OG1 2.87Å; T225-R227 VanDerWaalsContact C-N 3.25Å; T225-R227 PolarHBondContact O-N 3.34Å; T225-Q228 PolarHBondContact O-N 2.91Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.48Å; T225-Q228 PolarHBondContact OG1-N 3.49Å; T225-V229 WeakPolarHBondContact O-CG2 3.2Å; T225-V229 PolarHBondContact O-N 2.83Å; T225-V229 VanDerWaalsContact O-N 3.15Å
226F98.7Very high97.8Very high1 Ų157.2 Ų57.20%0.00429%0.289CS..Hα-helixtrans-57.7-42.8175.6-160.9-66.4000110.9L182 S183 A184 V187 A188 L205 A214 R215 Q228 V229 A230L182-F226 VanDerWaalsContact C-CD1 3.44Å; L182-F226 VanDerWaalsContact CA-CE1 3.48Å; L182-F226 HydrophobicContact CB-CD1 3.9Å; L182-F226 HydrophobicContact CB-CE1 3.58Å; L182-F226 HydrophobicContact CB-CZ 4.25Å; L182-F226 HydrophobicContact CD2-CE1 3.94Å; L182-F226 HydrophobicContact CD2-CZ 4.31Å; L182-F226 HydrophobicContact CG-CE1 4.33Å; L182-F226 VanDerWaalsContact O-CD1 3.23Å; L182-F226 WeakPolarHBondContact O-CD1 3.41Å; L182-F226 VanDerWaalsContact O-CG 3.3Å; L182-F226 WeakPolarHBondContact O-CG 3.22Å; S183-F226 VanDerWaalsContact C-CD2 3.41Å; A184-F226 WeakPolarHBondContact O-CD2 3.29Å; A184-F226 VanDerWaalsContact O-CE2 3.26Å; A184-F226 WeakPolarHBondContact O-CE2 3.47Å; V187-F226 HydrophobicContact CB-CE2 4.34Å; V187-F226 HydrophobicContact CG1-CZ 4.43Å; A188-F226 HydrophobicContact CB-CB 4.5Å; A188-F226 HydrophobicContact CB-CD2 3.69Å; A188-F226 HydrophobicContact CB-CE2 4.11Å; A188-F226 HydrophobicContact CB-CG 4.21Å; L205-F226 HydrophobicContact CD1-CE1 4.14Å; L205-F226 HydrophobicContact CD1-CZ 3.83Å; L205-F226 HydrophobicContact CD2-CE1 4.07Å; A214-F226 HydrophobicContact CB-CD1 4.12Å; R215-F226 HydrophobicContact CB-CB 4.34Å; R215-F226 PolarHBondContact O-N 3.24Å; F226-Q228 PolarHBondContact O-N 2.97Å; F226-V229 PolarHBondContact O-N 2.83Å; F226-A230 HydrophobicContact CD1-CB 4.4Å; F226-A230 HydrophobicContact CE1-CB 4.47Å; F226-A230 WeakPolarHBondContact O-CB 3.15Å; F226-A230 PolarHBondContact O-N 3.24Å
227R98.8Very high97.9Very high67 Ų6755.5 Ų55.525%0.25328%0.278SS..Hα-helixtrans-57.9-47.3177.6-174.2179.9-60.11792.3112.3S212 A214 R215 N216 T225 V229 A230 E231S212-R227 PolarHBondContact O-NE 2.9Å; S212-R227 PolarHBondContact O-NH1 3.49Å; S212-R227 PolarHBondContact O-NH2 3.01Å; S212-R227 VanDerWaalsContact O-NH2 3.08Å; A214-R227 HydrophobicContact CB-CB 4.04Å; A214-R227 HydrophobicContact CB-CG 4.41Å; A214-R227 PolarHBondContact O-NE 3.45Å; A214-R227 PolarHBondContact O-NH2 3.41Å; R215-R227 PolarHBondContact O-N 2.95Å; N216-R227 HydrophobicContact CB-CB 4.25Å; T225-R227 VanDerWaalsContact C-N 3.25Å; T225-R227 PolarHBondContact O-N 3.34Å; R227-V229 VanDerWaalsContact C-N 3.31Å; R227-V229 PolarHBondContact O-N 2.68Å; R227-A230 PolarHBondContact O-N 3.07Å; R227-E231 HydrophobicContact CG-CG 4.31Å; R227-E231 WeakPolarHBondContact CG-OE1 3.5Å; R227-E231 WeakPolarHBondContact O-CB 3.37Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 3.25Å
228Q98.8Very high98.1Very high90 Ų9060.2 Ų60.242%0.42130%0.299SS..Hα-helixtrans-61.3-40.4179.3-71.2170.2-30.500111.9S224 T225 F226 R232S224-Q228 VanDerWaalsContact CA-OE1 3.32Å; T225-Q228 PolarHBondContact O-N 2.91Å; T225-Q228 WeakPolarHBondContact OG1-CG 3.48Å; T225-Q228 PolarHBondContact OG1-N 3.49Å; F226-Q228 PolarHBondContact O-N 2.97Å; Q228-R232 WeakPolarHBondContact O-CB 3.33Å; Q228-R232 PolarHBondContact O-N 3.33Å
229V98.9Very high98.2Very high2 Ų262.4 Ų62.41%0.01230%0.297CS..Hα-helixtrans-64.5-45.5174.8176.30000110.9A188 M191 D192 M195 T225 F226 R227 R232 M233A188-V229 HydrophobicContact CB-CG2 4.48Å; M191-V229 HydrophobicContact CB-CG1 3.87Å; D192-V229 HydrophobicContact CB-CG1 4.05Å; D192-V229 HydrophobicContact CB-CG2 3.99Å; M195-V229 HydrophobicContact CE-CG1 3.72Å; T225-V229 WeakPolarHBondContact O-CG2 3.2Å; T225-V229 PolarHBondContact O-N 2.83Å; T225-V229 VanDerWaalsContact O-N 3.15Å; F226-V229 PolarHBondContact O-N 2.83Å; R227-V229 VanDerWaalsContact C-N 3.31Å; R227-V229 PolarHBondContact O-N 2.68Å; V229-R232 WeakPolarHBondContact O-CB 3.5Å; V229-R232 PolarHBondContact O-N 2.83Å; V229-M233 WeakPolarHBondContact O-CG 3.25Å; V229-M233 PolarHBondContact O-N 3.39Å
230A98.8Very high98.2Very high0 Ų065.9 Ų65.90%031%0.313CS..Hα-helixtrans-65.1-39.8178.900000112.6L205 V211 F226 R227 R232 M233 Q234L205-A230 HydrophobicContact CD2-CB 3.96Å; V211-A230 HydrophobicContact CG1-CB 3.7Å; V211-A230 HydrophobicContact CG2-CB 4.33Å; F226-A230 HydrophobicContact CD1-CB 4.4Å; F226-A230 HydrophobicContact CE1-CB 4.47Å; F226-A230 WeakPolarHBondContact O-CB 3.15Å; F226-A230 PolarHBondContact O-N 3.24Å; R227-A230 PolarHBondContact O-N 3.07Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 3.43Å; A230-M233 WeakPolarHBondContact O-CB 3.3Å; A230-M233 PolarHBondContact O-N 2.96Å; A230-Q234 PolarHBondContact O-N 3.19Å
231E98.8Very high98.3Very high78 Ų7865.5 Ų65.536%0.36431%0.309SS..Hα-helixtrans-63.3-38.5173.2-73.3172.8179.600111.7V211 R227 M233 Q234 K235V211-E231 HydrophobicContact CG1-CG 3.85Å; R227-E231 HydrophobicContact CG-CG 4.31Å; R227-E231 WeakPolarHBondContact CG-OE1 3.5Å; R227-E231 WeakPolarHBondContact O-CB 3.37Å; R227-E231 WeakPolarHBondContact O-CG 3.35Å; R227-E231 PolarHBondContact O-N 3.25Å; E231-M233 VanDerWaalsContact C-N 3.33Å; E231-Q234 PolarHBondContact O-N 2.85Å; E231-K235 WeakPolarHBondContact O-CG 3.47Å; E231-K235 PolarHBondContact O-N 3.1Å; E231-K235 VanDerWaalsContact O-N 3.15Å
232R98.8Very high98.3Very high81 Ų8163.3 Ų63.331%0.30630%0.298SS..Hα-helixtrans-62-41.4172.4-175.7-176.2168.3-1754.1111.1D192 M195 N196 Q228 V229 A230 K235 M236D192-R232 IonicContact OD1-CZ 3.87Å; D192-R232 IonicContact OD1-NH1 3.99Å; D192-R232 PolarHBondContact OD1-NH1 3.41Å; M195-R232 HydrophobicContact CE-CB 3.98Å; M195-R232 HydrophobicContact CE-CG 3.85Å; M195-R232 PolarHBondContact O-NH2 3.46Å; M195-R232 HydrophobicContact SD-CB 4.08Å; M195-R232 HydrophobicContact SD-CG 3.62Å; N196-R232 PolarHBondContact OD1-NH1 3.41Å; N196-R232 PolarHBondContact OD1-NH2 3.41Å; Q228-R232 WeakPolarHBondContact O-CB 3.33Å; Q228-R232 PolarHBondContact O-N 3.33Å; V229-R232 WeakPolarHBondContact O-CB 3.5Å; V229-R232 PolarHBondContact O-N 2.83Å; A230-R232 VanDerWaalsContact C-N 3.33Å; A230-R232 PolarHBondContact O-N 3.43Å; R232-K235 PolarHBondContact O-N 2.78Å; R232-M236 HydrophobicContact CG-SD 4.44Å; R232-M236 WeakPolarHBondContact O-CG 3.25Å; R232-M236 PolarHBondContact O-N 3.24Å; R232-M236 VanDerWaalsContact O-N 3.11Å
233M98.8Very high98.3Very high0 Ų060.4 Ų60.40%029%0.287CS..Hα-helixtrans-62.7-42.4174.7-69.5-17571.100112.3M191 M195 P203 L205 V229 A230 E231 K235 M236 Q237 A242 F243 V244M191-M233 HydrophobicContact CB-SD 3.71Å; M191-M233 HydrophobicContact CG-CE 4.45Å; M191-M233 HydrophobicContact CG-SD 3.77Å; M191-M233 HydrophobicContact SD-CE 3.88Å; M191-M233 HydrophobicContact SD-SD 3.99Å; M195-M233 HydrophobicContact CE-CG 3.72Å; M195-M233 HydrophobicContact CG-CG 4.43Å; M195-M233 HydrophobicContact SD-CB 4.21Å; M195-M233 HydrophobicContact SD-CG 3.4Å; M195-M233 WeakPolarHBondContact SD-CG 3.37Å; P203-M233 HydrophobicContact CB-CE 3.85Å; P203-M233 HydrophobicContact CG-CE 4.28Å; L205-M233 HydrophobicContact CB-CE 3.53Å; L205-M233 HydrophobicContact CB-SD 3.7Å; L205-M233 HydrophobicContact CD2-SD 4.01Å; L205-M233 HydrophobicContact CG-SD 4.47Å; V229-M233 WeakPolarHBondContact O-CG 3.25Å; V229-M233 PolarHBondContact O-N 3.39Å; A230-M233 WeakPolarHBondContact O-CB 3.3Å; A230-M233 PolarHBondContact O-N 2.96Å; E231-M233 VanDerWaalsContact C-N 3.33Å; M233-K235 VanDerWaalsContact C-N 3.33Å; M233-K235 PolarHBondContact O-N 2.98Å; M233-M236 CarbonylContact O-C 3.53Å; M233-M236 PolarHBondContact O-N 3.23Å; M233-Q237 PolarHBondContact O-N 3.08Å; M233-A242 HydrophobicContact CB-CB 4.25Å; M233-A242 HydrophobicContact CE-CB 4.19Å; M233-A242 HydrophobicContact CG-CB 4.42Å; M233-F243 WeakPolarHBondContact CE-O 3.23Å; M233-V244 HydrophobicContact CB-CG2 3.71Å
234Q98.2Very high98.4Very high87 Ų8755.4 Ų55.441%0.40725%0.251SS..Hα-helixtrans-57.5-45.2175.9-71.7-174.4-59.300111.8V211 A230 E231 M236 Q237 V244V211-Q234 HydrophobicContact CB-CG 4.49Å; V211-Q234 HydrophobicContact CG1-CG 4.47Å; V211-Q234 VanDerWaalsContact CG1-OE1 3.27Å; V211-Q234 HydrophobicContact CG2-CG 3.93Å; A230-Q234 PolarHBondContact O-N 3.19Å; E231-Q234 PolarHBondContact O-N 2.85Å; Q234-M236 VanDerWaalsContact C-N 3.26Å; Q234-M236 PolarHBondContact O-N 2.93Å; Q234-Q237 WeakPolarHBondContact O-CB 3.38Å; Q234-Q237 PolarHBondContact O-N 3.31Å; Q234-V244 HydrophobicContact CG-CG2 4.11Å
235K98.4Very high98.4Very high144 Ų14453.9 Ų53.963%0.62624%0.241SC*.Hα-helixtrans-61.5-34.6175.3-67.1173.7-175.2173.40112.5E231 R232 M233E231-K235 WeakPolarHBondContact O-CG 3.47Å; E231-K235 PolarHBondContact O-N 3.1Å; E231-K235 VanDerWaalsContact O-N 3.15Å; R232-K235 PolarHBondContact O-N 2.78Å; M233-K235 VanDerWaalsContact C-N 3.33Å; M233-K235 PolarHBondContact O-N 2.98Å
236M98.6Very high98.4Very high29 Ų2954.9 Ų54.914%0.14325%0.246CC..Hα-helixtrans-78.3-24.4178.3-71.8-176.261.200113.2M195 T198 R232 M233 Q234 E238 K239 Q240 K241 A242M195-M236 HydrophobicContact CB-CE 4.03Å; M195-M236 HydrophobicContact CB-SD 3.66Å; M195-M236 HydrophobicContact CG-CE 3.92Å; M195-M236 HydrophobicContact CG-SD 3.48Å; M195-M236 WeakPolarHBondContact CG-SD 3.47Å; M195-M236 HydrophobicContact SD-SD 3.46Å; T198-M236 HydrophobicContact CG2-CE 3.27Å; R232-M236 HydrophobicContact CG-SD 4.44Å; R232-M236 WeakPolarHBondContact O-CG 3.25Å; R232-M236 PolarHBondContact O-N 3.24Å; R232-M236 VanDerWaalsContact O-N 3.11Å; M233-M236 CarbonylContact O-C 3.53Å; M233-M236 PolarHBondContact O-N 3.23Å; Q234-M236 VanDerWaalsContact C-N 3.26Å; Q234-M236 PolarHBondContact O-N 2.93Å; M236-E238 VanDerWaalsContact C-N 3.33Å; M236-K239 CarbonylContact O-C 3.46Å; M236-K239 PolarHBondContact O-N 2.83Å; M236-K239 VanDerWaalsContact O-N 3.15Å; M236-Q240 PolarHBondContact O-N 3.17Å; M236-K241 HydrophobicContact CB-CB 4.28Å; M236-K241 HydrophobicContact CE-CB 3.87Å; M236-K241 PolarHBondContact O-N 3.28Å; M236-A242 HydrophobicContact CB-CB 3.73Å
237Q98.3Very high98.3Very high40 Ų4054.9 Ų54.919%0.18725%0.246CC..Hα-helixtrans-66.1-32.6175.4-176171.6-18.500112.8M233 Q234 K239 Q240 A242 F243M233-Q237 PolarHBondContact O-N 3.08Å; Q234-Q237 WeakPolarHBondContact O-CB 3.38Å; Q234-Q237 PolarHBondContact O-N 3.31Å; Q237-K239 PolarHBondContact O-N 2.98Å; Q237-K239 VanDerWaalsContact O-N 3.13Å; Q237-Q240 PolarHBondContact O-N 2.77Å; Q237-A242 WeakPolarHBondContact CA-O 3.47Å; Q237-A242 VanDerWaalsContact CB-O 3.24Å; Q237-A242 WeakPolarHBondContact CB-O 3.29Å; Q237-A242 WeakPolarHBondContact CG-O 3.49Å; Q237-F243 HydrophobicContact CG-CD1 4.23Å
238E96.1Very high98.2Very high162 Ų16251.9 Ų51.976%0.75724%0.235SC*.THydrogen-bonded Turntrans-55.4-31.3171.5-63.5177.1-177.900112.4M236M236-E238 VanDerWaalsContact C-N 3.33Å
239K97.2Very high98.1Very high157 Ų15747.8 Ų47.868%0.68322%0.216SC*.THydrogen-bonded Turntrans-99.911.1177.2-61.2-177.9-177.6176.60113.1M236 Q237 K241M236-K239 CarbonylContact O-C 3.46Å; M236-K239 PolarHBondContact O-N 2.83Å; M236-K239 VanDerWaalsContact O-N 3.15Å; Q237-K239 PolarHBondContact O-N 2.98Å; Q237-K239 VanDerWaalsContact O-N 3.13Å; K239-K241 HydrophobicContact CB-CG 4.24Å; K239-K241 PolarHBondContact O-N 2.63Å
240Q97.3Very high98Very high78 Ų7847.8 Ų47.836%0.36422%0.217SC..THydrogen-bonded Turntrans56.430.8-178.6-58.4-75.7-35.600112.9M236 Q237 F243M236-Q240 PolarHBondContact O-N 3.17Å; Q237-Q240 PolarHBondContact O-N 2.77Å; Q240-F243 HydrophobicContact CB-CZ 4.42Å
241K98.3Very high97.9Very high98 Ų9847.8 Ų47.843%0.42622%0.217SC..SBendtrans-102.1-8.3180-69.9-167.6175.3-1680114T198 M236 K239T198-K241 HydrophobicContact CG2-CB 4.39Å; T198-K241 HydrophobicContact CG2-CD 4.37Å; M236-K241 HydrophobicContact CB-CB 4.28Å; M236-K241 HydrophobicContact CE-CB 3.87Å; M236-K241 PolarHBondContact O-N 3.28Å; K239-K241 HydrophobicContact CB-CG 4.24Å; K239-K241 PolarHBondContact O-N 2.63Å
242A98.8Very high97.9Very high0 Ų044.3 Ų44.30%020%0.201CC..  trans-155.4162.5174.400000108.1P203 M233 M236 Q237P203-A242 HydrophobicContact CG-CB 3.85Å; P203-A242 CarbonylContact O-C 3.46Å; P203-A242 VanDerWaalsContact O-CA 3.31Å; P203-A242 WeakPolarHBondContact O-CA 3.42Å; M233-A242 HydrophobicContact CB-CB 4.25Å; M233-A242 HydrophobicContact CE-CB 4.19Å; M233-A242 HydrophobicContact CG-CB 4.42Å; M236-A242 HydrophobicContact CB-CB 3.73Å; Q237-A242 WeakPolarHBondContact CA-O 3.47Å; Q237-A242 VanDerWaalsContact CB-O 3.24Å; Q237-A242 WeakPolarHBondContact CB-O 3.29Å; Q237-A242 WeakPolarHBondContact CG-O 3.49Å
243F98.9Very high97.9Very high0 Ų040.4 Ų40.40%019%0.186CC..EExtended strand (participates in β ladder)trans-136.7134.5174.8-63.1-85.1000110.8T82 Q85 V86 K89 L202 P203 V204 L205 M233 Q237 Q240T82-F243 HydrophobicContact CG2-CB 4.4Å; T82-F243 HydrophobicContact CG2-CD1 4.24Å; Q85-F243 HydrophobicContact CB-CD1 4.32Å; Q85-F243 HydrophobicContact CB-CE1 3.58Å; Q85-F243 HydrophobicContact CB-CZ 4.07Å; Q85-F243 HydrophobicContact CG-CE1 4.4Å; V86-F243 HydrophobicContact CG2-CB 3.73Å; V86-F243 HydrophobicContact CG2-CD1 4.1Å; V86-F243 HydrophobicContact CG2-CD2 3.99Å; V86-F243 HydrophobicContact CG2-CG 3.66Å; K89-F243 HydrophobicContact CG-CE2 4.01Å; K89-F243 HydrophobicContact CG-CZ 4.36Å; L202-F243 HydrophobicContact CD1-CD2 4.44Å; L202-F243 HydrophobicContact CD1-CE2 4.06Å; L202-F243 HydrophobicContact CD2-CD2 4.32Å; L202-F243 HydrophobicContact CD2-CE2 4.02Å; L202-F243 HydrophobicContact CG-CD2 4.48Å; L202-F243 HydrophobicContact CG-CE2 4.38Å; P203-F243 PolarHBondContact O-N 2.79Å; V204-F243 CarbonylContact C-O 3.6Å; V204-F243 VanDerWaalsContact CA-O 3.3Å; V204-F243 WeakPolarHBondContact CA-O 3.47Å; V204-F243 HydrophobicContact CG1-CB 4.24Å; V204-F243 HydrophobicContact CG2-CB 4.28Å; V204-F243 HydrophobicContact CG2-CD2 4.25Å; L205-F243 PolarHBondContact N-O 2.66Å; M233-F243 WeakPolarHBondContact CE-O 3.23Å; Q237-F243 HydrophobicContact CG-CD1 4.23Å; Q240-F243 HydrophobicContact CB-CZ 4.42Å
244V98.8Very high97.9Very high5 Ų540.4 Ų40.43%0.0319%0.186CC..EExtended strand (participates in β ladder)trans-109.6114.3168.6-175.30000107.5L205 V211 M233 Q234 N246L205-V244 HydrophobicContact CD2-CG1 4.28Å; L205-V244 HydrophobicContact CD2-CG2 4.44Å; V211-V244 HydrophobicContact CG2-CG1 3.95Å; M233-V244 HydrophobicContact CB-CG2 3.71Å; Q234-V244 HydrophobicContact CG-CG2 4.11Å; V244-N246 HydrophobicContact CG1-CB 4.08Å
245L98.7Very high97.9Very high0 Ų036.4 Ų36.40%017%0.168CC..EExtended strand (participates in β ladder)trans-112.886.8-178.4-176.361.2000108.6I79 T82 M83 L205 V206 G207 L269 L273I79-L245 HydrophobicContact CG2-CD1 4Å; T82-L245 HydrophobicContact CG2-CB 4.3Å; T82-L245 HydrophobicContact CG2-CD1 3.89Å; M83-L245 HydrophobicContact CG-CD1 3.88Å; M83-L245 HydrophobicContact CG-CD2 4.11Å; L205-L245 PolarHBondContact O-N 3.02Å; V206-L245 WeakPolarHBondContact CA-O 3.42Å; V206-L245 HydrophobicContact CG2-CB 4.46Å; G207-L245 PolarHBondContact N-O 3.31Å; L245-L269 HydrophobicContact CD1-CD1 4.31Å; L245-L269 HydrophobicContact CD2-CD1 3.92Å; L245-L269 HydrophobicContact CD2-CD2 3.5Å; L245-L269 HydrophobicContact CD2-CG 3.67Å; L245-L269 HydrophobicContact CG-CD1 4.19Å; L245-L269 HydrophobicContact CG-CD2 3.6Å; L245-L269 HydrophobicContact CG-CG 4.19Å; L245-L273 HydrophobicContact CD2-CD2 3.8Å
246N98.3Very high97.7Very high33 Ų3329.6 Ų29.618%0.17614%0.138CC..  trans-129.461.7-168.367.3-37.8000115.1G207 N209 V244 A248G207-N246 WeakPolarHBondContact O-CA 3.39Å; N209-N246 PolarHBondContact O-ND2 2.95Å; V244-N246 HydrophobicContact CG1-CB 4.08Å; N246-A248 PolarHBondContact O-N 3.46Å
247P97.9Very high97.7Very high1 Ų128.4 Ų28.41%0.00613%0.133CC..  trans-59.7137.4173.826.4-31.4000110.2Q72 L74 I79 F208 L269Q72-P247 CarbonylContact O-C 3.57Å; Q72-P247 WeakPolarHBondContact O-CA 3.26Å; L74-P247 HydrophobicContact CD1-CG 4.49Å; I79-P247 HydrophobicContact CD1-CB 4.1Å; I79-P247 HydrophobicContact CG1-CB 4.05Å; I79-P247 HydrophobicContact CG2-CB 4.15Å; I79-P247 HydrophobicContact CG2-CG 4.29Å; F208-P247 WeakPolarHBondContact CA-O 3.45Å; F208-P247 HydrophobicContact CD1-CG 4.02Å; F208-P247 VanDerWaalsContact CD1-O 3.23Å; F208-P247 WeakPolarHBondContact CD1-O 3.42Å; F208-P247 HydrophobicContact CE1-CG 3.97Å; P247-L269 HydrophobicContact CG-CD2 4.48Å
248A96.6Very high97.6Very high4 Ų427.9 Ų27.93%0.03313%0.134CC..  trans-73.1128.2166.700000108.6W19 I30 Y71 Q72 R73 N246W19-A248 HydrophobicContact CH2-CB 4.39Å; I30-A248 HydrophobicContact CD1-CB 3.93Å; Y71-A248 HydrophobicContact CD1-CB 4.5Å; Y71-A248 HydrophobicContact CG-CB 4.17Å; Q72-A248 PolarHBondContact O-N 3.29Å; R73-A248 WeakPolarHBondContact CD-O 3.35Å; R73-A248 VanDerWaalsContact NH1-C 3.28Å; R73-A248 PolarHBondContact NH1-O 2.74Å; N246-A248 PolarHBondContact O-N 3.46Å
249I96.4Very high97.7Very high4 Ų420.3 Ų20.32%0.02110%0.098CC..  trans-110.8-0.5176.964-178.2000112.8I60 R73 F208 K261 A265I60-I249 HydrophobicContact CG1-CB 4.46Å; I60-I249 HydrophobicContact CG2-CG2 4.4Å; R73-I249 VanDerWaalsContact NH1-CA 3.29Å; F208-I249 HydrophobicContact CB-CD1 3.93Å; F208-I249 HydrophobicContact CB-CG1 3.89Å; F208-I249 HydrophobicContact CD1-CB 4.44Å; F208-I249 HydrophobicContact CD1-CD1 3.8Å; F208-I249 HydrophobicContact CD1-CG1 4.13Å; F208-I249 HydrophobicContact CD1-CG2 3.59Å; F208-I249 HydrophobicContact CD2-CD1 4.07Å; F208-I249 HydrophobicContact CE1-CD1 4.38Å; F208-I249 HydrophobicContact CE1-CG2 4.1Å; F208-I249 HydrophobicContact CG-CD1 3.63Å; F208-I249 HydrophobicContact CG-CG1 4.05Å; F208-I249 HydrophobicContact CG-CG2 4.38Å; I249-K261 HydrophobicContact CD1-CB 3.9Å; I249-K261 WeakPolarHBondContact O-CE 3.25Å; I249-K261 PolarHBondContact O-NZ 3.49Å; I249-A265 HydrophobicContact CD1-CB 3.86Å; I249-A265 HydrophobicContact CG2-CB 3.95Å
250G95.4Very high97.8Very high3 Ų313.4 Ų13.43%0.0317%0.068CC..  trans81.5168.6-174.800000113.3K261G250-K261 PolarHBondContact O-NZ 3.32Å
251P97.4Very high97.9Very high0 Ų09.7 Ų9.70%05%0.051CC..  trans-63.1153.8179.225.3-33.3000112.9W19 I30 K33 N35 K261W19-P251 HydrophobicContact CB-CG 3.96Å; W19-P251 HydrophobicContact CD2-CG 4.4Å; W19-P251 HydrophobicContact CG-CG 3.87Å; I30-P251 WeakPolarHBondContact O-CA 3.35Å; K33-P251 HydrophobicContact CB-CB 4.03Å; K33-P251 VanDerWaalsContact O-CB 3.26Å; K33-P251 WeakPolarHBondContact O-CB 3.18Å; N35-P251 HydrophobicContact CB-CB 4.05Å; N35-P251 HydrophobicContact CB-CG 3.84Å; N35-P251 PolarHBondContact ND2-O 2.96Å; P251-K261 PolarHBondContact O-NZ 3.05Å
252E98.7Very high97.9Very high4 Ų45 Ų52%0.0193%0.031CC..  trans-70.8148175.9-64.3-70.1-178.900111.7N35 L254 M260 K261 G262N35-E252 VanDerWaalsContact CB-O 3.24Å; N35-E252 WeakPolarHBondContact CB-O 3.48Å; E252-L254 WeakPolarHBondContact CB-O 3.15Å; E252-L254 PolarHBondContact O-N 2.84Å; E252-M260 HydrophobicContact CB-CE 4.17Å; E252-M260 WeakPolarHBondContact OE2-CB 3.15Å; E252-K261 PolarHBondContact OE1-N 2.97Å; E252-K261 WeakPolarHBondContact OE2-CB 3.43Å; E252-K261 WeakPolarHBondContact OE2-CD 3.49Å; E252-K261 VanDerWaalsContact OE2-CG 3.22Å; E252-K261 WeakPolarHBondContact OE2-CG 3.31Å; E252-K261 PolarHBondContact OE2-N 3.33Å; E252-G262 PolarHBondContact OE1-N 3.29Å
253G98.3Very high97.9Very high0 Ų05.1 Ų5.10%03%0.031CC..SBendtrans-59.4-32174.900000113T38 C56 N503T38-G253 WeakPolarHBondContact CB-O 3.42Å; T38-G253 PolarHBondContact OG1-O 3.08Å; C56-G253 VanDerWaalsContact SG-CA 3.53Å; G253-N503 WeakPolarHBondContact O-CB 3.25Å
254L98.6Very high97.9Very high0 Ų05.1 Ų5.10%03%0.031CC..SBendtrans-113.3111.2163.7174.862.6000107.4E252 G256 S257 M260 T352 F353 T491 I500 M505E252-L254 WeakPolarHBondContact CB-O 3.15Å; E252-L254 PolarHBondContact O-N 2.84Å; L254-G256 PolarHBondContact O-N 2.88Å; L254-S257 WeakPolarHBondContact O-CB 3.37Å; L254-S257 PolarHBondContact O-N 3.15Å; L254-M260 HydrophobicContact CB-CE 3.92Å; L254-T352 HydrophobicContact CD2-CG2 4.05Å; L254-F353 HydrophobicContact CD2-CE1 3.68Å; L254-F353 HydrophobicContact CD2-CZ 3.94Å; L254-T491 HydrophobicContact CD2-CG2 4.19Å; L254-I500 HydrophobicContact CD1-CB 4.29Å; L254-I500 HydrophobicContact CD1-CD1 4.29Å; L254-I500 HydrophobicContact CD1-CG2 3.84Å; L254-I500 HydrophobicContact CD2-CG2 4.33Å; L254-M505 HydrophobicContact CD1-CG 4Å; L254-M505 HydrophobicContact CD2-CE 4.17Å; L254-M505 HydrophobicContact CD2-CG 3.9Å; L254-M505 HydrophobicContact CG-CE 4.1Å; L254-M505 HydrophobicContact CG-CG 3.88Å
255S98.2Very high97.9Very high3 Ų35 Ų52%0.0213%0.031CC..THydrogen-bonded Turntrans-51.1127.3-168.7-50.10000112.2S34 S257 N503 H504S34-S255 WeakPolarHBondContact CA-OG 3.38Å; S255-S257 VanDerWaalsContact C-N 3.28Å; S255-S257 PolarHBondContact O-N 3.48Å; S255-N503 VanDerWaalsContact CB-O 3.3Å; S255-N503 WeakPolarHBondContact CB-O 3.41Å; S255-N503 PolarHBondContact N-O 3.03Å; S255-N503 PolarHBondContact OG-O 3.14Å; S255-H504 PolarHBondContact OG-CE1 2.83Å; S255-H504 VanDerWaalsContact OG-CE1 3.29Å; S255-H504 PolarHBondContact OG-ND1 2.97Å
256G95.4Very high97.9Very high1 Ų15 Ų51%0.013%0.031CC..THydrogen-bonded Turntrans78.9-0.3179.700000115.8T31 L254 S258 R518T31-G256 VanDerWaalsContact O-CA 3.3Å; T31-G256 WeakPolarHBondContact O-CA 3.45Å; T31-G256 PolarHBondContact O-N 3.21Å; L254-G256 PolarHBondContact O-N 2.88Å; G256-S258 PolarHBondContact O-N 3.33Å; G256-R518 VanDerWaalsContact CA-CZ 3.43Å; G256-R518 VanDerWaalsContact CA-NH2 3.26Å; G256-R518 PolarHBondContact O-NH1 3.29Å; G256-R518 PolarHBondContact O-NH2 3.18Å
257S98Very high97.9Very high3 Ų33.4 Ų3.42%0.0212%0.023CC..  trans-76.967.1178-1630000111.7L254 S255 R259 M260L254-S257 WeakPolarHBondContact O-CB 3.37Å; L254-S257 PolarHBondContact O-N 3.15Å; S255-S257 VanDerWaalsContact C-N 3.28Å; S255-S257 PolarHBondContact O-N 3.48Å; S257-R259 PolarHBondContact O-N 3.38Å; S257-M260 WeakPolarHBondContact O-CB 3.14Å; S257-M260 PolarHBondContact O-N 3.46Å
258S97Very high97.9Very high30 Ų303.4 Ų3.421%0.212%0.022CC..THydrogen-bonded Turntrans-58.6-15.4-175.653.40000114.3G256 M260 G262 G263G256-S258 PolarHBondContact O-N 3.33Å; S258-M260 PolarHBondContact O-N 3.14Å; S258-G262 CarbonylContact O-C 3.55Å; S258-G262 WeakPolarHBondContact O-CA 3.41Å; S258-G263 PolarHBondContact O-N 2.58Å
259R98.2Very high98Very high3 Ų33.2 Ų3.21%0.0112%0.021CC..THydrogen-bonded Turntrans-64.6-25.8173.576.1-172.7-169.497-3.2112.7T109 S257 D345 E348 K483 N487 S490 T491T109-R259 HydrophobicContact CG2-CB 4.21Å; T109-R259 WeakPolarHBondContact OG1-CB 3.33Å; S257-R259 PolarHBondContact O-N 3.38Å; R259-D345 IonicContact CZ-OD1 2.63Å; R259-D345 IonicContact NH1-OD1 2.66Å; R259-D345 PolarHBondContact NH1-OD1 3.23Å; R259-E348 HydrophobicContact CB-CG 4.2Å; R259-K483 WeakPolarHBondContact O-CE 3.45Å; R259-K483 PolarHBondContact O-NZ 2.9Å; R259-N487 PolarHBondContact NH1-ND2 3.44Å; R259-N487 VanDerWaalsContact NH1-ND2 3.15Å; R259-N487 PolarHBondContact O-OD1 3.21Å; R259-S490 PolarHBondContact NH1-OG 3.12Å; R259-S490 PolarHBondContact NH2-OG 3.14Å; R259-T491 PolarHBondContact NH2-OG1 2.73Å
260M98.6Very high98.2Very high11 Ų113 Ų35%0.0542%0.02CC..THydrogen-bonded Turntrans-81.2-102.9-176.9-54.2-167.5-45.100110.6L53 E252 L254 S257 S258 G262 G263 S264 K483 T491L53-M260 HydrophobicContact CD2-CE 4.35Å; E252-M260 HydrophobicContact CB-CE 4.17Å; E252-M260 WeakPolarHBondContact OE2-CB 3.15Å; L254-M260 HydrophobicContact CB-CE 3.92Å; S257-M260 WeakPolarHBondContact O-CB 3.14Å; S257-M260 PolarHBondContact O-N 3.46Å; S258-M260 PolarHBondContact O-N 3.14Å; M260-G262 PolarHBondContact O-N 3.25Å; M260-G263 PolarHBondContact O-N 3.49Å; M260-S264 WeakPolarHBondContact O-CB 3.24Å; M260-S264 PolarHBondContact O-N 2.96Å; M260-S264 PolarHBondContact O-OG 3.17Å; M260-K483 PolarHBondContact O-NZ 2.83Å; M260-T491 HydrophobicContact SD-CG2 4.35Å
261K98.6Very high98.3Very high1 Ų12.9 Ų2.90%0.0042%0.018CC..Hα-helixtrans-63-43.9-175.2-62.1166.362.1177.50111.4C56 E59 I60 I249 G250 P251 E252 G263 S264 A265C56-K261 HydrophobicContact CB-CD 4.11Å; C56-K261 VanDerWaalsContact O-CD 3.24Å; C56-K261 WeakPolarHBondContact O-CD 3.44Å; C56-K261 WeakPolarHBondContact O-CE 3.49Å; E59-K261 IonicContact OE2-NZ 3.69Å; E59-K261 PolarHBondContact OE2-NZ 3.4Å; I60-K261 HydrophobicContact CD1-CB 4Å; I60-K261 HydrophobicContact CD1-CG 4.32Å; I60-K261 HydrophobicContact CG1-CB 4.07Å; I60-K261 HydrophobicContact CG1-CG 4.32Å; I249-K261 HydrophobicContact CD1-CB 3.9Å; I249-K261 WeakPolarHBondContact O-CE 3.25Å; I249-K261 PolarHBondContact O-NZ 3.49Å; G250-K261 PolarHBondContact O-NZ 3.32Å; P251-K261 PolarHBondContact O-NZ 3.05Å; E252-K261 PolarHBondContact OE1-N 2.97Å; E252-K261 WeakPolarHBondContact OE2-CB 3.43Å; E252-K261 WeakPolarHBondContact OE2-CD 3.49Å; E252-K261 VanDerWaalsContact OE2-CG 3.22Å; E252-K261 WeakPolarHBondContact OE2-CG 3.31Å; E252-K261 PolarHBondContact OE2-N 3.33Å; K261-G263 PolarHBondContact O-N 3.47Å; K261-S264 PolarHBondContact O-N 3.17Å; K261-A265 VanDerWaalsContact O-CB 3.23Å; K261-A265 WeakPolarHBondContact O-CB 3.37Å; K261-A265 PolarHBondContact O-N 3.37Å
262G98.6Very high98.3Very high0 Ų02.9 Ų2.90%02%0.018CC..Hα-helixtrans-57.2-45.517800000112.9F208 E252 S258 M260 T266F208-G262 VanDerWaalsContact CE2-O 3.26Å; F208-G262 WeakPolarHBondContact CE2-O 3.5Å; E252-G262 PolarHBondContact OE1-N 3.29Å; S258-G262 CarbonylContact O-C 3.55Å; S258-G262 WeakPolarHBondContact O-CA 3.41Å; M260-G262 PolarHBondContact O-N 3.25Å; G262-T266 WeakPolarHBondContact O-CB 3.36Å; G262-T266 PolarHBondContact O-N 2.67Å; G262-T266 PolarHBondContact O-OG1 3.19Å
263G98.7Very high98.3Very high1 Ų12.7 Ų2.71%0.012%0.018CC..Hα-helixtrans-65.1-45.4175.200000112.5S258 M260 K261 T266 K267S258-G263 PolarHBondContact O-N 2.58Å; M260-G263 PolarHBondContact O-N 3.49Å; K261-G263 PolarHBondContact O-N 3.47Å; G263-T266 WeakPolarHBondContact O-CB 3.36Å; G263-T266 PolarHBondContact O-N 3.11Å; G263-K267 PolarHBondContact O-N 2.91Å; G263-K267 VanDerWaalsContact O-N 3.08Å
264S98.9Very high98.3Very high0 Ų02.7 Ų2.70%02%0.018CC..Hα-helixtrans-62.3-47.1177.9-65.10000111.6M260 K261 T266 K267 I268 K483 W484M260-S264 WeakPolarHBondContact O-CB 3.24Å; M260-S264 PolarHBondContact O-N 2.96Å; M260-S264 PolarHBondContact O-OG 3.17Å; K261-S264 PolarHBondContact O-N 3.17Å; S264-T266 VanDerWaalsContact C-N 3.35Å; S264-T266 PolarHBondContact O-N 3.24Å; S264-K267 WeakPolarHBondContact O-CB 3.39Å; S264-K267 PolarHBondContact O-N 2.76Å; S264-I268 WeakPolarHBondContact O-CD1 3.47Å; S264-I268 VanDerWaalsContact O-CG1 3.26Å; S264-I268 WeakPolarHBondContact O-CG1 3.49Å; S264-I268 PolarHBondContact O-N 3.42Å; S264-K483 PolarHBondContact OG-NZ 3.41Å; S264-W484 PolarHBondContact OG-NE1 2.91Å
265A98.8Very high98.2Very high2 Ų22.7 Ų2.72%0.0172%0.018CC..Hα-helixtrans-64.7-37.617800000112I60 F208 I249 K261 K267 I268 L269I60-A265 HydrophobicContact CD1-CB 4.39Å; I60-A265 HydrophobicContact CG2-CB 3.93Å; F208-A265 HydrophobicContact CD1-CB 4.19Å; F208-A265 HydrophobicContact CE1-CB 3.45Å; F208-A265 VanDerWaalsContact CE1-CB 3.45Å; F208-A265 HydrophobicContact CE2-CB 4.37Å; F208-A265 HydrophobicContact CZ-CB 3.57Å; I249-A265 HydrophobicContact CD1-CB 3.86Å; I249-A265 HydrophobicContact CG2-CB 3.95Å; K261-A265 VanDerWaalsContact O-CB 3.23Å; K261-A265 WeakPolarHBondContact O-CB 3.37Å; K261-A265 PolarHBondContact O-N 3.37Å; A265-K267 PolarHBondContact O-N 3.25Å; A265-I268 PolarHBondContact O-N 3.23Å; A265-L269 WeakPolarHBondContact O-CB 3.46Å; A265-L269 PolarHBondContact O-N 3.14Å
266T98.9Very high98.1Very high1 Ų12.6 Ų2.61%0.0062%0.017CC..Hα-helixtrans-58.2-49.1172.9-61.50000110.7M113 I178 F208 G262 G263 S264 L269 L270M113-T266 HydrophobicContact CB-CG2 4.22Å; I178-T266 HydrophobicContact CD1-CG2 4.06Å; I178-T266 HydrophobicContact CG1-CG2 4.49Å; I178-T266 HydrophobicContact CG2-CG2 3.66Å; F208-T266 WeakPolarHBondContact CE2-OG1 3.31Å; G262-T266 WeakPolarHBondContact O-CB 3.36Å; G262-T266 PolarHBondContact O-N 2.67Å; G262-T266 PolarHBondContact O-OG1 3.19Å; G263-T266 WeakPolarHBondContact O-CB 3.36Å; G263-T266 PolarHBondContact O-N 3.11Å; S264-T266 VanDerWaalsContact C-N 3.35Å; S264-T266 PolarHBondContact O-N 3.24Å; T266-L269 PolarHBondContact O-N 3.28Å; T266-L270 HydrophobicContact CG2-CD1 3.78Å; T266-L270 HydrophobicContact CG2-CG 4.4Å; T266-L270 WeakPolarHBondContact O-CB 3.37Å; T266-L270 WeakPolarHBondContact O-CG 3.29Å; T266-L270 PolarHBondContact O-N 3.09Å
267K98.8Very high98.2Very high0 Ų02.6 Ų2.60%02%0.017CC..Hα-helixtrans-58.6-54.3179.3-168.9-177.7-166-67.80110.9M113 M117 G263 S264 A265 L269 L270 E271 F476 E479 L480M113-K267 HydrophobicContact CE-CB 4.39Å; M113-K267 HydrophobicContact SD-CB 4Å; M113-K267 HydrophobicContact SD-CG 4.36Å; M117-K267 HydrophobicContact CE-CG 4.08Å; G263-K267 PolarHBondContact O-N 2.91Å; G263-K267 VanDerWaalsContact O-N 3.08Å; S264-K267 WeakPolarHBondContact O-CB 3.39Å; S264-K267 PolarHBondContact O-N 2.76Å; A265-K267 PolarHBondContact O-N 3.25Å; K267-L269 PolarHBondContact O-N 3.24Å; K267-L270 PolarHBondContact O-N 2.77Å; K267-E271 WeakPolarHBondContact CE-OE1 3.39Å; K267-E271 HydrophobicContact CG-CG 4.4Å; K267-E271 WeakPolarHBondContact CG-OE2 3.3Å; K267-E271 IonicContact NZ-OE1 2.73Å; K267-E271 PolarHBondContact NZ-OE1 3.46Å; K267-E271 IonicContact NZ-OE2 3.55Å; K267-E271 PolarHBondContact NZ-OE2 3.26Å; K267-E271 VanDerWaalsContact O-CB 3.31Å; K267-E271 WeakPolarHBondContact O-CB 3.14Å; K267-E271 VanDerWaalsContact O-CG 3.25Å; K267-E271 WeakPolarHBondContact O-CG 3.44Å; K267-E271 PolarHBondContact O-N 3.21Å; K267-F476 PolarHBondContact NZ-O 3.16Å; K267-E479 WeakPolarHBondContact CE-OE2 3.25Å; K267-E479 IonicContact NZ-OE2 2.83Å; K267-E479 PolarHBondContact NZ-OE2 3.12Å; K267-L480 HydrophobicContact CD-CB 4.31Å; K267-L480 HydrophobicContact CD-CD1 4.24Å
268I98.8Very high98.1Very high0 Ų02.5 Ų2.50%02%0.016CC..Hα-helixtrans-55.7-49.1179.6-66.9160.9000111.3I60 F61 L74 S264 A265 T272 L296 F299 L480I60-I268 HydrophobicContact CG2-CD1 4.29Å; F61-I268 HydrophobicContact CE1-CD1 3.96Å; F61-I268 HydrophobicContact CZ-CD1 3.66Å; L74-I268 HydrophobicContact CD2-CG2 4.43Å; S264-I268 WeakPolarHBondContact O-CD1 3.47Å; S264-I268 VanDerWaalsContact O-CG1 3.26Å; S264-I268 WeakPolarHBondContact O-CG1 3.49Å; S264-I268 PolarHBondContact O-N 3.42Å; A265-I268 PolarHBondContact O-N 3.23Å; I268-T272 WeakPolarHBondContact O-CB 3.36Å; I268-T272 PolarHBondContact O-N 2.88Å; I268-T272 PolarHBondContact O-OG1 3.35Å; I268-L296 HydrophobicContact CG2-CD2 3.46Å; I268-L296 VanDerWaalsContact CG2-CD2 3.46Å; I268-F299 HydrophobicContact CB-CD2 4.35Å; I268-F299 HydrophobicContact CD1-CB 4.48Å; I268-F299 HydrophobicContact CG1-CB 4.13Å; I268-F299 HydrophobicContact CG1-CD1 4.39Å; I268-F299 HydrophobicContact CG1-CD2 4.29Å; I268-F299 HydrophobicContact CG1-CG 4.03Å; I268-F299 HydrophobicContact CG2-CB 4.37Å; I268-F299 HydrophobicContact CG2-CD2 3.78Å; I268-F299 HydrophobicContact CG2-CE2 4.36Å; I268-F299 HydrophobicContact CG2-CG 4.26Å; I268-L480 HydrophobicContact CD1-CD2 3.92Å; I268-L480 HydrophobicContact CG1-CD1 4.46Å; I268-L480 HydrophobicContact CG1-CD2 3.68Å
269L98.6Very high97.9Very high0 Ų02.5 Ų2.50%01%0.012CC..Hα-helixtrans-64.4-48.8-174.7-17569.2000111.8L74 M83 V206 L245 P247 A265 T266 K267 L273L74-L269 HydrophobicContact CD1-CD1 3.92Å; M83-L269 HydrophobicContact CE-CD1 3.87Å; M83-L269 HydrophobicContact CG-CD1 3.87Å; M83-L269 HydrophobicContact SD-CD1 3.5Å; M83-L269 VanDerWaalsContact SD-CD1 3.5Å; V206-L269 HydrophobicContact CG1-CD2 3.86Å; L245-L269 HydrophobicContact CD1-CD1 4.31Å; L245-L269 HydrophobicContact CD2-CD1 3.92Å; L245-L269 HydrophobicContact CD2-CD2 3.5Å; L245-L269 HydrophobicContact CD2-CG 3.67Å; L245-L269 HydrophobicContact CG-CD1 4.19Å; L245-L269 HydrophobicContact CG-CD2 3.6Å; L245-L269 HydrophobicContact CG-CG 4.19Å; P247-L269 HydrophobicContact CG-CD2 4.48Å; A265-L269 WeakPolarHBondContact O-CB 3.46Å; A265-L269 PolarHBondContact O-N 3.14Å; T266-L269 PolarHBondContact O-N 3.28Å; K267-L269 PolarHBondContact O-N 3.24Å; L269-L273 WeakPolarHBondContact O-CD2 3.33Å; L269-L273 PolarHBondContact O-N 3.05Å; L269-L273 VanDerWaalsContact O-N 3.14Å
270L98.8Very high97.7Very high0 Ų02.9 Ų2.90%02%0.015CC..Hα-helixtrans-72.1-42.5-177.5-67.3-178.1000112.1L104 M117 I176 I178 V206 T266 K267 T272 L273 L274L104-L270 HydrophobicContact CD2-CD1 3.85Å; M117-L270 HydrophobicContact CG-CB 4.39Å; M117-L270 HydrophobicContact CG-CD1 4.28Å; M117-L270 HydrophobicContact SD-CB 4.2Å; I176-L270 HydrophobicContact CD1-CD2 4.41Å; I176-L270 HydrophobicContact CG2-CD1 4.48Å; I176-L270 HydrophobicContact CG2-CD2 3.84Å; I178-L270 HydrophobicContact CD1-CD1 3.65Å; I178-L270 HydrophobicContact CG1-CD1 4.24Å; V206-L270 HydrophobicContact CG2-CD2 4.05Å; T266-L270 HydrophobicContact CG2-CD1 3.78Å; T266-L270 HydrophobicContact CG2-CG 4.4Å; T266-L270 WeakPolarHBondContact O-CB 3.37Å; T266-L270 WeakPolarHBondContact O-CG 3.29Å; T266-L270 PolarHBondContact O-N 3.09Å; K267-L270 PolarHBondContact O-N 2.77Å; L270-T272 VanDerWaalsContact C-N 3.31Å; L270-T272 PolarHBondContact O-N 3.26Å; L270-L273 HydrophobicContact CD2-CD2 3.87Å; L270-L273 PolarHBondContact O-N 2.54Å; L270-L274 WeakPolarHBondContact O-CB 3.42Å; L270-L274 WeakPolarHBondContact O-CG 3.36Å; L270-L274 PolarHBondContact O-N 3.05Å
271E98.5Very high97.4Very high0 Ų04.4 Ų4.40%03%0.025CC..Hα-helixtrans-62.5-43.2177.4-71.1175.5159.600111M117 F121 K267 L275 F299 F476M117-E271 HydrophobicContact CE-CG 3.9Å; M117-E271 VanDerWaalsContact CE-OE1 3.25Å; M117-E271 WeakPolarHBondContact CE-OE1 3.25Å; M117-E271 HydrophobicContact SD-CG 3.47Å; M117-E271 WeakPolarHBondContact SD-CG 3.48Å; F121-E271 HydrophobicContact CE2-CG 4.35Å; K267-E271 WeakPolarHBondContact CE-OE1 3.39Å; K267-E271 HydrophobicContact CG-CG 4.4Å; K267-E271 WeakPolarHBondContact CG-OE2 3.3Å; K267-E271 IonicContact NZ-OE1 2.73Å; K267-E271 PolarHBondContact NZ-OE1 3.46Å; K267-E271 IonicContact NZ-OE2 3.55Å; K267-E271 PolarHBondContact NZ-OE2 3.26Å; K267-E271 VanDerWaalsContact O-CB 3.31Å; K267-E271 WeakPolarHBondContact O-CB 3.14Å; K267-E271 VanDerWaalsContact O-CG 3.25Å; K267-E271 WeakPolarHBondContact O-CG 3.44Å; K267-E271 PolarHBondContact O-N 3.21Å; E271-L275 WeakPolarHBondContact O-CB 3.5Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 3.13Å; E271-F299 HydrophobicContact CB-CZ 4.16Å; E271-F299 WeakPolarHBondContact OE2-CZ 3.47Å; E271-F476 HydrophobicContact CB-CD2 3.9Å; E271-F476 HydrophobicContact CB-CE2 4.12Å; E271-F476 VanDerWaalsContact CD-CG 3.45Å; E271-F476 HydrophobicContact CG-CD2 3.94Å; E271-F476 HydrophobicContact CG-CE2 4.07Å; E271-F476 HydrophobicContact CG-CG 4.22Å; E271-F476 HydrophobicContact CG-CZ 4.47Å; E271-F476 VanDerWaalsContact OE1-CD1 3.31Å; E271-F476 WeakPolarHBondContact OE1-CD1 3.39Å; E271-F476 WeakPolarHBondContact OE1-CG 3.28Å; E271-F476 WeakPolarHBondContact OE2-CB 3.46Å
272T98.3Very high97Very high0 Ų07 Ų70%04%0.039CC..Hα-helixtrans-61.1-48.5178.5-59.60000111.9M83 I268 L270 A276 L292 I295 L296M83-T272 HydrophobicContact CE-CG2 3.62Å; I268-T272 WeakPolarHBondContact O-CB 3.36Å; I268-T272 PolarHBondContact O-N 2.88Å; I268-T272 PolarHBondContact O-OG1 3.35Å; L270-T272 VanDerWaalsContact C-N 3.31Å; L270-T272 PolarHBondContact O-N 3.26Å; T272-A276 PolarHBondContact O-N 2.96Å; T272-L292 HydrophobicContact CG2-CB 4.06Å; T272-L292 HydrophobicContact CG2-CD2 3.81Å; T272-I295 HydrophobicContact CG2-CB 4.02Å; T272-I295 HydrophobicContact CG2-CD1 4.29Å; T272-I295 HydrophobicContact CG2-CG2 4.07Å; T272-L296 HydrophobicContact CG2-CD2 4.23Å; T272-L296 HydrophobicContact CG2-CG 4.13Å
273L97.8Very high96.5Very high1 Ų110.1 Ų10.11%0.0055%0.053CC..Hα-helixtrans-72.1-36.4-177.47985.5000112.3M83 V86 A87 L245 L269 L270 A277M83-L273 HydrophobicContact CB-CB 4.28Å; M83-L273 HydrophobicContact CE-CB 4.2Å; V86-L273 HydrophobicContact CG1-CD1 3.91Å; A87-L273 WeakPolarHBondContact CB-O 2.96Å; L245-L273 HydrophobicContact CD2-CD2 3.8Å; L269-L273 WeakPolarHBondContact O-CD2 3.33Å; L269-L273 PolarHBondContact O-N 3.05Å; L269-L273 VanDerWaalsContact O-N 3.14Å; L270-L273 HydrophobicContact CD2-CD2 3.87Å; L270-L273 PolarHBondContact O-N 2.54Å; L273-A277 PolarHBondContact O-N 3.48Å; L273-A277 VanDerWaalsContact O-N 3.11Å
274L98.3Very high96.1Very high0 Ų013.1 Ų13.10%08%0.084CC..Hα-helixtrans-74.2-39.4-178.6-69.6175.9000110.9V90 F121 Y134 I176 L270 A276 A277 H278V90-L274 HydrophobicContact CG1-CD2 3.9Å; V90-L274 HydrophobicContact CG2-CD2 4.03Å; F121-L274 HydrophobicContact CD1-CB 4.15Å; F121-L274 HydrophobicContact CD2-CB 4.22Å; F121-L274 HydrophobicContact CD2-CD1 3.65Å; F121-L274 HydrophobicContact CE1-CB 3.55Å; F121-L274 HydrophobicContact CE2-CB 3.65Å; F121-L274 HydrophobicContact CE2-CD1 3.51Å; F121-L274 HydrophobicContact CE2-CG 4.22Å; F121-L274 HydrophobicContact CG-CB 4.47Å; F121-L274 HydrophobicContact CG-CD1 4.36Å; F121-L274 HydrophobicContact CZ-CB 3.28Å; F121-L274 HydrophobicContact CZ-CD1 4.1Å; F121-L274 HydrophobicContact CZ-CG 4.33Å; Y134-L274 HydrophobicContact CE1-CD1 4.16Å; Y134-L274 HydrophobicContact CE1-CD2 3.95Å; I176-L274 HydrophobicContact CD1-CD2 4.48Å; L270-L274 WeakPolarHBondContact O-CB 3.42Å; L270-L274 WeakPolarHBondContact O-CG 3.36Å; L270-L274 PolarHBondContact O-N 3.05Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.94Å; L274-A277 WeakPolarHBondContact O-CB 3.33Å; L274-A277 PolarHBondContact O-N 2.82Å; L274-A277 VanDerWaalsContact O-N 3.16Å; L274-H278 PolarHBondContact O-CD2 2.98Å; L274-H278 VanDerWaalsContact O-CD2 3.24Å; L274-H278 PolarHBondContact O-N 2.68Å
275L96.6Very high95.7Very high0 Ų016.9 Ų16.90%010%0.103CC..Hα-helixtrans-57.1-47.6171.2-80.5173.7000111.3F121 L124 E271 A277 H278 K279 I295 E469 F472 V473 F476F121-L275 HydrophobicContact CE1-CD2 4.18Å; F121-L275 HydrophobicContact CE1-CG 4.18Å; F121-L275 HydrophobicContact CZ-CG 4.18Å; L124-L275 HydrophobicContact CD1-CD2 4.13Å; E271-L275 WeakPolarHBondContact O-CB 3.5Å; E271-L275 WeakPolarHBondContact O-CG 3.34Å; E271-L275 PolarHBondContact O-N 3.13Å; L275-A277 PolarHBondContact O-N 3.47Å; L275-H278 PolarHBondContact O-N 2.53Å; L275-H278 VanDerWaalsContact O-N 3.15Å; L275-K279 WeakPolarHBondContact O-CB 3.42Å; L275-K279 PolarHBondContact O-N 3.32Å; L275-I295 HydrophobicContact CB-CD1 4.22Å; L275-I295 HydrophobicContact CD1-CG2 4.42Å; L275-E469 HydrophobicContact CD2-CB 4.28Å; L275-E469 HydrophobicContact CD2-CG 4.14Å; L275-F472 HydrophobicContact CD2-CB 4.17Å; L275-V473 HydrophobicContact CD1-CG2 3.67Å; L275-F476 HydrophobicContact CD1-CD2 3.88Å; L275-F476 HydrophobicContact CD1-CE2 3.75Å; L275-F476 HydrophobicContact CD2-CE2 3.99Å; L275-F476 HydrophobicContact CG-CE2 3.91Å
276A95.9Very high95.4Very high1 Ų120.1 Ų20.11%0.00813%0.13CC..Hα-helixtrans-59.7-35.3176.800000112.9T272 L274 T280 A287 L292T272-A276 PolarHBondContact O-N 2.96Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.94Å; A276-T280 PolarHBondContact O-N 3.05Å; A276-T280 VanDerWaalsContact O-N 3.1Å; A276-T280 PolarHBondContact O-OG1 3.45Å; A276-A287 HydrophobicContact CB-CB 4.04Å; A276-L292 HydrophobicContact CB-CD2 3.74Å
277A96.9Very high95.1Very high0 Ų020.8 Ų20.80%014%0.136CC..Hα-helixtrans-66.1-47.2174.800000111.9A87 V90 L94 L273 L274 L275 T280 V281A87-A277 HydrophobicContact CB-CB 4.16Å; V90-A277 HydrophobicContact CB-CB 3.76Å; V90-A277 HydrophobicContact CG1-CB 3.62Å; L94-A277 HydrophobicContact CD1-CB 4.33Å; L273-A277 PolarHBondContact O-N 3.48Å; L273-A277 VanDerWaalsContact O-N 3.11Å; L274-A277 WeakPolarHBondContact O-CB 3.33Å; L274-A277 PolarHBondContact O-N 2.82Å; L274-A277 VanDerWaalsContact O-N 3.16Å; L275-A277 PolarHBondContact O-N 3.47Å; A277-T280 WeakPolarHBondContact O-CB 3.24Å; A277-T280 PolarHBondContact O-N 3.05Å; A277-V281 PolarHBondContact O-N 3.32Å
278H96.1Very high94.9Very high1 Ų123.2 Ų23.21%0.00515%0.152CC..Hα-helixtrans-61.7-46.7176.8-83.1-78.7000112.1F121 L124 Y134 L274 L275 T280 V281 D282 Y468F121-H278 AromaticContact CD1-CD2 3.57Å; F121-H278 AromaticContact CD1-NE2 3.65Å; F121-H278 AromaticContact CE1-CD2 3.92Å; L124-H278 HydrophobicContact CD2-CB 4.42Å; Y134-H278 AromaticContact CE2-CE1 3.97Å; Y134-H278 AromaticContact CE2-NE2 3.47Å; Y134-H278 WeakPolarHBondContact CE2-NE2 3.16Å; Y134-H278 AromaticContact CZ-NE2 3.52Å; Y134-H278 PolarHBondContact OH-NE2 3.29Å; L274-H278 PolarHBondContact O-CD2 2.98Å; L274-H278 VanDerWaalsContact O-CD2 3.24Å; L274-H278 PolarHBondContact O-N 2.68Å; L275-H278 PolarHBondContact O-N 2.53Å; L275-H278 VanDerWaalsContact O-N 3.15Å; H278-T280 PolarHBondContact O-N 3.23Å; H278-V281 PolarHBondContact O-N 3.47Å; H278-D282 PolarHBondContact O-N 3.23Å; H278-Y468 HydrophobicContact CB-CE1 4.26Å
279K93Very high94.7Very high31 Ų3126.2 Ų26.214%0.13517%0.166CC..Hα-helixtrans-58.4-34.6175.2179.3174.8178.1-178.20112.7L275 V281 Q283 I285 Y468 E469L275-K279 WeakPolarHBondContact O-CB 3.42Å; L275-K279 PolarHBondContact O-N 3.32Å; K279-V281 VanDerWaalsContact C-N 3.35Å; K279-Q283 HydrophobicContact CG-CB 4.39Å; K279-Q283 WeakPolarHBondContact O-CA 3.49Å; K279-Q283 WeakPolarHBondContact O-CB 3.33Å; K279-Q283 PolarHBondContact O-N 3.39Å; K279-I285 HydrophobicContact CG-CB 4.39Å; K279-Y468 HydrophobicContact CB-CD1 4.39Å; K279-E469 WeakPolarHBondContact CB-OE1 3.48Å; K279-E469 HydrophobicContact CD-CG 4.47Å; K279-E469 WeakPolarHBondContact CD-OE1 3.3Å
280T93.6Very high94.3Very high11 Ų1134.9 Ų34.97%0.06720%0.199CC..Hα-helixtrans-67.2-37175.7-53.40000112.2A276 A277 H278 G284 I285 A287A276-T280 PolarHBondContact O-N 3.05Å; A276-T280 VanDerWaalsContact O-N 3.1Å; A276-T280 PolarHBondContact O-OG1 3.45Å; A277-T280 WeakPolarHBondContact O-CB 3.24Å; A277-T280 PolarHBondContact O-N 3.05Å; H278-T280 PolarHBondContact O-N 3.23Å; T280-G284 VanDerWaalsContact O-CA 3.27Å; T280-G284 WeakPolarHBondContact O-CA 3.27Å; T280-G284 PolarHBondContact O-N 3.28Å; T280-I285 VanDerWaalsContact CA-O 3.23Å; T280-I285 WeakPolarHBondContact CA-O 3.19Å; T280-I285 WeakPolarHBondContact CB-O 3.36Å; T280-I285 PolarHBondContact OG1-O 2.94Å; T280-A287 PolarHBondContact OG1-N 3.42Å; T280-A287 VanDerWaalsContact OG1-N 3.16Å
281V93.5Very high93.9Very high43 Ų4335.3 Ų35.326%0.26120%0.202SC..Hα-helixtrans-74.1-45.1178.9178.20000111.2Q91 L94 K95 A277 H278 K279Q91-V281 HydrophobicContact CB-CG2 3.72Å; L94-V281 HydrophobicContact CB-CG2 3.84Å; L94-V281 HydrophobicContact CD1-CG2 4.1Å; K95-V281 HydrophobicContact CG-CG1 4.21Å; K95-V281 HydrophobicContact CG-CG2 4.13Å; A277-V281 PolarHBondContact O-N 3.32Å; H278-V281 PolarHBondContact O-N 3.47Å; K279-V281 VanDerWaalsContact C-N 3.35Å
282D89.9Confident93.8Very high56 Ų5635.3 Ų35.330%0.29920%0.202SC..Hα-helixtrans-90.8-28-168.6-69.3-17.1000113.8L128 Q130 H278 Y468L128-D282 WeakPolarHBondContact CD1-OD2 3.46Å; Q130-D282 PolarHBondContact NE2-OD1 3.41Å; Q130-D282 PolarHBondContact NE2-OD2 3.42Å; H278-D282 PolarHBondContact O-N 3.23Å; D282-Y468 HydrophobicContact CB-CD2 4.29Å; D282-Y468 HydrophobicContact CB-CE2 3.54Å; D282-Y468 WeakPolarHBondContact OD2-CE2 3.3Å; D282-Y468 PolarHBondContact OD2-OH 3.04Å
283Q88.7Confident93.6Very high65 Ų6535.9 Ų35.930%0.30421%0.205SC..Hα-helixtrans-111.4-6.3177-61.6-161.5-44.700113.9K279 I285 E467 Y468K279-Q283 HydrophobicContact CG-CB 4.39Å; K279-Q283 WeakPolarHBondContact O-CA 3.49Å; K279-Q283 WeakPolarHBondContact O-CB 3.33Å; K279-Q283 PolarHBondContact O-N 3.39Å; Q283-I285 HydrophobicContact CB-CD1 4.13Å; Q283-I285 HydrophobicContact CB-CG1 4.11Å; Q283-I285 PolarHBondContact O-N 3.42Å; Q283-E467 PolarHBondContact NE2-OE2 3.02Å; Q283-Y468 HydrophobicContact CG-CD2 4.35Å; Q283-Y468 HydrophobicContact CG-CG 4.19Å
284G89.7Confident93.2Very high63 Ų6338.6 Ų38.665%0.64922%0.218SC*.  trans69.210.6-176.400000114.5T280T280-G284 VanDerWaalsContact O-CA 3.27Å; T280-G284 WeakPolarHBondContact O-CA 3.27Å; T280-G284 PolarHBondContact O-N 3.28Å
285I90.3Very high93Very high80 Ų8038.7 Ų38.741%0.4122%0.218SC..  trans-90.5107.8179.7-58.9174000108.7K279 T280 Q283K279-I285 HydrophobicContact CG-CB 4.39Å; T280-I285 VanDerWaalsContact CA-O 3.23Å; T280-I285 WeakPolarHBondContact CA-O 3.19Å; T280-I285 WeakPolarHBondContact CB-O 3.36Å; T280-I285 PolarHBondContact OG1-O 2.94Å; Q283-I285 HydrophobicContact CB-CD1 4.13Å; Q283-I285 HydrophobicContact CB-CG1 4.11Å; Q283-I285 PolarHBondContact O-N 3.42Å
286A92Very high93Very high69 Ų6938.7 Ų38.757%0.5722%0.218SC*.  trans-59.2139.4-18000000112.8S288A286-S288 PolarHBondContact O-N 3Å
287A92.3Very high92.8Very high16 Ų1641.3 Ų41.313%0.13223%0.228CC..  trans-53.8130.6171.100000110.9V84 A87 A276 T280V84-A287 HydrophobicContact CG1-CB 4.33Å; A87-A287 HydrophobicContact CB-CB 4.02Å; A276-A287 HydrophobicContact CB-CB 4.04Å; T280-A287 PolarHBondContact OG1-N 3.42Å; T280-A287 VanDerWaalsContact OG1-N 3.16Å
288S94.8Very high92.7Very high50 Ų5041.3 Ų41.335%0.3523%0.228SC..  trans-143.3156.2-179.964.10000110.1A286 R290 C291 L292A286-S288 PolarHBondContact O-N 3Å; S288-R290 PolarHBondContact O-N 3.03Å; S288-C291 WeakPolarHBondContact O-CB 3.43Å; S288-C291 PolarHBondContact O-N 3.16Å; S288-C291 PolarHBondContact OG-N 3.46Å; S288-L292 WeakPolarHBondContact O-CG 3.41Å; S288-L292 PolarHBondContact O-N 3.24Å; S288-L292 VanDerWaalsContact O-N 3.08Å
289Q94.1Very high92.7Very high63 Ų6341.2 Ų41.229%0.29423%0.228SC..Hα-helixtrans-54.3-38.9177.8-63.8-176.43.300111.8L80 T81 C291 L292 L293L80-Q289 HydrophobicContact CB-CG 4.05Å; T81-Q289 PolarHBondContact OG1-NE2 3.5Å; Q289-C291 PolarHBondContact O-N 3.21Å; Q289-L292 PolarHBondContact O-N 2.94Å; Q289-L293 WeakPolarHBondContact O-CB 3.21Å; Q289-L293 VanDerWaalsContact O-CG 3.27Å; Q289-L293 WeakPolarHBondContact O-CG 3.3Å; Q289-L293 PolarHBondContact O-N 3.01Å
290R91.6Very high92.8Very high182 Ų18239.8 Ų39.869%0.68722%0.221SC*.Hα-helixtrans-58.7-47.4175.9-179.7179.6172167.91.5112.1S288 L292 L293 E294S288-R290 PolarHBondContact O-N 3.03Å; R290-L292 VanDerWaalsContact C-N 3.34Å; R290-L292 PolarHBondContact O-N 3.25Å; R290-L293 PolarHBondContact O-N 3.43Å; R290-E294 IonicContact NE-OE1 2.88Å; R290-E294 PolarHBondContact NE-OE1 2.99Å; R290-E294 VanDerWaalsContact NE-OE1 3.16Å; R290-E294 IonicContact NH2-OE1 3.95Å; R290-E294 WeakPolarHBondContact O-CG 3.43Å; R290-E294 PolarHBondContact O-N 3.01Å; R290-E294 VanDerWaalsContact O-N 3.09Å
291C90.4Very high92.9Very high10 Ų1042.6 Ų42.67%0.06823%0.231CC..Hα-helixtrans-62.7-41.9179-169.70000111.4S288 Q289 E294 I295S288-C291 WeakPolarHBondContact O-CB 3.43Å; S288-C291 PolarHBondContact O-N 3.16Å; S288-C291 PolarHBondContact OG-N 3.46Å; Q289-C291 PolarHBondContact O-N 3.21Å; C291-E294 PolarHBondContact O-N 3.36Å; C291-I295 PolarHBondContact O-N 2.94Å
292L95.1Very high93.1Very high0 Ų040.6 Ų40.60%022%0.218CC..Hα-helixtrans-62.5-45.2176.8-57.1-179.5000111.1L80 M83 V84 T272 A276 S288 Q289 R290 E294 I295 L296L80-L292 HydrophobicContact CD2-CB 4.37Å; L80-L292 HydrophobicContact CD2-CD1 4.38Å; M83-L292 HydrophobicContact CB-CD1 3.65Å; M83-L292 HydrophobicContact CE-CD1 4.25Å; M83-L292 HydrophobicContact CE-CD2 4.37Å; M83-L292 HydrophobicContact SD-CD1 4.29Å; V84-L292 HydrophobicContact CG2-CD1 3.7Å; V84-L292 HydrophobicContact CG2-CG 4.44Å; T272-L292 HydrophobicContact CG2-CB 4.06Å; T272-L292 HydrophobicContact CG2-CD2 3.81Å; A276-L292 HydrophobicContact CB-CD2 3.74Å; S288-L292 WeakPolarHBondContact O-CG 3.41Å; S288-L292 PolarHBondContact O-N 3.24Å; S288-L292 VanDerWaalsContact O-N 3.08Å; Q289-L292 PolarHBondContact O-N 2.94Å; R290-L292 VanDerWaalsContact C-N 3.34Å; R290-L292 PolarHBondContact O-N 3.25Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 3.33Å; L292-I295 PolarHBondContact O-N 2.66Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.03Å
293L93.9Very high93.5Very high12 Ų1238.8 Ų38.86%0.06321%0.208CC..Hα-helixtrans-61.5-36.5179-72.4170.3000112.8F7 Y75 L80 Q289 R290 L296 R297F7-L293 HydrophobicContact CD1-CD1 3.68Å; F7-L293 HydrophobicContact CD1-CD2 4.47Å; F7-L293 HydrophobicContact CE1-CD1 3.77Å; F7-L293 HydrophobicContact CG-CD1 4.33Å; F7-L293 HydrophobicContact CG-CD2 4.32Å; Y75-L293 HydrophobicContact CD1-CD2 3.54Å; Y75-L293 HydrophobicContact CE1-CD2 3.89Å; L80-L293 HydrophobicContact CD1-CD2 4.12Å; L80-L293 HydrophobicContact CD1-CG 4.32Å; Q289-L293 WeakPolarHBondContact O-CB 3.21Å; Q289-L293 VanDerWaalsContact O-CG 3.27Å; Q289-L293 WeakPolarHBondContact O-CG 3.3Å; Q289-L293 PolarHBondContact O-N 3.01Å; R290-L293 PolarHBondContact O-N 3.43Å; L293-L296 PolarHBondContact O-N 2.94Å; L293-R297 WeakPolarHBondContact O-CB 3.42Å; L293-R297 WeakPolarHBondContact O-CD 3.44Å; L293-R297 WeakPolarHBondContact O-CG 3.41Å; L293-R297 PolarHBondContact O-N 3.26Å
294E91.3Very high93.9Very high57 Ų5740.7 Ų40.727%0.26622%0.217SC..Hα-helixtrans-62.9-41.2176.4-74.1170.3-170.400112R290 C291 L292 T298 F466R290-E294 IonicContact NE-OE1 2.88Å; R290-E294 PolarHBondContact NE-OE1 2.99Å; R290-E294 VanDerWaalsContact NE-OE1 3.16Å; R290-E294 IonicContact NH2-OE1 3.95Å; R290-E294 WeakPolarHBondContact O-CG 3.43Å; R290-E294 PolarHBondContact O-N 3.01Å; R290-E294 VanDerWaalsContact O-N 3.09Å; C291-E294 PolarHBondContact O-N 3.36Å; L292-E294 VanDerWaalsContact C-N 3.31Å; L292-E294 PolarHBondContact O-N 3.33Å; E294-T298 PolarHBondContact O-OG1 3.47Å; E294-F466 HydrophobicContact CB-CE1 4.48Å
295I93.6Very high94.3Very high3 Ų339.3 Ų39.32%0.01520%0.196CC..Hα-helixtrans-70.4-47.7175.8-59.5167000110.5T272 L275 C291 L292 R297 T298 F299 E469T272-I295 HydrophobicContact CG2-CB 4.02Å; T272-I295 HydrophobicContact CG2-CD1 4.29Å; T272-I295 HydrophobicContact CG2-CG2 4.07Å; L275-I295 HydrophobicContact CB-CD1 4.22Å; L275-I295 HydrophobicContact CD1-CG2 4.42Å; C291-I295 PolarHBondContact O-N 2.94Å; L292-I295 PolarHBondContact O-N 2.66Å; I295-R297 VanDerWaalsContact C-N 3.29Å; I295-R297 PolarHBondContact O-N 2.86Å; I295-T298 WeakPolarHBondContact O-CA 3.37Å; I295-T298 WeakPolarHBondContact O-CB 3.45Å; I295-T298 PolarHBondContact O-N 3.29Å; I295-F299 HydrophobicContact CG2-CD2 4.26Å; I295-F299 HydrophobicContact CG2-CE2 3.73Å; I295-F299 PolarHBondContact O-N 2.75Å; I295-E469 WeakPolarHBondContact CD1-OE2 3.36Å
296L95.8Very high94.7Very high0 Ų035.5 Ų35.50%018%0.176CC..Hα-helixtrans-56.9-40.6179.5-70.6174.2000112.4L74 Y75 L80 I268 T272 L292 L293 T298 F299 E300L74-L296 HydrophobicContact CD2-CD2 4.2Å; Y75-L296 HydrophobicContact CD1-CD1 3.95Å; Y75-L296 HydrophobicContact CE1-CB 3.76Å; Y75-L296 HydrophobicContact CE1-CD1 3.62Å; Y75-L296 HydrophobicContact CE1-CG 4.3Å; L80-L296 HydrophobicContact CD2-CD1 3.93Å; I268-L296 HydrophobicContact CG2-CD2 3.46Å; I268-L296 VanDerWaalsContact CG2-CD2 3.46Å; T272-L296 HydrophobicContact CG2-CD2 4.23Å; T272-L296 HydrophobicContact CG2-CG 4.13Å; L292-L296 VanDerWaalsContact O-CG 3.3Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3.03Å; L293-L296 PolarHBondContact O-N 2.94Å; L296-T298 PolarHBondContact O-N 3.28Å; L296-F299 PolarHBondContact O-N 2.81Å; L296-F299 VanDerWaalsContact O-N 3.11Å; L296-E300 PolarHBondContact O-N 2.96Å
297R92.7Very high95Very high55 Ų5533.3 Ų33.321%0.20815%0.154CC..Hα-helixtrans-62.3-24.4174.2-75169-179.4152.25.4113.4Q8 V10 L293 I295 R301Q8-R297 PolarHBondContact O-NE 2.79Å; Q8-R297 PolarHBondContact O-NH2 3.4Å; V10-R297 HydrophobicContact CG2-CB 4.3Å; L293-R297 WeakPolarHBondContact O-CB 3.42Å; L293-R297 WeakPolarHBondContact O-CD 3.44Å; L293-R297 WeakPolarHBondContact O-CG 3.41Å; L293-R297 PolarHBondContact O-N 3.26Å; I295-R297 VanDerWaalsContact C-N 3.29Å; I295-R297 PolarHBondContact O-N 2.86Å; R297-R301 PolarHBondContact O-N 2.93Å; R297-R301 PolarHBondContact O-NH1 2.62Å
298T94Very high95.2Very high0 Ų036.1 Ų36.10%017%0.172CC..Hα-helixtrans-71.9-39.9174.3-50.80000111.1E294 I295 L296 E300 R301 A302 L464 V473E294-T298 PolarHBondContact O-OG1 3.47Å; I295-T298 WeakPolarHBondContact O-CA 3.37Å; I295-T298 WeakPolarHBondContact O-CB 3.45Å; I295-T298 PolarHBondContact O-N 3.29Å; L296-T298 PolarHBondContact O-N 3.28Å; T298-E300 VanDerWaalsContact C-N 3.33Å; T298-R301 WeakPolarHBondContact O-CB 3.35Å; T298-R301 PolarHBondContact O-N 3.32Å; T298-R301 PolarHBondContact OG1-NH2 3.39Å; T298-A302 PolarHBondContact O-N 2.79Å; T298-L464 HydrophobicContact CG2-CD1 3.97Å; T298-L464 HydrophobicContact CG2-CD2 4.1Å; T298-V473 HydrophobicContact CG2-CG1 3.47Å; T298-V473 VanDerWaalsContact CG2-CG1 3.47Å
299F96.8Very high95.4Very high0 Ų035.6 Ų35.60%016%0.164CC..Hα-helixtrans-68.4-33.5172.6-64.9-59.6000112.7F61 I268 E271 I295 L296 A302 H303 F476 L480F61-F299 HydrophobicContact CE1-CB 4.14Å; F61-F299 HydrophobicContact CZ-CB 4.16Å; I268-F299 HydrophobicContact CB-CD2 4.35Å; I268-F299 HydrophobicContact CD1-CB 4.48Å; I268-F299 HydrophobicContact CG1-CB 4.13Å; I268-F299 HydrophobicContact CG1-CD1 4.39Å; I268-F299 HydrophobicContact CG1-CD2 4.29Å; I268-F299 HydrophobicContact CG1-CG 4.03Å; I268-F299 HydrophobicContact CG2-CB 4.37Å; I268-F299 HydrophobicContact CG2-CD2 3.78Å; I268-F299 HydrophobicContact CG2-CE2 4.36Å; I268-F299 HydrophobicContact CG2-CG 4.26Å; E271-F299 HydrophobicContact CB-CZ 4.16Å; E271-F299 WeakPolarHBondContact OE2-CZ 3.47Å; I295-F299 HydrophobicContact CG2-CD2 4.26Å; I295-F299 HydrophobicContact CG2-CE2 3.73Å; I295-F299 PolarHBondContact O-N 2.75Å; L296-F299 PolarHBondContact O-N 2.81Å; L296-F299 VanDerWaalsContact O-N 3.11Å; F299-A302 VanDerWaalsContact O-CB 3.31Å; F299-A302 WeakPolarHBondContact O-CB 3.3Å; F299-A302 PolarHBondContact O-N 2.82Å; F299-A302 VanDerWaalsContact O-N 3.17Å; F299-H303 PolarHBondContact O-N 2.97Å; F299-H303 VanDerWaalsContact O-N 3.14Å; F299-F476 HydrophobicContact CE1-CB 3.91Å; F299-F476 HydrophobicContact CZ-CB 4.07Å; F299-L480 HydrophobicContact CB-CD2 4.12Å; F299-L480 HydrophobicContact CD1-CD2 3.55Å; F299-L480 HydrophobicContact CE1-CD2 4.31Å; F299-L480 HydrophobicContact CG-CD2 4.16Å
300E95.8Very high95.6Very high0 Ų034.3 Ų34.30%016%0.162CC..Hα-helixtrans-62.7-44.3171.5-164.7-173.8-177.500111.7H9 V10 I11 F61 L296 T298 A302 H303 Q304H9-E300 WeakPolarHBondContact CA-OE1 3.26Å; H9-E300 WeakPolarHBondContact CB-OE1 3.12Å; H9-E300 IonicContact CG-OE1 3.84Å; H9-E300 IonicContact ND1-OE1 2.7Å; H9-E300 PolarHBondContact ND1-OE1 3.24Å; H9-E300 IonicContact ND1-OE2 2.68Å; V10-E300 HydrophobicContact CB-CG 4.31Å; V10-E300 PolarHBondContact N-OE1 3.4Å; V10-E300 PolarHBondContact N-OE2 2.94Å; I11-E300 HydrophobicContact CB-CG 4.19Å; I11-E300 HydrophobicContact CD1-CG 3.82Å; I11-E300 HydrophobicContact CG1-CG 3.55Å; I11-E300 WeakPolarHBondContact CG1-OE1 3.07Å; I11-E300 HydrophobicContact CG2-CG 4.04Å; I11-E300 WeakPolarHBondContact CG2-O 3.44Å; I11-E300 PolarHBondContact N-OE1 2.94Å; F61-E300 HydrophobicContact CD1-CB 4.33Å; F61-E300 HydrophobicContact CE1-CB 4.41Å; F61-E300 HydrophobicContact CG-CG 4.32Å; L296-E300 PolarHBondContact O-N 2.96Å; T298-E300 VanDerWaalsContact C-N 3.33Å; E300-A302 VanDerWaalsContact C-N 3.26Å; E300-A302 PolarHBondContact O-N 2.72Å; E300-H303 WeakPolarHBondContact O-CB 3.49Å; E300-H303 PolarHBondContact O-N 2.85Å; E300-Q304 PolarHBondContact O-N 2.86Å
301R95.3Very high96Very high71 Ų7129.9 Ų29.927%0.26816%0.157SC..Hα-helixtrans-58.7-38.8170.2-80.3-176-63.5-88.35.3112.5V10 R297 T298 H303 Q304 V305V10-R301 HydrophobicContact CB-CG 4.02Å; V10-R301 HydrophobicContact CG1-CG 3.47Å; V10-R301 VanDerWaalsContact CG1-CG 3.47Å; V10-R301 HydrophobicContact CG2-CG 4Å; R297-R301 PolarHBondContact O-N 2.93Å; R297-R301 PolarHBondContact O-NH1 2.62Å; T298-R301 WeakPolarHBondContact O-CB 3.35Å; T298-R301 PolarHBondContact O-N 3.32Å; T298-R301 PolarHBondContact OG1-NH2 3.39Å; R301-H303 PolarHBondContact O-N 3.14Å; R301-Q304 PolarHBondContact O-N 2.84Å; R301-V305 WeakPolarHBondContact O-CB 3.49Å; R301-V305 WeakPolarHBondContact O-CG2 3.46Å; R301-V305 PolarHBondContact O-N 2.64Å
302A97.7Very high96.4Very high0 Ų032.7 Ų32.70%017%0.168CC..Hα-helixtrans-60.9-35.7178.500000112T298 F299 E300 T306 W461 Q477 W484T298-A302 PolarHBondContact O-N 2.79Å; F299-A302 VanDerWaalsContact O-CB 3.31Å; F299-A302 WeakPolarHBondContact O-CB 3.3Å; F299-A302 PolarHBondContact O-N 2.82Å; F299-A302 VanDerWaalsContact O-N 3.17Å; E300-A302 VanDerWaalsContact C-N 3.26Å; E300-A302 PolarHBondContact O-N 2.72Å; A302-T306 VanDerWaalsContact O-CB 3.28Å; A302-T306 WeakPolarHBondContact O-CB 3.22Å; A302-T306 PolarHBondContact O-N 2.77Å; A302-T306 PolarHBondContact O-OG1 3.42Å; A302-W461 HydrophobicContact CB-CH2 3.81Å; A302-W461 HydrophobicContact CB-CZ3 3.72Å; A302-Q477 HydrophobicContact CB-CB 3.86Å; A302-W484 HydrophobicContact CB-CZ3 4.02Å
303H98.4Very high96.5Very high18 Ų1832.7 Ų32.78%0.08317%0.168CC..Hα-helixtrans-61-52.9174.5176-78.2000110.7I11 G54 F61 F299 E300 R301 V305 T306 Y307 W484I11-H303 HydrophobicContact CD1-CB 4.28Å; G54-H303 PolarHBondContact O-NE2 3.3Å; F61-H303 HydrophobicContact CE2-CB 4.2Å; F299-H303 PolarHBondContact O-N 2.97Å; F299-H303 VanDerWaalsContact O-N 3.14Å; E300-H303 WeakPolarHBondContact O-CB 3.49Å; E300-H303 PolarHBondContact O-N 2.85Å; R301-H303 PolarHBondContact O-N 3.14Å; H303-V305 PolarHBondContact O-N 3.3Å; H303-T306 PolarHBondContact O-N 2.84Å; H303-Y307 AromaticContact CD2-CD2 3.64Å; H303-Y307 AromaticContact CD2-CE2 3.68Å; H303-Y307 AromaticContact CE1-CD2 3.69Å; H303-Y307 AromaticContact NE2-CD2 3.42Å; H303-Y307 WeakPolarHBondContact NE2-CD2 3.47Å; H303-Y307 AromaticContact NE2-CE2 3.58Å; H303-Y307 PolarHBondContact O-N 3.41Å; H303-W484 VanDerWaalsContact CA-CZ3 3.41Å; H303-W484 HydrophobicContact CB-CH2 3.73Å; H303-W484 HydrophobicContact CB-CZ2 4.45Å; H303-W484 HydrophobicContact CB-CZ3 3.87Å; H303-W484 VanDerWaalsContact N-CZ3 3.3Å
304Q96.1Very high96.8Very high106 Ų10632.1 Ų32.150%0.49517%0.165SC..Hα-helixtrans-57.1-48.1179-166.9179.922.400112.3I11 E300 R301 T306 S308I11-Q304 HydrophobicContact CG2-CB 3.74Å; I11-Q304 HydrophobicContact CG2-CG 4.39Å; E300-Q304 PolarHBondContact O-N 2.86Å; R301-Q304 PolarHBondContact O-N 2.84Å; Q304-T306 VanDerWaalsContact C-N 3.3Å; Q304-T306 PolarHBondContact O-N 2.97Å; Q304-S308 WeakPolarHBondContact O-CB 3.16Å; Q304-S308 PolarHBondContact O-N 3.02Å
305V97.7Very high97.1Very high34 Ų3432.8 Ų32.821%0.20617%0.173CC..Hα-helixtrans-62.2-40.7-179.41660000110.7R301 H303 S308 I459 W461R301-V305 WeakPolarHBondContact O-CB 3.49Å; R301-V305 WeakPolarHBondContact O-CG2 3.46Å; R301-V305 PolarHBondContact O-N 2.64Å; H303-V305 PolarHBondContact O-N 3.3Å; V305-S308 PolarHBondContact O-OG 2.75Å; V305-I459 HydrophobicContact CG1-CG2 3.37Å; V305-W461 HydrophobicContact CB-CZ3 4.16Å; V305-W461 HydrophobicContact CG1-CD2 4.42Å; V305-W461 HydrophobicContact CG1-CE3 4.06Å; V305-W461 HydrophobicContact CG1-CH2 4.1Å; V305-W461 HydrophobicContact CG1-CZ2 4.45Å; V305-W461 HydrophobicContact CG1-CZ3 3.92Å
306T98.6Very high97.4Very high0 Ų032.8 Ų32.80%017%0.173CC..Hα-helixtrans-66.4-56178.9-56.20000111.5A302 H303 Q304 S308 Q309 I459 S481 W484 V485A302-T306 VanDerWaalsContact O-CB 3.28Å; A302-T306 WeakPolarHBondContact O-CB 3.22Å; A302-T306 PolarHBondContact O-N 2.77Å; A302-T306 PolarHBondContact O-OG1 3.42Å; H303-T306 PolarHBondContact O-N 2.84Å; Q304-T306 VanDerWaalsContact C-N 3.3Å; Q304-T306 PolarHBondContact O-N 2.97Å; T306-S308 PolarHBondContact O-N 3.25Å; T306-Q309 WeakPolarHBondContact O-CB 3.33Å; T306-Q309 PolarHBondContact O-N 2.96Å; T306-I459 HydrophobicContact CG2-CD1 4.48Å; T306-S481 WeakPolarHBondContact OG1-CA 3.33Å; T306-S481 WeakPolarHBondContact OG1-CB 3.5Å; T306-S481 PolarHBondContact OG1-OG 2.94Å; T306-W484 HydrophobicContact CG2-CB 4.21Å; T306-V485 HydrophobicContact CG2-CG2 3.65Å
307Y98.4Very high97.5Very high23 Ų2332.8 Ų32.89%0.0917%0.173CC..Hα-helixtrans-75.7-6.9-175.6-73.1-73.6000113.4V50 G54 D57 H303 Q309 S310 W484 T488V50-Y307 HydrophobicContact CG1-CD1 4.11Å; V50-Y307 HydrophobicContact CG1-CE1 4.25Å; G54-Y307 VanDerWaalsContact CA-CE1 3.49Å; D57-Y307 HydrophobicContact CB-CE2 4.27Å; D57-Y307 PolarHBondContact OD2-OH 3.14Å; H303-Y307 AromaticContact CD2-CD2 3.64Å; H303-Y307 AromaticContact CD2-CE2 3.68Å; H303-Y307 AromaticContact CE1-CD2 3.69Å; H303-Y307 AromaticContact NE2-CD2 3.42Å; H303-Y307 WeakPolarHBondContact NE2-CD2 3.47Å; H303-Y307 AromaticContact NE2-CE2 3.58Å; H303-Y307 PolarHBondContact O-N 3.41Å; Y307-Q309 PolarHBondContact O-N 2.69Å; Y307-S310 WeakPolarHBondContact O-CB 3.36Å; Y307-S310 PolarHBondContact O-N 3.35Å; Y307-S310 VanDerWaalsContact O-N 3.08Å; Y307-S310 PolarHBondContact O-OG 2.88Å; Y307-W484 HydrophobicContact CE2-CB 4.28Å; Y307-W484 HydrophobicContact CE2-CG 4.36Å; Y307-T488 PolarHBondContact OH-OG1 3.3Å
308S97.9Very high97.8Very high74 Ų7434.3 Ų34.352%0.51718%0.181SC..THydrogen-bonded Turntrans-58.8-22.1162.779.80000113Q304 V305 T306Q304-S308 WeakPolarHBondContact O-CB 3.16Å; Q304-S308 PolarHBondContact O-N 3.02Å; V305-S308 PolarHBondContact O-OG 2.75Å; T306-S308 PolarHBondContact O-N 3.25Å
309Q98.6Very high98Very high40 Ų4036.6 Ų36.619%0.18720%0.197CC..THydrogen-bonded Turntrans-94.114.8177-57-55.6-62.500113.4T306 Y307 P311 K312 I313 I457 I459T306-Q309 WeakPolarHBondContact O-CB 3.33Å; T306-Q309 PolarHBondContact O-N 2.96Å; Y307-Q309 PolarHBondContact O-N 2.69Å; Q309-P311 VanDerWaalsContact C-CD 3.4Å; Q309-P311 VanDerWaalsContact C-N 3.33Å; Q309-P311 VanDerWaalsContact O-N 3.12Å; Q309-K312 PolarHBondContact O-N 3.22Å; Q309-I313 HydrophobicContact CB-CD1 4.41Å; Q309-I313 PolarHBondContact O-N 3.28Å; Q309-I313 VanDerWaalsContact O-N 3.09Å; Q309-I457 HydrophobicContact CB-CG2 3.96Å; Q309-I457 HydrophobicContact CG-CG2 4.13Å; Q309-I459 HydrophobicContact CG-CG1 4.07Å
310S98.6Very high98.1Very high35 Ų3536.8 Ų36.825%0.24520%0.198CC..Hα-helixtrans-45.4-44.1-176.1-69.30000115.2V50 Y307 K312 I313 A314V50-S310 WeakPolarHBondContact CG1-OG 3.46Å; Y307-S310 WeakPolarHBondContact O-CB 3.36Å; Y307-S310 PolarHBondContact O-N 3.35Å; Y307-S310 VanDerWaalsContact O-N 3.08Å; Y307-S310 PolarHBondContact O-OG 2.88Å; S310-K312 VanDerWaalsContact C-N 3.3Å; S310-K312 PolarHBondContact O-N 3.45Å; S310-I313 PolarHBondContact O-N 2.96Å; S310-A314 PolarHBondContact O-N 3.44Å
311P98.6Very high98.2Very high89 Ų8937.2 Ų37.258%0.57820%0.201SC*.Hα-helixtrans-60-37.3178.6-25.235.4000113.7Q309 T315Q309-P311 VanDerWaalsContact C-CD 3.4Å; Q309-P311 VanDerWaalsContact C-N 3.33Å; Q309-P311 VanDerWaalsContact O-N 3.12Å; P311-T315 PolarHBondContact O-N 3.43Å; P311-T315 PolarHBondContact O-OG1 3.11Å
312K98.6Very high98.4Very high70 Ų7036.4 Ų36.430%0.30420%0.204SC..Hα-helixtrans-78.2-32.8178.7-59.8-179178.4169.60112Q309 S310 T315 L316 I456 I457Q309-K312 PolarHBondContact O-N 3.22Å; S310-K312 VanDerWaalsContact C-N 3.3Å; S310-K312 PolarHBondContact O-N 3.45Å; K312-T315 PolarHBondContact O-N 3.02Å; K312-L316 WeakPolarHBondContact O-CB 3.4Å; K312-L316 PolarHBondContact O-N 3.41Å; K312-I456 WeakPolarHBondContact CD-O 3.18Å; K312-I456 WeakPolarHBondContact CE-O 3.24Å; K312-I456 PolarHBondContact NZ-O 3.38Å; K312-I457 HydrophobicContact CB-CD1 4.38Å; K312-I457 HydrophobicContact CB-CG1 3.77Å; K312-I457 HydrophobicContact CD-CG1 4.38Å
313I98.8Very high98.5Very high0 Ų036.6 Ų36.60%021%0.205CC..Hα-helixtrans-61.8-46172.2-61.6165.7000109.6V50 Q309 S310 T315 L316 M317 V485 T488 V489V50-I313 HydrophobicContact CG1-CB 4.39Å; V50-I313 HydrophobicContact CG1-CG2 4.29Å; V50-I313 HydrophobicContact CG2-CB 4.22Å; V50-I313 HydrophobicContact CG2-CG2 3.77Å; Q309-I313 HydrophobicContact CB-CD1 4.41Å; Q309-I313 PolarHBondContact O-N 3.28Å; Q309-I313 VanDerWaalsContact O-N 3.09Å; S310-I313 PolarHBondContact O-N 2.96Å; I313-T315 VanDerWaalsContact C-N 3.35Å; I313-T315 PolarHBondContact O-N 2.95Å; I313-L316 PolarHBondContact O-N 3.4Å; I313-M317 WeakPolarHBondContact O-CB 3.13Å; I313-M317 PolarHBondContact O-N 2.91Å; I313-V485 HydrophobicContact CD1-CG2 4.03Å; I313-V485 HydrophobicContact CG1-CG1 4.34Å; I313-V485 HydrophobicContact CG1-CG2 4.23Å; I313-T488 HydrophobicContact CG2-CG2 3.94Å; I313-V489 HydrophobicContact CG2-CG2 3.93Å
314A98.8Very high98.5Very high0 Ų036.4 Ų36.40%021%0.205CC..Hα-helixtrans-62.6-40.517600000112.1A46 E47 V50 S310 M317 K318A46-A314 HydrophobicContact CB-CB 4.15Å; E47-A314 HydrophobicContact CG-CB 4.03Å; V50-A314 HydrophobicContact CG2-CB 3.93Å; S310-A314 PolarHBondContact O-N 3.44Å; A314-M317 WeakPolarHBondContact O-CB 3.37Å; A314-M317 PolarHBondContact O-N 2.88Å; A314-K318 WeakPolarHBondContact O-CG 3.37Å; A314-K318 PolarHBondContact O-N 3.04Å
315T98.7Very high98.6Very high71 Ų7137.7 Ų37.744%0.43621%0.211SC..Hα-helixtrans-62.5-45.5175.3-57.40000111.6P311 K312 I313 M317 K318 S319P311-T315 PolarHBondContact O-N 3.43Å; P311-T315 PolarHBondContact O-OG1 3.11Å; K312-T315 PolarHBondContact O-N 3.02Å; I313-T315 VanDerWaalsContact C-N 3.35Å; I313-T315 PolarHBondContact O-N 2.95Å; T315-M317 VanDerWaalsContact C-N 3.34Å; T315-M317 PolarHBondContact O-N 3.19Å; T315-K318 PolarHBondContact O-N 3.49Å; T315-S319 PolarHBondContact O-N 2.81Å; T315-S319 VanDerWaalsContact O-N 3.12Å; T315-S319 PolarHBondContact O-OG 2.61Å
316L98.8Very high98.6Very high3 Ų341.5 Ų41.52%0.01623%0.225CC..Hα-helixtrans-62.3-42.2176.3174.956.4000111.5K312 I313 K318 S319 V320 V407 Q434 I457 V489K312-L316 WeakPolarHBondContact O-CB 3.4Å; K312-L316 PolarHBondContact O-N 3.41Å; I313-L316 PolarHBondContact O-N 3.4Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 2.93Å; L316-S319 WeakPolarHBondContact O-CB 3.46Å; L316-S319 PolarHBondContact O-N 3.17Å; L316-V320 HydrophobicContact CD1-CG2 4.01Å; L316-V320 HydrophobicContact CG-CG2 4.46Å; L316-V320 WeakPolarHBondContact O-CG2 3.35Å; L316-V320 PolarHBondContact O-N 2.63Å; L316-V407 HydrophobicContact CD1-CG2 3.8Å; L316-V407 HydrophobicContact CD2-CG1 4.14Å; L316-Q434 HydrophobicContact CD1-CB 3.94Å; L316-Q434 HydrophobicContact CD1-CG 3.99Å; L316-Q434 HydrophobicContact CD2-CG 4.37Å; L316-I457 HydrophobicContact CB-CD1 4.25Å; L316-I457 HydrophobicContact CD2-CD1 3.76Å; L316-V489 HydrophobicContact CB-CG2 4.32Å; L316-V489 HydrophobicContact CD2-CG1 4.45Å; L316-V489 HydrophobicContact CD2-CG2 3.98Å; L316-V489 HydrophobicContact CG-CG1 4.05Å; L316-V489 HydrophobicContact CG-CG2 3.99Å
317M98.8Very high98.5Very high0 Ų050 Ų500%026%0.262CS..Hα-helixtrans-55.9-45.6174.8-177.3-164.8-64.300112.2A46 I49 V50 I313 A314 T315 V320 S321 T488 V489 G492 A493 L496A46-M317 HydrophobicContact CB-SD 3.71Å; I49-M317 HydrophobicContact CB-CE 4.12Å; I49-M317 HydrophobicContact CB-SD 4.16Å; I49-M317 HydrophobicContact CD1-SD 4.17Å; I49-M317 HydrophobicContact CG2-CE 3.65Å; I49-M317 HydrophobicContact CG2-SD 4.03Å; V50-M317 HydrophobicContact CG2-CE 3.53Å; I313-M317 WeakPolarHBondContact O-CB 3.13Å; I313-M317 PolarHBondContact O-N 2.91Å; A314-M317 WeakPolarHBondContact O-CB 3.37Å; A314-M317 PolarHBondContact O-N 2.88Å; T315-M317 VanDerWaalsContact C-N 3.34Å; T315-M317 PolarHBondContact O-N 3.19Å; M317-V320 PolarHBondContact O-N 3.2Å; M317-S321 WeakPolarHBondContact O-CB 3.21Å; M317-S321 PolarHBondContact O-N 3.32Å; M317-T488 HydrophobicContact CE-CG2 3.8Å; M317-T488 WeakPolarHBondContact CE-O 3.35Å; M317-V489 HydrophobicContact CB-CG2 4.46Å; M317-G492 VanDerWaalsContact SD-CA 3.53Å; M317-A493 HydrophobicContact CG-CB 4.49Å; M317-L496 HydrophobicContact CG-CD1 4.16Å; M317-L496 HydrophobicContact SD-CD1 4.14Å
318K98.8Very high98.5Very high86 Ų8649 Ų4937%0.37426%0.258SS..Hα-helixtrans-62-42.6175.9-68.9177.4-169.4178.40112.1A46 E47 A314 T315 L316 S321 T322A46-K318 HydrophobicContact CB-CD 4.19Å; A46-K318 HydrophobicContact CB-CG 3.73Å; E47-K318 IonicContact OE1-NZ 3.85Å; E47-K318 PolarHBondContact OE1-NZ 2.86Å; E47-K318 WeakPolarHBondContact OE2-CE 3.27Å; E47-K318 IonicContact OE2-NZ 2.88Å; E47-K318 PolarHBondContact OE2-NZ 3.05Å; A314-K318 WeakPolarHBondContact O-CG 3.37Å; A314-K318 PolarHBondContact O-N 3.04Å; T315-K318 PolarHBondContact O-N 3.49Å; L316-K318 VanDerWaalsContact C-N 3.34Å; L316-K318 PolarHBondContact O-N 2.93Å; K318-S321 PolarHBondContact O-N 3.35Å; K318-T322 WeakPolarHBondContact O-CB 3.42Å; K318-T322 PolarHBondContact O-N 3.17Å; K318-T322 PolarHBondContact O-OG1 3.17Å
319S98.5Very high98.6Very high49 Ų4948 Ų4834%0.34325%0.245SC..Hα-helixtrans-61.3-47.3176.7-61.20000111.9T315 L316 T322 S323T315-S319 PolarHBondContact O-N 2.81Å; T315-S319 VanDerWaalsContact O-N 3.12Å; T315-S319 PolarHBondContact O-OG 2.61Å; L316-S319 WeakPolarHBondContact O-CB 3.46Å; L316-S319 PolarHBondContact O-N 3.17Å; S319-T322 WeakPolarHBondContact O-CB 3.25Å; S319-T322 PolarHBondContact O-N 2.95Å; S319-S323 PolarHBondContact O-N 3.43Å
320V98.8Very high98.6Very high3 Ų346.1 Ų46.12%0.01824%0.237CC..Hα-helixtrans-60.2-47.1176.7168.60000110.7L316 M317 T322 S323 L324 V330 T405 V489 A493L316-V320 HydrophobicContact CD1-CG2 4.01Å; L316-V320 HydrophobicContact CG-CG2 4.46Å; L316-V320 WeakPolarHBondContact O-CG2 3.35Å; L316-V320 PolarHBondContact O-N 2.63Å; M317-V320 PolarHBondContact O-N 3.2Å; V320-T322 VanDerWaalsContact C-N 3.29Å; V320-T322 PolarHBondContact O-N 3.47Å; V320-S323 PolarHBondContact O-N 2.7Å; V320-L324 HydrophobicContact CG1-CD1 4.21Å; V320-L324 WeakPolarHBondContact O-CG 3.19Å; V320-L324 PolarHBondContact O-N 3.38Å; V320-L324 VanDerWaalsContact O-N 3.12Å; V320-V330 HydrophobicContact CG1-CG1 4.22Å; V320-V330 HydrophobicContact CG1-CG2 3.87Å; V320-V330 HydrophobicContact CG2-CG1 4.09Å; V320-T405 HydrophobicContact CG2-CG2 4.21Å; V320-V489 HydrophobicContact CB-CG1 4.14Å; V320-V489 HydrophobicContact CG1-CG1 4.3Å; V320-V489 HydrophobicContact CG2-CG1 3.74Å; V320-A493 HydrophobicContact CB-CB 4.12Å; V320-A493 HydrophobicContact CG1-CB 3.53Å
321S98.8Very high98.6Very high10 Ų1045 Ų457%0.0723%0.227CC..Hα-helixtrans-58-41.5175.7-1700000112.2M317 K318 L324 E325 A493 L496M317-S321 WeakPolarHBondContact O-CB 3.21Å; M317-S321 PolarHBondContact O-N 3.32Å; K318-S321 PolarHBondContact O-N 3.35Å; S321-L324 PolarHBondContact O-N 2.92Å; S321-E325 WeakPolarHBondContact O-CB 3.48Å; S321-E325 PolarHBondContact O-N 2.96Å; S321-A493 PolarHBondContact OG-O 3.42Å; S321-L496 WeakPolarHBondContact OG-CB 3.28Å
322T98.7Very high98.6Very high54 Ų5441 Ų4133%0.33120%0.201SC..Hα-helixtrans-65.1-41.7180-56.90000111.7K318 S319 V320 K326K318-T322 WeakPolarHBondContact O-CB 3.42Å; K318-T322 PolarHBondContact O-N 3.17Å; K318-T322 PolarHBondContact O-OG1 3.17Å; S319-T322 WeakPolarHBondContact O-CB 3.25Å; S319-T322 PolarHBondContact O-N 2.95Å; V320-T322 VanDerWaalsContact C-N 3.29Å; V320-T322 PolarHBondContact O-N 3.47Å; T322-K326 HydrophobicContact CG2-CD 4.28Å; T322-K326 WeakPolarHBondContact O-CG 3.42Å; T322-K326 PolarHBondContact O-N 3.39Å; T322-K326 VanDerWaalsContact O-N 3.14Å
323S98.6Very high98.6Very high3 Ų337.7 Ų37.72%0.02119%0.186CC..Hα-helixtrans-61.4-47.8175-78.40000111.1S319 V320 E325 K326 K327 G328 I403 T405S319-S323 PolarHBondContact O-N 3.43Å; V320-S323 PolarHBondContact O-N 2.7Å; S323-E325 PolarHBondContact O-N 3.43Å; S323-K326 CarbonylContact O-C 3.54Å; S323-K326 PolarHBondContact O-N 2.94Å; S323-K327 PolarHBondContact O-N 3.25Å; S323-G328 WeakPolarHBondContact O-CA 3.36Å; S323-G328 PolarHBondContact O-N 2.92Å; S323-I403 VanDerWaalsContact CB-O 3.29Å; S323-I403 WeakPolarHBondContact CB-O 3.4Å; S323-I403 PolarHBondContact OG-O 2.73Å; S323-T405 PolarHBondContact OG-N 3.4Å; S323-T405 PolarHBondContact OG-OG1 2.9Å
324L98.6Very high98.6Very high15 Ų1537.7 Ų37.78%0.07919%0.186CC..Hα-helixtrans-64.5-39.4179.8-66.8175.3000112.6V320 S321 K326 K327 V330 D359 V360 A493 L497V320-L324 HydrophobicContact CG1-CD1 4.21Å; V320-L324 WeakPolarHBondContact O-CG 3.19Å; V320-L324 PolarHBondContact O-N 3.38Å; V320-L324 VanDerWaalsContact O-N 3.12Å; S321-L324 PolarHBondContact O-N 2.92Å; L324-K326 VanDerWaalsContact C-N 3.29Å; L324-K326 PolarHBondContact O-N 2.95Å; L324-K327 PolarHBondContact O-N 2.94Å; L324-V330 HydrophobicContact CD2-CG2 4.01Å; L324-V330 HydrophobicContact CG-CG2 4.04Å; L324-D359 HydrophobicContact CD2-CB 3.99Å; L324-V360 HydrophobicContact CD1-CG2 4.44Å; L324-V360 HydrophobicContact CD2-CG2 4.29Å; L324-A493 HydrophobicContact CD1-CB 4.39Å; L324-L497 HydrophobicContact CB-CD1 3.66Å; L324-L497 HydrophobicContact CD1-CD1 4.18Å
325E98.2Very high98.6Very high133 Ų13337.9 Ų37.962%0.62119%0.187SC*.Hα-helixtrans-58.4-42.4174.2-171.5178.9-155.500111.5S321 S323 K327 L497S321-E325 WeakPolarHBondContact O-CB 3.48Å; S321-E325 PolarHBondContact O-N 2.96Å; S323-E325 PolarHBondContact O-N 3.43Å; E325-K327 PolarHBondContact O-N 3.19Å; E325-L497 HydrophobicContact CB-CD2 3.77Å; E325-L497 HydrophobicContact CG-CD2 4.28Å
326K98.1Very high98.5Very high113 Ų11338.9 Ų38.949%0.49119%0.187SC..THydrogen-bonded Turntrans-77.56177.2-68.5178.2-178.2178.80114.2T322 S323 L324 G328 I403T322-K326 HydrophobicContact CG2-CD 4.28Å; T322-K326 WeakPolarHBondContact O-CG 3.42Å; T322-K326 PolarHBondContact O-N 3.39Å; T322-K326 VanDerWaalsContact O-N 3.14Å; S323-K326 CarbonylContact O-C 3.54Å; S323-K326 PolarHBondContact O-N 2.94Å; L324-K326 VanDerWaalsContact C-N 3.29Å; L324-K326 PolarHBondContact O-N 2.95Å; K326-G328 PolarHBondContact O-N 2.79Å; K326-I403 HydrophobicContact CD-CG2 4.41Å
327K97.9Very high98.5Very high180 Ų18039 Ų3978%0.78319%0.188SC*.THydrogen-bonded Turntrans61.825.9-175.3-49.7-58.1-169.6-178.20113.7S323 L324 E325S323-K327 PolarHBondContact O-N 3.25Å; L324-K327 PolarHBondContact O-N 2.94Å; E325-K327 PolarHBondContact O-N 3.19Å
328G98.3Very high98.5Very high1 Ų139.3 Ų39.31%0.0119%0.189CC..  trans-84.8175.4165.400000111.5S323 K326S323-G328 WeakPolarHBondContact O-CA 3.36Å; S323-G328 PolarHBondContact O-N 2.92Å; K326-G328 PolarHBondContact O-N 2.79Å
329H98.6Very high98.5Very high53 Ų5335.2 Ų35.225%0.24517%0.172CC..  trans-111.4162.3-177.3-45.996000111.7Y331 R358 D404 T405H329-Y331 HydrophobicContact CB-CD2 4.5Å; H329-Y331 HydrophobicContact CB-CE1 4.46Å; H329-Y331 HydrophobicContact CB-CE2 3.68Å; H329-R358 PolarHBondContact CD2-O 2.89Å; H329-R358 VanDerWaalsContact CD2-O 3.25Å; H329-D404 WeakPolarHBondContact CB-OD1 3.48Å; H329-D404 IonicContact CG-OD1 3.62Å; H329-D404 PolarHBondContact N-OD1 3.16Å; H329-D404 IonicContact ND1-OD1 3.05Å; H329-D404 PolarHBondContact ND1-OD1 3Å; H329-D404 CarbonylContact O-C 3.52Å; H329-D404 WeakPolarHBondContact O-CA 3.28Å; H329-T405 PolarHBondContact O-N 3.38Å
330V98.9Very high98.5Very high1 Ų133 Ų331%0.00616%0.156CC..EExtended strand (participates in β ladder)trans-123.6119.9179.6-1780000109.3V320 L324 L332 D359 V360 R361 T405V320-V330 HydrophobicContact CG1-CG1 4.22Å; V320-V330 HydrophobicContact CG1-CG2 3.87Å; V320-V330 HydrophobicContact CG2-CG1 4.09Å; L324-V330 HydrophobicContact CD2-CG2 4.01Å; L324-V330 HydrophobicContact CG-CG2 4.04Å; V330-L332 HydrophobicContact CG1-CD2 3.99Å; V330-D359 PolarHBondContact N-O 3.18Å; V330-V360 HydrophobicContact CB-CG1 4.29Å; V330-V360 HydrophobicContact CB-CG2 4.2Å; V330-V360 HydrophobicContact CG1-CG1 4.34Å; V330-V360 CarbonylContact O-C 3.59Å; V330-V360 WeakPolarHBondContact O-CA 3.04Å; V330-R361 PolarHBondContact O-N 3.42Å; V330-T405 CarbonylContact C-O 3.46Å; V330-T405 WeakPolarHBondContact CA-O 3.34Å
331Y98.9Very high98.5Very high12 Ų1233 Ų335%0.04716%0.156CC..EExtended strand (participates in β ladder)trans-111.1117.3-179.4-58.3-73.2000110.7H329 R361 F363 F392 I396 L400 D404 T405 V406 V407H329-Y331 HydrophobicContact CB-CD2 4.5Å; H329-Y331 HydrophobicContact CB-CE1 4.46Å; H329-Y331 HydrophobicContact CB-CE2 3.68Å; Y331-R361 CarbonylContact C-O 3.52Å; Y331-R361 WeakPolarHBondContact CA-O 3.47Å; Y331-R361 HydrophobicContact CD1-CB 4.2Å; Y331-R361 HydrophobicContact CE1-CB 4.48Å; Y331-F363 AromaticContact CD1-CE2 3.81Å; Y331-F363 HydrophobicContact CD1-CE2 3.81Å; Y331-F363 HydrophobicContact CE1-CE2 4.43Å; Y331-F392 HydrophobicContact CG-CE2 4.43Å; Y331-I396 HydrophobicContact CD1-CG2 3.64Å; Y331-I396 HydrophobicContact CD2-CG2 4.16Å; Y331-I396 HydrophobicContact CE1-CB 4.49Å; Y331-I396 HydrophobicContact CE1-CD1 4.1Å; Y331-I396 HydrophobicContact CE1-CG1 4.37Å; Y331-I396 HydrophobicContact CE1-CG2 3.35Å; Y331-I396 HydrophobicContact CE2-CG2 3.92Å; Y331-I396 HydrophobicContact CG-CG2 4.01Å; Y331-I396 VanDerWaalsContact CZ-CG2 3.48Å; Y331-L400 HydrophobicContact CD2-CD2 3.4Å; Y331-L400 HydrophobicContact CE2-CD2 3.15Å; Y331-L400 HydrophobicContact CG-CD2 4.45Å; Y331-D404 HydrophobicContact CE2-CB 4.24Å; Y331-T405 PolarHBondContact N-O 3.16Å; Y331-V406 HydrophobicContact CD2-CG2 4.23Å; Y331-V406 WeakPolarHBondContact O-CA 3.44Å; Y331-V407 PolarHBondContact O-N 3.02Å
332L98.9Very high98.5Very high4 Ų432.5 Ų32.52%0.02115%0.152CC..EExtended strand (participates in β ladder)trans-98.699.8179.2-51178.3000108.5V330 A342 D345 V360 R361 G362 F363 V407 I409 L486V330-L332 HydrophobicContact CG1-CD2 3.99Å; L332-A342 HydrophobicContact CB-CB 3.77Å; L332-A342 WeakPolarHBondContact O-CB 3.45Å; L332-D345 HydrophobicContact CD1-CB 4.2Å; L332-V360 HydrophobicContact CD1-CG1 4Å; L332-V360 HydrophobicContact CG-CG1 4.29Å; L332-R361 PolarHBondContact N-O 3.3Å; L332-G362 CarbonylContact O-C 3.6Å; L332-G362 VanDerWaalsContact O-CA 3.27Å; L332-G362 WeakPolarHBondContact O-CA 3.3Å; L332-F363 PolarHBondContact O-N 3.07Å; L332-V407 HydrophobicContact CD2-CB 3.91Å; L332-V407 HydrophobicContact CD2-CG2 3.95Å; L332-I409 HydrophobicContact CB-CD1 4.39Å; L332-L486 HydrophobicContact CD1-CD1 4.31Å; L332-L486 HydrophobicContact CD1-CD2 4.39Å; L332-L486 HydrophobicContact CD2-CD2 4.17Å
333V98.9Very high98.5Very high0 Ų030.3 Ų30.30%014%0.138CC..EExtended strand (participates in β ladder)trans-102.999.9-171.9-175.10000109.4W335 I365 F392 V406 V407 F408 I409V333-W335 HydrophobicContact CG1-CH2 4.24Å; V333-W335 HydrophobicContact CG1-CZ3 3.86Å; V333-I365 HydrophobicContact CG1-CD1 3.71Å; V333-I365 HydrophobicContact CG1-CG1 3.44Å; V333-I365 VanDerWaalsContact CG1-CG1 3.44Å; V333-F392 HydrophobicContact CG2-CD2 4.07Å; V333-F392 HydrophobicContact CG2-CE1 4.21Å; V333-F392 HydrophobicContact CG2-CE2 3.6Å; V333-F392 HydrophobicContact CG2-CZ 3.68Å; V333-V406 HydrophobicContact CG2-CG1 3.8Å; V333-V407 PolarHBondContact N-O 2.9Å; V333-F408 HydrophobicContact CB-CD1 4.15Å; V333-F408 HydrophobicContact CB-CE1 4.44Å; V333-F408 HydrophobicContact CG1-CD1 4.31Å; V333-F408 CarbonylContact O-C 3.58Å; V333-F408 WeakPolarHBondContact O-CA 3.33Å; V333-I409 PolarHBondContact O-N 3.4Å
334G98.8Very high98.5Very high0 Ų030.8 Ų30.80%014%0.14CC..EExtended strand (participates in β ladder)trans-108.5141-175.800000113.6G339 F363 L364 I365 I409G334-G339 VanDerWaalsContact O-CA 3.3Å; G334-G339 WeakPolarHBondContact O-CA 3.48Å; G334-F363 PolarHBondContact N-O 2.9Å; G334-L364 WeakPolarHBondContact O-CA 3.2Å; G334-I365 PolarHBondContact O-N 3.22Å; G334-I409 CarbonylContact C-O 3.57Å; G334-I409 WeakPolarHBondContact CA-O 3.44Å
335W98.6Very high98.5Very high4 Ų430.2 Ų30.22%0.01514%0.137CC..EExtended strand (participates in β ladder)trans-84.9138174.6-88.6-108000111.5V333 T337 L338 I365 F408 I409 F410 D414 E418 V419 I422V333-W335 HydrophobicContact CG1-CH2 4.24Å; V333-W335 HydrophobicContact CG1-CZ3 3.86Å; W335-T337 PolarHBondContact O-N 2.85Å; W335-L338 VanDerWaalsContact O-CB 3.29Å; W335-L338 WeakPolarHBondContact O-CB 3.46Å; W335-L338 PolarHBondContact O-N 3.31Å; W335-I365 HydrophobicContact CD2-CB 3.78Å; W335-I365 HydrophobicContact CD2-CG1 4.18Å; W335-I365 HydrophobicContact CD2-CG2 4.08Å; W335-I365 VanDerWaalsContact CE2-CG2 3.45Å; W335-I365 HydrophobicContact CE3-CB 4.23Å; W335-I365 HydrophobicContact CE3-CG1 4.14Å; W335-I365 HydrophobicContact CG-CB 4.07Å; W335-I365 HydrophobicContact CG-CG2 4.39Å; W335-I365 HydrophobicContact CH2-CG1 4.07Å; W335-I365 HydrophobicContact CZ2-CB 4.11Å; W335-I365 HydrophobicContact CZ2-CG1 4.12Å; W335-I365 HydrophobicContact CZ2-CG2 3.72Å; W335-I365 HydrophobicContact CZ3-CG1 4.08Å; W335-F408 HydrophobicContact CH2-CD1 4.08Å; W335-F408 AromaticContact CZ3-CD1 3.96Å; W335-F408 HydrophobicContact CZ3-CD1 3.96Å; W335-I409 PolarHBondContact N-O 3.21Å; W335-F410 HydrophobicContact CB-CB 4.27Å; W335-F410 HydrophobicContact CD2-CB 4.21Å; W335-F410 HydrophobicContact CE3-CB 4.05Å; W335-F410 HydrophobicContact CG-CB 4.31Å; W335-D414 HydrophobicContact CG-CB 4.48Å; W335-E418 PolarHBondContact NE1-OE2 3.27Å; W335-V419 HydrophobicContact CD2-CG2 4.04Å; W335-V419 HydrophobicContact CE3-CG2 4.48Å; W335-V419 HydrophobicContact CH2-CB 4.41Å; W335-V419 HydrophobicContact CH2-CG1 4.46Å; W335-V419 HydrophobicContact CH2-CG2 4.08Å; W335-V419 HydrophobicContact CZ2-CB 4.11Å; W335-V419 HydrophobicContact CZ2-CG2 3.57Å; W335-I422 HydrophobicContact CH2-CD1 4.35Å; W335-I422 HydrophobicContact CZ2-CD1 4Å
336Q96.6Very high98.5Very high93 Ų9323.9 Ų23.944%0.43511%0.108SC..THydrogen-bonded Turntrans52.9-131.1176.7-49.1-176.720.200111.9L338 G339 L364 I365 D414Q336-L338 PolarHBondContact O-N 3.47Å; Q336-G339 PolarHBondContact O-N 2.93Å; Q336-L364 WeakPolarHBondContact O-CG 3.44Å; Q336-I365 PolarHBondContact N-O 2.94Å; Q336-D414 PolarHBondContact NE2-OD1 3.37Å
337T98Very high98.5Very high5 Ų518.8 Ų18.83%0.0319%0.086CC..Hα-helixtrans-67-19.7179.859.90000113.4V119 W335 G339 I340 I341 E479V119-T337 HydrophobicContact CG1-CG2 4.48Å; W335-T337 PolarHBondContact O-N 2.85Å; T337-G339 PolarHBondContact O-N 3.01Å; T337-I340 HydrophobicContact CG2-CD1 4.35Å; T337-I340 WeakPolarHBondContact O-CB 3.44Å; T337-I340 PolarHBondContact O-N 3.07Å; T337-I340 VanDerWaalsContact O-N 3.1Å; T337-I341 PolarHBondContact O-N 3.27Å; T337-E479 WeakPolarHBondContact CB-OE1 3.36Å; T337-E479 PolarHBondContact OG1-OE1 2.91Å
338L98.8Very high98.5Very high7 Ų710.6 Ų10.64%0.0375%0.051CC..Hα-helixtrans-68.1-26.6172.1-50.9-178.4000111.3W335 Q336 I340 I341 A342 I409 T411 R478 E479W335-L338 VanDerWaalsContact O-CB 3.29Å; W335-L338 WeakPolarHBondContact O-CB 3.46Å; W335-L338 PolarHBondContact O-N 3.31Å; Q336-L338 PolarHBondContact O-N 3.47Å; L338-I340 VanDerWaalsContact C-N 3.34Å; L338-I341 PolarHBondContact O-N 3.39Å; L338-A342 PolarHBondContact O-N 3.24Å; L338-I409 HydrophobicContact CB-CG2 3.92Å; L338-I409 HydrophobicContact CD1-CG2 3.85Å; L338-I409 HydrophobicContact CG-CG2 4.43Å; L338-T411 HydrophobicContact CD1-CG2 3.91Å; L338-R478 HydrophobicContact CD2-CB 4.46Å; L338-E479 HydrophobicContact CD2-CB 4.45Å; L338-E479 HydrophobicContact CD2-CG 3.9Å
339G98.6Very high98.5Very high0 Ų010.6 Ų10.60%05%0.05CC..Hα-helixtrans-64.4-35.716900000113.2G334 Q336 T337 A342 I343 F363G334-G339 VanDerWaalsContact O-CA 3.3Å; G334-G339 WeakPolarHBondContact O-CA 3.48Å; Q336-G339 PolarHBondContact O-N 2.93Å; T337-G339 PolarHBondContact O-N 3.01Å; G339-A342 WeakPolarHBondContact O-CB 3.48Å; G339-A342 PolarHBondContact O-N 2.98Å; G339-I343 WeakPolarHBondContact O-CD1 3.37Å; G339-I343 VanDerWaalsContact O-CG1 3.3Å; G339-I343 WeakPolarHBondContact O-CG1 3.43Å; G339-I343 PolarHBondContact O-N 2.96Å; G339-F363 WeakPolarHBondContact CA-O 3.32Å
340I98.6Very high98.4Very high2 Ų29.2 Ų9.21%0.015%0.045CC..Hα-helixtrans-63.5-45.8172.6-56173.4000109.7F115 L116 V119 T337 L338 A342 I343 M344 L364 M371F115-I340 HydrophobicContact CD1-CG2 3.86Å; F115-I340 HydrophobicContact CE1-CD1 3.78Å; F115-I340 HydrophobicContact CE1-CG1 4.02Å; F115-I340 HydrophobicContact CE1-CG2 3.72Å; F115-I340 HydrophobicContact CZ-CD1 4.44Å; L116-I340 HydrophobicContact CB-CG2 4.41Å; L116-I340 HydrophobicContact CD1-CB 4.31Å; L116-I340 HydrophobicContact CD1-CD1 3.98Å; L116-I340 HydrophobicContact CD1-CG2 4.18Å; V119-I340 HydrophobicContact CG1-CD1 4.29Å; T337-I340 HydrophobicContact CG2-CD1 4.35Å; T337-I340 WeakPolarHBondContact O-CB 3.44Å; T337-I340 PolarHBondContact O-N 3.07Å; T337-I340 VanDerWaalsContact O-N 3.1Å; L338-I340 VanDerWaalsContact C-N 3.34Å; I340-A342 VanDerWaalsContact C-N 3.28Å; I340-A342 PolarHBondContact O-N 3.18Å; I340-I343 PolarHBondContact O-N 3.14Å; I340-M344 HydrophobicContact CG2-CG 4.34Å; I340-M344 HydrophobicContact CG2-SD 3.94Å; I340-M344 WeakPolarHBondContact O-CG 3.34Å; I340-M344 PolarHBondContact O-N 3.48Å; I340-L364 HydrophobicContact CG1-CD1 3.73Å; I340-M371 HydrophobicContact CD1-CE 4.3Å; I340-M371 HydrophobicContact CD1-SD 3.92Å; I340-M371 HydrophobicContact CG1-SD 4.44Å
341I98.8Very high98.1Very high3 Ų39.9 Ų9.92%0.0155%0.048CC..Hα-helixtrans-60.8-39.3177.2-55.7-60.9000111.4L116 T337 L338 M344 D345 E479 T482 K483 L486L116-I341 HydrophobicContact CD2-CD1 3.56Å; T337-I341 PolarHBondContact O-N 3.27Å; L338-I341 PolarHBondContact O-N 3.39Å; I341-M344 HydrophobicContact CD1-SD 4.29Å; I341-M344 PolarHBondContact O-N 3.05Å; I341-D345 PolarHBondContact O-N 2.95Å; I341-D345 VanDerWaalsContact O-N 3.15Å; I341-E479 HydrophobicContact CD1-CB 4.17Å; I341-E479 HydrophobicContact CG1-CB 4.08Å; I341-E479 HydrophobicContact CG1-CG 4.34Å; I341-T482 HydrophobicContact CB-CG2 4.11Å; I341-T482 HydrophobicContact CG2-CG2 3.66Å; I341-K483 HydrophobicContact CG2-CB 3.77Å; I341-L486 HydrophobicContact CG2-CD1 4.37Å
342A98.8Very high98Very high0 Ų09.4 Ų9.40%05%0.046CC..Hα-helixtrans-62.4-45.5175.300000112.4L332 L338 G339 I340 M344 D345 G346 I409 L486L332-A342 HydrophobicContact CB-CB 3.77Å; L332-A342 WeakPolarHBondContact O-CB 3.45Å; L338-A342 PolarHBondContact O-N 3.24Å; G339-A342 WeakPolarHBondContact O-CB 3.48Å; G339-A342 PolarHBondContact O-N 2.98Å; I340-A342 VanDerWaalsContact C-N 3.28Å; I340-A342 PolarHBondContact O-N 3.18Å; A342-M344 VanDerWaalsContact C-N 3.34Å; A342-M344 PolarHBondContact O-N 2.92Å; A342-D345 PolarHBondContact O-N 3.32Å; A342-G346 PolarHBondContact O-N 3.08Å; A342-I409 HydrophobicContact CB-CD1 4.49Å; A342-L486 HydrophobicContact CB-CD1 4.31Å
343I98.7Very high98Very high8 Ų89.2 Ų9.24%0.0415%0.045CC..Hα-helixtrans-60.1-45.5175.4-68.7161000110.6V145 V146 G339 I340 D345 G346 V347 G362 L364 F387V145-I343 VanDerWaalsContact O-CG2 3.32Å; V145-I343 WeakPolarHBondContact O-CG2 3.34Å; V146-I343 HydrophobicContact CB-CG2 4.45Å; V146-I343 HydrophobicContact CG1-CG2 4.14Å; G339-I343 WeakPolarHBondContact O-CD1 3.37Å; G339-I343 VanDerWaalsContact O-CG1 3.3Å; G339-I343 WeakPolarHBondContact O-CG1 3.43Å; G339-I343 PolarHBondContact O-N 2.96Å; I340-I343 PolarHBondContact O-N 3.14Å; I343-D345 VanDerWaalsContact C-N 3.27Å; I343-D345 PolarHBondContact O-N 3.02Å; I343-G346 PolarHBondContact O-N 3.16Å; I343-V347 VanDerWaalsContact O-CG1 3.27Å; I343-V347 WeakPolarHBondContact O-CG1 3.21Å; I343-V347 PolarHBondContact O-N 2.89Å; I343-G362 WeakPolarHBondContact CG1-O 3.42Å; I343-L364 HydrophobicContact CD1-CB 4.12Å; I343-F387 HydrophobicContact CD1-CB 3.89Å; I343-F387 HydrophobicContact CD1-CD2 3.98Å; I343-F387 HydrophobicContact CD1-CG 4.37Å; I343-F387 HydrophobicContact CG1-CB 4.39Å
344M98.6Very high97.9Very high12 Ų129.4 Ų9.46%0.0595%0.047CC..Hα-helixtrans-60.3-33.8-179.5-71.7173.871.200113.4T109 R112 M113 I340 I341 A342 E348T109-M344 HydrophobicContact CG2-CE 4.24Å; R112-M344 HydrophobicContact CB-CE 3.77Å; R112-M344 HydrophobicContact CB-CG 3.73Å; R112-M344 HydrophobicContact CB-SD 4.07Å; R112-M344 HydrophobicContact CG-CG 4.41Å; M113-M344 HydrophobicContact CE-CE 3.43Å; M113-M344 VanDerWaalsContact CE-CE 3.43Å; M113-M344 HydrophobicContact CG-CE 3.83Å; M113-M344 HydrophobicContact SD-CE 3.69Å; I340-M344 HydrophobicContact CG2-CG 4.34Å; I340-M344 HydrophobicContact CG2-SD 3.94Å; I340-M344 WeakPolarHBondContact O-CG 3.34Å; I340-M344 PolarHBondContact O-N 3.48Å; I341-M344 HydrophobicContact CD1-SD 4.29Å; I341-M344 PolarHBondContact O-N 3.05Å; A342-M344 VanDerWaalsContact C-N 3.34Å; A342-M344 PolarHBondContact O-N 2.92Å; M344-E348 VanDerWaalsContact O-CG 3.31Å; M344-E348 WeakPolarHBondContact O-CG 3.31Å
345D98.8Very high97.8Very high3 Ų39.5 Ų9.52%0.0165%0.048CC..Hα-helixtrans-75.7-49.6178.9-174.367000112.5R259 L332 I341 A342 I343 V347 E348 L486 N487 S490R259-D345 IonicContact CZ-OD1 2.63Å; R259-D345 IonicContact NH1-OD1 2.66Å; R259-D345 PolarHBondContact NH1-OD1 3.23Å; L332-D345 HydrophobicContact CD1-CB 4.2Å; I341-D345 PolarHBondContact O-N 2.95Å; I341-D345 VanDerWaalsContact O-N 3.15Å; A342-D345 PolarHBondContact O-N 3.32Å; I343-D345 VanDerWaalsContact C-N 3.27Å; I343-D345 PolarHBondContact O-N 3.02Å; D345-V347 PolarHBondContact O-N 2.97Å; D345-E348 PolarHBondContact O-N 3.42Å; D345-L486 HydrophobicContact CB-CB 3.94Å; D345-L486 HydrophobicContact CB-CD1 4.4Å; D345-N487 VanDerWaalsContact OD1-CA 3.28Å; D345-N487 WeakPolarHBondContact OD1-CA 3.45Å; D345-N487 PolarHBondContact OD1-N 3.45Å; D345-N487 PolarHBondContact OD1-ND2 2.85Å; D345-S490 VanDerWaalsContact CG-OG 3.27Å; D345-S490 PolarHBondContact OD1-OG 3.09Å; D345-S490 WeakPolarHBondContact OD2-CB 3.14Å; D345-S490 PolarHBondContact OD2-OG 3.42Å
346G98.1Very high97.7Very high0 Ų011.7 Ų11.70%06%0.06CC..Hα-helixtrans-61.7-46.1-175.300000113.1A342 I343 E348 C349 V360A342-G346 PolarHBondContact O-N 3.08Å; I343-G346 PolarHBondContact O-N 3.16Å; G346-E348 PolarHBondContact O-N 2.99Å; G346-C349 VanDerWaalsContact O-CB 3.3Å; G346-C349 WeakPolarHBondContact O-CB 3.07Å; G346-C349 PolarHBondContact O-N 3.35Å; G346-V360 CarbonylContact C-O 3.58Å; G346-V360 WeakPolarHBondContact CA-O 3.42Å
347V97.8Very high97.8Very high7 Ų79.4 Ų9.44%0.0425%0.049CC..Hα-helixtrans-60.9-30.2-176.968.20000113.7S148 I343 D345 C349 I350S148-V347 VanDerWaalsContact N-CG2 3.35Å; I343-V347 VanDerWaalsContact O-CG1 3.27Å; I343-V347 WeakPolarHBondContact O-CG1 3.21Å; I343-V347 PolarHBondContact O-N 2.89Å; D345-V347 PolarHBondContact O-N 2.97Å; V347-C349 VanDerWaalsContact C-N 3.29Å; V347-C349 PolarHBondContact O-N 3.19Å; V347-I350 HydrophobicContact CG2-CD1 4.49Å
348E98.1Very high97.8Very high7 Ų714.7 Ų14.73%0.0337%0.068CC..Hα-helixtrans-77.8-15.6-178.9-68.9-80.8156.500112.8T109 R112 R259 M344 D345 G346 I350 H351 T352T109-E348 PolarHBondContact N-OE1 2.83Å; T109-E348 WeakPolarHBondContact OG1-CG 3.46Å; T109-E348 PolarHBondContact OG1-OE1 2.91Å; R112-E348 IonicContact CZ-OE1 2.68Å; R112-E348 IonicContact NH1-OE1 2.98Å; R112-E348 PolarHBondContact NH1-OE1 2.73Å; R259-E348 HydrophobicContact CB-CG 4.2Å; M344-E348 VanDerWaalsContact O-CG 3.31Å; M344-E348 WeakPolarHBondContact O-CG 3.31Å; D345-E348 PolarHBondContact O-N 3.42Å; G346-E348 PolarHBondContact O-N 2.99Å; E348-I350 PolarHBondContact O-N 3.45Å; E348-H351 IonicContact OE1-CE1 3.17Å; E348-H351 IonicContact OE2-CE1 2.83Å; E348-H351 PolarHBondContact OE2-CE1 2.9Å; E348-H351 IonicContact OE2-NE2 2.72Å; E348-H351 PolarHBondContact OE2-NE2 3.22Å; E348-T352 WeakPolarHBondContact O-CB 3.35Å; E348-T352 PolarHBondContact O-N 2.93Å; E348-T352 PolarHBondContact O-OG1 2.85Å
349C98.4Very high97.7Very high1 Ų116.5 Ų16.51%0.0078%0.077CC..Hα-helixtrans-64.8-30.3176.2-63.20000111.8G346 V347 F353 A355 V360G346-C349 VanDerWaalsContact O-CB 3.3Å; G346-C349 WeakPolarHBondContact O-CB 3.07Å; G346-C349 PolarHBondContact O-N 3.35Å; V347-C349 VanDerWaalsContact C-N 3.29Å; V347-C349 PolarHBondContact O-N 3.19Å; C349-F353 HydrophobicContact CB-CD2 4.27Å; C349-F353 PolarHBondContact O-N 2.99Å; C349-A355 HydrophobicContact CB-CB 4.19Å; C349-A355 WeakPolarHBondContact O-CB 3.47Å; C349-V360 HydrophobicContact CB-CB 4.49Å
350I97.1Very high97.7Very high25 Ų2516.9 Ų16.913%0.1288%0.08CC..Hα-helixtrans-57.5-60-176-62.5166.5000110.9V347 E348 G354 A355 F357 R509V347-I350 HydrophobicContact CG2-CD1 4.49Å; E348-I350 PolarHBondContact O-N 3.45Å; I350-G354 CarbonylContact O-C 3.58Å; I350-G354 VanDerWaalsContact O-CA 3.25Å; I350-G354 WeakPolarHBondContact O-CA 3.48Å; I350-G354 PolarHBondContact O-N 3.44Å; I350-G354 VanDerWaalsContact O-N 3.09Å; I350-A355 PolarHBondContact O-N 3.07Å; I350-F357 HydrophobicContact CD1-CB 3.72Å; I350-F357 HydrophobicContact CG1-CB 4.36Å; I350-R509 VanDerWaalsContact O-CD 3.31Å; I350-R509 WeakPolarHBondContact O-CD 3.5Å; I350-R509 PolarHBondContact O-NE 3.1Å
351H92.9Very high97.7Very high15 Ų1517.8 Ų17.87%0.0698%0.083CC..Hα-helixtrans-81.8-30.6-178.169.2-99.5000112.7E150 E348 L508 R509 L515E150-H351 IonicContact OE1-CE1 3.89Å; E150-H351 IonicContact OE1-ND1 2.83Å; E150-H351 PolarHBondContact OE1-ND1 3.49Å; E348-H351 IonicContact OE1-CE1 3.17Å; E348-H351 IonicContact OE2-CE1 2.83Å; E348-H351 PolarHBondContact OE2-CE1 2.9Å; E348-H351 IonicContact OE2-NE2 2.72Å; E348-H351 PolarHBondContact OE2-NE2 3.22Å; H351-L508 WeakPolarHBondContact O-CA 3.31Å; H351-L508 WeakPolarHBondContact O-CD1 3.43Å; H351-R509 HydrophobicContact CB-CB 4.34Å; H351-R509 PolarHBondContact O-N 2.83Å; H351-L515 HydrophobicContact CB-CD1 4.36Å
352T96.8Very high97.7Very high2 Ų218 Ų181%0.0129%0.086CC..Hα-helixtrans-69-38.7-177.1-57.50000112.4L254 E348 M505L254-T352 HydrophobicContact CD2-CG2 4.05Å; E348-T352 WeakPolarHBondContact O-CB 3.35Å; E348-T352 PolarHBondContact O-N 2.93Å; E348-T352 PolarHBondContact O-OG1 2.85Å; T352-M505 HydrophobicContact CG2-CE 3.87Å; T352-M505 HydrophobicContact CG2-CG 4.15Å; T352-M505 HydrophobicContact CG2-SD 3.99Å
353F98.1Very high97.7Very high0 Ų018 Ų180%09%0.086CC..Hα-helixtrans-126.913.2-171.4-53.3-65.5000113.4L254 C349 A355 T491 H494 K499 I500 D507L254-F353 HydrophobicContact CD2-CE1 3.68Å; L254-F353 HydrophobicContact CD2-CZ 3.94Å; C349-F353 HydrophobicContact CB-CD2 4.27Å; C349-F353 PolarHBondContact O-N 2.99Å; F353-A355 PolarHBondContact O-N 3.22Å; F353-A355 VanDerWaalsContact O-N 3.12Å; F353-T491 HydrophobicContact CZ-CG2 4.07Å; F353-H494 HydrophobicContact CB-CB 3.98Å; F353-H494 VanDerWaalsContact CB-CD2 3.5Å; F353-H494 WeakPolarHBondContact CB-CD2 3.27Å; F353-H494 HydrophobicContact CD1-CB 3.54Å; F353-H494 HydrophobicContact CD2-CB 3.75Å; F353-H494 AromaticContact CD2-CD2 3.9Å; F353-H494 AromaticContact CD2-CG 3.48Å; F353-H494 VanDerWaalsContact CD2-CG 3.48Å; F353-H494 AromaticContact CD2-ND1 3.58Å; F353-H494 HydrophobicContact CE1-CB 3.89Å; F353-H494 HydrophobicContact CE2-CB 4.1Å; F353-H494 AromaticContact CE2-ND1 3.94Å; F353-H494 HydrophobicContact CG-CB 3.48Å; F353-H494 VanDerWaalsContact CG-CB 3.48Å; F353-H494 AromaticContact CG-CD2 3.8Å; F353-H494 AromaticContact CG-CG 3.54Å; F353-H494 HydrophobicContact CZ-CB 4.18Å; F353-K499 HydrophobicContact CB-CD 3.91Å; F353-K499 HydrophobicContact CD1-CB 4.47Å; F353-K499 VanDerWaalsContact O-CD 3.25Å; F353-K499 WeakPolarHBondContact O-CD 3.48Å; F353-K499 PolarHBondContact O-NZ 2.83Å; F353-I500 HydrophobicContact CD1-CG2 4.37Å; F353-I500 HydrophobicContact CE1-CG2 4.11Å; F353-D507 CarbonylContact C-O 3.6Å; F353-D507 VanDerWaalsContact C-O 3.3Å
354G96.6Very high97.7Very high4 Ų417.6 Ų17.64%0.0418%0.084CC..  trans65.916.7-178.700000113.5I350 D507 R509I350-G354 CarbonylContact O-C 3.58Å; I350-G354 VanDerWaalsContact O-CA 3.25Å; I350-G354 WeakPolarHBondContact O-CA 3.48Å; I350-G354 PolarHBondContact O-N 3.44Å; I350-G354 VanDerWaalsContact O-N 3.09Å; G354-D507 VanDerWaalsContact CA-O 3.28Å; G354-D507 WeakPolarHBondContact CA-O 3.47Å; G354-D507 PolarHBondContact N-O 3.44Å; G354-R509 PolarHBondContact O-NH2 3.43Å
355A97.2Very high97.7Very high1 Ų117 Ų171%0.0088%0.081CC..  trans-65.2153.1-177.300000111.6C349 I350 F353 D359 R509C349-A355 HydrophobicContact CB-CB 4.19Å; C349-A355 WeakPolarHBondContact O-CB 3.47Å; I350-A355 PolarHBondContact O-N 3.07Å; F353-A355 PolarHBondContact O-N 3.22Å; F353-A355 VanDerWaalsContact O-N 3.12Å; A355-D359 WeakPolarHBondContact CA-OD2 3.33Å; A355-D359 HydrophobicContact CB-CB 4.17Å; A355-D359 WeakPolarHBondContact CB-OD2 3.47Å; A355-R509 PolarHBondContact O-NE 3Å; A355-R509 PolarHBondContact O-NH2 3.36Å
356D97.4Very high97.5Very high51 Ų5118.1 Ų18.127%0.2739%0.093SC..  trans-73.3152.7164.7-173.8-100.3000109.1R358 D359D356-R358 PolarHBondContact O-N 3.43Å; D356-R358 WeakPolarHBondContact OD1-CB 3.22Å; D356-R358 WeakPolarHBondContact OD1-CD 3.45Å; D356-R358 WeakPolarHBondContact OD1-CG 3.44Å; D356-R358 IonicContact OD1-CZ 3.54Å; D356-R358 PolarHBondContact OD1-N 2.91Å; D356-R358 IonicContact OD1-NH1 3.97Å; D356-R358 PolarHBondContact OD1-NH1 2.94Å; D356-R358 IonicContact OD2-NH1 2.98Å; D356-R358 PolarHBondContact OD2-NH1 3.36Å; D356-D359 PolarHBondContact N-OD2 2.61Å; D356-D359 WeakPolarHBondContact O-CB 3.25Å; D356-D359 PolarHBondContact O-N 3.18Å
357F96.9Very high97.2Very high45 Ų4523.2 Ų23.220%0.19712%0.12CC..THydrogen-bonded Turntrans-64-14.5178.875.6-91.7000113.3I350 R361 P383 Q384I350-F357 HydrophobicContact CD1-CB 3.72Å; I350-F357 HydrophobicContact CG1-CB 4.36Å; F357-R361 VanDerWaalsContact O-CD 3.29Å; F357-R361 WeakPolarHBondContact O-CD 3.33Å; F357-R361 WeakPolarHBondContact O-CG 3.41Å; F357-P383 HydrophobicContact CE2-CB 4.33Å; F357-P383 HydrophobicContact CE2-CG 4.48Å; F357-P383 HydrophobicContact CZ-CG 4.28Å; F357-Q384 HydrophobicContact CD2-CB 3.79Å; F357-Q384 HydrophobicContact CE2-CB 3.93Å; F357-Q384 HydrophobicContact CG-CB 4.12Å; F357-Q384 HydrophobicContact CZ-CB 4.35Å
358R97.9Very high97Very high116 Ų11624.1 Ų24.144%0.43812%0.124SC..THydrogen-bonded Turntrans-83.6-23.3175.3-61.2174.2-170.789.6-5.9113.3H329 D356 V360H329-R358 PolarHBondContact CD2-O 2.89Å; H329-R358 VanDerWaalsContact CD2-O 3.25Å; D356-R358 PolarHBondContact O-N 3.43Å; D356-R358 WeakPolarHBondContact OD1-CB 3.22Å; D356-R358 WeakPolarHBondContact OD1-CD 3.45Å; D356-R358 WeakPolarHBondContact OD1-CG 3.44Å; D356-R358 IonicContact OD1-CZ 3.54Å; D356-R358 PolarHBondContact OD1-N 2.91Å; D356-R358 IonicContact OD1-NH1 3.97Å; D356-R358 PolarHBondContact OD1-NH1 2.94Å; D356-R358 IonicContact OD2-NH1 2.98Å; D356-R358 PolarHBondContact OD2-NH1 3.36Å; R358-V360 PolarHBondContact O-N 2.93Å
359D98.3Very high96.6Very high44 Ų4426.9 Ų26.924%0.23514%0.144CC..THydrogen-bonded Turntrans-62.4-46.2-169.3-68-14.7000112.4L324 V330 A355 D356L324-D359 HydrophobicContact CD2-CB 3.99Å; V330-D359 PolarHBondContact N-O 3.18Å; A355-D359 WeakPolarHBondContact CA-OD2 3.33Å; A355-D359 HydrophobicContact CB-CB 4.17Å; A355-D359 WeakPolarHBondContact CB-OD2 3.47Å; D356-D359 PolarHBondContact N-OD2 2.61Å; D356-D359 WeakPolarHBondContact O-CB 3.25Å; D356-D359 PolarHBondContact O-N 3.18Å
360V98.8Very high96.1Very high8 Ų832.4 Ų32.45%0.04817%0.173CC..EExtended strand (participates in β ladder)trans-136.4119.7178.4-171.30000110.1L324 V330 L332 G346 C349 R358L324-V360 HydrophobicContact CD1-CG2 4.44Å; L324-V360 HydrophobicContact CD2-CG2 4.29Å; V330-V360 HydrophobicContact CB-CG1 4.29Å; V330-V360 HydrophobicContact CB-CG2 4.2Å; V330-V360 HydrophobicContact CG1-CG1 4.34Å; V330-V360 CarbonylContact O-C 3.59Å; V330-V360 WeakPolarHBondContact O-CA 3.04Å; L332-V360 HydrophobicContact CD1-CG1 4Å; L332-V360 HydrophobicContact CG-CG1 4.29Å; G346-V360 CarbonylContact C-O 3.58Å; G346-V360 WeakPolarHBondContact CA-O 3.42Å; C349-V360 HydrophobicContact CB-CB 4.49Å; R358-V360 PolarHBondContact O-N 2.93Å
361R98.6Very high95.9Very high21 Ų2131.8 Ų31.88%0.07917%0.17CC..EExtended strand (participates in β ladder)trans-134.4132.9-175.2-62.2-161.968.81490.8113.3V330 Y331 L332 F357 F363 P383 Q384 T386V330-R361 PolarHBondContact O-N 3.42Å; Y331-R361 CarbonylContact C-O 3.52Å; Y331-R361 WeakPolarHBondContact CA-O 3.47Å; Y331-R361 HydrophobicContact CD1-CB 4.2Å; Y331-R361 HydrophobicContact CE1-CB 4.48Å; L332-R361 PolarHBondContact N-O 3.3Å; F357-R361 VanDerWaalsContact O-CD 3.29Å; F357-R361 WeakPolarHBondContact O-CD 3.33Å; F357-R361 WeakPolarHBondContact O-CG 3.41Å; R361-F363 HydrophobicContact CB-CE2 3.74Å; R361-F363 HydrophobicContact CB-CZ 4.41Å; R361-P383 PolarHBondContact NH1-O 3.22Å; R361-P383 PolarHBondContact NH2-O 3.38Å; R361-Q384 PolarHBondContact NH2-O 3.1Å; R361-T386 VanDerWaalsContact CZ-OG1 3.25Å; R361-T386 PolarHBondContact NH2-O 3.46Å; R361-T386 PolarHBondContact NH2-OG1 2.74Å
362G98.6Very high96Very high7 Ų732 Ų327%0.07217%0.171CC..EExtended strand (participates in β ladder)trans-94.4146.2173.700000113.3L332 I343L332-G362 CarbonylContact O-C 3.6Å; L332-G362 VanDerWaalsContact O-CA 3.27Å; L332-G362 WeakPolarHBondContact O-CA 3.3Å; I343-G362 WeakPolarHBondContact CG1-O 3.42Å
363F98.7Very high95.4Very high0 Ų036 Ų360%019%0.192CC..EExtended strand (participates in β ladder)trans-132144.8176.7-69.7-90.6000111.1Y331 L332 G334 G339 R361 F387 D391 F392 I396Y331-F363 AromaticContact CD1-CE2 3.81Å; Y331-F363 HydrophobicContact CD1-CE2 3.81Å; Y331-F363 HydrophobicContact CE1-CE2 4.43Å; L332-F363 PolarHBondContact O-N 3.07Å; G334-F363 PolarHBondContact N-O 2.9Å; G339-F363 WeakPolarHBondContact CA-O 3.32Å; R361-F363 HydrophobicContact CB-CE2 3.74Å; R361-F363 HydrophobicContact CB-CZ 4.41Å; F363-F387 CarbonylContact C-O 3.46Å; F363-F387 VanDerWaalsContact CA-O 3.28Å; F363-F387 WeakPolarHBondContact CA-O 3.4Å; F363-D391 HydrophobicContact CE1-CB 4.23Å; F363-F392 HydrophobicContact CB-CB 4.35Å; F363-F392 HydrophobicContact CB-CD2 4.46Å; F363-F392 HydrophobicContact CD1-CB 3.61Å; F363-F392 HydrophobicContact CD1-CD2 4.18Å; F363-F392 HydrophobicContact CD1-CG 4.35Å; F363-F392 AromaticContact CD2-CD2 3.82Å; F363-F392 HydrophobicContact CD2-CD2 3.82Å; F363-F392 HydrophobicContact CE1-CB 4.11Å; F363-F392 HydrophobicContact CE1-CD2 4.45Å; F363-F392 HydrophobicContact CE2-CD2 4.15Å; F363-F392 HydrophobicContact CG-CB 3.96Å; F363-F392 AromaticContact CG-CD2 3.87Å; F363-F392 HydrophobicContact CG-CD2 3.87Å; F363-F392 HydrophobicContact CG-CG 4.27Å; F363-F392 HydrophobicContact CZ-CD2 4.46Å; F363-I396 HydrophobicContact CE1-CG1 3.96Å; F363-I396 HydrophobicContact CE2-CG1 4.18Å; F363-I396 HydrophobicContact CZ-CD1 4.07Å; F363-I396 HydrophobicContact CZ-CG1 3.47Å; F363-I396 VanDerWaalsContact CZ-CG1 3.47Å
364L98.4Very high94.9Very high1 Ų141 Ų411%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-107.4114.1176.9-172.3161.9000110G334 Q336 I340 I343 G366 H368 M371 F387 S388 Q389G334-L364 WeakPolarHBondContact O-CA 3.2Å; Q336-L364 WeakPolarHBondContact O-CG 3.44Å; I340-L364 HydrophobicContact CG1-CD1 3.73Å; I343-L364 HydrophobicContact CD1-CB 4.12Å; L364-G366 WeakPolarHBondContact CD2-O 3.22Å; L364-H368 HydrophobicContact CD1-CB 4.29Å; L364-H368 HydrophobicContact CD2-CB 4Å; L364-M371 HydrophobicContact CD1-CE 4.27Å; L364-M371 HydrophobicContact CD1-SD 3.79Å; L364-F387 PolarHBondContact N-O 3.15Å; L364-S388 CarbonylContact O-C 3.5Å; L364-Q389 PolarHBondContact O-N 3.39Å
365I98.1Very high94.2Very high0 Ų044.2 Ų44.20%023%0.228CC..EExtended strand (participates in β ladder)trans-92.8129.9171.8-48.6-55.2000109.5V333 G334 W335 Q336 Q389 I422V333-I365 HydrophobicContact CG1-CD1 3.71Å; V333-I365 HydrophobicContact CG1-CG1 3.44Å; V333-I365 VanDerWaalsContact CG1-CG1 3.44Å; G334-I365 PolarHBondContact O-N 3.22Å; W335-I365 HydrophobicContact CD2-CB 3.78Å; W335-I365 HydrophobicContact CD2-CG1 4.18Å; W335-I365 HydrophobicContact CD2-CG2 4.08Å; W335-I365 VanDerWaalsContact CE2-CG2 3.45Å; W335-I365 HydrophobicContact CE3-CB 4.23Å; W335-I365 HydrophobicContact CE3-CG1 4.14Å; W335-I365 HydrophobicContact CG-CB 4.07Å; W335-I365 HydrophobicContact CG-CG2 4.39Å; W335-I365 HydrophobicContact CH2-CG1 4.07Å; W335-I365 HydrophobicContact CZ2-CB 4.11Å; W335-I365 HydrophobicContact CZ2-CG1 4.12Å; W335-I365 HydrophobicContact CZ2-CG2 3.72Å; W335-I365 HydrophobicContact CZ3-CG1 4.08Å; Q336-I365 PolarHBondContact N-O 2.94Å; I365-Q389 HydrophobicContact CD1-CB 3.95Å; I365-Q389 HydrophobicContact CD1-CG 4.04Å; I365-Q389 HydrophobicContact CG2-CG 4.16Å; I365-I422 HydrophobicContact CG2-CD1 4.24Å
366G93.9Very high93.6Very high25 Ų2547.9 Ų47.926%0.25826%0.259SS..SBendtrans104.6-168.8-176.400000115.4L364 H368 Q389L364-G366 WeakPolarHBondContact CD2-O 3.22Å; G366-H368 PolarHBondContact O-ND1 3.01Å; G366-H368 VanDerWaalsContact O-ND1 3.08Å; G366-Q389 VanDerWaalsContact N-OE1 3.07Å
367D93.1Very high92.9Very high107 Ų10747.2 Ų47.257%0.57225%0.254SS*.  trans-71.8131.5-172-174.417.9000112.3S369 M371D367-S369 WeakPolarHBondContact OD1-CB 3.44Å; D367-S369 PolarHBondContact OD1-N 2.79Å; D367-S369 PolarHBondContact OD1-OG 2.7Å; D367-S369 PolarHBondContact OD2-OG 3.05Å; D367-M371 VanDerWaalsContact O-CE 3.26Å; D367-M371 WeakPolarHBondContact O-CE 3.2Å
368H93.3Very high92.3Very high27 Ų2745.5 Ų45.513%0.12525%0.247CC..  trans-139.520.1178.457.9-80.8000111.5L364 G366 M371 F372 K375 F387L364-H368 HydrophobicContact CD1-CB 4.29Å; L364-H368 HydrophobicContact CD2-CB 4Å; G366-H368 PolarHBondContact O-ND1 3.01Å; G366-H368 VanDerWaalsContact O-ND1 3.08Å; H368-M371 HydrophobicContact CB-CG 4.37Å; H368-M371 HydrophobicContact CB-SD 3.73Å; H368-F372 HydrophobicContact CB-CE2 4.41Å; H368-K375 VanDerWaalsContact CD2-CE 3.44Å; H368-K375 WeakPolarHBondContact CD2-CE 3.48Å; H368-K375 PolarHBondContact CD2-NZ 2.99Å; H368-K375 WeakPolarHBondContact NE2-CE 3.36Å; H368-K375 PolarHBondContact NE2-NZ 3.43Å; H368-F387 AromaticContact CD2-CE2 3.88Å; H368-F387 AromaticContact CD2-CZ 3.93Å
369S89.6Confident91.5Very high65 Ų6543.6 Ų43.646%0.45525%0.248SC..THydrogen-bonded Turntrans-63.1-44.3-179.3550000112.8D367D367-S369 WeakPolarHBondContact OD1-CB 3.44Å; D367-S369 PolarHBondContact OD1-N 2.79Å; D367-S369 PolarHBondContact OD1-OG 2.7Å; D367-S369 PolarHBondContact OD2-OG 3.05Å
370D87.9Confident90.6Very high117 Ų11749.5 Ų49.563%0.62628%0.28SS*.THydrogen-bonded Turntrans-91.47.3-177.1-69.1-25.7000113.9K126K126-D370 IonicContact NZ-OD2 2.83Å; K126-D370 PolarHBondContact NZ-OD2 3.23Å
371M93.6Very high90.1Very high11 Ų1153.1 Ų53.15%0.05430%0.296CS..THydrogen-bonded Turntrans-88-40.1-172.8-66-176.8178.200113.6F115 V119 I340 L364 D367 H368F115-M371 HydrophobicContact CE2-CB 4.16Å; F115-M371 WeakPolarHBondContact CE2-O 3.31Å; F115-M371 HydrophobicContact CZ-CB 3.93Å; V119-M371 HydrophobicContact CG1-CE 4.14Å; V119-M371 HydrophobicContact CG1-CG 3.93Å; V119-M371 HydrophobicContact CG1-SD 4.39Å; V119-M371 HydrophobicContact CG2-CB 3.89Å; V119-M371 HydrophobicContact CG2-CG 3.95Å; I340-M371 HydrophobicContact CD1-CE 4.3Å; I340-M371 HydrophobicContact CD1-SD 3.92Å; I340-M371 HydrophobicContact CG1-SD 4.44Å; L364-M371 HydrophobicContact CD1-CE 4.27Å; L364-M371 HydrophobicContact CD1-SD 3.79Å; D367-M371 VanDerWaalsContact O-CE 3.26Å; D367-M371 WeakPolarHBondContact O-CE 3.2Å; H368-M371 HydrophobicContact CB-CG 4.37Å; H368-M371 HydrophobicContact CB-SD 3.73Å
372F94.2Very high89.7Confident21 Ų2153.6 Ų53.69%0.09231%0.308CS..  trans-100.2136.5-169.2-68.4-87.7000112F115 Y136 D142 V145 H368 K375 L378 F387F115-F372 AromaticContact CE2-CD1 3.95Å; F115-F372 HydrophobicContact CE2-CD1 3.95Å; F115-F372 AromaticContact CE2-CE1 3.98Å; F115-F372 HydrophobicContact CE2-CE1 3.98Å; F115-F372 HydrophobicContact CE2-CG 4.3Å; F115-F372 HydrophobicContact CE2-CZ 4.35Å; F115-F372 HydrophobicContact CZ-CD1 4.23Å; F115-F372 AromaticContact CZ-CE1 3.85Å; F115-F372 HydrophobicContact CZ-CE1 3.85Å; F115-F372 HydrophobicContact CZ-CE2 4.14Å; F115-F372 AromaticContact CZ-CZ 3.8Å; F115-F372 HydrophobicContact CZ-CZ 3.8Å; Y136-F372 WeakPolarHBondContact OH-CA 3.48Å; D142-F372 HydrophobicContact CB-CD1 4.21Å; V145-F372 HydrophobicContact CB-CE1 4.17Å; V145-F372 HydrophobicContact CG1-CE1 4.02Å; V145-F372 HydrophobicContact CG1-CZ 4.44Å; V145-F372 HydrophobicContact CG2-CE1 4.32Å; H368-F372 HydrophobicContact CB-CE2 4.41Å; F372-K375 HydrophobicContact CB-CB 3.97Å; F372-K375 HydrophobicContact CB-CG 4.43Å; F372-L378 HydrophobicContact CD1-CD1 3.72Å; F372-L378 HydrophobicContact CE1-CD1 3.51Å; F372-L378 HydrophobicContact CG-CD1 4.36Å; F372-L378 HydrophobicContact CZ-CD1 4.01Å; F372-F387 HydrophobicContact CD2-CZ 4.43Å; F372-F387 AromaticContact CE2-CE2 3.52Å; F372-F387 HydrophobicContact CE2-CE2 3.52Å; F372-F387 AromaticContact CE2-CZ 3.64Å; F372-F387 HydrophobicContact CE2-CZ 3.64Å; F372-F387 HydrophobicContact CZ-CD2 4.29Å; F372-F387 AromaticContact CZ-CE2 3.62Å; F372-F387 HydrophobicContact CZ-CE2 3.62Å; F372-F387 AromaticContact CZ-CZ 3.76Å; F372-F387 HydrophobicContact CZ-CZ 3.76Å
373N85.3Confident89.4Confident85 Ų8556.8 Ų56.846%0.45533%0.327SS..SBendtrans-70.7-38.5175.2-76.1-26.6000111.8T135 Y136 D142T135-N373 PolarHBondContact OG1-ND2 2.68Å; T135-N373 VanDerWaalsContact OG1-ND2 3.15Å; T135-N373 PolarHBondContact OG1-OD1 3.47Å; Y136-N373 HydrophobicContact CE1-CB 4.24Å; Y136-N373 WeakPolarHBondContact CE1-ND2 3.34Å; Y136-N373 PolarHBondContact O-ND2 2.88Å; Y136-N373 PolarHBondContact OH-N 3.42Å; D142-N373 PolarHBondContact OD2-N 3.04Å
374Q86.1Confident89Confident105 Ų10559.9 Ų59.949%0.49134%0.341SS..  trans-13860.8-175.4-64.2-164.76300111.3D142 A376 E377D142-Q374 WeakPolarHBondContact OD2-CA 3.26Å; D142-Q374 PolarHBondContact OD2-N 3.13Å; Q374-A376 PolarHBondContact O-N 3.16Å; Q374-E377 HydrophobicContact CB-CG 4.05Å; Q374-E377 VanDerWaalsContact O-CB 3.31Å; Q374-E377 WeakPolarHBondContact O-CB 3.41Å; Q374-E377 WeakPolarHBondContact O-CG 3.37Å; Q374-E377 PolarHBondContact O-N 2.62Å
375K83.3Confident88.9Confident72 Ų7260.9 Ų60.931%0.31335%0.346SS..G310 helixtrans-53.9-25.9-179.4-164178.8176.9-177.20114.5H368 F372 E377 L378 T379H368-K375 VanDerWaalsContact CD2-CE 3.44Å; H368-K375 WeakPolarHBondContact CD2-CE 3.48Å; H368-K375 PolarHBondContact CD2-NZ 2.99Å; H368-K375 WeakPolarHBondContact NE2-CE 3.36Å; H368-K375 PolarHBondContact NE2-NZ 3.43Å; F372-K375 HydrophobicContact CB-CB 3.97Å; F372-K375 HydrophobicContact CB-CG 4.43Å; K375-E377 PolarHBondContact O-N 3.31Å; K375-E377 VanDerWaalsContact O-N 3.13Å; K375-L378 PolarHBondContact O-N 3.15Å; K375-T379 PolarHBondContact O-N 2.93Å
376A83.7Confident88.6Confident78 Ų7861.8 Ų61.865%0.64535%0.352SS*.G310 helixtrans-57.8-22.8174.300000113.2Q374 L378 T379Q374-A376 PolarHBondContact O-N 3.16Å; A376-L378 PolarHBondContact O-N 2.96Å; A376-T379 PolarHBondContact O-OG1 2.73Å
377E82.1Confident88.7Confident37 Ų3761 Ų6117%0.17334%0.341CS..G310 helixtrans-72.1-7.4173.4-66.1-169171.900114.5D142 R143 Q374 K375 Q381D142-E377 HydrophobicContact CB-CB 4.42Å; D142-E377 PolarHBondContact N-OE2 3.34Å; D142-E377 VanDerWaalsContact N-OE2 3.08Å; R143-E377 HydrophobicContact CG-CB 4.21Å; R143-E377 WeakPolarHBondContact CG-O 3.22Å; R143-E377 PolarHBondContact NE-O 2.99Å; R143-E377 VanDerWaalsContact NE-O 3.13Å; R143-E377 IonicContact NH1-OE1 2.87Å; R143-E377 IonicContact NH1-OE2 3.61Å; Q374-E377 HydrophobicContact CB-CG 4.05Å; Q374-E377 VanDerWaalsContact O-CB 3.31Å; Q374-E377 WeakPolarHBondContact O-CB 3.41Å; Q374-E377 WeakPolarHBondContact O-CG 3.37Å; Q374-E377 PolarHBondContact O-N 2.62Å; K375-E377 PolarHBondContact O-N 3.31Å; K375-E377 VanDerWaalsContact O-N 3.13Å; E377-Q381 WeakPolarHBondContact O-CG 3.29Å
378L85.3Confident88.9Confident9 Ų956.4 Ų56.45%0.04732%0.317CS..THydrogen-bonded Turntrans-112.8-36-177-62.5176000112.3D142 R143 V146 F372 K375 A376 N380 F387D142-L378 HydrophobicContact CB-CD1 4.31Å; D142-L378 HydrophobicContact CB-CG 4.33Å; R143-L378 HydrophobicContact CG-CD2 4.28Å; V146-L378 HydrophobicContact CG2-CD2 3.63Å; F372-L378 HydrophobicContact CD1-CD1 3.72Å; F372-L378 HydrophobicContact CE1-CD1 3.51Å; F372-L378 HydrophobicContact CG-CD1 4.36Å; F372-L378 HydrophobicContact CZ-CD1 4.01Å; K375-L378 PolarHBondContact O-N 3.15Å; A376-L378 PolarHBondContact O-N 2.96Å; L378-N380 PolarHBondContact O-N 3.48Å; L378-F387 HydrophobicContact CB-CE1 4.04Å; L378-F387 HydrophobicContact CD1-CD1 4.32Å; L378-F387 HydrophobicContact CD1-CE1 3.62Å; L378-F387 HydrophobicContact CD1-CZ 4.02Å; L378-F387 HydrophobicContact CG-CE1 4.4Å
379T80.3Confident89.1Confident75 Ų7557.4 Ų57.446%0.4632%0.322SS..THydrogen-bonded Turntrans-63.5124.1-176.5480000112.1K375 A376 Q381K375-T379 PolarHBondContact O-N 2.93Å; A376-T379 PolarHBondContact O-OG1 2.73Å; T379-Q381 VanDerWaalsContact C-N 3.28Å; T379-Q381 PolarHBondContact O-N 3.38Å
380N80.3Confident89.4Confident169 Ų16961 Ų6190%0.90433%0.332SS*.THydrogen-bonded Turntrans58.229.5176.8-59.1-39.1000115.4L378L378-N380 PolarHBondContact O-N 3.48Å
381Q88.3Confident89.8Confident83 Ų8357.3 Ų57.339%0.38831%0.312SS..SBendtrans-93.20.1-176.9-63.7-68.8-64.900114.5E377 T379 Q384 F385E377-Q381 WeakPolarHBondContact O-CG 3.29Å; T379-Q381 VanDerWaalsContact C-N 3.28Å; T379-Q381 PolarHBondContact O-N 3.38Å; Q381-Q384 PolarHBondContact O-NE2 3.02Å; Q381-F385 HydrophobicContact CB-CB 4.38Å; Q381-F385 HydrophobicContact CB-CD2 3.34Å; Q381-F385 HydrophobicContact CB-CE2 3.8Å; Q381-F385 HydrophobicContact CB-CG 4.09Å; Q381-F385 VanDerWaalsContact O-CD2 3.27Å; Q381-F385 WeakPolarHBondContact O-CD2 3.26Å; Q381-F385 WeakPolarHBondContact O-CE2 3.2Å
382G89.7Confident90Very high32 Ų3256.8 Ų56.833%0.3331%0.31SS..  trans117.1169.2179.700000113.8Q384 F385G382-Q384 VanDerWaalsContact C-N 3.29Å; G382-Q384 PolarHBondContact O-N 3.24Å; G382-F385 PolarHBondContact O-N 3.26Å; G382-F385 VanDerWaalsContact O-N 3.09Å
383P92.2Very high90.2Very high74 Ų7458.2 Ų58.248%0.48132%0.318SS..G310 helixtrans-63.6-32-16925.4-34.6000112.8F357 R361 F385 T386F357-P383 HydrophobicContact CE2-CB 4.33Å; F357-P383 HydrophobicContact CE2-CG 4.48Å; F357-P383 HydrophobicContact CZ-CG 4.28Å; R361-P383 PolarHBondContact NH1-O 3.22Å; R361-P383 PolarHBondContact NH2-O 3.38Å; P383-F385 PolarHBondContact O-N 3.03Å; P383-F385 VanDerWaalsContact O-N 3.14Å; P383-T386 PolarHBondContact O-N 2.85Å; P383-T386 PolarHBondContact O-OG1 3.31Å
384Q91.3Very high90.8Very high64 Ų6458 Ų5830%0.29932%0.32SS..G310 helixtrans-65-12.4177.563.3-78.9-9.900114.6F357 R361 Q381 G382F357-Q384 HydrophobicContact CD2-CB 3.79Å; F357-Q384 HydrophobicContact CE2-CB 3.93Å; F357-Q384 HydrophobicContact CG-CB 4.12Å; F357-Q384 HydrophobicContact CZ-CB 4.35Å; R361-Q384 PolarHBondContact NH2-O 3.1Å; Q381-Q384 PolarHBondContact O-NE2 3.02Å; G382-Q384 VanDerWaalsContact C-N 3.29Å; G382-Q384 PolarHBondContact O-N 3.24Å
385F94.3Very high91.3Very high22 Ų2256.2 Ų56.210%0.09632%0.319CS..G310 helixtrans-106.25.7-179.6-54.1-66.7000113.9R143 V146 A147 Q381 G382 P383 F387R143-F385 HydrophobicContact CB-CD1 4.21Å; R143-F385 HydrophobicContact CB-CE1 3.76Å; R143-F385 HydrophobicContact CG-CD1 4.21Å; R143-F385 HydrophobicContact CG-CE1 3.89Å; R143-F385 HydrophobicContact CG-CZ 4.33Å; V146-F385 HydrophobicContact CG2-CB 4.14Å; V146-F385 HydrophobicContact CG2-CD1 3.94Å; A147-F385 HydrophobicContact CB-CD1 3.97Å; A147-F385 HydrophobicContact CB-CE1 3.76Å; Q381-F385 HydrophobicContact CB-CB 4.38Å; Q381-F385 HydrophobicContact CB-CD2 3.34Å; Q381-F385 HydrophobicContact CB-CE2 3.8Å; Q381-F385 HydrophobicContact CB-CG 4.09Å; Q381-F385 VanDerWaalsContact O-CD2 3.27Å; Q381-F385 WeakPolarHBondContact O-CD2 3.26Å; Q381-F385 WeakPolarHBondContact O-CE2 3.2Å; G382-F385 PolarHBondContact O-N 3.26Å; G382-F385 VanDerWaalsContact O-N 3.09Å; P383-F385 PolarHBondContact O-N 3.03Å; P383-F385 VanDerWaalsContact O-N 3.14Å; F385-F387 WeakPolarHBondContact O-CD1 3.36Å
386T92.9Very high92Very high20 Ų2053.5 Ų53.512%0.12331%0.308CS..  trans-69.2134174.455.60000111.9R361 P383 D391R361-T386 VanDerWaalsContact CZ-OG1 3.25Å; R361-T386 PolarHBondContact NH2-O 3.46Å; R361-T386 PolarHBondContact NH2-OG1 2.74Å; P383-T386 PolarHBondContact O-N 2.85Å; P383-T386 PolarHBondContact O-OG1 3.31Å; T386-D391 HydrophobicContact CG2-CB 3.91Å
387F96.5Very high92.7Very high8 Ų850.6 Ų50.64%0.03528%0.281CS..  trans-156.5-16.3-177.476.9-84.2000114.5V146 I343 F363 L364 H368 F372 L378 F385 D391V146-F387 HydrophobicContact CB-CB 4.31Å; V146-F387 HydrophobicContact CG1-CB 3.58Å; V146-F387 HydrophobicContact CG1-CD1 3.83Å; V146-F387 HydrophobicContact CG1-CD2 4.4Å; V146-F387 HydrophobicContact CG1-CG 3.67Å; I343-F387 HydrophobicContact CD1-CB 3.89Å; I343-F387 HydrophobicContact CD1-CD2 3.98Å; I343-F387 HydrophobicContact CD1-CG 4.37Å; I343-F387 HydrophobicContact CG1-CB 4.39Å; F363-F387 CarbonylContact C-O 3.46Å; F363-F387 VanDerWaalsContact CA-O 3.28Å; F363-F387 WeakPolarHBondContact CA-O 3.4Å; L364-F387 PolarHBondContact N-O 3.15Å; H368-F387 AromaticContact CD2-CE2 3.88Å; H368-F387 AromaticContact CD2-CZ 3.93Å; F372-F387 HydrophobicContact CD2-CZ 4.43Å; F372-F387 AromaticContact CE2-CE2 3.52Å; F372-F387 HydrophobicContact CE2-CE2 3.52Å; F372-F387 AromaticContact CE2-CZ 3.64Å; F372-F387 HydrophobicContact CE2-CZ 3.64Å; F372-F387 HydrophobicContact CZ-CD2 4.29Å; F372-F387 AromaticContact CZ-CE2 3.62Å; F372-F387 HydrophobicContact CZ-CE2 3.62Å; F372-F387 AromaticContact CZ-CZ 3.76Å; F372-F387 HydrophobicContact CZ-CZ 3.76Å; L378-F387 HydrophobicContact CB-CE1 4.04Å; L378-F387 HydrophobicContact CD1-CD1 4.32Å; L378-F387 HydrophobicContact CD1-CE1 3.62Å; L378-F387 HydrophobicContact CD1-CZ 4.02Å; L378-F387 HydrophobicContact CG-CE1 4.4Å; F385-F387 WeakPolarHBondContact O-CD1 3.36Å; F387-D391 PolarHBondContact N-OD2 3.25Å
388S97Very high93.4Very high11 Ų1152.6 Ų52.68%0.07730%0.297CS..BIsolated β-bridgetrans-88.2167.7-171.570.30000112.8L364 E390 D391 F392L364-S388 CarbonylContact O-C 3.5Å; S388-E390 VanDerWaalsContact C-N 3.27Å; S388-E390 PolarHBondContact O-N 3.4Å; S388-D391 WeakPolarHBondContact CB-OD2 3.24Å; S388-D391 PolarHBondContact N-OD2 3.08Å; S388-D391 PolarHBondContact O-N 3.44Å; S388-D391 PolarHBondContact OG-N 3.04Å; S388-D391 PolarHBondContact OG-OD2 3.03Å; S388-F392 PolarHBondContact O-N 2.74Å
389Q97.1Very high94Very high47 Ų4755.5 Ų55.522%0.2232%0.318CS..Hα-helixtrans-51.9-45.4169.5180166.7-6.200112.6L364 I365 G366 F392 L393 E418L364-Q389 PolarHBondContact O-N 3.39Å; I365-Q389 HydrophobicContact CD1-CB 3.95Å; I365-Q389 HydrophobicContact CD1-CG 4.04Å; I365-Q389 HydrophobicContact CG2-CG 4.16Å; G366-Q389 VanDerWaalsContact N-OE1 3.07Å; Q389-F392 PolarHBondContact O-N 3.34Å; Q389-L393 HydrophobicContact CG-CD1 3.91Å; Q389-L393 VanDerWaalsContact O-CG 3.3Å; Q389-L393 WeakPolarHBondContact O-CG 3.4Å; Q389-L393 PolarHBondContact O-N 2.82Å; Q389-E418 PolarHBondContact NE2-OE1 3.24Å
390E96.4Very high94.9Very high141 Ų14152.4 Ų52.466%0.65930%0.299SS*.Hα-helixtrans-63.4-45.2179.4-175.6175-176.700110.8S388 F392 L393 T394S388-E390 VanDerWaalsContact C-N 3.27Å; S388-E390 PolarHBondContact O-N 3.4Å; E390-F392 VanDerWaalsContact C-N 3.32Å; E390-F392 PolarHBondContact O-N 3.37Å; E390-L393 PolarHBondContact O-N 3.42Å; E390-T394 HydrophobicContact CG-CG2 4.09Å; E390-T394 VanDerWaalsContact O-CB 3.31Å; E390-T394 WeakPolarHBondContact O-CB 3.45Å; E390-T394 VanDerWaalsContact O-CG2 3.27Å; E390-T394 WeakPolarHBondContact O-CG2 3.32Å; E390-T394 PolarHBondContact O-N 3.23Å; E390-T394 PolarHBondContact O-OG1 3.45Å
391D96.6Very high95.7Very high40 Ų4047 Ų4721%0.21427%0.272CS..Hα-helixtrans-60.5-42.5177.9-57-48.4000111.8F363 T386 F387 S388 S395 I396F363-D391 HydrophobicContact CE1-CB 4.23Å; T386-D391 HydrophobicContact CG2-CB 3.91Å; F387-D391 PolarHBondContact N-OD2 3.25Å; S388-D391 WeakPolarHBondContact CB-OD2 3.24Å; S388-D391 PolarHBondContact N-OD2 3.08Å; S388-D391 PolarHBondContact O-N 3.44Å; S388-D391 PolarHBondContact OG-N 3.04Å; S388-D391 PolarHBondContact OG-OD2 3.03Å; D391-S395 WeakPolarHBondContact O-CA 3.37Å; D391-S395 WeakPolarHBondContact O-CB 3.47Å; D391-S395 PolarHBondContact O-N 2.74Å; D391-I396 PolarHBondContact O-N 2.95Å
392F98.3Very high96.2Very high0 Ų049.1 Ų49.10%028%0.282CS..Iπ-helixtrans-61.7-51.4178.6-176.8-104.2000111.2Y331 V333 F363 S388 Q389 E390 T394 I396 L397 V406 I422 V426Y331-F392 HydrophobicContact CG-CE2 4.43Å; V333-F392 HydrophobicContact CG2-CD2 4.07Å; V333-F392 HydrophobicContact CG2-CE1 4.21Å; V333-F392 HydrophobicContact CG2-CE2 3.6Å; V333-F392 HydrophobicContact CG2-CZ 3.68Å; F363-F392 HydrophobicContact CB-CB 4.35Å; F363-F392 HydrophobicContact CB-CD2 4.46Å; F363-F392 HydrophobicContact CD1-CB 3.61Å; F363-F392 HydrophobicContact CD1-CD2 4.18Å; F363-F392 HydrophobicContact CD1-CG 4.35Å; F363-F392 AromaticContact CD2-CD2 3.82Å; F363-F392 HydrophobicContact CD2-CD2 3.82Å; F363-F392 HydrophobicContact CE1-CB 4.11Å; F363-F392 HydrophobicContact CE1-CD2 4.45Å; F363-F392 HydrophobicContact CE2-CD2 4.15Å; F363-F392 HydrophobicContact CG-CB 3.96Å; F363-F392 AromaticContact CG-CD2 3.87Å; F363-F392 HydrophobicContact CG-CD2 3.87Å; F363-F392 HydrophobicContact CG-CG 4.27Å; F363-F392 HydrophobicContact CZ-CD2 4.46Å; S388-F392 PolarHBondContact O-N 2.74Å; Q389-F392 PolarHBondContact O-N 3.34Å; E390-F392 VanDerWaalsContact C-N 3.32Å; E390-F392 PolarHBondContact O-N 3.37Å; F392-T394 PolarHBondContact O-N 2.85Å; F392-I396 HydrophobicContact CD2-CB 3.9Å; F392-I396 HydrophobicContact CD2-CG1 4.38Å; F392-I396 HydrophobicContact CD2-CG2 3.91Å; F392-I396 HydrophobicContact CE2-CB 4.26Å; F392-I396 HydrophobicContact CE2-CG2 3.79Å; F392-I396 WeakPolarHBondContact O-CB 3.42Å; F392-I396 PolarHBondContact O-N 3.26Å; F392-I396 VanDerWaalsContact O-N 3.15Å; F392-L397 WeakPolarHBondContact O-CB 3.2Å; F392-L397 PolarHBondContact O-N 2.99Å; F392-V406 HydrophobicContact CZ-CG1 4.36Å; F392-I422 HydrophobicContact CD1-CG2 4.46Å; F392-I422 HydrophobicContact CE1-CG2 3.95Å; F392-V426 HydrophobicContact CE1-CG2 4.09Å; F392-V426 HydrophobicContact CZ-CG2 3.97Å
393L98.1Very high96.6Very high50 Ų5049.9 Ų49.926%0.26228%0.278SS..Iπ-helixtrans-69.3-34.6-175.1-64.8175.5000112.8Q389 E390 L397 I422Q389-L393 HydrophobicContact CG-CD1 3.91Å; Q389-L393 VanDerWaalsContact O-CG 3.3Å; Q389-L393 WeakPolarHBondContact O-CG 3.4Å; Q389-L393 PolarHBondContact O-N 2.82Å; E390-L393 PolarHBondContact O-N 3.42Å; L393-L397 HydrophobicContact CD2-CD2 3.96Å; L393-I422 HydrophobicContact CD2-CD1 4.33Å; L393-I422 HydrophobicContact CD2-CG1 4.2Å; L393-I422 HydrophobicContact CD2-CG2 4.27Å
394T97.1Very high96.9Very high82 Ų8246.4 Ų46.450%0.50326%0.255SS..Iπ-helixtrans-93-34.2-174.361.90000113.5E390 F392 P398E390-T394 HydrophobicContact CG-CG2 4.09Å; E390-T394 VanDerWaalsContact O-CB 3.31Å; E390-T394 WeakPolarHBondContact O-CB 3.45Å; E390-T394 VanDerWaalsContact O-CG2 3.27Å; E390-T394 WeakPolarHBondContact O-CG2 3.32Å; E390-T394 PolarHBondContact O-N 3.23Å; E390-T394 PolarHBondContact O-OG1 3.45Å; F392-T394 PolarHBondContact O-N 2.85Å; T394-P398 WeakPolarHBondContact O-CG 3.45Å
395S95.9Very high97.3Very high66 Ų6643.5 Ų43.546%0.46224%0.242SC..Iπ-helixtrans-110.2-32.7-170.9-55.40000113.3D391 S399D391-S395 WeakPolarHBondContact O-CA 3.37Å; D391-S395 WeakPolarHBondContact O-CB 3.47Å; D391-S395 PolarHBondContact O-N 2.74Å; S395-S399 PolarHBondContact O-OG 2.89Å
396I98Very high97.5Very high16 Ų1642.5 Ų42.58%0.08224%0.237CC..Iπ-helixtrans-97.5-55.2-174.7-58-56.3000111.8Y331 F363 D391 F392 P398 S399 L400Y331-I396 HydrophobicContact CD1-CG2 3.64Å; Y331-I396 HydrophobicContact CD2-CG2 4.16Å; Y331-I396 HydrophobicContact CE1-CB 4.49Å; Y331-I396 HydrophobicContact CE1-CD1 4.1Å; Y331-I396 HydrophobicContact CE1-CG1 4.37Å; Y331-I396 HydrophobicContact CE1-CG2 3.35Å; Y331-I396 HydrophobicContact CE2-CG2 3.92Å; Y331-I396 HydrophobicContact CG-CG2 4.01Å; Y331-I396 VanDerWaalsContact CZ-CG2 3.48Å; F363-I396 HydrophobicContact CE1-CG1 3.96Å; F363-I396 HydrophobicContact CE2-CG1 4.18Å; F363-I396 HydrophobicContact CZ-CD1 4.07Å; F363-I396 HydrophobicContact CZ-CG1 3.47Å; F363-I396 VanDerWaalsContact CZ-CG1 3.47Å; D391-I396 PolarHBondContact O-N 2.95Å; F392-I396 HydrophobicContact CD2-CB 3.9Å; F392-I396 HydrophobicContact CD2-CG1 4.38Å; F392-I396 HydrophobicContact CD2-CG2 3.91Å; F392-I396 HydrophobicContact CE2-CB 4.26Å; F392-I396 HydrophobicContact CE2-CG2 3.79Å; F392-I396 WeakPolarHBondContact O-CB 3.42Å; F392-I396 PolarHBondContact O-N 3.26Å; F392-I396 VanDerWaalsContact O-N 3.15Å; I396-P398 VanDerWaalsContact C-CD 3.44Å; I396-P398 VanDerWaalsContact C-N 3.32Å; I396-S399 PolarHBondContact O-N 3.38Å; I396-S399 PolarHBondContact O-OG 3.1Å; I396-L400 HydrophobicContact CG2-CD2 4.04Å; I396-L400 HydrophobicContact CG2-CG 4.48Å; I396-L400 PolarHBondContact O-N 2.86Å
397L98.3Very high97.8Very high17 Ų1741.5 Ų41.59%0.08923%0.231CC..G310 helixtrans-51-43.2-176.717465.8000113.1F392 L393 S399 L400 Q425 V426F392-L397 WeakPolarHBondContact O-CB 3.2Å; F392-L397 PolarHBondContact O-N 2.99Å; L393-L397 HydrophobicContact CD2-CD2 3.96Å; L397-S399 VanDerWaalsContact C-N 3.27Å; L397-S399 PolarHBondContact O-N 2.87Å; L397-L400 HydrophobicContact CD1-CD1 4Å; L397-L400 PolarHBondContact O-N 3.39Å; L397-Q425 HydrophobicContact CD1-CB 4.24Å; L397-Q425 HydrophobicContact CD2-CB 4.02Å; L397-V426 HydrophobicContact CD1-CB 4.44Å; L397-V426 HydrophobicContact CD1-CG2 3.66Å
398P98.4Very high97.9Very high79 Ų7941.1 Ų41.151%0.51323%0.23SC..G310 helixtrans-66.5-27.6179.2-23.236.9000113.9T394 I396T394-P398 WeakPolarHBondContact O-CG 3.45Å; I396-P398 VanDerWaalsContact C-CD 3.44Å; I396-P398 VanDerWaalsContact C-N 3.32Å
399S97.6Very high98Very high69 Ų6940.6 Ų40.648%0.48323%0.226SC..G310 helixtrans-94.4-2.3-178.160.60000114.7S395 I396 L397S395-S399 PolarHBondContact O-OG 2.89Å; I396-S399 PolarHBondContact O-N 3.38Å; I396-S399 PolarHBondContact O-OG 3.1Å; L397-S399 VanDerWaalsContact C-N 3.27Å; L397-S399 PolarHBondContact O-N 2.87Å
400L98.6Very high98.1Very high11 Ų1138.4 Ų38.46%0.05822%0.216CC..  trans-60140.5177.4-71.1-178.9000111.6Y331 I396 L397 D404 V406 V426 K429Y331-L400 HydrophobicContact CD2-CD2 3.4Å; Y331-L400 HydrophobicContact CE2-CD2 3.15Å; Y331-L400 HydrophobicContact CG-CD2 4.45Å; I396-L400 HydrophobicContact CG2-CD2 4.04Å; I396-L400 HydrophobicContact CG2-CG 4.48Å; I396-L400 PolarHBondContact O-N 2.86Å; L397-L400 HydrophobicContact CD1-CD1 4Å; L397-L400 PolarHBondContact O-N 3.39Å; L400-D404 HydrophobicContact CD2-CB 4.12Å; L400-V406 HydrophobicContact CD1-CG2 4.08Å; L400-V406 HydrophobicContact CD2-CG2 4.4Å; L400-V426 HydrophobicContact CD1-CB 4.49Å; L400-V426 HydrophobicContact CD1-CG1 4.08Å; L400-V426 HydrophobicContact CD1-CG2 4.06Å; L400-K429 HydrophobicContact CB-CB 3.64Å; L400-K429 HydrophobicContact CB-CG 4.06Å; L400-K429 HydrophobicContact CD1-CB 4.43Å
401T98.3Very high98.2Very high54 Ų5432.3 Ų32.333%0.33119%0.188SC..  trans-119.6167.2178.266.80000110.7I403 D404 T430T401-I403 PolarHBondContact O-N 2.88Å; T401-I403 VanDerWaalsContact O-N 3.16Å; T401-I403 VanDerWaalsContact OG1-CG1 3.27Å; T401-I403 WeakPolarHBondContact OG1-CG1 3.19Å; T401-D404 PolarHBondContact N-OD2 2.94Å; T401-D404 PolarHBondContact O-N 3.35Å; T401-D404 VanDerWaalsContact O-N 3.17Å; T401-D404 PolarHBondContact OG1-OD2 3.33Å; T401-T430 WeakPolarHBondContact O-CB 3.32Å
402E97.9Very high98.2Very high129 Ų12931.5 Ų31.560%0.60318%0.184SC*.THydrogen-bonded Turntrans-66.8-14.8-177.171.3-76.6-179.200114.4T430 H432E402-T430 PolarHBondContact O-OG1 2.8Å; E402-H432 PolarHBondContact O-CD2 3.05Å; E402-H432 PolarHBondContact O-NE2 3.11Å
403I98.3Very high98.2Very high48 Ų4835.7 Ų35.725%0.24621%0.206CC..THydrogen-bonded Turntrans-92-11.4178.161.5169.4000113.1S323 K326 T401S323-I403 VanDerWaalsContact CB-O 3.29Å; S323-I403 WeakPolarHBondContact CB-O 3.4Å; S323-I403 PolarHBondContact OG-O 2.73Å; K326-I403 HydrophobicContact CD-CG2 4.41Å; T401-I403 PolarHBondContact O-N 2.88Å; T401-I403 VanDerWaalsContact O-N 3.16Å; T401-I403 VanDerWaalsContact OG1-CG1 3.27Å; T401-I403 WeakPolarHBondContact OG1-CG1 3.19Å
404D98.6Very high98.1Very high1 Ų134.1 Ų34.11%0.00520%0.198CC..  trans-77.5143179.1-61.6-45000111.2H329 Y331 L400 T401 T430 H432H329-D404 WeakPolarHBondContact CB-OD1 3.48Å; H329-D404 IonicContact CG-OD1 3.62Å; H329-D404 PolarHBondContact N-OD1 3.16Å; H329-D404 IonicContact ND1-OD1 3.05Å; H329-D404 PolarHBondContact ND1-OD1 3Å; H329-D404 CarbonylContact O-C 3.52Å; H329-D404 WeakPolarHBondContact O-CA 3.28Å; Y331-D404 HydrophobicContact CE2-CB 4.24Å; L400-D404 HydrophobicContact CD2-CB 4.12Å; T401-D404 PolarHBondContact N-OD2 2.94Å; T401-D404 PolarHBondContact O-N 3.35Å; T401-D404 VanDerWaalsContact O-N 3.17Å; T401-D404 PolarHBondContact OG1-OD2 3.33Å; D404-T430 WeakPolarHBondContact O-CB 3.36Å; D404-T430 WeakPolarHBondContact O-CG2 3.47Å; D404-T430 PolarHBondContact O-OG1 3.28Å; D404-H432 WeakPolarHBondContact O-CB 3.4Å
405T98.9Very high98.2Very high3 Ų334.6 Ų34.62%0.01820%0.198CC..EExtended strand (participates in β ladder)trans-104134173.1-73.60000110.4V320 S323 H329 V330 Y331 V407 H432V320-T405 HydrophobicContact CG2-CG2 4.21Å; S323-T405 PolarHBondContact OG-N 3.4Å; S323-T405 PolarHBondContact OG-OG1 2.9Å; H329-T405 PolarHBondContact O-N 3.38Å; V330-T405 CarbonylContact C-O 3.46Å; V330-T405 WeakPolarHBondContact CA-O 3.34Å; Y331-T405 PolarHBondContact N-O 3.16Å; T405-V407 HydrophobicContact CG2-CG2 4.06Å; T405-H432 WeakPolarHBondContact CA-O 3.39Å
406V98.9Very high98.3Very high0 Ų033.1 Ų33.10%018%0.184CC..EExtended strand (participates in β ladder)trans-120.5123173.6-171.40000110.5Y331 V333 F392 L400 F408 V426 T430 H432 I433 Q434Y331-V406 HydrophobicContact CD2-CG2 4.23Å; Y331-V406 WeakPolarHBondContact O-CA 3.44Å; V333-V406 HydrophobicContact CG2-CG1 3.8Å; F392-V406 HydrophobicContact CZ-CG1 4.36Å; L400-V406 HydrophobicContact CD1-CG2 4.08Å; L400-V406 HydrophobicContact CD2-CG2 4.4Å; V406-F408 HydrophobicContact CB-CE2 4.11Å; V406-F408 HydrophobicContact CB-CZ 4.32Å; V406-F408 HydrophobicContact CG1-CD2 4.29Å; V406-F408 HydrophobicContact CG1-CE1 4.06Å; V406-F408 HydrophobicContact CG1-CE2 3.67Å; V406-F408 HydrophobicContact CG1-CZ 3.55Å; V406-V426 HydrophobicContact CB-CG1 3.78Å; V406-V426 HydrophobicContact CG1-CG1 4.15Å; V406-V426 HydrophobicContact CG2-CG1 3.56Å; V406-T430 HydrophobicContact CG2-CG2 4.16Å; V406-H432 PolarHBondContact N-O 3.09Å; V406-I433 WeakPolarHBondContact O-CA 3.46Å; V406-Q434 PolarHBondContact O-N 2.9Å
407V98.9Very high98.3Very high0 Ų037.2 Ų37.20%021%0.21CC..EExtended strand (participates in β ladder)trans-109.3118.3179.2-172.10000109.1L316 Y331 L332 V333 T405 I409 Q434L316-V407 HydrophobicContact CD1-CG2 3.8Å; L316-V407 HydrophobicContact CD2-CG1 4.14Å; Y331-V407 PolarHBondContact O-N 3.02Å; L332-V407 HydrophobicContact CD2-CB 3.91Å; L332-V407 HydrophobicContact CD2-CG2 3.95Å; V333-V407 PolarHBondContact N-O 2.9Å; T405-V407 HydrophobicContact CG2-CG2 4.06Å; V407-I409 HydrophobicContact CG1-CD1 4.2Å; V407-I409 HydrophobicContact CG1-CG1 4.43Å; V407-I409 WeakPolarHBondContact O-CD1 3.27Å; V407-Q434 CarbonylContact C-O 3.55Å; V407-Q434 WeakPolarHBondContact CA-O 3.25Å
408F98.9Very high98.3Very high0 Ų038.9 Ų38.90%022%0.218CC..EExtended strand (participates in β ladder)trans-95.6129.5178.8-61.2-88.6000110.7V333 W335 V406 F410 I422 V423 V426 I433 Q434 A435 L436 F453V333-F408 HydrophobicContact CB-CD1 4.15Å; V333-F408 HydrophobicContact CB-CE1 4.44Å; V333-F408 HydrophobicContact CG1-CD1 4.31Å; V333-F408 CarbonylContact O-C 3.58Å; V333-F408 WeakPolarHBondContact O-CA 3.33Å; W335-F408 HydrophobicContact CH2-CD1 4.08Å; W335-F408 AromaticContact CZ3-CD1 3.96Å; W335-F408 HydrophobicContact CZ3-CD1 3.96Å; V406-F408 HydrophobicContact CB-CE2 4.11Å; V406-F408 HydrophobicContact CB-CZ 4.32Å; V406-F408 HydrophobicContact CG1-CD2 4.29Å; V406-F408 HydrophobicContact CG1-CE1 4.06Å; V406-F408 HydrophobicContact CG1-CE2 3.67Å; V406-F408 HydrophobicContact CG1-CZ 3.55Å; F408-F410 HydrophobicContact CB-CD1 4.26Å; F408-F410 HydrophobicContact CB-CE1 4.32Å; F408-I422 HydrophobicContact CE1-CG2 4.09Å; F408-V423 HydrophobicContact CD1-CG2 3.68Å; F408-V423 HydrophobicContact CD2-CG2 3.84Å; F408-V423 HydrophobicContact CE1-CG2 3.64Å; F408-V423 HydrophobicContact CE2-CB 4.44Å; F408-V423 HydrophobicContact CE2-CG1 4.42Å; F408-V423 HydrophobicContact CE2-CG2 3.79Å; F408-V423 HydrophobicContact CG-CG2 3.78Å; F408-V423 HydrophobicContact CZ-CB 4.25Å; F408-V423 HydrophobicContact CZ-CG2 3.68Å; F408-V426 HydrophobicContact CE1-CG2 4.46Å; F408-V426 HydrophobicContact CE2-CG1 4.36Å; F408-V426 HydrophobicContact CZ-CB 3.89Å; F408-V426 HydrophobicContact CZ-CG1 4Å; F408-V426 HydrophobicContact CZ-CG2 3.86Å; F408-I433 HydrophobicContact CE2-CB 4.21Å; F408-I433 HydrophobicContact CE2-CG2 4.11Å; F408-Q434 PolarHBondContact N-O 2.81Å; F408-A435 HydrophobicContact CB-CB 4.27Å; F408-A435 CarbonylContact O-C 3.6Å; F408-A435 WeakPolarHBondContact O-CA 3.43Å; F408-L436 PolarHBondContact O-N 2.98Å; F408-F453 HydrophobicContact CB-CZ 4.43Å; F408-F453 AromaticContact CD2-CE1 3.97Å; F408-F453 HydrophobicContact CD2-CE1 3.97Å; F408-F453 AromaticContact CD2-CZ 3.67Å; F408-F453 HydrophobicContact CD2-CZ 3.67Å; F408-F453 HydrophobicContact CE2-CZ 4.25Å; F408-F453 HydrophobicContact CG-CZ 4.24Å
409I98.9Very high98.3Very high0 Ų035.1 Ų35.10%019%0.193CC..EExtended strand (participates in β ladder)trans-123.3113.7-179.3-51.493.9000109.7L332 V333 G334 W335 L338 A342 V407 L436 T482L332-I409 HydrophobicContact CB-CD1 4.39Å; V333-I409 PolarHBondContact O-N 3.4Å; G334-I409 CarbonylContact C-O 3.57Å; G334-I409 WeakPolarHBondContact CA-O 3.44Å; W335-I409 PolarHBondContact N-O 3.21Å; L338-I409 HydrophobicContact CB-CG2 3.92Å; L338-I409 HydrophobicContact CD1-CG2 3.85Å; L338-I409 HydrophobicContact CG-CG2 4.43Å; A342-I409 HydrophobicContact CB-CD1 4.49Å; V407-I409 HydrophobicContact CG1-CD1 4.2Å; V407-I409 HydrophobicContact CG1-CG1 4.43Å; V407-I409 WeakPolarHBondContact O-CD1 3.27Å; I409-L436 WeakPolarHBondContact CA-O 3.34Å; I409-L436 HydrophobicContact CG1-CB 4.22Å; I409-L436 HydrophobicContact CG2-CB 4.31Å; I409-L436 HydrophobicContact CG2-CD2 4.05Å; I409-L436 HydrophobicContact CG2-CG 4.24Å; I409-T482 HydrophobicContact CG2-CG2 3.79Å
410F98.8Very high98.3Very high0 Ų034.2 Ų34.20%018%0.181CC..EExtended strand (participates in β ladder)trans-150.9170.9-175.661.3-87.7000112.1W335 F408 L412 L416 V419 A435 L436 A437 H438 L445 L449W335-F410 HydrophobicContact CB-CB 4.27Å; W335-F410 HydrophobicContact CD2-CB 4.21Å; W335-F410 HydrophobicContact CE3-CB 4.05Å; W335-F410 HydrophobicContact CG-CB 4.31Å; F408-F410 HydrophobicContact CB-CD1 4.26Å; F408-F410 HydrophobicContact CB-CE1 4.32Å; F410-L412 HydrophobicContact CE2-CD2 4.15Å; F410-L416 HydrophobicContact CD2-CD2 3.92Å; F410-L416 HydrophobicContact CE2-CD2 4Å; F410-V419 HydrophobicContact CB-CG2 4.23Å; F410-V419 HydrophobicContact CD1-CG1 3.83Å; F410-V419 HydrophobicContact CD1-CG2 4.48Å; F410-V419 HydrophobicContact CD2-CG1 4.39Å; F410-V419 HydrophobicContact CD2-CG2 4.34Å; F410-V419 HydrophobicContact CE1-CG1 3.72Å; F410-V419 HydrophobicContact CE2-CG1 4.3Å; F410-V419 HydrophobicContact CG-CG1 4.18Å; F410-V419 HydrophobicContact CG-CG2 4.12Å; F410-V419 HydrophobicContact CZ-CG1 3.98Å; F410-A435 HydrophobicContact CE1-CB 3.86Å; F410-A435 HydrophobicContact CZ-CB 4.48Å; F410-L436 PolarHBondContact N-O 3.36Å; F410-L436 VanDerWaalsContact N-O 3.15Å; F410-A437 HydrophobicContact CD2-CB 4.46Å; F410-A437 HydrophobicContact CE1-CB 4.49Å; F410-A437 HydrophobicContact CE2-CB 3.91Å; F410-A437 HydrophobicContact CZ-CB 3.93Å; F410-A437 WeakPolarHBondContact O-CA 3.42Å; F410-H438 PolarHBondContact O-N 2.72Å; F410-L445 HydrophobicContact CE2-CD1 4.02Å; F410-L445 HydrophobicContact CZ-CD1 4.15Å; F410-L449 HydrophobicContact CE2-CD1 4.41Å; F410-L449 HydrophobicContact CZ-CD1 4.42Å
411T98.6Very high98.3Very high14 Ų1436.7 Ų36.79%0.08620%0.197CC..EExtended strand (participates in β ladder)trans-109.1157.2172750000110.4L338 D413 D414 H438L338-T411 HydrophobicContact CD1-CG2 3.91Å; T411-D413 PolarHBondContact O-N 3.41Å; T411-D413 VanDerWaalsContact O-N 3.14Å; T411-D413 PolarHBondContact OG1-N 2.84Å; T411-D414 WeakPolarHBondContact CA-OD2 3.45Å; T411-D414 WeakPolarHBondContact CB-OD2 3.5Å; T411-D414 PolarHBondContact N-OD2 2.62Å; T411-D414 WeakPolarHBondContact O-CB 3.46Å; T411-D414 PolarHBondContact O-N 3.04Å; T411-D414 VanDerWaalsContact O-N 3.12Å; T411-D414 PolarHBondContact OG1-N 2.73Å; T411-D414 PolarHBondContact OG1-OD2 3.18Å; T411-H438 CarbonylContact C-O 3.57Å; T411-H438 VanDerWaalsContact CA-O 3.25Å; T411-H438 WeakPolarHBondContact CA-O 3.35Å; T411-H438 HydrophobicContact CG2-CB 4.28Å
412L98.1Very high98.4Very high22 Ų2234.4 Ų34.412%0.11518%0.183CC..THydrogen-bonded Turntrans-70.3-2.9172.3-59.4-165.5000113.7F410 L416 H438 S439 Q443 L445F410-L412 HydrophobicContact CE2-CD2 4.15Å; L412-L416 HydrophobicContact CD2-CD1 4.38Å; L412-L416 HydrophobicContact CD2-CD2 4.48Å; L412-H438 PolarHBondContact N-O 2.92Å; L412-S439 VanDerWaalsContact CD1-CB 3.45Å; L412-Q443 HydrophobicContact CB-CB 4.36Å; L412-Q443 HydrophobicContact CD1-CB 3.81Å; L412-L445 HydrophobicContact CD2-CD1 3.55Å
413D96.4Very high98.4Very high89 Ų8928.3 Ų28.348%0.47615%0.154SC..THydrogen-bonded Turntrans-91.6-9.4173.6-52.2-51.6000112T411 Q443 R478T411-D413 PolarHBondContact O-N 3.41Å; T411-D413 VanDerWaalsContact O-N 3.14Å; T411-D413 PolarHBondContact OG1-N 2.84Å; D413-Q443 PolarHBondContact OD1-NE2 3.08Å; D413-R478 IonicContact OD2-CZ 2.66Å; D413-R478 IonicContact OD2-NH1 3.32Å; D413-R478 PolarHBondContact OD2-NH1 2.81Å; D413-R478 IonicContact OD2-NH2 2.75Å; D413-R478 PolarHBondContact OD2-NH2 3.23Å
414D97.9Very high98.4Very high17 Ų1729.9 Ų29.99%0.09116%0.16CC..SBendtrans-75.6171.6177-74.2-65.1000112.7W335 Q336 T411 L416W335-D414 HydrophobicContact CG-CB 4.48Å; Q336-D414 PolarHBondContact NE2-OD1 3.37Å; T411-D414 WeakPolarHBondContact CA-OD2 3.45Å; T411-D414 WeakPolarHBondContact CB-OD2 3.5Å; T411-D414 PolarHBondContact N-OD2 2.62Å; T411-D414 WeakPolarHBondContact O-CB 3.46Å; T411-D414 PolarHBondContact O-N 3.04Å; T411-D414 VanDerWaalsContact O-N 3.12Å; T411-D414 PolarHBondContact OG1-N 2.73Å; T411-D414 PolarHBondContact OG1-OD2 3.18Å; D414-L416 VanDerWaalsContact C-N 3.32Å; D414-L416 WeakPolarHBondContact O-CG 3.37Å; D414-L416 PolarHBondContact O-N 2.61Å
415N97.9Very high98.4Very high92 Ų9233.4 Ų33.449%0.49218%0.177SC..  trans-69.487.5172.1-174.5-9.6000110.8T417 E418 V419N415-T417 PolarHBondContact O-N 3.08Å; N415-T417 WeakPolarHBondContact OD1-CB 3.27Å; N415-T417 PolarHBondContact OD1-N 3.18Å; N415-E418 HydrophobicContact CB-CB 4.05Å; N415-E418 WeakPolarHBondContact O-CB 3.3Å; N415-E418 PolarHBondContact O-N 3.24Å; N415-E418 PolarHBondContact OD1-N 2.66Å; N415-V419 PolarHBondContact O-N 3.22Å
416L98.1Very high98.4Very high35 Ų3533.2 Ų33.218%0.18318%0.176CC..Hα-helixtrans-64.7-21.8-176.1-58.1-173.6000113.7F410 L412 D414 V419 Q420 P446 L449F410-L416 HydrophobicContact CD2-CD2 3.92Å; F410-L416 HydrophobicContact CE2-CD2 4Å; L412-L416 HydrophobicContact CD2-CD1 4.38Å; L412-L416 HydrophobicContact CD2-CD2 4.48Å; D414-L416 VanDerWaalsContact C-N 3.32Å; D414-L416 WeakPolarHBondContact O-CG 3.37Å; D414-L416 PolarHBondContact O-N 2.61Å; L416-V419 HydrophobicContact CD2-CG2 4.49Å; L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 PolarHBondContact O-N 3.04Å; L416-P446 HydrophobicContact CD1-CG 3.55Å; L416-L449 HydrophobicContact CB-CD1 4.18Å; L416-L449 HydrophobicContact CD2-CD1 4.34Å
417T98.1Very high98.3Very high101 Ų10137.4 Ų37.462%0.6219%0.194SC*.Hα-helixtrans-68.9-45.7172-53.80000110.4N415 Q420 T421N415-T417 PolarHBondContact O-N 3.08Å; N415-T417 WeakPolarHBondContact OD1-CB 3.27Å; N415-T417 PolarHBondContact OD1-N 3.18Å; T417-Q420 PolarHBondContact O-N 3.34Å; T417-T421 PolarHBondContact O-N 3.33Å; T417-T421 PolarHBondContact O-OG1 3.05Å; T417-T421 VanDerWaalsContact O-OG1 3.05Å
418E98.4Very high98.3Very high53 Ų5345 Ų4525%0.24823%0.229CC..Hα-helixtrans-62.2-45174.8-179-174-121.700111.1W335 Q389 N415 Q420 T421 I422W335-E418 PolarHBondContact NE1-OE2 3.27Å; Q389-E418 PolarHBondContact NE2-OE1 3.24Å; N415-E418 HydrophobicContact CB-CB 4.05Å; N415-E418 WeakPolarHBondContact O-CB 3.3Å; N415-E418 PolarHBondContact O-N 3.24Å; N415-E418 PolarHBondContact OD1-N 2.66Å; E418-Q420 VanDerWaalsContact C-N 3.33Å; E418-Q420 PolarHBondContact O-N 3.32Å; E418-T421 PolarHBondContact O-N 2.97Å; E418-I422 HydrophobicContact CG-CD1 4Å; E418-I422 HydrophobicContact CG-CG1 4.49Å; E418-I422 WeakPolarHBondContact O-CG1 3.33Å; E418-I422 PolarHBondContact O-N 3.46Å
419V98.5Very high98.3Very high0 Ų049.2 Ų49.20%025%0.248CC..Hα-helixtrans-53.2-52.5173.7175.10000110.1W335 F410 N415 L416 T421 I422 V423 L449W335-V419 HydrophobicContact CD2-CG2 4.04Å; W335-V419 HydrophobicContact CE3-CG2 4.48Å; W335-V419 HydrophobicContact CH2-CB 4.41Å; W335-V419 HydrophobicContact CH2-CG1 4.46Å; W335-V419 HydrophobicContact CH2-CG2 4.08Å; W335-V419 HydrophobicContact CZ2-CB 4.11Å; W335-V419 HydrophobicContact CZ2-CG2 3.57Å; F410-V419 HydrophobicContact CB-CG2 4.23Å; F410-V419 HydrophobicContact CD1-CG1 3.83Å; F410-V419 HydrophobicContact CD1-CG2 4.48Å; F410-V419 HydrophobicContact CD2-CG1 4.39Å; F410-V419 HydrophobicContact CD2-CG2 4.34Å; F410-V419 HydrophobicContact CE1-CG1 3.72Å; F410-V419 HydrophobicContact CE2-CG1 4.3Å; F410-V419 HydrophobicContact CG-CG1 4.18Å; F410-V419 HydrophobicContact CG-CG2 4.12Å; F410-V419 HydrophobicContact CZ-CG1 3.98Å; N415-V419 PolarHBondContact O-N 3.22Å; L416-V419 HydrophobicContact CD2-CG2 4.49Å; V419-T421 PolarHBondContact O-N 3.39Å; V419-I422 PolarHBondContact O-N 3.26Å; V419-V423 HydrophobicContact CG1-CG2 4.24Å; V419-V423 WeakPolarHBondContact O-CB 3.3Å; V419-V423 WeakPolarHBondContact O-CG2 3.42Å; V419-V423 PolarHBondContact O-N 3.03Å; V419-L449 HydrophobicContact CG1-CD1 4.42Å; V419-L449 HydrophobicContact CG1-CD2 4.09Å
420Q98.5Very high98.2Very high50 Ų5049.3 Ų49.323%0.23425%0.248CC..Hα-helixtrans-58.9-46.8-179.7-177.3-178.4-27.200111.9L416 T417 E418 I422 V423 E424 L449 L452L416-Q420 WeakPolarHBondContact O-CB 3.41Å; L416-Q420 PolarHBondContact O-N 3.04Å; T417-Q420 PolarHBondContact O-N 3.34Å; E418-Q420 VanDerWaalsContact C-N 3.33Å; E418-Q420 PolarHBondContact O-N 3.32Å; Q420-I422 PolarHBondContact O-N 3.25Å; Q420-V423 PolarHBondContact O-N 3.24Å; Q420-E424 HydrophobicContact CG-CG 4.35Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.21Å; Q420-E424 PolarHBondContact NE2-OE1 3.37Å; Q420-E424 WeakPolarHBondContact O-CB 3.32Å; Q420-E424 WeakPolarHBondContact O-CG 3.43Å; Q420-E424 PolarHBondContact O-N 3.38Å; Q420-L449 HydrophobicContact CB-CD2 3.94Å; Q420-L449 HydrophobicContact CB-CG 4.46Å; Q420-L449 HydrophobicContact CG-CD2 4.4Å; Q420-L452 HydrophobicContact CG-CD1 4.1Å
421T98.6Very high98.1Very high63 Ų6352.9 Ų52.939%0.38727%0.273SS..Hα-helixtrans-59.2-46.8-179.6-61.40000112.2T417 E418 V419 E424 Q425T417-T421 PolarHBondContact O-N 3.33Å; T417-T421 PolarHBondContact O-OG1 3.05Å; T417-T421 VanDerWaalsContact O-OG1 3.05Å; E418-T421 PolarHBondContact O-N 2.97Å; V419-T421 PolarHBondContact O-N 3.39Å; T421-E424 PolarHBondContact O-N 3.27Å; T421-Q425 WeakPolarHBondContact O-CG 3.36Å; T421-Q425 PolarHBondContact O-N 2.87Å; T421-Q425 VanDerWaalsContact O-N 3.15Å
422I98.6Very high98.1Very high6 Ų655.3 Ų55.33%0.03128%0.284CS..Hα-helixtrans-67.6-40-179.8-61.4178.3000110.5W335 I365 F392 L393 F408 E418 V419 Q420 E424 Q425 V426W335-I422 HydrophobicContact CH2-CD1 4.35Å; W335-I422 HydrophobicContact CZ2-CD1 4Å; I365-I422 HydrophobicContact CG2-CD1 4.24Å; F392-I422 HydrophobicContact CD1-CG2 4.46Å; F392-I422 HydrophobicContact CE1-CG2 3.95Å; L393-I422 HydrophobicContact CD2-CD1 4.33Å; L393-I422 HydrophobicContact CD2-CG1 4.2Å; L393-I422 HydrophobicContact CD2-CG2 4.27Å; F408-I422 HydrophobicContact CE1-CG2 4.09Å; E418-I422 HydrophobicContact CG-CD1 4Å; E418-I422 HydrophobicContact CG-CG1 4.49Å; E418-I422 WeakPolarHBondContact O-CG1 3.33Å; E418-I422 PolarHBondContact O-N 3.46Å; V419-I422 PolarHBondContact O-N 3.26Å; Q420-I422 PolarHBondContact O-N 3.25Å; I422-E424 PolarHBondContact O-N 2.87Å; I422-Q425 PolarHBondContact O-N 3.13Å; I422-V426 WeakPolarHBondContact O-CG2 3.38Å; I422-V426 PolarHBondContact O-N 2.95Å
423V98.6Very high98.1Very high0 Ų055.2 Ų55.20%028%0.283CS..Hα-helixtrans-62.4-42.9177.31720000111.5F408 V419 Q420 V426 K427 I433 L452 F453F408-V423 HydrophobicContact CD1-CG2 3.68Å; F408-V423 HydrophobicContact CD2-CG2 3.84Å; F408-V423 HydrophobicContact CE1-CG2 3.64Å; F408-V423 HydrophobicContact CE2-CB 4.44Å; F408-V423 HydrophobicContact CE2-CG1 4.42Å; F408-V423 HydrophobicContact CE2-CG2 3.79Å; F408-V423 HydrophobicContact CG-CG2 3.78Å; F408-V423 HydrophobicContact CZ-CB 4.25Å; F408-V423 HydrophobicContact CZ-CG2 3.68Å; V419-V423 HydrophobicContact CG1-CG2 4.24Å; V419-V423 WeakPolarHBondContact O-CB 3.3Å; V419-V423 WeakPolarHBondContact O-CG2 3.42Å; V419-V423 PolarHBondContact O-N 3.03Å; Q420-V423 PolarHBondContact O-N 3.24Å; V423-V426 PolarHBondContact O-N 3.13Å; V423-K427 VanDerWaalsContact O-CB 3.31Å; V423-K427 WeakPolarHBondContact O-CB 3.44Å; V423-K427 PolarHBondContact O-N 3.15Å; V423-I433 HydrophobicContact CG1-CD1 3.87Å; V423-L452 HydrophobicContact CB-CD1 4.48Å; V423-L452 HydrophobicContact CG1-CB 4.25Å; V423-L452 HydrophobicContact CG1-CD1 3.92Å; V423-L452 HydrophobicContact CG1-CD2 4.37Å; V423-L452 HydrophobicContact CG1-CG 4.41Å; V423-F453 HydrophobicContact CB-CE2 4.45Å; V423-F453 HydrophobicContact CB-CZ 4.18Å; V423-F453 HydrophobicContact CG1-CE1 4.24Å; V423-F453 HydrophobicContact CG1-CE2 3.82Å; V423-F453 HydrophobicContact CG1-CZ 3.44Å; V423-F453 VanDerWaalsContact CG1-CZ 3.44Å; V423-F453 HydrophobicContact CG2-CE2 3.89Å; V423-F453 HydrophobicContact CG2-CZ 3.57Å
424E98.6Very high98.2Very high81 Ų8151.8 Ų51.838%0.37926%0.264SS..Hα-helixtrans-61.1-45.1177.3-75.1170.1173.200111.2Q420 T421 I422 V426 K427 E428 L452Q420-E424 HydrophobicContact CG-CG 4.35Å; Q420-E424 WeakPolarHBondContact CG-OE1 3.21Å; Q420-E424 PolarHBondContact NE2-OE1 3.37Å; Q420-E424 WeakPolarHBondContact O-CB 3.32Å; Q420-E424 WeakPolarHBondContact O-CG 3.43Å; Q420-E424 PolarHBondContact O-N 3.38Å; T421-E424 PolarHBondContact O-N 3.27Å; I422-E424 PolarHBondContact O-N 2.87Å; E424-V426 PolarHBondContact O-N 3.24Å; E424-K427 PolarHBondContact O-N 2.97Å; E424-E428 PolarHBondContact O-N 2.89Å; E424-L452 HydrophobicContact CG-CD1 4.1Å; E424-L452 HydrophobicContact CG-CD2 4.44Å
425Q98.5Very high98.2Very high75 Ų7551 Ų5135%0.3526%0.26SS..Hα-helixtrans-61.2-41.8175.7-69.1172100112.6L397 T421 I422 K427 E428L397-Q425 HydrophobicContact CD1-CB 4.24Å; L397-Q425 HydrophobicContact CD2-CB 4.02Å; T421-Q425 WeakPolarHBondContact O-CG 3.36Å; T421-Q425 PolarHBondContact O-N 2.87Å; T421-Q425 VanDerWaalsContact O-N 3.15Å; I422-Q425 PolarHBondContact O-N 3.13Å; Q425-K427 VanDerWaalsContact C-N 3.35Å; Q425-E428 PolarHBondContact O-N 3.43Å
426V98.6Very high98.3Very high0 Ų046.6 Ų46.60%024%0.236CC..Hα-helixtrans-67.6-37.5176.2169.10000111.3F392 L397 L400 V406 F408 I422 V423 E424 E428 K429 T430 I433F392-V426 HydrophobicContact CE1-CG2 4.09Å; F392-V426 HydrophobicContact CZ-CG2 3.97Å; L397-V426 HydrophobicContact CD1-CB 4.44Å; L397-V426 HydrophobicContact CD1-CG2 3.66Å; L400-V426 HydrophobicContact CD1-CB 4.49Å; L400-V426 HydrophobicContact CD1-CG1 4.08Å; L400-V426 HydrophobicContact CD1-CG2 4.06Å; V406-V426 HydrophobicContact CB-CG1 3.78Å; V406-V426 HydrophobicContact CG1-CG1 4.15Å; V406-V426 HydrophobicContact CG2-CG1 3.56Å; F408-V426 HydrophobicContact CE1-CG2 4.46Å; F408-V426 HydrophobicContact CE2-CG1 4.36Å; F408-V426 HydrophobicContact CZ-CB 3.89Å; F408-V426 HydrophobicContact CZ-CG1 4Å; F408-V426 HydrophobicContact CZ-CG2 3.86Å; I422-V426 WeakPolarHBondContact O-CG2 3.38Å; I422-V426 PolarHBondContact O-N 2.95Å; V423-V426 PolarHBondContact O-N 3.13Å; E424-V426 PolarHBondContact O-N 3.24Å; V426-E428 PolarHBondContact O-N 2.96Å; V426-K429 WeakPolarHBondContact O-CA 3.39Å; V426-K429 WeakPolarHBondContact O-CB 3.46Å; V426-K429 PolarHBondContact O-N 2.92Å; V426-T430 HydrophobicContact CG1-CG2 3.91Å; V426-T430 PolarHBondContact O-N 2.91Å; V426-I433 HydrophobicContact CG1-CG2 3.75Å
427K97.8Very high98.3Very high87 Ų8745 Ų4538%0.37823%0.228SC..Hα-helixtrans-64.5-25.2-179-172.555.4169.1-162.50112.8V423 E424 Q425 K429 S431 I433V423-K427 VanDerWaalsContact O-CB 3.31Å; V423-K427 WeakPolarHBondContact O-CB 3.44Å; V423-K427 PolarHBondContact O-N 3.15Å; E424-K427 PolarHBondContact O-N 2.97Å; Q425-K427 VanDerWaalsContact C-N 3.35Å; K427-K429 PolarHBondContact O-N 3.35Å; K427-S431 PolarHBondContact NZ-O 3.09Å; K427-I433 HydrophobicContact CB-CD1 4.36Å; K427-I433 HydrophobicContact CD-CD1 3.74Å; K427-I433 HydrophobicContact CD-CG1 4.12Å; K427-I433 HydrophobicContact CG-CD1 4.36Å
428E98.1Very high98.3Very high159 Ų15940.2 Ų40.274%0.74320%0.199SC*.THydrogen-bonded Turntrans-67-23170.9-66.4176.8-177.900112.9E424 Q425 V426E424-E428 PolarHBondContact O-N 2.89Å; Q425-E428 PolarHBondContact O-N 3.43Å; V426-E428 PolarHBondContact O-N 2.96Å
429K98.3Very high98.3Very high89 Ų8937.9 Ų37.939%0.38719%0.188SC..THydrogen-bonded Turntrans-99.5-43.7-177.2-57.1-63.7-175.5172.60113L400 V426 K427L400-K429 HydrophobicContact CB-CB 3.64Å; L400-K429 HydrophobicContact CB-CG 4.06Å; L400-K429 HydrophobicContact CD1-CB 4.43Å; V426-K429 WeakPolarHBondContact O-CA 3.39Å; V426-K429 WeakPolarHBondContact O-CB 3.46Å; V426-K429 PolarHBondContact O-N 2.92Å; K427-K429 PolarHBondContact O-N 3.35Å
430T98.1Very high98.1Very high2 Ų238.8 Ų38.81%0.01219%0.194CC..  trans-137142.6-178.6-179.60000112.3T401 E402 D404 V406 V426 H432 I433T401-T430 WeakPolarHBondContact O-CB 3.32Å; E402-T430 PolarHBondContact O-OG1 2.8Å; D404-T430 WeakPolarHBondContact O-CB 3.36Å; D404-T430 WeakPolarHBondContact O-CG2 3.47Å; D404-T430 PolarHBondContact O-OG1 3.28Å; V406-T430 HydrophobicContact CG2-CG2 4.16Å; V426-T430 HydrophobicContact CG1-CG2 3.91Å; V426-T430 PolarHBondContact O-N 2.91Å; T430-H432 VanDerWaalsContact C-N 3.34Å; T430-H432 PolarHBondContact OG1-N 3.39Å; T430-H432 VanDerWaalsContact OG1-N 3.07Å; T430-I433 HydrophobicContact CG2-CG2 4.32Å
431S96.6Very high97.9Very high75 Ų7540.7 Ų40.752%0.52421%0.209SC..SBendtrans-80.7-18.4172.575.20000112.7K427 I433K427-S431 PolarHBondContact NZ-O 3.09Å; S431-I433 VanDerWaalsContact C-N 3.27Å; S431-I433 PolarHBondContact O-N 2.79Å
432H97.6Very high97.6Very high66 Ų6641.3 Ų41.331%0.30623%0.227SC..  trans-82.665.5-174.7-57.1-54.6000111.9E402 D404 T405 V406 T430E402-H432 PolarHBondContact O-CD2 3.05Å; E402-H432 PolarHBondContact O-NE2 3.11Å; D404-H432 WeakPolarHBondContact O-CB 3.4Å; T405-H432 WeakPolarHBondContact CA-O 3.39Å; V406-H432 PolarHBondContact N-O 3.09Å; T430-H432 VanDerWaalsContact C-N 3.34Å; T430-H432 PolarHBondContact OG1-N 3.39Å; T430-H432 VanDerWaalsContact OG1-N 3.07Å
433I98.3Very high97.5Very high20 Ų2044.1 Ų44.110%0.10324%0.241CC..EExtended strand (participates in β ladder)trans-107.2141.317562.3165.2000111V406 F408 V423 V426 K427 T430 S431 F453V406-I433 WeakPolarHBondContact O-CA 3.46Å; F408-I433 HydrophobicContact CE2-CB 4.21Å; F408-I433 HydrophobicContact CE2-CG2 4.11Å; V423-I433 HydrophobicContact CG1-CD1 3.87Å; V426-I433 HydrophobicContact CG1-CG2 3.75Å; K427-I433 HydrophobicContact CB-CD1 4.36Å; K427-I433 HydrophobicContact CD-CD1 3.74Å; K427-I433 HydrophobicContact CD-CG1 4.12Å; K427-I433 HydrophobicContact CG-CD1 4.36Å; T430-I433 HydrophobicContact CG2-CG2 4.32Å; S431-I433 VanDerWaalsContact C-N 3.27Å; S431-I433 PolarHBondContact O-N 2.79Å; I433-F453 HydrophobicContact CB-CE1 4.12Å; I433-F453 HydrophobicContact CD1-CD1 4.3Å; I433-F453 HydrophobicContact CD1-CE1 3.8Å; I433-F453 HydrophobicContact CD1-CZ 4.36Å; I433-F453 HydrophobicContact CG1-CD1 4.48Å; I433-F453 HydrophobicContact CG1-CE1 4.08Å
434Q98.4Very high97.3Very high16 Ų1649.2 Ų49.28%0.07527%0.272CS..EExtended strand (participates in β ladder)trans-141.4157.3171-17655.1-8500109.9L316 V406 V407 F408 S455L316-Q434 HydrophobicContact CD1-CB 3.94Å; L316-Q434 HydrophobicContact CD1-CG 3.99Å; L316-Q434 HydrophobicContact CD2-CG 4.37Å; V406-Q434 PolarHBondContact O-N 2.9Å; V407-Q434 CarbonylContact C-O 3.55Å; V407-Q434 WeakPolarHBondContact CA-O 3.25Å; F408-Q434 PolarHBondContact N-O 2.81Å; Q434-S455 PolarHBondContact NE2-O 3.4Å; Q434-S455 PolarHBondContact NE2-OG 3.35Å; Q434-S455 PolarHBondContact OE1-O 3.21Å
435A98.7Very high97.2Very high0 Ų046 Ų460%026%0.257CS..EExtended strand (participates in β ladder)trans-128.8143.5173.700000113F408 F410 F453 I456 I457F408-A435 HydrophobicContact CB-CB 4.27Å; F408-A435 CarbonylContact O-C 3.6Å; F408-A435 WeakPolarHBondContact O-CA 3.43Å; F410-A435 HydrophobicContact CE1-CB 3.86Å; F410-A435 HydrophobicContact CZ-CB 4.48Å; A435-F453 HydrophobicContact CB-CD1 3.79Å; A435-F453 HydrophobicContact CB-CD2 3.9Å; A435-F453 HydrophobicContact CB-CE1 3.78Å; A435-F453 HydrophobicContact CB-CE2 3.89Å; A435-F453 HydrophobicContact CB-CG 3.84Å; A435-F453 HydrophobicContact CB-CZ 3.82Å; A435-I456 HydrophobicContact CB-CD1 3.85Å; A435-I456 HydrophobicContact CB-CG1 3.87Å; A435-I456 WeakPolarHBondContact O-CG1 3.26Å; A435-I457 PolarHBondContact O-N 3.36Å
436L98.8Very high97.1Very high1 Ų144.7 Ų44.71%0.00526%0.255CS..EExtended strand (participates in β ladder)trans-107.5104.9162.217362.5000107.6F408 I409 F410 I457 I459 T482 V485F408-L436 PolarHBondContact O-N 2.98Å; I409-L436 WeakPolarHBondContact CA-O 3.34Å; I409-L436 HydrophobicContact CG1-CB 4.22Å; I409-L436 HydrophobicContact CG2-CB 4.31Å; I409-L436 HydrophobicContact CG2-CD2 4.05Å; I409-L436 HydrophobicContact CG2-CG 4.24Å; F410-L436 PolarHBondContact N-O 3.36Å; F410-L436 VanDerWaalsContact N-O 3.15Å; L436-I457 WeakPolarHBondContact CA-O 3.34Å; L436-I457 HydrophobicContact CD1-CB 3.94Å; L436-I457 HydrophobicContact CD1-CG2 3.56Å; L436-I459 HydrophobicContact CD1-CD1 3.63Å; L436-I459 HydrophobicContact CD1-CG1 3.94Å; L436-T482 HydrophobicContact CD2-CG2 4.17Å; L436-V485 HydrophobicContact CD2-CB 4.15Å; L436-V485 HydrophobicContact CD2-CG1 4.22Å; L436-V485 HydrophobicContact CD2-CG2 4.29Å
437A98.6Very high97Very high2 Ų250.1 Ų50.12%0.01728%0.283CS..EExtended strand (participates in β ladder)trans-109.8124.1-178.800000110.8F410 I456 I457 I459F410-A437 HydrophobicContact CD2-CB 4.46Å; F410-A437 HydrophobicContact CE1-CB 4.49Å; F410-A437 HydrophobicContact CE2-CB 3.91Å; F410-A437 HydrophobicContact CZ-CB 3.93Å; F410-A437 WeakPolarHBondContact O-CA 3.42Å; A437-I456 HydrophobicContact CB-CD1 3.58Å; A437-I456 HydrophobicContact CB-CG1 4.33Å; A437-I457 PolarHBondContact N-O 3.46Å; A437-I459 PolarHBondContact O-N 2.98Å
438H98.7Very high96.9Very high0 Ų048.6 Ų48.60%028%0.282CS..EExtended strand (participates in β ladder)trans-94133.9171.9-62.8-71.2000111F410 T411 L412 I459 W461 R478 T482F410-H438 PolarHBondContact O-N 2.72Å; T411-H438 CarbonylContact C-O 3.57Å; T411-H438 VanDerWaalsContact CA-O 3.25Å; T411-H438 WeakPolarHBondContact CA-O 3.35Å; T411-H438 HydrophobicContact CG2-CB 4.28Å; L412-H438 PolarHBondContact N-O 2.92Å; H438-I459 WeakPolarHBondContact CA-O 3.26Å; H438-W461 AromaticContact CG-NE1 3.66Å; H438-W461 AromaticContact ND1-CE2 3.77Å; H438-W461 AromaticContact ND1-CZ2 3.85Å; H438-W461 AromaticContact ND1-NE1 3.09Å; H438-W461 PolarHBondContact ND1-NE1 2.91Å; H438-R478 HydrophobicContact CB-CB 4.49Å; H438-R478 HydrophobicContact CB-CG 3.88Å; H438-R478 PolarHBondContact NE2-O 3.05Å; H438-T482 PolarHBondContact NE2-OG1 3.36Å
439S97.2Very high96.9Very high3 Ų341 Ų412%0.02125%0.246CC..EExtended strand (participates in β ladder)trans-133.3154.9176.562.30000111L412 I459 T460 W461L412-S439 VanDerWaalsContact CD1-CB 3.45Å; S439-I459 PolarHBondContact N-O 3.32Å; S439-T460 CarbonylContact O-C 3.49Å; S439-T460 WeakPolarHBondContact O-CA 3.5Å; S439-T460 PolarHBondContact OG-OG1 3.47Å; S439-W461 VanDerWaalsContact O-CD1 3.23Å; S439-W461 PolarHBondContact O-N 3.27Å
440T94.9Very high96.8Very high19 Ų1941.7 Ų41.712%0.11725%0.249CC..EExtended strand (participates in β ladder)trans-92.5144.7165.9-580000108.9G442 Q443 W461 L463 Q474 R478T440-G442 PolarHBondContact O-N 3.24Å; T440-Q443 WeakPolarHBondContact O-CB 3.31Å; T440-Q443 PolarHBondContact O-N 3.47Å; T440-W461 WeakPolarHBondContact CA-O 3.17Å; T440-L463 HydrophobicContact CG2-CD2 3.43Å; T440-L463 VanDerWaalsContact CG2-CD2 3.43Å; T440-L463 HydrophobicContact CG2-CG 3.83Å; T440-Q474 PolarHBondContact OG1-NE2 2.83Å; T440-R478 PolarHBondContact OG1-NH2 3.09Å
441V93.8Very high96.7Very high90 Ų9049.5 Ų49.555%0.54528%0.283SS..THydrogen-bonded Turntrans-46.7128.9176.71700000110.6T460 W461V441-T460 HydrophobicContact CB-CG2 4.43Å; V441-T460 HydrophobicContact CG2-CG2 3.74Å; V441-W461 WeakPolarHBondContact CG2-O 3.46Å; V441-W461 PolarHBondContact N-O 2.98Å
442G93.2Very high96.7Very high76 Ų7647.6 Ų47.678%0.78427%0.267SS*.THydrogen-bonded Turntrans102-22.4-176.300000114T440T440-G442 PolarHBondContact O-N 3.24Å
443Q95.5Very high96.6Very high66 Ų6644.6 Ų44.631%0.30825%0.253SS..  trans-81.1150.5173.2-61.1177.3-45.400111.1L412 D413 T440L412-Q443 HydrophobicContact CB-CB 4.36Å; L412-Q443 HydrophobicContact CD1-CB 3.81Å; D413-Q443 PolarHBondContact OD1-NE2 3.08Å; T440-Q443 WeakPolarHBondContact O-CB 3.31Å; T440-Q443 PolarHBondContact O-N 3.47Å
444T95.2Very high96.1Very high107 Ų10749.2 Ų49.266%0.65628%0.284SS*.  trans-135.6141.9176660000110.8
445L95.9Very high95.8Very high14 Ų1451.5 Ų51.57%0.07330%0.302CS..  trans-63.5133.3177.6-172.373.4000110.3F410 L412 L449 K450 I456F410-L445 HydrophobicContact CE2-CD1 4.02Å; F410-L445 HydrophobicContact CZ-CD1 4.15Å; L412-L445 HydrophobicContact CD2-CD1 3.55Å; L445-L449 HydrophobicContact CD1-CB 3.87Å; L445-L449 HydrophobicContact CD1-CD1 3.96Å; L445-L449 HydrophobicContact CD2-CB 4.07Å; L445-L449 HydrophobicContact CG-CB 3.85Å; L445-K450 HydrophobicContact CB-CG 3.95Å; L445-K450 HydrophobicContact CD2-CB 4.45Å; L445-K450 HydrophobicContact CD2-CG 3.72Å; L445-K450 HydrophobicContact CG-CG 4.01Å; L445-K450 WeakPolarHBondContact O-CD 3.37Å; L445-K450 WeakPolarHBondContact O-CE 3.25Å; L445-K450 PolarHBondContact O-NZ 2.86Å; L445-I456 HydrophobicContact CD1-CD1 4.42Å; L445-I456 HydrophobicContact CD2-CD1 3.55Å; L445-I456 HydrophobicContact CD2-CG2 4.46Å
446P96.6Very high95.7Very high46 Ų4652.4 Ų52.430%0.29931%0.306SS..  trans-55.5147.9175.7-27.835.4000113.2L416 L449 K450L416-P446 HydrophobicContact CD1-CG 3.55Å; P446-L449 HydrophobicContact CG-CD1 4.37Å; P446-L449 PolarHBondContact O-N 3.47Å; P446-K450 PolarHBondContact O-N 2.92Å
447I96.6Very high95.7Very high115 Ų11552.3 Ų52.359%0.5931%0.306SS*.Hα-helixtrans-55.8-43.7-178.5-61.9174.2000112.7L449 K450 K451I447-L449 PolarHBondContact O-N 2.94Å; I447-K450 PolarHBondContact O-N 3.02Å; I447-K451 HydrophobicContact CG2-CD 4.36Å; I447-K451 WeakPolarHBondContact O-CG 3.27Å; I447-K451 PolarHBondContact O-N 3.22Å
448P96.9Very high95.7Very high54 Ų5454.4 Ų54.435%0.35132%0.32SS..Hα-helixtrans-58.4-46.9177.5-25.335.7000112.6K450 K451 L452P448-K450 PolarHBondContact O-N 2.85Å; P448-K451 WeakPolarHBondContact O-CB 3.48Å; P448-K451 PolarHBondContact O-N 3.28Å; P448-K451 VanDerWaalsContact O-N 3.15Å; P448-L452 PolarHBondContact O-N 3.36Å
449L97Very high95.7Very high0 Ų054.5 Ų54.50%032%0.321CS..Hα-helixtrans-66.4-36.5177.3-70175.5000112.5F410 L416 V419 Q420 L445 P446 I447 K451 L452 F453F410-L449 HydrophobicContact CE2-CD1 4.41Å; F410-L449 HydrophobicContact CZ-CD1 4.42Å; L416-L449 HydrophobicContact CB-CD1 4.18Å; L416-L449 HydrophobicContact CD2-CD1 4.34Å; V419-L449 HydrophobicContact CG1-CD1 4.42Å; V419-L449 HydrophobicContact CG1-CD2 4.09Å; Q420-L449 HydrophobicContact CB-CD2 3.94Å; Q420-L449 HydrophobicContact CB-CG 4.46Å; Q420-L449 HydrophobicContact CG-CD2 4.4Å; L445-L449 HydrophobicContact CD1-CB 3.87Å; L445-L449 HydrophobicContact CD1-CD1 3.96Å; L445-L449 HydrophobicContact CD2-CB 4.07Å; L445-L449 HydrophobicContact CG-CB 3.85Å; P446-L449 HydrophobicContact CG-CD1 4.37Å; P446-L449 PolarHBondContact O-N 3.47Å; I447-L449 PolarHBondContact O-N 2.94Å; L449-K451 VanDerWaalsContact C-N 3.27Å; L449-K451 PolarHBondContact O-N 3.49Å; L449-L452 HydrophobicContact CD2-CD1 4.23Å; L449-L452 PolarHBondContact O-N 3.19Å; L449-F453 HydrophobicContact CD2-CE2 4.2Å; L449-F453 WeakPolarHBondContact O-CD2 3.29Å; L449-F453 PolarHBondContact O-N 3.36Å
450K95.7Very high95.7Very high103 Ų10357.6 Ų57.645%0.44834%0.34SS..Hα-helixtrans-60.3-36.6171.8-76.6176.8171.3161.10112.5L445 P446 I447 P448 F453L445-K450 HydrophobicContact CB-CG 3.95Å; L445-K450 HydrophobicContact CD2-CB 4.45Å; L445-K450 HydrophobicContact CD2-CG 3.72Å; L445-K450 HydrophobicContact CG-CG 4.01Å; L445-K450 WeakPolarHBondContact O-CD 3.37Å; L445-K450 WeakPolarHBondContact O-CE 3.25Å; L445-K450 PolarHBondContact O-NZ 2.86Å; P446-K450 PolarHBondContact O-N 2.92Å; I447-K450 PolarHBondContact O-N 3.02Å; P448-K450 PolarHBondContact O-N 2.85Å; K450-F453 CarbonylContact O-C 3.4Å
451K95.9Very high95.7Very high166 Ų16656.8 Ų56.872%0.72234%0.335SS*.Hα-helixtrans-71.9-38.6176.5-71.2177.8177.6-1780111.9I447 P448 L449 F453I447-K451 HydrophobicContact CG2-CD 4.36Å; I447-K451 WeakPolarHBondContact O-CG 3.27Å; I447-K451 PolarHBondContact O-N 3.22Å; P448-K451 WeakPolarHBondContact O-CB 3.48Å; P448-K451 PolarHBondContact O-N 3.28Å; P448-K451 VanDerWaalsContact O-N 3.15Å; L449-K451 VanDerWaalsContact C-N 3.27Å; L449-K451 PolarHBondContact O-N 3.49Å; K451-F453 VanDerWaalsContact C-N 3.35Å
452L96.7Very high95.6Very high35 Ų3555.2 Ų55.218%0.18333%0.327CS..Hα-helixtrans-67.4-35.2176.1-72.6166.3000112.2Q420 V423 E424 P448 L449 P454Q420-L452 HydrophobicContact CG-CD1 4.1Å; V423-L452 HydrophobicContact CB-CD1 4.48Å; V423-L452 HydrophobicContact CG1-CB 4.25Å; V423-L452 HydrophobicContact CG1-CD1 3.92Å; V423-L452 HydrophobicContact CG1-CD2 4.37Å; V423-L452 HydrophobicContact CG1-CG 4.41Å; E424-L452 HydrophobicContact CG-CD1 4.1Å; E424-L452 HydrophobicContact CG-CD2 4.44Å; P448-L452 PolarHBondContact O-N 3.36Å; L449-L452 HydrophobicContact CD2-CD1 4.23Å; L449-L452 PolarHBondContact O-N 3.19Å; L452-P454 WeakPolarHBondContact O-CD 3.5Å
453F96.4Very high95.2Very high4 Ų456.5 Ų56.52%0.01832%0.315CS..  trans-121.975.8-177.5-57.6-69.5000112.7F408 V423 I433 A435 L449 K450 K451 S455 I456F408-F453 HydrophobicContact CB-CZ 4.43Å; F408-F453 AromaticContact CD2-CE1 3.97Å; F408-F453 HydrophobicContact CD2-CE1 3.97Å; F408-F453 AromaticContact CD2-CZ 3.67Å; F408-F453 HydrophobicContact CD2-CZ 3.67Å; F408-F453 HydrophobicContact CE2-CZ 4.25Å; F408-F453 HydrophobicContact CG-CZ 4.24Å; V423-F453 HydrophobicContact CB-CE2 4.45Å; V423-F453 HydrophobicContact CB-CZ 4.18Å; V423-F453 HydrophobicContact CG1-CE1 4.24Å; V423-F453 HydrophobicContact CG1-CE2 3.82Å; V423-F453 HydrophobicContact CG1-CZ 3.44Å; V423-F453 VanDerWaalsContact CG1-CZ 3.44Å; V423-F453 HydrophobicContact CG2-CE2 3.89Å; V423-F453 HydrophobicContact CG2-CZ 3.57Å; I433-F453 HydrophobicContact CB-CE1 4.12Å; I433-F453 HydrophobicContact CD1-CD1 4.3Å; I433-F453 HydrophobicContact CD1-CE1 3.8Å; I433-F453 HydrophobicContact CD1-CZ 4.36Å; I433-F453 HydrophobicContact CG1-CD1 4.48Å; I433-F453 HydrophobicContact CG1-CE1 4.08Å; A435-F453 HydrophobicContact CB-CD1 3.79Å; A435-F453 HydrophobicContact CB-CD2 3.9Å; A435-F453 HydrophobicContact CB-CE1 3.78Å; A435-F453 HydrophobicContact CB-CE2 3.89Å; A435-F453 HydrophobicContact CB-CG 3.84Å; A435-F453 HydrophobicContact CB-CZ 3.82Å; L449-F453 HydrophobicContact CD2-CE2 4.2Å; L449-F453 WeakPolarHBondContact O-CD2 3.29Å; L449-F453 PolarHBondContact O-N 3.36Å; K450-F453 CarbonylContact O-C 3.4Å; K451-F453 VanDerWaalsContact C-N 3.35Å; F453-S455 PolarHBondContact O-N 3.06Å; F453-I456 HydrophobicContact CB-CB 3.85Å; F453-I456 HydrophobicContact CB-CD1 4.25Å; F453-I456 HydrophobicContact CB-CG1 4.27Å; F453-I456 PolarHBondContact O-N 3.17Å
454P87.1Confident94.7Very high116 Ų11654.9 Ų54.975%0.75331%0.308SS*.THydrogen-bonded Turntrans-65.1-26.7-179.426.3-34.6000113.1L452L452-P454 WeakPolarHBondContact O-CD 3.5Å
455S92.9Very high94Very high64 Ų6458.6 Ų58.645%0.44832%0.315SS..THydrogen-bonded Turntrans-111.732.7-179.558.10000113.1Q434 F453Q434-S455 PolarHBondContact NE2-O 3.4Å; Q434-S455 PolarHBondContact NE2-OG 3.35Å; Q434-S455 PolarHBondContact OE1-O 3.21Å; F453-S455 PolarHBondContact O-N 3.06Å
456I96.7Very high93Very high19 Ų1960.5 Ų60.510%0.09732%0.323CS..  trans-55.6139.1-176.5-165.3167.4000113.7K312 A435 A437 L445 F453 S458K312-I456 WeakPolarHBondContact CD-O 3.18Å; K312-I456 WeakPolarHBondContact CE-O 3.24Å; K312-I456 PolarHBondContact NZ-O 3.38Å; A435-I456 HydrophobicContact CB-CD1 3.85Å; A435-I456 HydrophobicContact CB-CG1 3.87Å; A435-I456 WeakPolarHBondContact O-CG1 3.26Å; A437-I456 HydrophobicContact CB-CD1 3.58Å; A437-I456 HydrophobicContact CB-CG1 4.33Å; L445-I456 HydrophobicContact CD1-CD1 4.42Å; L445-I456 HydrophobicContact CD2-CD1 3.55Å; L445-I456 HydrophobicContact CD2-CG2 4.46Å; F453-I456 HydrophobicContact CB-CB 3.85Å; F453-I456 HydrophobicContact CB-CD1 4.25Å; F453-I456 HydrophobicContact CB-CG1 4.27Å; F453-I456 PolarHBondContact O-N 3.17Å; I456-S458 PolarHBondContact O-N 3.28Å; I456-S458 VanDerWaalsContact O-N 3.16Å
457I98.4Very high91.8Very high0 Ų066.8 Ų66.80%035%0.349CS..EExtended strand (participates in β ladder)trans-80.291165.7-51.1176.7000107.5Q309 K312 L316 A435 L436 A437 I459Q309-I457 HydrophobicContact CB-CG2 3.96Å; Q309-I457 HydrophobicContact CG-CG2 4.13Å; K312-I457 HydrophobicContact CB-CD1 4.38Å; K312-I457 HydrophobicContact CB-CG1 3.77Å; K312-I457 HydrophobicContact CD-CG1 4.38Å; L316-I457 HydrophobicContact CB-CD1 4.25Å; L316-I457 HydrophobicContact CD2-CD1 3.76Å; A435-I457 PolarHBondContact O-N 3.36Å; L436-I457 WeakPolarHBondContact CA-O 3.34Å; L436-I457 HydrophobicContact CD1-CB 3.94Å; L436-I457 HydrophobicContact CD1-CG2 3.56Å; A437-I457 PolarHBondContact N-O 3.46Å; I457-I459 HydrophobicContact CG2-CD1 4.5Å; I457-I459 HydrophobicContact CG2-CG1 4.26Å
458S97.8Very high90.4Very high45 Ų4563 Ų6332%0.31533%0.327SS..EExtended strand (participates in β ladder)trans-95.2114.4178.8179.70000109.8I456I456-S458 PolarHBondContact O-N 3.28Å; I456-S458 VanDerWaalsContact O-N 3.16Å
459I98.3Very high89.4Confident2 Ų260.7 Ų60.71%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-107.5115.5177.2-59.6-172.2000109V305 T306 Q309 L436 A437 H438 S439 I457 W461 S481V305-I459 HydrophobicContact CG1-CG2 3.37Å; T306-I459 HydrophobicContact CG2-CD1 4.48Å; Q309-I459 HydrophobicContact CG-CG1 4.07Å; L436-I459 HydrophobicContact CD1-CD1 3.63Å; L436-I459 HydrophobicContact CD1-CG1 3.94Å; A437-I459 PolarHBondContact O-N 2.98Å; H438-I459 WeakPolarHBondContact CA-O 3.26Å; S439-I459 PolarHBondContact N-O 3.32Å; I457-I459 HydrophobicContact CG2-CD1 4.5Å; I457-I459 HydrophobicContact CG2-CG1 4.26Å; I459-W461 HydrophobicContact CG2-CD2 4.3Å; I459-W461 HydrophobicContact CG2-CH2 4.33Å; I459-W461 HydrophobicContact CG2-CZ2 3.6Å; I459-S481 VanDerWaalsContact CD1-OG 3.25Å; I459-S481 WeakPolarHBondContact CD1-OG 3.41Å
460T97.3Very high88.5Confident69 Ų6960.9 Ų60.942%0.42331%0.313SS..EExtended strand (participates in β ladder)trans-102.3125.4-179-510000110.6S439 V441S439-T460 CarbonylContact O-C 3.49Å; S439-T460 WeakPolarHBondContact O-CA 3.5Å; S439-T460 PolarHBondContact OG-OG1 3.47Å; V441-T460 HydrophobicContact CB-CG2 4.43Å; V441-T460 HydrophobicContact CG2-CG2 3.74Å
461W95.9Very high87.9Confident1 Ų162.7 Ų62.70%0.00433%0.328CS..EExtended strand (participates in β ladder)trans-104134.1-176-60.9101.7000111.2A302 V305 H438 S439 T440 V441 I459 Q477 S481A302-W461 HydrophobicContact CB-CH2 3.81Å; A302-W461 HydrophobicContact CB-CZ3 3.72Å; V305-W461 HydrophobicContact CB-CZ3 4.16Å; V305-W461 HydrophobicContact CG1-CD2 4.42Å; V305-W461 HydrophobicContact CG1-CE3 4.06Å; V305-W461 HydrophobicContact CG1-CH2 4.1Å; V305-W461 HydrophobicContact CG1-CZ2 4.45Å; V305-W461 HydrophobicContact CG1-CZ3 3.92Å; H438-W461 AromaticContact CG-NE1 3.66Å; H438-W461 AromaticContact ND1-CE2 3.77Å; H438-W461 AromaticContact ND1-CZ2 3.85Å; H438-W461 AromaticContact ND1-NE1 3.09Å; H438-W461 PolarHBondContact ND1-NE1 2.91Å; S439-W461 VanDerWaalsContact O-CD1 3.23Å; S439-W461 PolarHBondContact O-N 3.27Å; T440-W461 WeakPolarHBondContact CA-O 3.17Å; V441-W461 WeakPolarHBondContact CG2-O 3.46Å; V441-W461 PolarHBondContact N-O 2.98Å; I459-W461 HydrophobicContact CG2-CD2 4.3Å; I459-W461 HydrophobicContact CG2-CH2 4.33Å; I459-W461 HydrophobicContact CG2-CZ2 3.6Å; W461-Q477 HydrophobicContact CD2-CG 4.06Å; W461-Q477 HydrophobicContact CE3-CB 4.4Å; W461-Q477 HydrophobicContact CE3-CG 3.69Å; W461-Q477 HydrophobicContact CH2-CB 4.07Å; W461-Q477 HydrophobicContact CH2-CG 4.04Å; W461-Q477 WeakPolarHBondContact CH2-O 3.15Å; W461-Q477 HydrophobicContact CZ2-CG 4.38Å; W461-Q477 HydrophobicContact CZ3-CB 3.86Å; W461-Q477 HydrophobicContact CZ3-CG 3.65Å; W461-S481 VanDerWaalsContact CZ2-CB 3.45Å
462P91.4Very high87.6Confident58 Ų5856.5 Ų56.538%0.37730%0.301SS..PPolyproline II helixtrans-62.1154.9171.528.3-33.7000110.6L464 Q474P462-L464 PolarHBondContact O-N 3.32Å; P462-Q474 PolarHBondContact O-NE2 3.24Å; P462-Q474 PolarHBondContact O-OE1 2.93Å
463L85.4Confident87.3Confident103 Ų10354.9 Ų54.954%0.53929%0.293SS..PPolyproline II helixtrans-67.2131.1168.6-77.3166000109.3T440 F465T440-L463 HydrophobicContact CG2-CD2 3.43Å; T440-L463 VanDerWaalsContact CG2-CD2 3.43Å; T440-L463 HydrophobicContact CG2-CG 3.83Å; L463-F465 HydrophobicContact CB-CE2 4.21Å; L463-F465 HydrophobicContact CB-CZ 4.07Å
464L85.5Confident87.1Confident32 Ų3255.4 Ų55.417%0.16830%0.295CS..PPolyproline II helixtrans-96.7120173.8-63.5178.2000109.1T298 P462 F466 V473 Q474T298-L464 HydrophobicContact CG2-CD1 3.97Å; T298-L464 HydrophobicContact CG2-CD2 4.1Å; P462-L464 PolarHBondContact O-N 3.32Å; L464-F466 VanDerWaalsContact C-N 3.26Å; L464-F466 HydrophobicContact CB-CD2 3.94Å; L464-F466 HydrophobicContact CB-CE2 4.41Å; L464-F466 HydrophobicContact CD1-CD2 4.38Å; L464-F466 HydrophobicContact CD1-CE2 4.45Å; L464-F466 HydrophobicContact CD2-CE2 4.14Å; L464-F466 PolarHBondContact O-N 2.88Å; L464-V473 HydrophobicContact CD1-CB 3.93Å; L464-V473 HydrophobicContact CD1-CG1 3.63Å; L464-Q474 HydrophobicContact CD1-CB 4.48Å
465F79.2Confident87.5Confident184 Ų18452.3 Ų52.381%0.80727%0.27SS*.  trans-92.635.7178.6-60.3-78.7000112.5L463L463-F465 HydrophobicContact CB-CE2 4.21Å; L463-F465 HydrophobicContact CB-CZ 4.07Å
466F75Confident87.7Confident54 Ų5449.3 Ų49.324%0.23725%0.249CC..  trans-80.8120.4169.1-61.8-66.7000108.5E294 L464 Y468 G470E294-F466 HydrophobicContact CB-CE1 4.48Å; L464-F466 VanDerWaalsContact C-N 3.26Å; L464-F466 HydrophobicContact CB-CD2 3.94Å; L464-F466 HydrophobicContact CB-CE2 4.41Å; L464-F466 HydrophobicContact CD1-CD2 4.38Å; L464-F466 HydrophobicContact CD1-CE2 4.45Å; L464-F466 HydrophobicContact CD2-CE2 4.14Å; L464-F466 PolarHBondContact O-N 2.88Å; F466-Y468 PolarHBondContact O-N 2.86Å; F466-G470 WeakPolarHBondContact O-CA 3.4Å; F466-G470 PolarHBondContact O-N 2.77Å
467E70.6Confident87.8Confident178 Ų17848.5 Ų48.583%0.83224%0.244SC*.THydrogen-bonded Turntrans-53.6-51.6-172.9-66.2-178.4166.600113.5Q283Q283-E467 PolarHBondContact NE2-OE2 3.02Å
468Y67.3Low87.8Confident37 Ų3749.6 Ų49.615%0.14525%0.249CC..THydrogen-bonded Turntrans-102.1-41.8-173.5173.8-90.1000113.3L128 H278 K279 D282 Q283 F466L128-Y468 HydrophobicContact CD1-CE2 3.75Å; L128-Y468 WeakPolarHBondContact CD1-OH 3.48Å; L128-Y468 HydrophobicContact CD2-CE2 4.2Å; H278-Y468 HydrophobicContact CB-CE1 4.26Å; K279-Y468 HydrophobicContact CB-CD1 4.39Å; D282-Y468 HydrophobicContact CB-CD2 4.29Å; D282-Y468 HydrophobicContact CB-CE2 3.54Å; D282-Y468 WeakPolarHBondContact OD2-CE2 3.3Å; D282-Y468 PolarHBondContact OD2-OH 3.04Å; Q283-Y468 HydrophobicContact CG-CD2 4.35Å; Q283-Y468 HydrophobicContact CG-CG 4.19Å; F466-Y468 PolarHBondContact O-N 2.86Å
469E75.8Confident87.8Confident5 Ų547.4 Ų47.42%0.02323%0.234CC..THydrogen-bonded Turntrans-90.3-11-173.3-56.2-174.9-171.600114.1L275 K279 I295 N471 F472 V473L275-E469 HydrophobicContact CD2-CB 4.28Å; L275-E469 HydrophobicContact CD2-CG 4.14Å; K279-E469 WeakPolarHBondContact CB-OE1 3.48Å; K279-E469 HydrophobicContact CD-CG 4.47Å; K279-E469 WeakPolarHBondContact CD-OE1 3.3Å; I295-E469 WeakPolarHBondContact CD1-OE2 3.36Å; E469-N471 VanDerWaalsContact C-N 3.34Å; E469-N471 PolarHBondContact O-N 3.2Å; E469-F472 PolarHBondContact O-N 2.81Å; E469-V473 HydrophobicContact CB-CG2 4Å; E469-V473 WeakPolarHBondContact O-CG2 3.36Å; E469-V473 PolarHBondContact O-N 2.7Å
470G78.6Confident87.8Confident3 Ų347.3 Ų47.33%0.03123%0.233CC..Hα-helixtrans-55.6-44.6-16600000113.9F466 F472 Q474F466-G470 WeakPolarHBondContact O-CA 3.4Å; F466-G470 PolarHBondContact O-N 2.77Å; G470-F472 PolarHBondContact O-N 2.99Å; G470-Q474 VanDerWaalsContact O-CB 3.3Å; G470-Q474 WeakPolarHBondContact O-CB 3.4Å; G470-Q474 PolarHBondContact O-N 2.97Å
471N84.4Confident87.9Confident141 Ų14144 Ų4475%0.75421%0.213SC*.Hα-helixtrans-66.9-35.8179-66.8-22000112.7E469 Q474 K475E469-N471 VanDerWaalsContact C-N 3.34Å; E469-N471 PolarHBondContact O-N 3.2Å; N471-Q474 WeakPolarHBondContact O-CB 3.47Å; N471-K475 PolarHBondContact O-N 3.34Å; N471-K475 VanDerWaalsContact O-N 3.14Å
472F88.3Confident88.1Confident37 Ų3744 Ų4416%0.16221%0.213CC..Hα-helixtrans-76-44.3179.3-64.6-75.5000111.4L124 L275 E469 G470 Q474 K475 F476L124-F472 HydrophobicContact CB-CD1 4.03Å; L124-F472 HydrophobicContact CB-CE1 3.48Å; L124-F472 VanDerWaalsContact CB-CE1 3.48Å; L124-F472 HydrophobicContact CB-CE2 4.32Å; L124-F472 HydrophobicContact CB-CZ 3.66Å; L124-F472 HydrophobicContact CD1-CD1 4Å; L124-F472 HydrophobicContact CD1-CD2 3.75Å; L124-F472 HydrophobicContact CD1-CE1 4.11Å; L124-F472 HydrophobicContact CD1-CE2 3.86Å; L124-F472 HydrophobicContact CD1-CG 3.83Å; L124-F472 HydrophobicContact CD1-CZ 4.05Å; L124-F472 HydrophobicContact CG-CD1 4.23Å; L124-F472 HydrophobicContact CG-CD2 4.13Å; L124-F472 HydrophobicContact CG-CE1 3.81Å; L124-F472 HydrophobicContact CG-CE2 3.69Å; L124-F472 HydrophobicContact CG-CG 4.38Å; L124-F472 HydrophobicContact CG-CZ 3.53Å; L275-F472 HydrophobicContact CD2-CB 4.17Å; E469-F472 PolarHBondContact O-N 2.81Å; G470-F472 PolarHBondContact O-N 2.99Å; F472-Q474 PolarHBondContact O-N 2.88Å; F472-K475 WeakPolarHBondContact O-CA 3.3Å; F472-K475 WeakPolarHBondContact O-CB 3.45Å; F472-K475 PolarHBondContact O-N 3.03Å; F472-F476 HydrophobicContact CB-CE2 4.12Å; F472-F476 HydrophobicContact CB-CZ 4.2Å; F472-F476 WeakPolarHBondContact O-CB 3.42Å; F472-F476 WeakPolarHBondContact O-CD1 3.33Å; F472-F476 WeakPolarHBondContact O-CD2 3.33Å; F472-F476 WeakPolarHBondContact O-CG 3.43Å; F472-F476 PolarHBondContact O-N 2.77Å
473V90.9Very high88.4Confident0 Ų041.6 Ų41.60%020%0.196CC..Hα-helixtrans-59.3-38.2173.3179.50000110.4L275 T298 L464 E469 K475 F476 Q477L275-V473 HydrophobicContact CD1-CG2 3.67Å; T298-V473 HydrophobicContact CG2-CG1 3.47Å; T298-V473 VanDerWaalsContact CG2-CG1 3.47Å; L464-V473 HydrophobicContact CD1-CB 3.93Å; L464-V473 HydrophobicContact CD1-CG1 3.63Å; E469-V473 HydrophobicContact CB-CG2 4Å; E469-V473 WeakPolarHBondContact O-CG2 3.36Å; E469-V473 PolarHBondContact O-N 2.7Å; V473-K475 PolarHBondContact O-N 2.96Å; V473-F476 PolarHBondContact O-N 3.46Å; V473-Q477 WeakPolarHBondContact O-CG 3.36Å; V473-Q477 PolarHBondContact O-N 3.33Å
474Q92.9Very high89.1Confident16 Ų1636.7 Ų36.78%0.07517%0.171CC..Hα-helixtrans-60.2-42.3173.5-165.677.1-5.600112.2T440 P462 L464 G470 N471 F472 Q477 R478T440-Q474 PolarHBondContact OG1-NE2 2.83Å; P462-Q474 PolarHBondContact O-NE2 3.24Å; P462-Q474 PolarHBondContact O-OE1 2.93Å; L464-Q474 HydrophobicContact CD1-CB 4.48Å; G470-Q474 VanDerWaalsContact O-CB 3.3Å; G470-Q474 WeakPolarHBondContact O-CB 3.4Å; G470-Q474 PolarHBondContact O-N 2.97Å; N471-Q474 WeakPolarHBondContact O-CB 3.47Å; F472-Q474 PolarHBondContact O-N 2.88Å; Q474-Q477 VanDerWaalsContact O-CG 3.27Å; Q474-Q477 WeakPolarHBondContact O-CG 3.24Å; Q474-R478 WeakPolarHBondContact O-CD 3.46Å; Q474-R478 WeakPolarHBondContact O-CG 3.15Å; Q474-R478 PolarHBondContact O-N 3.34Å
475K95.5Very high89.7Confident51 Ų5135.2 Ų35.222%0.22216%0.163CC..Hα-helixtrans-65.2-47.4174.5-174-171.7-68.5-176.40110.9N471 F472 V473 Q477 R478 E479N471-K475 PolarHBondContact O-N 3.34Å; N471-K475 VanDerWaalsContact O-N 3.14Å; F472-K475 WeakPolarHBondContact O-CA 3.3Å; F472-K475 WeakPolarHBondContact O-CB 3.45Å; F472-K475 PolarHBondContact O-N 3.03Å; V473-K475 PolarHBondContact O-N 2.96Å; K475-Q477 PolarHBondContact O-N 3.13Å; K475-R478 WeakPolarHBondContact O-CB 3.12Å; K475-R478 PolarHBondContact O-N 2.84Å; K475-R478 VanDerWaalsContact O-N 3.11Å; K475-E479 WeakPolarHBondContact CG-OE1 3.39Å; K475-E479 WeakPolarHBondContact O-CG 3.22Å; K475-E479 PolarHBondContact O-N 2.89Å
476F97.3Very high90.6Very high0 Ų026.5 Ų26.50%013%0.125CC..Hα-helixtrans-64.5-37.9-175.2-64.6-17.1000113.6F121 K267 E271 L275 F299 F472 V473 L480F121-F476 HydrophobicContact CE2-CZ 4.37Å; F121-F476 HydrophobicContact CZ-CE2 4.1Å; F121-F476 HydrophobicContact CZ-CZ 4.15Å; K267-F476 PolarHBondContact NZ-O 3.16Å; E271-F476 HydrophobicContact CB-CD2 3.9Å; E271-F476 HydrophobicContact CB-CE2 4.12Å; E271-F476 VanDerWaalsContact CD-CG 3.45Å; E271-F476 HydrophobicContact CG-CD2 3.94Å; E271-F476 HydrophobicContact CG-CE2 4.07Å; E271-F476 HydrophobicContact CG-CG 4.22Å; E271-F476 HydrophobicContact CG-CZ 4.47Å; E271-F476 VanDerWaalsContact OE1-CD1 3.31Å; E271-F476 WeakPolarHBondContact OE1-CD1 3.39Å; E271-F476 WeakPolarHBondContact OE1-CG 3.28Å; E271-F476 WeakPolarHBondContact OE2-CB 3.46Å; L275-F476 HydrophobicContact CD1-CD2 3.88Å; L275-F476 HydrophobicContact CD1-CE2 3.75Å; L275-F476 HydrophobicContact CD2-CE2 3.99Å; L275-F476 HydrophobicContact CG-CE2 3.91Å; F299-F476 HydrophobicContact CE1-CB 3.91Å; F299-F476 HydrophobicContact CZ-CB 4.07Å; F472-F476 HydrophobicContact CB-CE2 4.12Å; F472-F476 HydrophobicContact CB-CZ 4.2Å; F472-F476 WeakPolarHBondContact O-CB 3.42Å; F472-F476 WeakPolarHBondContact O-CD1 3.33Å; F472-F476 WeakPolarHBondContact O-CD2 3.33Å; F472-F476 WeakPolarHBondContact O-CG 3.43Å; F472-F476 PolarHBondContact O-N 2.77Å; V473-F476 PolarHBondContact O-N 3.46Å; F476-L480 WeakPolarHBondContact O-CB 3.43Å; F476-L480 PolarHBondContact O-N 3.14Å
477Q97.1Very high91.8Very high2 Ų224.5 Ų24.51%0.00912%0.117CC..Hα-helixtrans-69.5-33.3174.270.3-177.43.300112.6A302 W461 V473 Q474 K475 S481A302-Q477 HydrophobicContact CB-CB 3.86Å; W461-Q477 HydrophobicContact CD2-CG 4.06Å; W461-Q477 HydrophobicContact CE3-CB 4.4Å; W461-Q477 HydrophobicContact CE3-CG 3.69Å; W461-Q477 HydrophobicContact CH2-CB 4.07Å; W461-Q477 HydrophobicContact CH2-CG 4.04Å; W461-Q477 WeakPolarHBondContact CH2-O 3.15Å; W461-Q477 HydrophobicContact CZ2-CG 4.38Å; W461-Q477 HydrophobicContact CZ3-CB 3.86Å; W461-Q477 HydrophobicContact CZ3-CG 3.65Å; V473-Q477 WeakPolarHBondContact O-CG 3.36Å; V473-Q477 PolarHBondContact O-N 3.33Å; Q474-Q477 VanDerWaalsContact O-CG 3.27Å; Q474-Q477 WeakPolarHBondContact O-CG 3.24Å; K475-Q477 PolarHBondContact O-N 3.13Å; Q477-S481 WeakPolarHBondContact O-CB 3.46Å; Q477-S481 PolarHBondContact O-N 3.26Å
478R98.5Very high93.1Very high23 Ų2316.2 Ų16.29%0.0878%0.078CC..Hα-helixtrans-64.8-45.6174.3-69.7166.5179.2-170.8-0.5110.5L338 D413 H438 T440 Q474 K475 S481 T482L338-R478 HydrophobicContact CD2-CB 4.46Å; D413-R478 IonicContact OD2-CZ 2.66Å; D413-R478 IonicContact OD2-NH1 3.32Å; D413-R478 PolarHBondContact OD2-NH1 2.81Å; D413-R478 IonicContact OD2-NH2 2.75Å; D413-R478 PolarHBondContact OD2-NH2 3.23Å; H438-R478 HydrophobicContact CB-CB 4.49Å; H438-R478 HydrophobicContact CB-CG 3.88Å; H438-R478 PolarHBondContact NE2-O 3.05Å; T440-R478 PolarHBondContact OG1-NH2 3.09Å; Q474-R478 WeakPolarHBondContact O-CD 3.46Å; Q474-R478 WeakPolarHBondContact O-CG 3.15Å; Q474-R478 PolarHBondContact O-N 3.34Å; K475-R478 WeakPolarHBondContact O-CB 3.12Å; K475-R478 PolarHBondContact O-N 2.84Å; K475-R478 VanDerWaalsContact O-N 3.11Å; R478-S481 PolarHBondContact O-N 3.31Å; R478-T482 WeakPolarHBondContact O-CB 3.48Å; R478-T482 PolarHBondContact O-N 3.18Å; R478-T482 PolarHBondContact O-OG1 3.02Å; R478-T482 VanDerWaalsContact O-OG1 3.1Å
479E98.8Very high94.6Very high0 Ų014.7 Ų14.70%07%0.072CC..Hα-helixtrans-62.8-45.3175.7-69.5165.317700112.5K267 T337 L338 I341 K475 T482 K483K267-E479 WeakPolarHBondContact CE-OE2 3.25Å; K267-E479 IonicContact NZ-OE2 2.83Å; K267-E479 PolarHBondContact NZ-OE2 3.12Å; T337-E479 WeakPolarHBondContact CB-OE1 3.36Å; T337-E479 PolarHBondContact OG1-OE1 2.91Å; L338-E479 HydrophobicContact CD2-CB 4.45Å; L338-E479 HydrophobicContact CD2-CG 3.9Å; I341-E479 HydrophobicContact CD1-CB 4.17Å; I341-E479 HydrophobicContact CG1-CB 4.08Å; I341-E479 HydrophobicContact CG1-CG 4.34Å; K475-E479 WeakPolarHBondContact CG-OE1 3.39Å; K475-E479 WeakPolarHBondContact O-CG 3.22Å; K475-E479 PolarHBondContact O-N 2.89Å; E479-T482 PolarHBondContact O-N 3.15Å; E479-K483 WeakPolarHBondContact O-CB 3.43Å; E479-K483 PolarHBondContact O-N 2.75Å
480L98.8Very high95.7Very high0 Ų014.6 Ų14.60%07%0.072CC..Hα-helixtrans-65.7-40.4178.2-177.663.3000111.6K267 I268 F299 F476 K483 W484K267-L480 HydrophobicContact CD-CB 4.31Å; K267-L480 HydrophobicContact CD-CD1 4.24Å; I268-L480 HydrophobicContact CD1-CD2 3.92Å; I268-L480 HydrophobicContact CG1-CD1 4.46Å; I268-L480 HydrophobicContact CG1-CD2 3.68Å; F299-L480 HydrophobicContact CB-CD2 4.12Å; F299-L480 HydrophobicContact CD1-CD2 3.55Å; F299-L480 HydrophobicContact CE1-CD2 4.31Å; F299-L480 HydrophobicContact CG-CD2 4.16Å; F476-L480 WeakPolarHBondContact O-CB 3.43Å; F476-L480 PolarHBondContact O-N 3.14Å; L480-K483 HydrophobicContact CD1-CD 4.5Å; L480-K483 WeakPolarHBondContact O-CB 3.21Å; L480-K483 PolarHBondContact O-N 2.85Å; L480-W484 HydrophobicContact CD1-CD2 4.31Å; L480-W484 HydrophobicContact CD1-CH2 4.35Å; L480-W484 HydrophobicContact CD1-CZ2 3.99Å; L480-W484 HydrophobicContact CD2-CE3 4.49Å; L480-W484 HydrophobicContact CD2-CH2 3.35Å; L480-W484 HydrophobicContact CD2-CZ2 3.74Å; L480-W484 HydrophobicContact CD2-CZ3 3.77Å; L480-W484 HydrophobicContact CG-CD2 4.06Å; L480-W484 HydrophobicContact CG-CE3 3.94Å; L480-W484 HydrophobicContact CG-CH2 3.66Å; L480-W484 HydrophobicContact CG-CZ2 3.81Å; L480-W484 HydrophobicContact CG-CZ3 3.7Å; L480-W484 PolarHBondContact O-N 2.83Å
481S98.9Very high96.7Very high0 Ų014.4 Ų14.40%07%0.071CC..Hα-helixtrans-61.3-49173.9-179.20000112.1T306 I459 W461 Q477 R478 K483 W484 V485T306-S481 WeakPolarHBondContact OG1-CA 3.33Å; T306-S481 WeakPolarHBondContact OG1-CB 3.5Å; T306-S481 PolarHBondContact OG1-OG 2.94Å; I459-S481 VanDerWaalsContact CD1-OG 3.25Å; I459-S481 WeakPolarHBondContact CD1-OG 3.41Å; W461-S481 VanDerWaalsContact CZ2-CB 3.45Å; Q477-S481 WeakPolarHBondContact O-CB 3.46Å; Q477-S481 PolarHBondContact O-N 3.26Å; R478-S481 PolarHBondContact O-N 3.31Å; S481-K483 VanDerWaalsContact C-N 3.28Å; S481-K483 PolarHBondContact O-N 3.45Å; S481-W484 PolarHBondContact O-N 2.86Å; S481-V485 WeakPolarHBondContact O-CG2 3.38Å; S481-V485 PolarHBondContact O-N 3.29Å
482T98.9Very high97.4Very high0 Ų07.7 Ų7.70%04%0.035CC..Hα-helixtrans-55.6-46.5173.5-67.60000110.5I341 I409 L436 H438 R478 E479 W484 V485 L486I341-T482 HydrophobicContact CB-CG2 4.11Å; I341-T482 HydrophobicContact CG2-CG2 3.66Å; I409-T482 HydrophobicContact CG2-CG2 3.79Å; L436-T482 HydrophobicContact CD2-CG2 4.17Å; H438-T482 PolarHBondContact NE2-OG1 3.36Å; R478-T482 WeakPolarHBondContact O-CB 3.48Å; R478-T482 PolarHBondContact O-N 3.18Å; R478-T482 PolarHBondContact O-OG1 3.02Å; R478-T482 VanDerWaalsContact O-OG1 3.1Å; E479-T482 PolarHBondContact O-N 3.15Å; T482-W484 PolarHBondContact O-N 3.33Å; T482-V485 PolarHBondContact O-N 2.93Å; T482-L486 HydrophobicContact CG2-CD1 3.68Å; T482-L486 HydrophobicContact CG2-CG 4.01Å; T482-L486 WeakPolarHBondContact O-CB 3.21Å; T482-L486 WeakPolarHBondContact O-CG 3.35Å; T482-L486 PolarHBondContact O-N 3.09Å
483K98.9Very high97.9Very high7 Ų76 Ų63%0.033%0.027CC..Hα-helixtrans-57.5-47.8178.8-178.9-172179.9-63.90111.6M113 R259 M260 S264 I341 E479 L480 S481 L486 N487M113-K483 HydrophobicContact CE-CD 3.62Å; R259-K483 WeakPolarHBondContact O-CE 3.45Å; R259-K483 PolarHBondContact O-NZ 2.9Å; M260-K483 PolarHBondContact O-NZ 2.83Å; S264-K483 PolarHBondContact OG-NZ 3.41Å; I341-K483 HydrophobicContact CG2-CB 3.77Å; E479-K483 WeakPolarHBondContact O-CB 3.43Å; E479-K483 PolarHBondContact O-N 2.75Å; L480-K483 HydrophobicContact CD1-CD 4.5Å; L480-K483 WeakPolarHBondContact O-CB 3.21Å; L480-K483 PolarHBondContact O-N 2.85Å; S481-K483 VanDerWaalsContact C-N 3.28Å; S481-K483 PolarHBondContact O-N 3.45Å; K483-L486 PolarHBondContact O-N 2.91Å; K483-N487 WeakPolarHBondContact CG-OD1 3.21Å; K483-N487 PolarHBondContact NZ-OD1 3.25Å; K483-N487 VanDerWaalsContact O-CB 3.24Å; K483-N487 WeakPolarHBondContact O-CB 3.38Å; K483-N487 PolarHBondContact O-N 3.16Å; K483-N487 PolarHBondContact O-OD1 3Å
484W98.9Very high98.3Very high1 Ų16 Ų60%0.0043%0.028CC..Hα-helixtrans-62.2-43.1178.1-74.7-42.4000112.7D57 F61 S264 A302 H303 T306 Y307 L480 S481 T482 T488D57-W484 VanDerWaalsContact OD1-CD1 3.22Å; D57-W484 PolarHBondContact OD1-NE1 2.78Å; D57-W484 PolarHBondContact OD2-NE1 3.09Å; F61-W484 HydrophobicContact CE2-CH2 4.14Å; F61-W484 HydrophobicContact CE2-CZ2 4.12Å; F61-W484 HydrophobicContact CZ-CH2 4.14Å; F61-W484 HydrophobicContact CZ-CZ2 4.27Å; S264-W484 PolarHBondContact OG-NE1 2.91Å; A302-W484 HydrophobicContact CB-CZ3 4.02Å; H303-W484 VanDerWaalsContact CA-CZ3 3.41Å; H303-W484 HydrophobicContact CB-CH2 3.73Å; H303-W484 HydrophobicContact CB-CZ2 4.45Å; H303-W484 HydrophobicContact CB-CZ3 3.87Å; H303-W484 VanDerWaalsContact N-CZ3 3.3Å; T306-W484 HydrophobicContact CG2-CB 4.21Å; Y307-W484 HydrophobicContact CE2-CB 4.28Å; Y307-W484 HydrophobicContact CE2-CG 4.36Å; L480-W484 HydrophobicContact CD1-CD2 4.31Å; L480-W484 HydrophobicContact CD1-CH2 4.35Å; L480-W484 HydrophobicContact CD1-CZ2 3.99Å; L480-W484 HydrophobicContact CD2-CE3 4.49Å; L480-W484 HydrophobicContact CD2-CH2 3.35Å; L480-W484 HydrophobicContact CD2-CZ2 3.74Å; L480-W484 HydrophobicContact CD2-CZ3 3.77Å; L480-W484 HydrophobicContact CG-CD2 4.06Å; L480-W484 HydrophobicContact CG-CE3 3.94Å; L480-W484 HydrophobicContact CG-CH2 3.66Å; L480-W484 HydrophobicContact CG-CZ2 3.81Å; L480-W484 HydrophobicContact CG-CZ3 3.7Å; L480-W484 PolarHBondContact O-N 2.83Å; S481-W484 PolarHBondContact O-N 2.86Å; T482-W484 PolarHBondContact O-N 3.33Å; W484-T488 WeakPolarHBondContact O-CB 3.3Å; W484-T488 PolarHBondContact O-N 2.84Å; W484-T488 PolarHBondContact O-OG1 3.2Å
485V98.9Very high98.5Very high0 Ų05.4 Ų5.40%03%0.025CC..Hα-helixtrans-60.5-53.2175.6173.70000110.6T306 I313 L436 S481 T482 T488 V489T306-V485 HydrophobicContact CG2-CG2 3.65Å; I313-V485 HydrophobicContact CD1-CG2 4.03Å; I313-V485 HydrophobicContact CG1-CG1 4.34Å; I313-V485 HydrophobicContact CG1-CG2 4.23Å; L436-V485 HydrophobicContact CD2-CB 4.15Å; L436-V485 HydrophobicContact CD2-CG1 4.22Å; L436-V485 HydrophobicContact CD2-CG2 4.29Å; S481-V485 WeakPolarHBondContact O-CG2 3.38Å; S481-V485 PolarHBondContact O-N 3.29Å; T482-V485 PolarHBondContact O-N 2.93Å; V485-T488 PolarHBondContact O-N 2.69Å; V485-V489 HydrophobicContact CG1-CG2 4.29Å; V485-V489 WeakPolarHBondContact O-CB 3.27Å; V485-V489 VanDerWaalsContact O-CG2 3.22Å; V485-V489 WeakPolarHBondContact O-CG2 3.43Å; V485-V489 PolarHBondContact O-N 3.32Å
486L98.9Very high98.7Very high1 Ų16.1 Ų6.11%0.0053%0.031CC..Hα-helixtrans-66.2-45.7-175.7-63.9-175.4000111.8L332 I341 A342 D345 T482 K483 T488 V489 S490L332-L486 HydrophobicContact CD1-CD1 4.31Å; L332-L486 HydrophobicContact CD1-CD2 4.39Å; L332-L486 HydrophobicContact CD2-CD2 4.17Å; I341-L486 HydrophobicContact CG2-CD1 4.37Å; A342-L486 HydrophobicContact CB-CD1 4.31Å; D345-L486 HydrophobicContact CB-CB 3.94Å; D345-L486 HydrophobicContact CB-CD1 4.4Å; T482-L486 HydrophobicContact CG2-CD1 3.68Å; T482-L486 HydrophobicContact CG2-CG 4.01Å; T482-L486 WeakPolarHBondContact O-CB 3.21Å; T482-L486 WeakPolarHBondContact O-CG 3.35Å; T482-L486 PolarHBondContact O-N 3.09Å; K483-L486 PolarHBondContact O-N 2.91Å; L486-T488 VanDerWaalsContact C-N 3.29Å; L486-T488 PolarHBondContact O-N 3.46Å; L486-V489 PolarHBondContact O-N 2.73Å; L486-S490 WeakPolarHBondContact O-CB 3.4Å; L486-S490 PolarHBondContact O-N 2.84Å; L486-S490 PolarHBondContact O-OG 3.25Å
487N98.9Very high98.7Very high13 Ų138.1 Ų8.17%0.074%0.041CC..Hα-helixtrans-62.1-37.4177.8-67.1171.2000112.1R259 D345 K483 S490 T491R259-N487 PolarHBondContact NH1-ND2 3.44Å; R259-N487 VanDerWaalsContact NH1-ND2 3.15Å; R259-N487 PolarHBondContact O-OD1 3.21Å; D345-N487 VanDerWaalsContact OD1-CA 3.28Å; D345-N487 WeakPolarHBondContact OD1-CA 3.45Å; D345-N487 PolarHBondContact OD1-N 3.45Å; D345-N487 PolarHBondContact OD1-ND2 2.85Å; K483-N487 WeakPolarHBondContact CG-OD1 3.21Å; K483-N487 PolarHBondContact NZ-OD1 3.25Å; K483-N487 VanDerWaalsContact O-CB 3.24Å; K483-N487 WeakPolarHBondContact O-CB 3.38Å; K483-N487 PolarHBondContact O-N 3.16Å; K483-N487 PolarHBondContact O-OD1 3Å; N487-S490 PolarHBondContact O-OG 2.96Å; N487-T491 WeakPolarHBondContact O-CB 3.39Å; N487-T491 PolarHBondContact O-N 2.84Å; N487-T491 PolarHBondContact O-OG1 3.4Å
488T98.9Very high98.8Very high3 Ų38.5 Ų8.52%0.0185%0.046CC..Hα-helixtrans-67.1-48.8174.9-64.50000110.9V50 L53 Y307 I313 M317 W484 V485 L486 G492V50-T488 HydrophobicContact CB-CG2 4.31Å; V50-T488 HydrophobicContact CG1-CG2 4.46Å; V50-T488 HydrophobicContact CG2-CG2 3.82Å; L53-T488 HydrophobicContact CB-CG2 4.49Å; L53-T488 HydrophobicContact CD1-CG2 4.25Å; Y307-T488 PolarHBondContact OH-OG1 3.3Å; I313-T488 HydrophobicContact CG2-CG2 3.94Å; M317-T488 HydrophobicContact CE-CG2 3.8Å; M317-T488 WeakPolarHBondContact CE-O 3.35Å; W484-T488 WeakPolarHBondContact O-CB 3.3Å; W484-T488 PolarHBondContact O-N 2.84Å; W484-T488 PolarHBondContact O-OG1 3.2Å; V485-T488 PolarHBondContact O-N 2.69Å; L486-T488 VanDerWaalsContact C-N 3.29Å; L486-T488 PolarHBondContact O-N 3.46Å; T488-G492 PolarHBondContact O-N 3.29Å
489V98.9Very high98.8Very high5 Ų59.5 Ų9.53%0.035%0.051CC..Hα-helixtrans-61.3-51.1-179.9164.80000111.4I313 L316 M317 V320 V485 L486 A493I313-V489 HydrophobicContact CG2-CG2 3.93Å; L316-V489 HydrophobicContact CB-CG2 4.32Å; L316-V489 HydrophobicContact CD2-CG1 4.45Å; L316-V489 HydrophobicContact CD2-CG2 3.98Å; L316-V489 HydrophobicContact CG-CG1 4.05Å; L316-V489 HydrophobicContact CG-CG2 3.99Å; M317-V489 HydrophobicContact CB-CG2 4.46Å; V320-V489 HydrophobicContact CB-CG1 4.14Å; V320-V489 HydrophobicContact CG1-CG1 4.3Å; V320-V489 HydrophobicContact CG2-CG1 3.74Å; V485-V489 HydrophobicContact CG1-CG2 4.29Å; V485-V489 WeakPolarHBondContact O-CB 3.27Å; V485-V489 VanDerWaalsContact O-CG2 3.22Å; V485-V489 WeakPolarHBondContact O-CG2 3.43Å; V485-V489 PolarHBondContact O-N 3.32Å; L486-V489 PolarHBondContact O-N 2.73Å; V489-A493 WeakPolarHBondContact O-CB 3.18Å; V489-A493 PolarHBondContact O-N 2.97Å
490S98.9Very high98.8Very high3 Ų39.6 Ų9.62%0.0215%0.051CC..Hα-helixtrans-67.1-42.1-178.4620000111.8R259 D345 L486 N487 H494R259-S490 PolarHBondContact NH1-OG 3.12Å; R259-S490 PolarHBondContact NH2-OG 3.14Å; D345-S490 VanDerWaalsContact CG-OG 3.27Å; D345-S490 PolarHBondContact OD1-OG 3.09Å; D345-S490 WeakPolarHBondContact OD2-CB 3.14Å; D345-S490 PolarHBondContact OD2-OG 3.42Å; L486-S490 WeakPolarHBondContact O-CB 3.4Å; L486-S490 PolarHBondContact O-N 2.84Å; L486-S490 PolarHBondContact O-OG 3.25Å; N487-S490 PolarHBondContact O-OG 2.96Å; S490-H494 PolarHBondContact O-N 3.32Å; S490-H494 PolarHBondContact O-ND1 3.14Å
491T98.9Very high98.7Very high0 Ų09.8 Ų9.80%05%0.052CC..Hα-helixtrans-62.1-55.5175.4-60.30000110.3L53 L254 R259 M260 F353 N487 A493 H494 V495L53-T491 HydrophobicContact CD1-CG2 3.94Å; L254-T491 HydrophobicContact CD2-CG2 4.19Å; R259-T491 PolarHBondContact NH2-OG1 2.73Å; M260-T491 HydrophobicContact SD-CG2 4.35Å; F353-T491 HydrophobicContact CZ-CG2 4.07Å; N487-T491 WeakPolarHBondContact O-CB 3.39Å; N487-T491 PolarHBondContact O-N 2.84Å; N487-T491 PolarHBondContact O-OG1 3.4Å; T491-A493 VanDerWaalsContact C-N 3.32Å; T491-A493 PolarHBondContact O-N 2.72Å; T491-H494 PolarHBondContact O-N 2.88Å; T491-H494 VanDerWaalsContact O-N 3.13Å; T491-V495 HydrophobicContact CG2-CG2 4.18Å; T491-V495 WeakPolarHBondContact O-CG2 3.26Å; T491-V495 PolarHBondContact O-N 2.99Å
492G98.9Very high98.7Very high0 Ų013.7 Ų13.70%07%0.07CC..Hα-helixtrans-62.2-37.1-175.900000113.6M317 T488 H494 V495 L496M317-G492 VanDerWaalsContact SD-CA 3.53Å; T488-G492 PolarHBondContact O-N 3.29Å; G492-H494 VanDerWaalsContact C-N 3.34Å; G492-H494 PolarHBondContact O-N 3.02Å; G492-V495 WeakPolarHBondContact O-CB 3.25Å; G492-V495 PolarHBondContact O-N 2.95Å; G492-L496 VanDerWaalsContact O-CG 3.29Å; G492-L496 WeakPolarHBondContact O-CG 3.36Å; G492-L496 PolarHBondContact O-N 2.89Å
493A98.9Very high98.6Very high0 Ų013.7 Ų13.70%07%0.071CC..Hα-helixtrans-59.6-43.9174.500000112M317 V320 S321 L324 V489 T491 L496 L497M317-A493 HydrophobicContact CG-CB 4.49Å; V320-A493 HydrophobicContact CB-CB 4.12Å; V320-A493 HydrophobicContact CG1-CB 3.53Å; S321-A493 PolarHBondContact OG-O 3.42Å; L324-A493 HydrophobicContact CD1-CB 4.39Å; V489-A493 WeakPolarHBondContact O-CB 3.18Å; V489-A493 PolarHBondContact O-N 2.97Å; T491-A493 VanDerWaalsContact C-N 3.32Å; T491-A493 PolarHBondContact O-N 2.72Å; A493-L496 PolarHBondContact O-N 2.83Å; A493-L497 VanDerWaalsContact O-CG 3.31Å; A493-L497 WeakPolarHBondContact O-CG 3.44Å; A493-L497 PolarHBondContact O-N 3.31Å
494H98.9Very high98.6Very high2 Ų213.8 Ų13.81%0.0097%0.071CC..Hα-helixtrans-73.7-28.2176.5-66.486.5000112.8F353 S490 T491 G492 L497 K499F353-H494 HydrophobicContact CB-CB 3.98Å; F353-H494 VanDerWaalsContact CB-CD2 3.5Å; F353-H494 WeakPolarHBondContact CB-CD2 3.27Å; F353-H494 HydrophobicContact CD1-CB 3.54Å; F353-H494 HydrophobicContact CD2-CB 3.75Å; F353-H494 AromaticContact CD2-CD2 3.9Å; F353-H494 AromaticContact CD2-CG 3.48Å; F353-H494 VanDerWaalsContact CD2-CG 3.48Å; F353-H494 AromaticContact CD2-ND1 3.58Å; F353-H494 HydrophobicContact CE1-CB 3.89Å; F353-H494 HydrophobicContact CE2-CB 4.1Å; F353-H494 AromaticContact CE2-ND1 3.94Å; F353-H494 HydrophobicContact CG-CB 3.48Å; F353-H494 VanDerWaalsContact CG-CB 3.48Å; F353-H494 AromaticContact CG-CD2 3.8Å; F353-H494 AromaticContact CG-CG 3.54Å; F353-H494 HydrophobicContact CZ-CB 4.18Å; S490-H494 PolarHBondContact O-N 3.32Å; S490-H494 PolarHBondContact O-ND1 3.14Å; T491-H494 PolarHBondContact O-N 2.88Å; T491-H494 VanDerWaalsContact O-N 3.13Å; G492-H494 VanDerWaalsContact C-N 3.34Å; G492-H494 PolarHBondContact O-N 3.02Å; H494-L497 PolarHBondContact O-N 3.08Å; H494-K499 HydrophobicContact CB-CB 4.46Å; H494-K499 HydrophobicContact CB-CD 4.27Å; H494-K499 WeakPolarHBondContact O-CB 3.29Å; H494-K499 PolarHBondContact O-N 3.06Å
495V98.8Very high98.6Very high3 Ų313.9 Ų13.92%0.0187%0.072CC..Hα-helixtrans-62.1-48.1170.5173.20000110.9L41 I49 T491 G492 L497 G498 I500L41-V495 HydrophobicContact CD2-CG2 4.48Å; L41-V495 HydrophobicContact CG-CG1 4.42Å; L41-V495 HydrophobicContact CG-CG2 4.44Å; L41-V495 WeakPolarHBondContact O-CG1 3.27Å; I49-V495 HydrophobicContact CD1-CB 4.08Å; I49-V495 HydrophobicContact CD1-CG1 3.79Å; I49-V495 HydrophobicContact CG1-CG1 4.41Å; T491-V495 HydrophobicContact CG2-CG2 4.18Å; T491-V495 WeakPolarHBondContact O-CG2 3.26Å; T491-V495 PolarHBondContact O-N 2.99Å; G492-V495 WeakPolarHBondContact O-CB 3.25Å; G492-V495 PolarHBondContact O-N 2.95Å; V495-L497 PolarHBondContact O-N 3.44Å; V495-L497 VanDerWaalsContact O-N 3.16Å; V495-G498 PolarHBondContact O-N 3.47Å; V495-I500 HydrophobicContact CB-CD1 4.21Å; V495-I500 HydrophobicContact CB-CG1 4.31Å; V495-I500 HydrophobicContact CG1-CD1 3.85Å; V495-I500 HydrophobicContact CG1-CG1 4.05Å; V495-I500 HydrophobicContact CG2-CD1 3.45Å; V495-I500 VanDerWaalsContact CG2-CD1 3.45Å; V495-I500 HydrophobicContact CG2-CG1 3.86Å; V495-I500 HydrophobicContact CG2-CG2 4.3Å
496L98.8Very high98.5Very high65 Ų6514 Ų1434%0.347%0.072SC..Hα-helixtrans-60.3-25.3178.4-68.5172.5000112.9A46 I49 M317 S321 G492 A493 G498A46-L496 HydrophobicContact CB-CD1 4.14Å; I49-L496 HydrophobicContact CD1-CD2 3.89Å; I49-L496 HydrophobicContact CD1-CG 3.98Å; M317-L496 HydrophobicContact CG-CD1 4.16Å; M317-L496 HydrophobicContact SD-CD1 4.14Å; S321-L496 WeakPolarHBondContact OG-CB 3.28Å; G492-L496 VanDerWaalsContact O-CG 3.29Å; G492-L496 WeakPolarHBondContact O-CG 3.36Å; G492-L496 PolarHBondContact O-N 2.89Å; A493-L496 PolarHBondContact O-N 2.83Å; L496-G498 VanDerWaalsContact C-N 3.27Å; L496-G498 PolarHBondContact O-N 3.06Å
497L98.4Very high98.3Very high42 Ų4214.2 Ų14.222%0.227%0.073CC..THydrogen-bonded Turntrans-83.74.7174.3-62172.6000113.8L324 E325 A493 H494 V495 K499L324-L497 HydrophobicContact CB-CD1 3.66Å; L324-L497 HydrophobicContact CD1-CD1 4.18Å; E325-L497 HydrophobicContact CB-CD2 3.77Å; E325-L497 HydrophobicContact CG-CD2 4.28Å; A493-L497 VanDerWaalsContact O-CG 3.31Å; A493-L497 WeakPolarHBondContact O-CG 3.44Å; A493-L497 PolarHBondContact O-N 3.31Å; H494-L497 PolarHBondContact O-N 3.08Å; V495-L497 PolarHBondContact O-N 3.44Å; V495-L497 VanDerWaalsContact O-N 3.16Å; L497-K499 HydrophobicContact CB-CG 4.29Å
498G98.1Very high98.1Very high11 Ų1113.6 Ų13.611%0.1137%0.07CC..THydrogen-bonded Turntrans70.135177.300000113.9V495 L496 V597 C598V495-G498 PolarHBondContact O-N 3.47Å; L496-G498 VanDerWaalsContact C-N 3.27Å; L496-G498 PolarHBondContact O-N 3.06Å; G498-V597 VanDerWaalsContact O-CG2 3.23Å; G498-V597 WeakPolarHBondContact O-CG2 3.41Å; G498-C598 WeakPolarHBondContact O-CB 3.45Å; G498-C598 PolarHBondContact O-N 3.47Å; G498-C598 VanDerWaalsContact O-N 3.07Å
499K98.3Very high98.1Very high44 Ų4414.3 Ų14.319%0.1917%0.072CC..  trans-89.3-6.4180-64.5-155.4167.2-120.10115.5F353 H494 L497 D507F353-K499 HydrophobicContact CB-CD 3.91Å; F353-K499 HydrophobicContact CD1-CB 4.47Å; F353-K499 VanDerWaalsContact O-CD 3.25Å; F353-K499 WeakPolarHBondContact O-CD 3.48Å; F353-K499 PolarHBondContact O-NZ 2.83Å; H494-K499 HydrophobicContact CB-CB 4.46Å; H494-K499 HydrophobicContact CB-CD 4.27Å; H494-K499 WeakPolarHBondContact O-CB 3.29Å; H494-K499 PolarHBondContact O-N 3.06Å; L497-K499 HydrophobicContact CB-CG 4.29Å; K499-D507 HydrophobicContact CB-CB 4.27Å; K499-D507 IonicContact NZ-OD2 2.76Å; K499-D507 PolarHBondContact NZ-OD2 2.8Å; K499-D507 PolarHBondContact O-N 3.12Å
500I98.4Very high98Very high1 Ų114 Ų141%0.0057%0.071CC..  trans-119.8161.8178.269.6159.1000110.3L41 D42 L254 F353 V495 Q502 H504 C598L41-I500 HydrophobicContact CB-CD1 4.2Å; L41-I500 HydrophobicContact CD2-CD1 3.87Å; L41-I500 HydrophobicContact CG-CD1 3.88Å; D42-I500 HydrophobicContact CB-CD1 4.24Å; D42-I500 HydrophobicContact CB-CG1 3.97Å; L254-I500 HydrophobicContact CD1-CB 4.29Å; L254-I500 HydrophobicContact CD1-CD1 4.29Å; L254-I500 HydrophobicContact CD1-CG2 3.84Å; L254-I500 HydrophobicContact CD2-CG2 4.33Å; F353-I500 HydrophobicContact CD1-CG2 4.37Å; F353-I500 HydrophobicContact CE1-CG2 4.11Å; V495-I500 HydrophobicContact CB-CD1 4.21Å; V495-I500 HydrophobicContact CB-CG1 4.31Å; V495-I500 HydrophobicContact CG1-CD1 3.85Å; V495-I500 HydrophobicContact CG1-CG1 4.05Å; V495-I500 HydrophobicContact CG2-CD1 3.45Å; V495-I500 VanDerWaalsContact CG2-CD1 3.45Å; V495-I500 HydrophobicContact CG2-CG1 3.86Å; V495-I500 HydrophobicContact CG2-CG2 4.3Å; I500-Q502 WeakPolarHBondContact CD1-O 3.2Å; I500-H504 WeakPolarHBondContact CA-O 3.43Å; I500-H504 WeakPolarHBondContact CB-O 3.4Å; I500-C598 VanDerWaalsContact O-CB 3.24Å; I500-C598 WeakPolarHBondContact O-CB 3.19Å; I500-C598 PolarHBondContact O-SG 2.81Å
501L98.1Very high97.9Very high4 Ų414.2 Ų14.22%0.0217%0.072CC..BIsolated β-bridgetrans-126.6126.4171.3176.765.9000108.6N503 H504 L506 F526 V601 R602 L605L501-N503 PolarHBondContact O-N 2.81Å; L501-H504 PolarHBondContact N-O 2.91Å; L501-H504 PolarHBondContact O-N 3.38Å; L501-L506 HydrophobicContact CB-CB 4.16Å; L501-L506 HydrophobicContact CB-CD2 4.02Å; L501-F526 HydrophobicContact CB-CZ 4.38Å; L501-F526 HydrophobicContact CD2-CD1 3.66Å; L501-F526 HydrophobicContact CD2-CD2 4.18Å; L501-F526 HydrophobicContact CD2-CE1 3.51Å; L501-F526 HydrophobicContact CD2-CE2 4.05Å; L501-F526 HydrophobicContact CD2-CG 4Å; L501-F526 HydrophobicContact CD2-CZ 3.71Å; L501-F526 HydrophobicContact CG-CD1 4.48Å; L501-F526 HydrophobicContact CG-CE1 3.87Å; L501-F526 HydrophobicContact CG-CZ 3.93Å; L501-V601 HydrophobicContact CD2-CB 4.39Å; L501-V601 HydrophobicContact CD2-CG1 3.61Å; L501-R602 HydrophobicContact CD1-CG 3.67Å; L501-L605 HydrophobicContact CD2-CD1 4.29Å
502Q97.7Very high97.8Very high82 Ų8214.2 Ų14.238%0.3837%0.072SC..THydrogen-bonded Turntrans51.8-107.5-166.7-62.2173.3-15.900110.1Q39 D42 I500 F526Q39-Q502 CarbonylContact O-C 3.59Å; Q39-Q502 WeakPolarHBondContact O-CA 3.28Å; Q39-Q502 VanDerWaalsContact O-CB 3.26Å; Q39-Q502 WeakPolarHBondContact O-CB 3.49Å; D42-Q502 WeakPolarHBondContact CB-O 3.46Å; D42-Q502 PolarHBondContact N-O 3.21Å; D42-Q502 VanDerWaalsContact N-O 3.08Å; D42-Q502 PolarHBondContact OD2-N 2.97Å; I500-Q502 WeakPolarHBondContact CD1-O 3.2Å; Q502-F526 HydrophobicContact CG-CE1 4.48Å
503N98.1Very high97.6Very high1 Ų114.6 Ų14.61%0.0058%0.075CC..THydrogen-bonded Turntrans-126.538.717056.59.5000112.5S34 N35 T38 L41 G253 S255 L501S34-N503 PolarHBondContact OG-ND2 3.31Å; S34-N503 PolarHBondContact OG-OD1 3.26Å; N35-N503 PolarHBondContact N-ND2 3.23Å; N35-N503 PolarHBondContact O-ND2 3Å; T38-N503 WeakPolarHBondContact O-CB 3.33Å; T38-N503 PolarHBondContact OG1-ND2 2.9Å; L41-N503 HydrophobicContact CB-CB 4.5Å; G253-N503 WeakPolarHBondContact O-CB 3.25Å; S255-N503 VanDerWaalsContact CB-O 3.3Å; S255-N503 WeakPolarHBondContact CB-O 3.41Å; S255-N503 PolarHBondContact N-O 3.03Å; S255-N503 PolarHBondContact OG-O 3.14Å; L501-N503 PolarHBondContact O-N 2.81Å
504H98.4Very high97.4Very high9 Ų916.4 Ų16.44%0.0428%0.083CC..BIsolated β-bridgetrans-120.5142.8177-67.8-78000111.7S255 I500 L501 L506 M522 R525 F526S255-H504 PolarHBondContact OG-CE1 2.83Å; S255-H504 VanDerWaalsContact OG-CE1 3.29Å; S255-H504 PolarHBondContact OG-ND1 2.97Å; I500-H504 WeakPolarHBondContact CA-O 3.43Å; I500-H504 WeakPolarHBondContact CB-O 3.4Å; L501-H504 PolarHBondContact N-O 2.91Å; L501-H504 PolarHBondContact O-N 3.38Å; H504-L506 PolarHBondContact O-N 2.87Å; H504-M522 HydrophobicContact CB-CG 4.42Å; H504-M522 HydrophobicContact CB-SD 3.93Å; H504-R525 WeakPolarHBondContact NE2-CD 3.39Å; H504-R525 PolarHBondContact NE2-NE 3.03Å; H504-F526 HydrophobicContact CB-CE2 3.95Å; H504-F526 HydrophobicContact CB-CZ 4.01Å; H504-F526 AromaticContact CD2-CZ 3.63Å
505M97.6Very high97.3Very high3 Ų316.4 Ų16.42%0.0158%0.083CC..  trans-73.282.8-178.4-59.8167.1-17400111.2L254 T352 D507 L508 M522L254-M505 HydrophobicContact CD1-CG 4Å; L254-M505 HydrophobicContact CD2-CE 4.17Å; L254-M505 HydrophobicContact CD2-CG 3.9Å; L254-M505 HydrophobicContact CG-CE 4.1Å; L254-M505 HydrophobicContact CG-CG 3.88Å; T352-M505 HydrophobicContact CG2-CE 3.87Å; T352-M505 HydrophobicContact CG2-CG 4.15Å; T352-M505 HydrophobicContact CG2-SD 3.99Å; M505-D507 PolarHBondContact O-N 2.89Å; M505-L508 HydrophobicContact CB-CB 3.93Å; M505-L508 WeakPolarHBondContact O-CB 3.27Å; M505-L508 PolarHBondContact O-N 2.8Å; M505-L508 HydrophobicContact SD-CD1 3.87Å; M505-M522 WeakPolarHBondContact O-CE 3.29Å
506L97.3Very high97.2Very high2 Ų216.5 Ų16.51%0.018%0.083CC..THydrogen-bonded Turntrans-65.1-40.1-177.1-174.361.9000111.7L501 H504 L508 I571 P572 L575 V597 V601L501-L506 HydrophobicContact CB-CB 4.16Å; L501-L506 HydrophobicContact CB-CD2 4.02Å; H504-L506 PolarHBondContact O-N 2.87Å; L506-L508 VanDerWaalsContact C-N 3.3Å; L506-L508 PolarHBondContact O-N 2.88Å; L506-I571 HydrophobicContact CD1-CG2 4.03Å; L506-P572 HydrophobicContact CD1-CB 4.28Å; L506-P572 HydrophobicContact CG-CB 4.27Å; L506-P572 HydrophobicContact CG-CG 4.49Å; L506-P572 VanDerWaalsContact O-CD 3.26Å; L506-P572 WeakPolarHBondContact O-CD 3.35Å; L506-L575 HydrophobicContact CD1-CD2 4.39Å; L506-V597 HydrophobicContact CD2-CB 4.14Å; L506-V597 HydrophobicContact CD2-CG2 4.01Å; L506-V597 WeakPolarHBondContact CD2-O 3.5Å; L506-V597 HydrophobicContact CG-CG2 4.34Å; L506-V601 HydrophobicContact CD1-CG2 4.32Å; L506-V601 HydrophobicContact CD2-CB 4.13Å; L506-V601 HydrophobicContact CD2-CG2 3.78Å
507D95.7Very high96.9Very high5 Ų516.8 Ų16.83%0.0278%0.08CC..THydrogen-bonded Turntrans-91.227.4-178.6-149.514.7000113.9F353 G354 K499 M505 Q569 V597F353-D507 CarbonylContact C-O 3.6Å; F353-D507 VanDerWaalsContact C-O 3.3Å; G354-D507 VanDerWaalsContact CA-O 3.28Å; G354-D507 WeakPolarHBondContact CA-O 3.47Å; G354-D507 PolarHBondContact N-O 3.44Å; K499-D507 HydrophobicContact CB-CB 4.27Å; K499-D507 IonicContact NZ-OD2 2.76Å; K499-D507 PolarHBondContact NZ-OD2 2.8Å; K499-D507 PolarHBondContact O-N 3.12Å; M505-D507 PolarHBondContact O-N 2.89Å; D507-Q569 VanDerWaalsContact OD1-CG 3.26Å; D507-Q569 WeakPolarHBondContact OD1-CG 3.41Å; D507-Q569 PolarHBondContact OD1-N 3.36Å; D507-V597 HydrophobicContact CB-CG2 4.24Å
508L95Very high96.8Very high1 Ų115.7 Ų15.71%0.0057%0.072CC..  trans-66137-178.2175.474.3000112.5H351 M505 L506 L515 R518 M522 I571H351-L508 WeakPolarHBondContact O-CA 3.31Å; H351-L508 WeakPolarHBondContact O-CD1 3.43Å; M505-L508 HydrophobicContact CB-CB 3.93Å; M505-L508 WeakPolarHBondContact O-CB 3.27Å; M505-L508 PolarHBondContact O-N 2.8Å; M505-L508 HydrophobicContact SD-CD1 3.87Å; L506-L508 VanDerWaalsContact C-N 3.3Å; L506-L508 PolarHBondContact O-N 2.88Å; L508-L515 HydrophobicContact CD1-CD1 4.09Å; L508-L515 HydrophobicContact CD1-CD2 3.95Å; L508-L515 HydrophobicContact CD1-CG 4.48Å; L508-L515 HydrophobicContact CD2-CB 4.23Å; L508-L515 HydrophobicContact CD2-CD2 4.16Å; L508-R518 HydrophobicContact CD2-CB 4.5Å; L508-R518 HydrophobicContact CD2-CG 4.39Å; L508-M522 HydrophobicContact CD2-CE 4.03Å; L508-I571 HydrophobicContact CB-CD1 3.68Å; L508-I571 HydrophobicContact CD2-CD1 4.19Å; L508-I571 HydrophobicContact CG-CD1 4.39Å
509R97.4Very high96.7Very high17 Ų1715.2 Ų15.26%0.0647%0.067CC..  trans-84.2132.6166.3-56.7-178.1179-100.1-1.4110.4I350 H351 G354 A355 S511 L515 E566 E568I350-R509 VanDerWaalsContact O-CD 3.31Å; I350-R509 WeakPolarHBondContact O-CD 3.5Å; I350-R509 PolarHBondContact O-NE 3.1Å; H351-R509 HydrophobicContact CB-CB 4.34Å; H351-R509 PolarHBondContact O-N 2.83Å; G354-R509 PolarHBondContact O-NH2 3.43Å; A355-R509 PolarHBondContact O-NE 3Å; A355-R509 PolarHBondContact O-NH2 3.36Å; R509-S511 VanDerWaalsContact C-N 3.31Å; R509-S511 PolarHBondContact O-N 3.18Å; R509-L515 WeakPolarHBondContact O-CD1 3.32Å; R509-E566 VanDerWaalsContact NH1-C 3.27Å; R509-E566 PolarHBondContact NH1-O 3.25Å; R509-E568 IonicContact CZ-OE1 3.58Å; R509-E568 IonicContact NH1-OE1 2.85Å; R509-E568 IonicContact NH2-OE1 3.01Å; R509-E568 PolarHBondContact NH2-OE1 2.93Å
510I97.9Very high96.5Very high0 Ų013.2 Ų13.20%06%0.058CC..  trans-84.279.5-179.5-57.1172.1000108.9F516 A519 L538 I542 V561 A564 H565 V570I510-F516 HydrophobicContact CG2-CB 3.75Å; I510-F516 HydrophobicContact CG2-CD2 4.16Å; I510-F516 HydrophobicContact CG2-CG 4.46Å; I510-A519 HydrophobicContact CD1-CB 3.69Å; I510-A519 HydrophobicContact CG1-CB 3.99Å; I510-L538 HydrophobicContact CD1-CD1 3.74Å; I510-I542 HydrophobicContact CD1-CD1 3.98Å; I510-I542 HydrophobicContact CD1-CG1 4.32Å; I510-V561 HydrophobicContact CG2-CG2 4.38Å; I510-A564 HydrophobicContact CB-CB 3.84Å; I510-A564 HydrophobicContact CG2-CB 4.32Å; I510-H565 WeakPolarHBondContact O-CA 3.36Å; I510-V570 HydrophobicContact CD1-CB 4.44Å; I510-V570 HydrophobicContact CD1-CG1 3.9Å
511S96.1Very high96.2Very high6 Ų615.6 Ų15.64%0.0428%0.078CC..  trans-96.8-5.4-171.8-53.20000114.7E150 G151 R509 V561E150-S511 CarbonylContact C-O 3.58Å; G151-S511 WeakPolarHBondContact CA-O 3.45Å; G151-S511 PolarHBondContact N-O 3.16Å; R509-S511 VanDerWaalsContact C-N 3.31Å; R509-S511 PolarHBondContact O-N 3.18Å; S511-V561 VanDerWaalsContact C-CG1 3.4Å; S511-V561 VanDerWaalsContact O-CG1 3.31Å; S511-V561 WeakPolarHBondContact O-CG1 3.27Å
512N96.9Very high96Very high0 Ų015.6 Ų15.60%08%0.078CC..SBendtrans-159.8175.9172.774.620.9000112.1E150 E153 D154 K514 L515 F516 V561E150-N512 HydrophobicContact CB-CB 4.19Å; E150-N512 PolarHBondContact O-ND2 2.85Å; E153-N512 PolarHBondContact OE1-ND2 3.41Å; D154-N512 WeakPolarHBondContact OD2-CA 3.48Å; D154-N512 WeakPolarHBondContact OD2-CB 3.32Å; N512-K514 VanDerWaalsContact C-N 3.33Å; N512-K514 PolarHBondContact O-N 3.39Å; N512-K514 WeakPolarHBondContact OD1-CA 3.43Å; N512-K514 WeakPolarHBondContact OD1-CB 3.11Å; N512-K514 PolarHBondContact OD1-N 3.42Å; N512-L515 PolarHBondContact O-N 3.5Å; N512-L515 VanDerWaalsContact O-N 3.13Å; N512-L515 WeakPolarHBondContact OD1-CG 3.4Å; N512-L515 PolarHBondContact OD1-N 3.43Å; N512-F516 PolarHBondContact O-N 3.41Å; N512-V561 VanDerWaalsContact C-CG2 3.48Å
513S94.8Very high95.9Very high8 Ų811.7 Ų11.76%0.0566%0.06CC..Hα-helixtrans-59.2-39.3-177.867.40000113.2D154 R215 L515 F516 W517D154-S513 WeakPolarHBondContact OD1-CB 3.23Å; D154-S513 PolarHBondContact OD1-OG 3.19Å; D154-S513 PolarHBondContact OD2-N 2.88Å; R215-S513 PolarHBondContact NH1-OG 3.47Å; R215-S513 PolarHBondContact NH2-OG 3.48Å; S513-L515 PolarHBondContact O-N 3.25Å; S513-F516 WeakPolarHBondContact O-CB 3.42Å; S513-F516 PolarHBondContact O-N 3.07Å; S513-W517 PolarHBondContact O-N 3.23Å
514K94.7Very high95.4Very high38 Ų3815.1 Ų15.117%0.1658%0.076CC..Hα-helixtrans-61.5-44.2175.8173.1-165.472.6-155.10110.8E153 N512 F516 W517 R518E153-K514 IonicContact OE1-NZ 3.33Å; E153-K514 PolarHBondContact OE1-NZ 3.36Å; N512-K514 VanDerWaalsContact C-N 3.33Å; N512-K514 PolarHBondContact O-N 3.39Å; N512-K514 WeakPolarHBondContact OD1-CA 3.43Å; N512-K514 WeakPolarHBondContact OD1-CB 3.11Å; N512-K514 PolarHBondContact OD1-N 3.42Å; K514-F516 VanDerWaalsContact C-N 3.33Å; K514-W517 PolarHBondContact O-N 2.79Å; K514-R518 PolarHBondContact O-N 2.97Å
515L95.9Very high95.1Very high2 Ų219.3 Ų19.31%0.019%0.091CC..Hα-helixtrans-70-30.7178.2-59.6-175.3000112.2H351 L508 R509 N512 S513 R518 A519H351-L515 HydrophobicContact CB-CD1 4.36Å; L508-L515 HydrophobicContact CD1-CD1 4.09Å; L508-L515 HydrophobicContact CD1-CD2 3.95Å; L508-L515 HydrophobicContact CD1-CG 4.48Å; L508-L515 HydrophobicContact CD2-CB 4.23Å; L508-L515 HydrophobicContact CD2-CD2 4.16Å; R509-L515 WeakPolarHBondContact O-CD1 3.32Å; N512-L515 PolarHBondContact O-N 3.5Å; N512-L515 VanDerWaalsContact O-N 3.13Å; N512-L515 WeakPolarHBondContact OD1-CG 3.4Å; N512-L515 PolarHBondContact OD1-N 3.43Å; S513-L515 PolarHBondContact O-N 3.25Å; L515-R518 PolarHBondContact O-N 3.22Å; L515-A519 WeakPolarHBondContact O-CB 3.47Å; L515-A519 PolarHBondContact O-N 3.21Å
516F97.4Very high94.8Very high5 Ų520 Ų202%0.02210%0.095CC..Hα-helixtrans-62.2-49171.3179.6-86.1000111.5I510 N512 S513 K514 R518 A519 L520 L538 L539 I542 I557 H560I510-F516 HydrophobicContact CG2-CB 3.75Å; I510-F516 HydrophobicContact CG2-CD2 4.16Å; I510-F516 HydrophobicContact CG2-CG 4.46Å; N512-F516 PolarHBondContact O-N 3.41Å; S513-F516 WeakPolarHBondContact O-CB 3.42Å; S513-F516 PolarHBondContact O-N 3.07Å; K514-F516 VanDerWaalsContact C-N 3.33Å; F516-R518 VanDerWaalsContact C-N 3.31Å; F516-R518 PolarHBondContact O-N 3.26Å; F516-A519 PolarHBondContact O-N 3.36Å; F516-L520 PolarHBondContact O-N 2.83Å; F516-L538 HydrophobicContact CD2-CD2 4.27Å; F516-L538 HydrophobicContact CE2-CD2 3.91Å; F516-L538 HydrophobicContact CE2-CG 4.46Å; F516-L538 HydrophobicContact CZ-CD2 4.07Å; F516-L539 HydrophobicContact CE2-CD2 3.95Å; F516-L539 HydrophobicContact CZ-CD2 4.08Å; F516-I542 HydrophobicContact CD2-CD1 4.22Å; F516-I542 HydrophobicContact CE2-CD1 4.01Å; F516-I557 HydrophobicContact CB-CG2 3.91Å; F516-I557 HydrophobicContact CD1-CD1 3.93Å; F516-I557 HydrophobicContact CD1-CG2 3.98Å; F516-I557 HydrophobicContact CD2-CG2 4.28Å; F516-I557 HydrophobicContact CE1-CD1 3.56Å; F516-I557 HydrophobicContact CE2-CD1 4.48Å; F516-I557 HydrophobicContact CG-CG2 3.8Å; F516-I557 HydrophobicContact CZ-CD1 3.86Å; F516-H560 HydrophobicContact CD2-CB 4.27Å; F516-H560 HydrophobicContact CE2-CB 4.03Å; F516-H560 AromaticContact CE2-CD2 3.93Å
517W93.6Very high94.6Very high72 Ų7220.5 Ų20.527%0.27310%0.098SC..Hα-helixtrans-64.1-36.5177.4-66.2121.5000112.4S513 K514 L520 A521 I557S513-W517 PolarHBondContact O-N 3.23Å; K514-W517 PolarHBondContact O-N 2.79Å; W517-L520 HydrophobicContact CE3-CD2 3.93Å; W517-L520 HydrophobicContact CZ3-CD2 3.85Å; W517-L520 PolarHBondContact O-N 2.83Å; W517-A521 WeakPolarHBondContact O-CB 3.41Å; W517-A521 PolarHBondContact O-N 3.45Å; W517-I557 HydrophobicContact CZ2-CG1 4.35Å
518R95.2Very high94.2Very high19 Ų1923.6 Ų23.67%0.07213%0.131CC..Hα-helixtrans-63.4-46.4173.7-171.9-179.5-64.3166.30.9112E32 G256 L508 K514 L515 F516 L520 A521 M522E32-R518 IonicContact OE1-CZ 2.88Å; E32-R518 IonicContact OE1-NE 2.74Å; E32-R518 IonicContact OE1-NH2 3.44Å; E32-R518 PolarHBondContact OE1-NH2 2.88Å; E32-R518 IonicContact OE2-CZ 3.99Å; E32-R518 IonicContact OE2-NE 2.93Å; E32-R518 PolarHBondContact OE2-NE 3.05Å; E32-R518 IonicContact OE2-NH2 3.82Å; E32-R518 PolarHBondContact OE2-NH2 3.38Å; G256-R518 VanDerWaalsContact CA-CZ 3.43Å; G256-R518 VanDerWaalsContact CA-NH2 3.26Å; G256-R518 PolarHBondContact O-NH1 3.29Å; G256-R518 PolarHBondContact O-NH2 3.18Å; L508-R518 HydrophobicContact CD2-CB 4.5Å; L508-R518 HydrophobicContact CD2-CG 4.39Å; K514-R518 PolarHBondContact O-N 2.97Å; L515-R518 PolarHBondContact O-N 3.22Å; F516-R518 VanDerWaalsContact C-N 3.31Å; F516-R518 PolarHBondContact O-N 3.26Å; R518-L520 VanDerWaalsContact C-N 3.31Å; R518-L520 PolarHBondContact O-N 2.87Å; R518-A521 PolarHBondContact O-N 2.9Å; R518-M522 HydrophobicContact CG-CE 4.2Å; R518-M522 WeakPolarHBondContact O-CG 3.44Å; R518-M522 PolarHBondContact O-N 3.36Å
519A96.7Very high94Very high0 Ų025.3 Ų25.30%014%0.139CC..Hα-helixtrans-56.3-47.1175.400000111.1I510 L515 F516 A521 M522 L523 L538 I571I510-A519 HydrophobicContact CD1-CB 3.69Å; I510-A519 HydrophobicContact CG1-CB 3.99Å; L515-A519 WeakPolarHBondContact O-CB 3.47Å; L515-A519 PolarHBondContact O-N 3.21Å; F516-A519 PolarHBondContact O-N 3.36Å; A519-A521 PolarHBondContact O-N 3.18Å; A519-M522 PolarHBondContact O-N 3.07Å; A519-L523 WeakPolarHBondContact O-CG 3.22Å; A519-L523 PolarHBondContact O-N 2.8Å; A519-L523 VanDerWaalsContact O-N 3.07Å; A519-L538 HydrophobicContact CB-CD1 4.21Å; A519-L538 HydrophobicContact CB-CD2 4.22Å; A519-I571 HydrophobicContact CB-CD1 3.94Å; A519-I571 HydrophobicContact CB-CG1 3.74Å
520L94.1Very high93.5Very high2 Ų227.7 Ų27.71%0.0116%0.158CC..Hα-helixtrans-60.9-44.8176.9-179.761.6000112.5F516 W517 R518 M522 L523 Q524 K531 C534 I535 L538F516-L520 PolarHBondContact O-N 2.83Å; W517-L520 HydrophobicContact CE3-CD2 3.93Å; W517-L520 HydrophobicContact CZ3-CD2 3.85Å; W517-L520 PolarHBondContact O-N 2.83Å; R518-L520 VanDerWaalsContact C-N 3.31Å; R518-L520 PolarHBondContact O-N 2.87Å; L520-M522 VanDerWaalsContact C-N 3.32Å; L520-M522 PolarHBondContact O-N 3.47Å; L520-L523 PolarHBondContact O-N 3.16Å; L520-Q524 PolarHBondContact O-N 3.35Å; L520-K531 HydrophobicContact CD2-CG 4.34Å; L520-C534 HydrophobicContact CD1-CB 3.52Å; L520-I535 HydrophobicContact CD1-CB 4.48Å; L520-I535 HydrophobicContact CD1-CG1 3.65Å; L520-I535 HydrophobicContact CD2-CD1 4.22Å; L520-I535 HydrophobicContact CD2-CG1 3.74Å; L520-I535 HydrophobicContact CG-CG1 4.38Å; L520-L538 HydrophobicContact CB-CD2 4.14Å
521A92Very high92.8Very high51 Ų5132.7 Ų32.742%0.42118%0.18SC..Hα-helixtrans-62.8-38.1178.200000112.2W517 R518 A519 Q524 R525W517-A521 WeakPolarHBondContact O-CB 3.41Å; W517-A521 PolarHBondContact O-N 3.45Å; R518-A521 PolarHBondContact O-N 2.9Å; A519-A521 PolarHBondContact O-N 3.18Å; A521-Q524 PolarHBondContact O-N 3.42Å; A521-R525 WeakPolarHBondContact O-CB 3.43Å; A521-R525 PolarHBondContact O-N 2.86Å
522M94.3Very high92.2Very high5 Ų535.8 Ų35.83%0.02521%0.206CC..Hα-helixtrans-63.4-43.4173.8-73.1-173.8-66.100111.8H504 M505 L508 R518 A519 L520 Q524 R525 F526 I571H504-M522 HydrophobicContact CB-CG 4.42Å; H504-M522 HydrophobicContact CB-SD 3.93Å; M505-M522 WeakPolarHBondContact O-CE 3.29Å; L508-M522 HydrophobicContact CD2-CE 4.03Å; R518-M522 HydrophobicContact CG-CE 4.2Å; R518-M522 WeakPolarHBondContact O-CG 3.44Å; R518-M522 PolarHBondContact O-N 3.36Å; A519-M522 PolarHBondContact O-N 3.07Å; L520-M522 VanDerWaalsContact C-N 3.32Å; L520-M522 PolarHBondContact O-N 3.47Å; M522-Q524 VanDerWaalsContact C-N 3.33Å; M522-Q524 PolarHBondContact O-N 2.89Å; M522-R525 PolarHBondContact O-N 2.81Å; M522-F526 HydrophobicContact CB-CD2 4.31Å; M522-F526 HydrophobicContact CB-CE2 4.4Å; M522-F526 VanDerWaalsContact O-CD2 3.22Å; M522-F526 WeakPolarHBondContact O-CD2 3.49Å; M522-F526 PolarHBondContact O-N 2.89Å; M522-I571 HydrophobicContact CE-CD1 3.37Å; M522-I571 HydrophobicContact CE-CG1 4.21Å; M522-I571 HydrophobicContact CE-CG2 4.38Å
523L93.9Very high92Very high0 Ų042.1 Ų42.10%023%0.23CC..Hα-helixtrans-60-44175.5-65.1-177000111.7A519 L520 S527 C534 L538 I571 A574 L575 L578A519-L523 WeakPolarHBondContact O-CG 3.22Å; A519-L523 PolarHBondContact O-N 2.8Å; A519-L523 VanDerWaalsContact O-N 3.07Å; L520-L523 PolarHBondContact O-N 3.16Å; L523-S527 WeakPolarHBondContact O-CB 3.19Å; L523-S527 PolarHBondContact O-N 2.97Å; L523-S527 PolarHBondContact O-OG 3.18Å; L523-C534 HydrophobicContact CB-CB 3.92Å; L523-C534 HydrophobicContact CD1-CB 4.43Å; L523-L538 HydrophobicContact CD1-CB 3.74Å; L523-L538 HydrophobicContact CD1-CD1 4.21Å; L523-L538 HydrophobicContact CD1-CG 4.41Å; L523-I571 HydrophobicContact CD2-CG2 4.2Å; L523-A574 HydrophobicContact CD1-CB 3.98Å; L523-A574 HydrophobicContact CD2-CB 4.04Å; L523-L575 HydrophobicContact CD2-CB 3.7Å; L523-L575 HydrophobicContact CD2-CD1 4.25Å; L523-L575 HydrophobicContact CD2-CG 4.5Å; L523-L578 HydrophobicContact CB-CD1 4.13Å; L523-L578 HydrophobicContact CD1-CD1 4.26Å; L523-L578 HydrophobicContact CD2-CD1 4.23Å; L523-L578 HydrophobicContact CG-CD1 4.44Å
524Q89.1Confident91.9Very high73 Ų7341.7 Ų41.734%0.34123%0.227SC..Hα-helixtrans-61.8-45.2176.7-70.2-176.1-107.300111.7L520 A521 M522 G528 C534L520-Q524 PolarHBondContact O-N 3.35Å; A521-Q524 PolarHBondContact O-N 3.42Å; M522-Q524 VanDerWaalsContact C-N 3.33Å; M522-Q524 PolarHBondContact O-N 2.89Å; Q524-G528 WeakPolarHBondContact O-CA 3.41Å; Q524-G528 PolarHBondContact O-N 3.39Å; Q524-C534 HydrophobicContact CG-CB 4.06Å
525R91.4Very high91.8Very high96 Ų9642.5 Ų42.536%0.36223%0.233SC..Hα-helixtrans-59.7-53.5179.5177.8-178.5-61.7-863.2112.3E25 H504 A521 M522E25-R525 IonicContact OE1-CZ 2.62Å; E25-R525 IonicContact OE1-NH1 3.54Å; E25-R525 PolarHBondContact OE1-NH1 3.29Å; E25-R525 IonicContact OE1-NH2 3.41Å; E25-R525 PolarHBondContact OE1-NH2 2.96Å; E25-R525 IonicContact OE2-CZ 2.98Å; E25-R525 IonicContact OE2-NH2 3.39Å; E25-R525 PolarHBondContact OE2-NH2 3.25Å; H504-R525 WeakPolarHBondContact NE2-CD 3.39Å; H504-R525 PolarHBondContact NE2-NE 3.03Å; A521-R525 WeakPolarHBondContact O-CB 3.43Å; A521-R525 PolarHBondContact O-N 2.86Å; M522-R525 PolarHBondContact O-N 2.81Å
526F92.3Very high91.8Very high18 Ų1844.8 Ų44.88%0.07924%0.243CC..Hα-helixtrans-84.2-24.4-171-68-64.6000113.8L501 Q502 H504 M522 L575 L605L501-F526 HydrophobicContact CB-CZ 4.38Å; L501-F526 HydrophobicContact CD2-CD1 3.66Å; L501-F526 HydrophobicContact CD2-CD2 4.18Å; L501-F526 HydrophobicContact CD2-CE1 3.51Å; L501-F526 HydrophobicContact CD2-CE2 4.05Å; L501-F526 HydrophobicContact CD2-CG 4Å; L501-F526 HydrophobicContact CD2-CZ 3.71Å; L501-F526 HydrophobicContact CG-CD1 4.48Å; L501-F526 HydrophobicContact CG-CE1 3.87Å; L501-F526 HydrophobicContact CG-CZ 3.93Å; Q502-F526 HydrophobicContact CG-CE1 4.48Å; H504-F526 HydrophobicContact CB-CE2 3.95Å; H504-F526 HydrophobicContact CB-CZ 4.01Å; H504-F526 AromaticContact CD2-CZ 3.63Å; M522-F526 HydrophobicContact CB-CD2 4.31Å; M522-F526 HydrophobicContact CB-CE2 4.4Å; M522-F526 VanDerWaalsContact O-CD2 3.22Å; M522-F526 WeakPolarHBondContact O-CD2 3.49Å; M522-F526 PolarHBondContact O-N 2.89Å; F526-L575 HydrophobicContact CB-CD1 3.91Å; F526-L575 HydrophobicContact CB-CD2 3.77Å; F526-L575 HydrophobicContact CD2-CD2 4.44Å; F526-L575 HydrophobicContact CG-CD2 4.34Å; F526-L605 WeakPolarHBondContact O-CD2 3.35Å
527S92.5Very high91.8Very high13 Ų1344.7 Ų44.79%0.09124%0.243CC..Hα-helixtrans-93.2-22.6177.574.70000114L523 Q529L523-S527 WeakPolarHBondContact O-CB 3.19Å; L523-S527 PolarHBondContact O-N 2.97Å; L523-S527 PolarHBondContact O-OG 3.18Å; S527-Q529 PolarHBondContact O-N 3.05Å; S527-Q529 VanDerWaalsContact O-N 3.16Å; S527-Q529 WeakPolarHBondContact OG-CB 3.36Å; S527-Q529 PolarHBondContact OG-N 3.3Å; S527-Q529 VanDerWaalsContact OG-N 3.13Å
528G87.2Confident92Very high70 Ų7041.2 Ų41.272%0.72223%0.23SC*.  trans63.810.1-169.600000114.2Q524Q524-G528 WeakPolarHBondContact O-CA 3.41Å; Q524-G528 PolarHBondContact O-N 3.39Å
529Q90.3Very high92.2Very high37 Ų3740.5 Ų40.517%0.17323%0.228CC..  trans-86.6164.5-177.2-62.1-17342.100112.3S527 R533 L578S527-Q529 PolarHBondContact O-N 3.05Å; S527-Q529 VanDerWaalsContact O-N 3.16Å; S527-Q529 WeakPolarHBondContact OG-CB 3.36Å; S527-Q529 PolarHBondContact OG-N 3.3Å; S527-Q529 VanDerWaalsContact OG-N 3.13Å; Q529-R533 HydrophobicContact CB-CB 4.4Å; Q529-L578 PolarHBondContact NE2-O 3.29Å
530S87.3Confident92.3Very high66 Ų6645 Ų4546%0.46225%0.245SC..  trans-63.7152.4179.770.30000112.2A532 R533 C534S530-A532 PolarHBondContact O-N 3.29Å; S530-R533 PolarHBondContact O-N 3.46Å; S530-R533 VanDerWaalsContact O-N 3.1Å; S530-C534 PolarHBondContact O-N 3.41Å; S530-C534 PolarHBondContact O-SG 3.35Å
531K82.8Confident92.5Very high106 Ų10645.3 Ų45.346%0.46125%0.248SC..Hα-helixtrans-50.6-43175.4-176.4176.5178.9176.50112L520 R533 C534 I535L520-K531 HydrophobicContact CD2-CG 4.34Å; K531-R533 PolarHBondContact O-N 2.9Å; K531-C534 PolarHBondContact O-N 3.49Å; K531-I535 HydrophobicContact CD-CD1 4.48Å; K531-I535 HydrophobicContact CG-CD1 3.88Å; K531-I535 HydrophobicContact CG-CG1 4.35Å; K531-I535 WeakPolarHBondContact O-CG1 3.42Å; K531-I535 PolarHBondContact O-N 3.19Å
532A84.7Confident92.8Very high71 Ų7142.9 Ų42.959%0.58723%0.227SC*.Hα-helixtrans-60.3-44.7179.700000112.9S530 I535 E536S530-A532 PolarHBondContact O-N 3.29Å; A532-I535 PolarHBondContact O-N 2.91Å; A532-E536 PolarHBondContact O-N 3.33Å
533R92Very high93Very high132 Ų13243.2 Ų43.250%0.49823%0.229SC..Hα-helixtrans-67.6-38.2177-70.3-175.167.8984.3111.9Q529 S530 K531 E536 S537 L578Q529-R533 HydrophobicContact CB-CB 4.4Å; S530-R533 PolarHBondContact O-N 3.46Å; S530-R533 VanDerWaalsContact O-N 3.1Å; K531-R533 PolarHBondContact O-N 2.9Å; R533-E536 PolarHBondContact O-N 2.76Å; R533-S537 PolarHBondContact O-N 2.68Å; R533-L578 HydrophobicContact CB-CD2 4.35Å
534C92Very high93.1Very high0 Ų046.2 Ų46.20%024%0.242CC..Hα-helixtrans-66-42.3177.7-620000111.8L520 L523 Q524 S530 K531 S537 L538L520-C534 HydrophobicContact CD1-CB 3.52Å; L523-C534 HydrophobicContact CB-CB 3.92Å; L523-C534 HydrophobicContact CD1-CB 4.43Å; Q524-C534 HydrophobicContact CG-CB 4.06Å; S530-C534 PolarHBondContact O-N 3.41Å; S530-C534 PolarHBondContact O-SG 3.35Å; K531-C534 PolarHBondContact O-N 3.49Å; C534-S537 PolarHBondContact O-N 2.85Å; C534-L538 VanDerWaalsContact O-CB 3.27Å; C534-L538 WeakPolarHBondContact O-CB 3.44Å; C534-L538 PolarHBondContact O-N 2.92Å
535I92.9Very high93.5Very high55 Ų5548 Ų4828%0.28226%0.26SS..Hα-helixtrans-59-51.7173.4-70.4170.4000110L520 K531 A532 S537 L538 L539L520-I535 HydrophobicContact CD1-CB 4.48Å; L520-I535 HydrophobicContact CD1-CG1 3.65Å; L520-I535 HydrophobicContact CD2-CD1 4.22Å; L520-I535 HydrophobicContact CD2-CG1 3.74Å; L520-I535 HydrophobicContact CG-CG1 4.38Å; K531-I535 HydrophobicContact CD-CD1 4.48Å; K531-I535 HydrophobicContact CG-CD1 3.88Å; K531-I535 HydrophobicContact CG-CG1 4.35Å; K531-I535 WeakPolarHBondContact O-CG1 3.42Å; K531-I535 PolarHBondContact O-N 3.19Å; A532-I535 PolarHBondContact O-N 2.91Å; I535-S537 VanDerWaalsContact C-N 3.33Å; I535-S537 PolarHBondContact O-N 3.35Å; I535-L538 PolarHBondContact O-N 3.31Å; I535-L539 HydrophobicContact CG2-CD1 3.89Å; I535-L539 HydrophobicContact CG2-CG 4.16Å; I535-L539 WeakPolarHBondContact O-CG 3.49Å; I535-L539 PolarHBondContact O-N 3.37Å
536E96.1Very high93.7Very high49 Ų4948.9 Ų48.923%0.22927%0.268CS..Hα-helixtrans-59.4-42.4-178.3-175.373-168.300111.9A532 R533 R540 L548 R553A532-E536 PolarHBondContact O-N 3.33Å; R533-E536 PolarHBondContact O-N 2.76Å; E536-R540 VanDerWaalsContact O-CB 3.3Å; E536-R540 WeakPolarHBondContact O-CB 3.34Å; E536-R540 PolarHBondContact O-N 3.31Å; E536-R540 IonicContact OE1-NH2 3.75Å; E536-R540 PolarHBondContact OE1-NH2 2.98Å; E536-L548 VanDerWaalsContact CD-CD1 3.49Å; E536-L548 HydrophobicContact CG-CD1 4.25Å; E536-L548 WeakPolarHBondContact O-CD1 3.37Å; E536-L548 VanDerWaalsContact OE1-CD1 3.27Å; E536-L548 WeakPolarHBondContact OE1-CD1 3.32Å; E536-R553 IonicContact OE1-CZ 3.52Å; E536-R553 IonicContact OE1-NE 2.68Å; E536-R553 IonicContact OE1-NH2 3.48Å; E536-R553 PolarHBondContact OE1-NH2 3.48Å; E536-R553 IonicContact OE2-CZ 2.96Å; E536-R553 IonicContact OE2-NE 3.68Å; E536-R553 PolarHBondContact OE2-NE 2.96Å; E536-R553 IonicContact OE2-NH2 3.7Å
537S98Very high93.8Very high3 Ų353 Ų532%0.02130%0.297CS..Hα-helixtrans-66.9-43.7176.7-166.50000112.4R533 C534 I535 R540 A541 A574R533-S537 PolarHBondContact O-N 2.68Å; C534-S537 PolarHBondContact O-N 2.85Å; I535-S537 VanDerWaalsContact C-N 3.33Å; I535-S537 PolarHBondContact O-N 3.35Å; S537-R540 PolarHBondContact O-N 3.03Å; S537-A541 PolarHBondContact O-N 2.9Å; S537-A574 PolarHBondContact OG-O 3.07Å
538L98.3Very high94Very high0 Ų053.6 Ų53.60%030%0.299CS..Hα-helixtrans-60.5-50.5178.9-176.557.9000111.3I510 F516 A519 L520 L523 C534 I535 R540 A541 I542 V570I510-L538 HydrophobicContact CD1-CD1 3.74Å; F516-L538 HydrophobicContact CD2-CD2 4.27Å; F516-L538 HydrophobicContact CE2-CD2 3.91Å; F516-L538 HydrophobicContact CE2-CG 4.46Å; F516-L538 HydrophobicContact CZ-CD2 4.07Å; A519-L538 HydrophobicContact CB-CD1 4.21Å; A519-L538 HydrophobicContact CB-CD2 4.22Å; L520-L538 HydrophobicContact CB-CD2 4.14Å; L523-L538 HydrophobicContact CD1-CB 3.74Å; L523-L538 HydrophobicContact CD1-CD1 4.21Å; L523-L538 HydrophobicContact CD1-CG 4.41Å; C534-L538 VanDerWaalsContact O-CB 3.27Å; C534-L538 WeakPolarHBondContact O-CB 3.44Å; C534-L538 PolarHBondContact O-N 2.92Å; I535-L538 PolarHBondContact O-N 3.31Å; L538-R540 VanDerWaalsContact C-N 3.28Å; L538-R540 PolarHBondContact O-N 3.4Å; L538-A541 PolarHBondContact O-N 3.34Å; L538-I542 HydrophobicContact CD1-CD1 4.16Å; L538-I542 HydrophobicContact CD1-CG1 4.46Å; L538-I542 HydrophobicContact CG-CD1 3.93Å; L538-I542 VanDerWaalsContact O-CG1 3.3Å; L538-I542 WeakPolarHBondContact O-CG1 3.45Å; L538-I542 PolarHBondContact O-N 2.76Å; L538-V570 HydrophobicContact CD1-CG1 4.13Å
539L98.3Very high94.4Very high4 Ų452.4 Ų52.42%0.02128%0.279CS..Hα-helixtrans-61.9-39.5178.2-64.2-173.8000111.1F516 I535 A541 I542 H543 L548 H560F516-L539 HydrophobicContact CE2-CD2 3.95Å; F516-L539 HydrophobicContact CZ-CD2 4.08Å; I535-L539 HydrophobicContact CG2-CD1 3.89Å; I535-L539 HydrophobicContact CG2-CG 4.16Å; I535-L539 WeakPolarHBondContact O-CG 3.49Å; I535-L539 PolarHBondContact O-N 3.37Å; L539-A541 VanDerWaalsContact C-N 3.35Å; L539-A541 PolarHBondContact O-N 3.19Å; L539-I542 PolarHBondContact O-N 2.68Å; L539-H543 PolarHBondContact O-CD2 3.21Å; L539-H543 VanDerWaalsContact O-CD2 3.25Å; L539-H543 PolarHBondContact O-N 2.77Å; L539-L548 HydrophobicContact CB-CD1 3.99Å; L539-L548 HydrophobicContact CB-CD2 3.75Å; L539-H560 HydrophobicContact CD2-CB 4.46Å; L539-H560 WeakPolarHBondContact CD2-CD2 3.47Å; L539-H560 WeakPolarHBondContact CD2-NE2 3.38Å
540R98.1Very high94.7Very high95 Ų9556.3 Ų56.336%0.35830%0.302SS..Hα-helixtrans-62.6-42.9177.7-168.5-179.3-63.4140.24.6111.4E536 S537 L538 F544 L548 I584E536-R540 VanDerWaalsContact O-CB 3.3Å; E536-R540 WeakPolarHBondContact O-CB 3.34Å; E536-R540 PolarHBondContact O-N 3.31Å; E536-R540 IonicContact OE1-NH2 3.75Å; E536-R540 PolarHBondContact OE1-NH2 2.98Å; S537-R540 PolarHBondContact O-N 3.03Å; L538-R540 VanDerWaalsContact C-N 3.28Å; L538-R540 PolarHBondContact O-N 3.4Å; R540-F544 VanDerWaalsContact O-CB 3.3Å; R540-F544 WeakPolarHBondContact O-CB 3.33Å; R540-F544 PolarHBondContact O-N 3.32Å; R540-L548 HydrophobicContact CB-CD1 3.95Å; R540-L548 HydrophobicContact CB-CG 4.32Å; R540-I584 HydrophobicContact CB-CD1 4.43Å; R540-I584 HydrophobicContact CG-CD1 4.12Å; R540-I584 HydrophobicContact CG-CG1 3.79Å
541A98.3Very high95.1Very high8 Ų859.5 Ų59.57%0.06631%0.314CS..Hα-helixtrans-65.5-40.2175.500000112.1S537 L538 L539 V570 I573 A574 I584S537-A541 PolarHBondContact O-N 2.9Å; L538-A541 PolarHBondContact O-N 3.34Å; L539-A541 VanDerWaalsContact C-N 3.35Å; L539-A541 PolarHBondContact O-N 3.19Å; A541-V570 HydrophobicContact CB-CG1 4.11Å; A541-I573 HydrophobicContact CB-CG2 4.2Å; A541-A574 HydrophobicContact CB-CB 3.81Å; A541-I584 HydrophobicContact CB-CD1 4.17Å
542I98.4Very high95.8Very high0 Ų055.1 Ų55.10%030%0.295CS..Hα-helixtrans-63.3-48.4177.1-71170.7000111.3I510 F516 L538 L539 H560 V563 A564 K567 V570I510-I542 HydrophobicContact CD1-CD1 3.98Å; I510-I542 HydrophobicContact CD1-CG1 4.32Å; F516-I542 HydrophobicContact CD2-CD1 4.22Å; F516-I542 HydrophobicContact CE2-CD1 4.01Å; L538-I542 HydrophobicContact CD1-CD1 4.16Å; L538-I542 HydrophobicContact CD1-CG1 4.46Å; L538-I542 HydrophobicContact CG-CD1 3.93Å; L538-I542 VanDerWaalsContact O-CG1 3.3Å; L538-I542 WeakPolarHBondContact O-CG1 3.45Å; L538-I542 PolarHBondContact O-N 2.76Å; L539-I542 PolarHBondContact O-N 2.68Å; I542-H560 HydrophobicContact CD1-CB 4.39Å; I542-V563 HydrophobicContact CG2-CB 4Å; I542-V563 HydrophobicContact CG2-CG1 3.92Å; I542-V563 WeakPolarHBondContact O-CG1 3.3Å; I542-A564 HydrophobicContact CB-CB 4.47Å; I542-A564 HydrophobicContact CD1-CB 4.18Å; I542-A564 HydrophobicContact CG1-CB 3.9Å; I542-A564 HydrophobicContact CG2-CB 3.9Å; I542-K567 WeakPolarHBondContact O-CE 3.41Å; I542-K567 PolarHBondContact O-NZ 3.4Å; I542-V570 HydrophobicContact CG1-CG1 3.71Å
543H98.3Very high96.2Very high12 Ų1256.7 Ų56.76%0.05629%0.286CS..Hα-helixtrans-90-8.7-171.8-69.7-82.2000113.9L539 Q546 L548 I552 H560L539-H543 PolarHBondContact O-CD2 3.21Å; L539-H543 VanDerWaalsContact O-CD2 3.25Å; L539-H543 PolarHBondContact O-N 2.77Å; H543-Q546 WeakPolarHBondContact O-CA 3.01Å; H543-Q546 WeakPolarHBondContact O-CB 3.34Å; H543-Q546 PolarHBondContact O-N 2.88Å; H543-L548 HydrophobicContact CB-CD2 4.34Å; H543-I552 HydrophobicContact CB-CD1 4.45Å; H543-I552 VanDerWaalsContact CD2-CG2 3.48Å; H543-I552 WeakPolarHBondContact CD2-CG2 3.31Å; H543-H560 AromaticContact CE1-ND1 3.74Å; H543-H560 AromaticContact NE2-CE1 3.67Å; H543-H560 AromaticContact NE2-CG 3.96Å; H543-H560 AromaticContact NE2-ND1 3.05Å; H543-H560 PolarHBondContact NE2-ND1 3.42Å
544F97.7Very high96.3Very high63 Ų6354.5 Ų54.528%0.27630%0.296SS..THydrogen-bonded Turntrans-51133.2177.5-175.2-95.3000112R540 K567 I584 T585R540-F544 VanDerWaalsContact O-CB 3.3Å; R540-F544 WeakPolarHBondContact O-CB 3.33Å; R540-F544 PolarHBondContact O-N 3.32Å; F544-K567 PolarHBondContact O-NZ 3.05Å; F544-I584 HydrophobicContact CB-CG2 4.03Å; F544-I584 HydrophobicContact CD1-CG2 3.87Å; F544-I584 HydrophobicContact CD2-CB 3.7Å; F544-I584 HydrophobicContact CD2-CG1 4.09Å; F544-I584 HydrophobicContact CD2-CG2 3.66Å; F544-I584 HydrophobicContact CE1-CG2 4.27Å; F544-I584 HydrophobicContact CE2-CB 4.01Å; F544-I584 HydrophobicContact CE2-CG2 4.1Å; F544-I584 HydrophobicContact CG-CB 4.13Å; F544-I584 HydrophobicContact CG-CG2 3.56Å; F544-I584 HydrophobicContact CZ-CG2 4.39Å; F544-T585 HydrophobicContact CE2-CG2 4.13Å; F544-T585 HydrophobicContact CZ-CG2 3.59Å
545P97.1Very high96.5Very high111 Ų11155.6 Ų55.672%0.72131%0.305SS*.THydrogen-bonded Turncis-861.310.335.3-37000116.2
546Q96Very high96.6Very high114 Ų11456.3 Ų56.353%0.53331%0.313SS..SBendtrans-67.4128.3178.5-170.2175.33.300110.5H543 I552H543-Q546 WeakPolarHBondContact O-CA 3.01Å; H543-Q546 WeakPolarHBondContact O-CB 3.34Å; H543-Q546 PolarHBondContact O-N 2.88Å; Q546-I552 HydrophobicContact CG-CD1 4.12Å
547P93.8Very high96.6Very high105 Ų10555.6 Ų55.668%0.68231%0.31SS*.  trans-69.8150.5175.529.6-34.4000110.8S549P547-S549 PolarHBondContact O-N 2.66Å
548L95.9Very high96.5Very high24 Ų2457.8 Ų57.813%0.12633%0.326CS..  trans-71.5113178.4-66.6-178.3000111.5E536 L539 R540 H543 I552 R553E536-L548 VanDerWaalsContact CD-CD1 3.49Å; E536-L548 HydrophobicContact CG-CD1 4.25Å; E536-L548 WeakPolarHBondContact O-CD1 3.37Å; E536-L548 VanDerWaalsContact OE1-CD1 3.27Å; E536-L548 WeakPolarHBondContact OE1-CD1 3.32Å; L539-L548 HydrophobicContact CB-CD1 3.99Å; L539-L548 HydrophobicContact CB-CD2 3.75Å; R540-L548 HydrophobicContact CB-CD1 3.95Å; R540-L548 HydrophobicContact CB-CG 4.32Å; H543-L548 HydrophobicContact CB-CD2 4.34Å; L548-I552 HydrophobicContact CD2-CB 4.38Å; L548-I552 HydrophobicContact CD2-CG2 3.6Å; L548-R553 PolarHBondContact O-NH1 3.15Å; L548-R553 PolarHBondContact O-NH2 3.38Å
549S96.7Very high96.4Very high45 Ų4560.3 Ų60.332%0.31534%0.343SS..  trans-91.5166.9166.265.30000111.2P547 D551 I552 R553P547-S549 PolarHBondContact O-N 2.66Å; S549-D551 PolarHBondContact O-N 3.47Å; S549-I552 PolarHBondContact O-N 3.1Å; S549-I552 PolarHBondContact OG-N 2.93Å; S549-R553 PolarHBondContact O-N 3.18Å; S549-R553 VanDerWaalsContact O-N 3.07Å
550D95.3Very high96.4Very high120 Ų12060.3 Ų60.364%0.64234%0.343SS*.Hα-helixtrans-64.7-30.8174.3-65.5-22.8000111.9I552 R553 A554D550-I552 VanDerWaalsContact C-N 3.35Å; D550-I552 PolarHBondContact O-N 3.46Å; D550-R553 PolarHBondContact O-N 3.26Å; D550-R553 IonicContact OD1-NH1 3.95Å; D550-R553 PolarHBondContact OD1-NH1 2.85Å; D550-A554 WeakPolarHBondContact O-CB 3.49Å; D550-A554 PolarHBondContact O-N 2.89Å
551D96.6Very high96.4Very high133 Ų13356.2 Ų56.271%0.71133%0.328SS*.Hα-helixtrans-60.9-42.9172-59.1-33.6000111.7S549 A554 A555S549-D551 PolarHBondContact O-N 3.47Å; D551-A554 PolarHBondContact O-N 3.01Å; D551-A555 WeakPolarHBondContact O-CB 3.23Å; D551-A555 PolarHBondContact O-N 3.37Å
552I96.6Very high96.3Very high14 Ų1462.2 Ų62.27%0.07236%0.355CS..Hα-helixtrans-65.6-42.4175.6-66.8170.3000109.9H543 Q546 L548 S549 D550 A554 A555 H560H543-I552 HydrophobicContact CB-CD1 4.45Å; H543-I552 VanDerWaalsContact CD2-CG2 3.48Å; H543-I552 WeakPolarHBondContact CD2-CG2 3.31Å; Q546-I552 HydrophobicContact CG-CD1 4.12Å; L548-I552 HydrophobicContact CD2-CB 4.38Å; L548-I552 HydrophobicContact CD2-CG2 3.6Å; S549-I552 PolarHBondContact O-N 3.1Å; S549-I552 PolarHBondContact OG-N 2.93Å; D550-I552 VanDerWaalsContact C-N 3.35Å; D550-I552 PolarHBondContact O-N 3.46Å; I552-A554 PolarHBondContact O-N 3.36Å; I552-A555 WeakPolarHBondContact O-CB 3.45Å; I552-A555 PolarHBondContact O-N 3.41Å; I552-H560 PolarHBondContact O-CE1 3Å
553R93.8Very high96.3Very high103 Ų10364.9 Ų64.939%0.38937%0.371SS..Hα-helixtrans-64.1-30.7179.1-67.7-176.5-175.186.611.8113E536 L548 S549 D550E536-R553 IonicContact OE1-CZ 3.52Å; E536-R553 IonicContact OE1-NE 2.68Å; E536-R553 IonicContact OE1-NH2 3.48Å; E536-R553 PolarHBondContact OE1-NH2 3.48Å; E536-R553 IonicContact OE2-CZ 2.96Å; E536-R553 IonicContact OE2-NE 3.68Å; E536-R553 PolarHBondContact OE2-NE 2.96Å; E536-R553 IonicContact OE2-NH2 3.7Å; L548-R553 PolarHBondContact O-NH1 3.15Å; L548-R553 PolarHBondContact O-NH2 3.38Å; S549-R553 PolarHBondContact O-N 3.18Å; S549-R553 VanDerWaalsContact O-N 3.07Å; D550-R553 PolarHBondContact O-N 3.26Å; D550-R553 IonicContact OD1-NH1 3.95Å; D550-R553 PolarHBondContact OD1-NH1 2.85Å
554A93.7Very high96.2Very high86 Ų8664.3 Ų64.371%0.71137%0.368SS*.Hα-helixtrans-91-6.9179.600000113.8D550 D551 I552D550-A554 WeakPolarHBondContact O-CB 3.49Å; D550-A554 PolarHBondContact O-N 2.89Å; D551-A554 PolarHBondContact O-N 3.01Å; I552-A554 PolarHBondContact O-N 3.36Å
555A96.4Very high96Very high24 Ų2464 Ų6420%0.19837%0.368CS..SBendtrans-66.2152-177.300000112D551 I552 C559D551-A555 WeakPolarHBondContact O-CB 3.23Å; D551-A555 PolarHBondContact O-N 3.37Å; I552-A555 WeakPolarHBondContact O-CB 3.45Å; I552-A555 PolarHBondContact O-N 3.41Å; A555-C559 HydrophobicContact CB-CB 4.07Å
556P95.4Very high95.7Very high70 Ų7065.9 Ų65.946%0.45537%0.367SS..  trans-64157.9174.327.6-35000111.5E220 S558 C559E220-P556 WeakPolarHBondContact OE1-CB 3.4Å; P556-S558 PolarHBondContact O-N 2.89Å; P556-C559 HydrophobicContact CG-CB 4.19Å; P556-C559 VanDerWaalsContact O-CB 3.29Å; P556-C559 WeakPolarHBondContact O-CB 3.49Å; P556-C559 PolarHBondContact O-N 2.92Å
557I95.3Very high95.7Very high33 Ų3363.5 Ų63.517%0.16936%0.355CS..Hα-helixtrans-62.9-34.3-179.7-60-55.3000110.7E220 F516 W517 C559 H560 V561E220-I557 PolarHBondContact OE1-N 3.32Å; F516-I557 HydrophobicContact CB-CG2 3.91Å; F516-I557 HydrophobicContact CD1-CD1 3.93Å; F516-I557 HydrophobicContact CD1-CG2 3.98Å; F516-I557 HydrophobicContact CD2-CG2 4.28Å; F516-I557 HydrophobicContact CE1-CD1 3.56Å; F516-I557 HydrophobicContact CE2-CD1 4.48Å; F516-I557 HydrophobicContact CG-CG2 3.8Å; F516-I557 HydrophobicContact CZ-CD1 3.86Å; W517-I557 HydrophobicContact CZ2-CG1 4.35Å; I557-C559 PolarHBondContact O-N 3.34Å; I557-H560 WeakPolarHBondContact O-CB 3.2Å; I557-H560 PolarHBondContact O-N 3.25Å; I557-V561 HydrophobicContact CG2-CG2 4.13Å; I557-V561 WeakPolarHBondContact O-CG2 3.31Å; I557-V561 PolarHBondContact O-N 3.37Å
558S96.3Very high95.8Very high49 Ų4963.5 Ų63.534%0.34335%0.346SS..Hα-helixtrans-53.7-36.6173.3570000113.3E220 P556 V561 Q562E220-S558 PolarHBondContact OE1-N 3.02Å; E220-S558 PolarHBondContact OE1-OG 3.47Å; E220-S558 WeakPolarHBondContact OE2-CB 3.14Å; E220-S558 PolarHBondContact OE2-OG 3.44Å; P556-S558 PolarHBondContact O-N 2.89Å; S558-V561 PolarHBondContact O-N 3.35Å; S558-Q562 WeakPolarHBondContact O-CB 3.2Å; S558-Q562 PolarHBondContact O-N 3.05Å
559C97.3Very high95.8Very high53 Ų5365.6 Ų65.636%0.35836%0.355SS..Hα-helixtrans-64-44.7175.11770000111.3A555 P556 I557 Q562 V563A555-C559 HydrophobicContact CB-CB 4.07Å; P556-C559 HydrophobicContact CG-CB 4.19Å; P556-C559 VanDerWaalsContact O-CB 3.29Å; P556-C559 WeakPolarHBondContact O-CB 3.49Å; P556-C559 PolarHBondContact O-N 2.92Å; I557-C559 PolarHBondContact O-N 3.34Å; C559-Q562 PolarHBondContact O-N 3.21Å; C559-V563 WeakPolarHBondContact O-CG2 3.42Å; C559-V563 PolarHBondContact O-N 2.81Å
560H97.9Very high95.9Very high4 Ų463.6 Ų63.62%0.01934%0.341CS..Hα-helixtrans-66.3-41.6178.9-55.9-25.3000112F516 L539 I542 H543 I552 I557 V563 A564F516-H560 HydrophobicContact CD2-CB 4.27Å; F516-H560 HydrophobicContact CE2-CB 4.03Å; F516-H560 AromaticContact CE2-CD2 3.93Å; L539-H560 HydrophobicContact CD2-CB 4.46Å; L539-H560 WeakPolarHBondContact CD2-CD2 3.47Å; L539-H560 WeakPolarHBondContact CD2-NE2 3.38Å; I542-H560 HydrophobicContact CD1-CB 4.39Å; H543-H560 AromaticContact CE1-ND1 3.74Å; H543-H560 AromaticContact NE2-CE1 3.67Å; H543-H560 AromaticContact NE2-CG 3.96Å; H543-H560 AromaticContact NE2-ND1 3.05Å; H543-H560 PolarHBondContact NE2-ND1 3.42Å; I552-H560 PolarHBondContact O-CE1 3Å; I557-H560 WeakPolarHBondContact O-CB 3.2Å; I557-H560 PolarHBondContact O-N 3.25Å; H560-V563 PolarHBondContact O-N 3.07Å; H560-A564 WeakPolarHBondContact O-CB 3.44Å; H560-A564 PolarHBondContact O-N 2.95Å
561V97.1Very high96Very high9 Ų957.9 Ų57.96%0.05531%0.31CS..Hα-helixtrans-59.4-47.4174.9167.80000110.7I510 S511 N512 I557 S558 V563 A564 H565I510-V561 HydrophobicContact CG2-CG2 4.38Å; S511-V561 VanDerWaalsContact C-CG1 3.4Å; S511-V561 VanDerWaalsContact O-CG1 3.31Å; S511-V561 WeakPolarHBondContact O-CG1 3.27Å; N512-V561 VanDerWaalsContact C-CG2 3.48Å; I557-V561 HydrophobicContact CG2-CG2 4.13Å; I557-V561 WeakPolarHBondContact O-CG2 3.31Å; I557-V561 PolarHBondContact O-N 3.37Å; S558-V561 PolarHBondContact O-N 3.35Å; V561-V563 PolarHBondContact O-N 2.91Å; V561-A564 PolarHBondContact O-N 2.99Å; V561-H565 WeakPolarHBondContact O-CB 3.43Å; V561-H565 PolarHBondContact O-N 3.12Å
562Q96.9Very high96.1Very high134 Ų13451.6 Ų51.663%0.62628%0.277SS*.Hα-helixtrans-57.8-38.2-179.7-175.359.548.300112.1S558 C559 H565S558-Q562 WeakPolarHBondContact O-CB 3.2Å; S558-Q562 PolarHBondContact O-N 3.05Å; C559-Q562 PolarHBondContact O-N 3.21Å; Q562-H565 PolarHBondContact O-CE1 3.41Å; Q562-H565 PolarHBondContact O-ND1 3.45Å
563V97.6Very high96.2Very high56 Ų5651.6 Ų51.634%0.33928%0.277SS..Hα-helixtrans-75.5-32.8176.7178.80000112.2I542 C559 H560 V561I542-V563 HydrophobicContact CG2-CB 4Å; I542-V563 HydrophobicContact CG2-CG1 3.92Å; I542-V563 WeakPolarHBondContact O-CG1 3.3Å; C559-V563 WeakPolarHBondContact O-CG2 3.42Å; C559-V563 PolarHBondContact O-N 2.81Å; H560-V563 PolarHBondContact O-N 3.07Å; V561-V563 PolarHBondContact O-N 2.91Å
564A97.3Very high96.4Very high0 Ų046.7 Ų46.70%026%0.258CS..Hα-helixtrans-90.7-25.6-171.100000115.2I510 I542 H560 V561 E566 K567I510-A564 HydrophobicContact CB-CB 3.84Å; I510-A564 HydrophobicContact CG2-CB 4.32Å; I542-A564 HydrophobicContact CB-CB 4.47Å; I542-A564 HydrophobicContact CD1-CB 4.18Å; I542-A564 HydrophobicContact CG1-CB 3.9Å; I542-A564 HydrophobicContact CG2-CB 3.9Å; H560-A564 WeakPolarHBondContact O-CB 3.44Å; H560-A564 PolarHBondContact O-N 2.95Å; V561-A564 PolarHBondContact O-N 2.99Å; A564-E566 VanDerWaalsContact C-N 3.27Å; A564-E566 PolarHBondContact O-N 2.88Å; A564-E566 VanDerWaalsContact O-N 3.15Å; A564-K567 WeakPolarHBondContact O-CB 3.49Å; A564-K567 PolarHBondContact O-N 3.01Å
565H92.7Very high96.7Very high57 Ų5742.6 Ų42.626%0.26422%0.224SC..THydrogen-bonded Turntrans-61.6-29.4-165.377.2-65.5000114.9I510 V561 Q562I510-H565 WeakPolarHBondContact O-CA 3.36Å; V561-H565 WeakPolarHBondContact O-CB 3.43Å; V561-H565 PolarHBondContact O-N 3.12Å; Q562-H565 PolarHBondContact O-CE1 3.41Å; Q562-H565 PolarHBondContact O-ND1 3.45Å
566E92.1Very high96.7Very high150 Ų15041.5 Ų41.570%0.70122%0.215SC*.THydrogen-bonded Turntrans-94.9-4.7175.8-73.217516500113.2R509 A564R509-E566 VanDerWaalsContact NH1-C 3.27Å; R509-E566 PolarHBondContact NH1-O 3.25Å; A564-E566 VanDerWaalsContact C-N 3.27Å; A564-E566 PolarHBondContact O-N 2.88Å; A564-E566 VanDerWaalsContact O-N 3.15Å
567K95.9Very high96.9Very high64 Ų6438.4 Ų38.428%0.27820%0.195SC..  trans-82.6142.1179.1-66.9-170.5169.1-163.30111.4I542 F544 A564 V570I542-K567 WeakPolarHBondContact O-CE 3.41Å; I542-K567 PolarHBondContact O-NZ 3.4Å; F544-K567 PolarHBondContact O-NZ 3.05Å; A564-K567 WeakPolarHBondContact O-CB 3.49Å; A564-K567 PolarHBondContact O-N 3.01Å; K567-V570 HydrophobicContact CB-CG2 3.55Å
568E94.6Very high96.9Very high106 Ų10637.3 Ų37.350%0.49519%0.19SC..SBendtrans-97.2155.8174.9-69.9167.8-160.700110.3R509 V570R509-E568 IonicContact CZ-OE1 3.58Å; R509-E568 IonicContact NH1-OE1 2.85Å; R509-E568 IonicContact NH2-OE1 3.01Å; R509-E568 PolarHBondContact NH2-OE1 2.93Å; E568-V570 PolarHBondContact O-N 2.91Å
569Q97.1Very high96.9Very high67 Ų6736 Ų3631%0.31318%0.179SC..SBendtrans57.522.3166.6-59.9175.9-11.300115.3D507 I571 P572 I573 L591 V597D507-Q569 VanDerWaalsContact OD1-CG 3.26Å; D507-Q569 WeakPolarHBondContact OD1-CG 3.41Å; D507-Q569 PolarHBondContact OD1-N 3.36Å; Q569-I571 VanDerWaalsContact C-N 3.34Å; Q569-I571 PolarHBondContact O-N 3.4Å; Q569-P572 HydrophobicContact CB-CG 3.87Å; Q569-P572 HydrophobicContact CG-CG 4.46Å; Q569-P572 VanDerWaalsContact O-CD 3.25Å; Q569-P572 WeakPolarHBondContact O-CD 3.31Å; Q569-P572 VanDerWaalsContact O-CG 3.27Å; Q569-P572 WeakPolarHBondContact O-CG 3.23Å; Q569-I573 HydrophobicContact CB-CD1 4.21Å; Q569-I573 WeakPolarHBondContact O-CB 3.32Å; Q569-I573 WeakPolarHBondContact O-CD1 3.41Å; Q569-I573 WeakPolarHBondContact O-CG1 3.35Å; Q569-I573 PolarHBondContact O-N 2.94Å; Q569-I573 VanDerWaalsContact O-N 3.08Å; Q569-L591 HydrophobicContact CB-CD2 3.82Å; Q569-L591 HydrophobicContact CG-CD2 4.14Å; Q569-L591 VanDerWaalsContact OE1-CD2 3.25Å; Q569-V597 HydrophobicContact CG-CG1 3.97Å
570V98.3Very high96.8Very high3 Ų337.7 Ų37.72%0.01818%0.18CC..Hα-helixtrans-59.3-45-177.6176.90000111.4I510 L538 A541 I542 K567 E568 A574I510-V570 HydrophobicContact CD1-CB 4.44Å; I510-V570 HydrophobicContact CD1-CG1 3.9Å; L538-V570 HydrophobicContact CD1-CG1 4.13Å; A541-V570 HydrophobicContact CB-CG1 4.11Å; I542-V570 HydrophobicContact CG1-CG1 3.71Å; K567-V570 HydrophobicContact CB-CG2 3.55Å; E568-V570 PolarHBondContact O-N 2.91Å; V570-A574 WeakPolarHBondContact O-CB 3.37Å; V570-A574 PolarHBondContact O-N 3.2Å
571I98.3Very high96.7Very high1 Ų147.3 Ų47.31%0.00522%0.216CC..Hα-helixtrans-67.3-51.8-179.1-64.5147.9000112.3L506 L508 A519 M522 L523 Q569 I573 A574 L575L506-I571 HydrophobicContact CD1-CG2 4.03Å; L508-I571 HydrophobicContact CB-CD1 3.68Å; L508-I571 HydrophobicContact CD2-CD1 4.19Å; L508-I571 HydrophobicContact CG-CD1 4.39Å; A519-I571 HydrophobicContact CB-CD1 3.94Å; A519-I571 HydrophobicContact CB-CG1 3.74Å; M522-I571 HydrophobicContact CE-CD1 3.37Å; M522-I571 HydrophobicContact CE-CG1 4.21Å; M522-I571 HydrophobicContact CE-CG2 4.38Å; L523-I571 HydrophobicContact CD2-CG2 4.2Å; Q569-I571 VanDerWaalsContact C-N 3.34Å; Q569-I571 PolarHBondContact O-N 3.4Å; I571-I573 VanDerWaalsContact C-N 3.28Å; I571-I573 PolarHBondContact O-N 3.29Å; I571-A574 PolarHBondContact O-N 2.71Å; I571-L575 VanDerWaalsContact O-CB 3.26Å; I571-L575 WeakPolarHBondContact O-CB 3.36Å; I571-L575 PolarHBondContact O-N 3.06Å
572P98.3Very high96.7Very high0 Ų047.9 Ų47.90%022%0.221CC..Hα-helixtrans-62-37.217920.6-32000111.6L506 Q569 L575 L576 L591 V597 V601L506-P572 HydrophobicContact CD1-CB 4.28Å; L506-P572 HydrophobicContact CG-CB 4.27Å; L506-P572 HydrophobicContact CG-CG 4.49Å; L506-P572 VanDerWaalsContact O-CD 3.26Å; L506-P572 WeakPolarHBondContact O-CD 3.35Å; Q569-P572 HydrophobicContact CB-CG 3.87Å; Q569-P572 HydrophobicContact CG-CG 4.46Å; Q569-P572 VanDerWaalsContact O-CD 3.25Å; Q569-P572 WeakPolarHBondContact O-CD 3.31Å; Q569-P572 VanDerWaalsContact O-CG 3.27Å; Q569-P572 WeakPolarHBondContact O-CG 3.23Å; P572-L575 PolarHBondContact O-N 3.07Å; P572-L576 WeakPolarHBondContact O-CB 3.46Å; P572-L576 WeakPolarHBondContact O-CG 3.38Å; P572-L576 PolarHBondContact O-N 3Å; P572-L591 HydrophobicContact CB-CD1 4.26Å; P572-L591 HydrophobicContact CB-CD2 4.31Å; P572-L591 HydrophobicContact CG-CD2 4.22Å; P572-V597 HydrophobicContact CB-CB 4.38Å; P572-V597 HydrophobicContact CG-CB 4.28Å; P572-V597 HydrophobicContact CG-CG1 4.22Å; P572-V601 HydrophobicContact CB-CG2 4.13Å
573I98.6Very high96.7Very high15 Ų1543.8 Ų43.88%0.07721%0.206CC..Hα-helixtrans-60.7-50.3173.8-68.7167.4000111A541 Q569 I571 L575 S577 I584 A587 Q588 L591A541-I573 HydrophobicContact CB-CG2 4.2Å; Q569-I573 HydrophobicContact CB-CD1 4.21Å; Q569-I573 WeakPolarHBondContact O-CB 3.32Å; Q569-I573 WeakPolarHBondContact O-CD1 3.41Å; Q569-I573 WeakPolarHBondContact O-CG1 3.35Å; Q569-I573 PolarHBondContact O-N 2.94Å; Q569-I573 VanDerWaalsContact O-N 3.08Å; I571-I573 VanDerWaalsContact C-N 3.28Å; I571-I573 PolarHBondContact O-N 3.29Å; I573-L575 VanDerWaalsContact C-N 3.3Å; I573-L575 PolarHBondContact O-N 3.29Å; I573-S577 WeakPolarHBondContact O-CB 3.12Å; I573-S577 PolarHBondContact O-N 3.43Å; I573-I584 HydrophobicContact CG2-CD1 4.05Å; I573-I584 HydrophobicContact CG2-CG2 3.78Å; I573-A587 HydrophobicContact CG2-CB 4.33Å; I573-Q588 HydrophobicContact CD1-CG 3.84Å; I573-Q588 HydrophobicContact CG1-CG 4.12Å; I573-Q588 HydrophobicContact CG2-CG 4.44Å; I573-L591 HydrophobicContact CG1-CD2 3.97Å
574A98.4Very high96.8Very high0 Ų041.4 Ų41.40%019%0.192CC..Hα-helixtrans-62.4-37.2178.400000112.4L523 S537 A541 V570 I571 L578L523-A574 HydrophobicContact CD1-CB 3.98Å; L523-A574 HydrophobicContact CD2-CB 4.04Å; S537-A574 PolarHBondContact OG-O 3.07Å; A541-A574 HydrophobicContact CB-CB 3.81Å; V570-A574 WeakPolarHBondContact O-CB 3.37Å; V570-A574 PolarHBondContact O-N 3.2Å; I571-A574 PolarHBondContact O-N 2.71Å; A574-L578 VanDerWaalsContact O-CG 3.32Å; A574-L578 WeakPolarHBondContact O-CG 3.33Å; A574-L578 PolarHBondContact O-N 2.91Å; A574-L578 VanDerWaalsContact O-N 3.11Å
575L98.2Very high96.8Very high0 Ų045 Ų450%021%0.214CC..Hα-helixtrans-72-46.8-180-176.755.8000111.7L506 L523 F526 I571 P572 I573 S577 L578 L579 V601L506-L575 HydrophobicContact CD1-CD2 4.39Å; L523-L575 HydrophobicContact CD2-CB 3.7Å; L523-L575 HydrophobicContact CD2-CD1 4.25Å; L523-L575 HydrophobicContact CD2-CG 4.5Å; F526-L575 HydrophobicContact CB-CD1 3.91Å; F526-L575 HydrophobicContact CB-CD2 3.77Å; F526-L575 HydrophobicContact CD2-CD2 4.44Å; F526-L575 HydrophobicContact CG-CD2 4.34Å; I571-L575 VanDerWaalsContact O-CB 3.26Å; I571-L575 WeakPolarHBondContact O-CB 3.36Å; I571-L575 PolarHBondContact O-N 3.06Å; P572-L575 PolarHBondContact O-N 3.07Å; I573-L575 VanDerWaalsContact C-N 3.3Å; I573-L575 PolarHBondContact O-N 3.29Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 2.94Å; L575-L578 WeakPolarHBondContact O-CA 3.42Å; L575-L578 WeakPolarHBondContact O-CB 3.37Å; L575-L578 PolarHBondContact O-N 3.3Å; L575-L579 HydrophobicContact CD1-CD1 4.17Å; L575-L579 HydrophobicContact CD1-CD2 4.48Å; L575-L579 HydrophobicContact CD1-CG 4.08Å; L575-L579 HydrophobicContact CG-CD1 3.93Å; L575-L579 HydrophobicContact CG-CG 4.28Å; L575-L579 VanDerWaalsContact O-CG 3.29Å; L575-L579 WeakPolarHBondContact O-CG 3.49Å; L575-L579 PolarHBondContact O-N 3.12Å; L575-V601 HydrophobicContact CD2-CG1 3.54Å; L575-V601 HydrophobicContact CD2-CG2 4.29Å; L575-V601 HydrophobicContact CG-CG1 4.36Å
576L98.2Very high97.1Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-61.9-39.8176.2-69174.3000111.2P572 L578 L579 F580 A587 H590 L591 A600 V601 A604P572-L576 WeakPolarHBondContact O-CB 3.46Å; P572-L576 WeakPolarHBondContact O-CG 3.38Å; P572-L576 PolarHBondContact O-N 3Å; L576-L578 VanDerWaalsContact C-N 3.29Å; L576-L578 PolarHBondContact O-N 2.76Å; L576-L579 PolarHBondContact O-N 3.21Å; L576-F580 HydrophobicContact CB-CD2 4.37Å; L576-F580 HydrophobicContact CD2-CD2 4.36Å; L576-F580 HydrophobicContact CD2-CE2 3.84Å; L576-F580 WeakPolarHBondContact O-CB 3.43Å; L576-F580 PolarHBondContact O-N 3Å; L576-A587 HydrophobicContact CB-CB 4.03Å; L576-H590 HydrophobicContact CD1-CB 4.43Å; L576-L591 HydrophobicContact CD1-CB 4.17Å; L576-L591 HydrophobicContact CD1-CD1 4.07Å; L576-A600 HydrophobicContact CD1-CB 4.28Å; L576-V601 HydrophobicContact CD2-CG2 4.17Å; L576-V601 HydrophobicContact CG-CG2 4.31Å; L576-A604 HydrophobicContact CD2-CB 3.56Å
577S98.1Very high97.3Very high6 Ų640 Ų404%0.04219%0.191CC..Hα-helixtrans-59.2-39.4172179.70000112I573 L575 R581 C582I573-S577 WeakPolarHBondContact O-CB 3.12Å; I573-S577 PolarHBondContact O-N 3.43Å; L575-S577 VanDerWaalsContact C-N 3.3Å; L575-S577 PolarHBondContact O-N 2.94Å; S577-R581 WeakPolarHBondContact O-CA 3.46Å; S577-R581 PolarHBondContact O-N 2.91Å; S577-C582 PolarHBondContact O-N 3.27Å; S577-C582 PolarHBondContact OG-O 3.46Å
578L96.4Very high97.4Very high9 Ų940.7 Ų40.75%0.04720%0.195CC..Hα-helixtrans-68-45.2174.8-75.5167000112.7L523 Q529 R533 A574 L575 L576L523-L578 HydrophobicContact CB-CD1 4.13Å; L523-L578 HydrophobicContact CD1-CD1 4.26Å; L523-L578 HydrophobicContact CD2-CD1 4.23Å; L523-L578 HydrophobicContact CG-CD1 4.44Å; Q529-L578 PolarHBondContact NE2-O 3.29Å; R533-L578 HydrophobicContact CB-CD2 4.35Å; A574-L578 VanDerWaalsContact O-CG 3.32Å; A574-L578 WeakPolarHBondContact O-CG 3.33Å; A574-L578 PolarHBondContact O-N 2.91Å; A574-L578 VanDerWaalsContact O-N 3.11Å; L575-L578 WeakPolarHBondContact O-CA 3.42Å; L575-L578 WeakPolarHBondContact O-CB 3.37Å; L575-L578 PolarHBondContact O-N 3.3Å; L576-L578 VanDerWaalsContact C-N 3.29Å; L576-L578 PolarHBondContact O-N 2.76Å
579L95.1Very high97.6Very high22 Ų2238.5 Ų38.512%0.11520%0.195CC..Hα-helixtrans-68.9-47.5-175-68175.3000111.6L575 L576 V601 A604 L605L575-L579 HydrophobicContact CD1-CD1 4.17Å; L575-L579 HydrophobicContact CD1-CD2 4.48Å; L575-L579 HydrophobicContact CD1-CG 4.08Å; L575-L579 HydrophobicContact CG-CD1 3.93Å; L575-L579 HydrophobicContact CG-CG 4.28Å; L575-L579 VanDerWaalsContact O-CG 3.29Å; L575-L579 WeakPolarHBondContact O-CG 3.49Å; L575-L579 PolarHBondContact O-N 3.12Å; L576-L579 PolarHBondContact O-N 3.21Å; L579-V601 HydrophobicContact CD1-CG1 4.47Å; L579-A604 HydrophobicContact CB-CB 4.46Å; L579-A604 HydrophobicContact CD1-CB 3.78Å; L579-L605 HydrophobicContact CD1-CD2 3.87Å; L579-L605 HydrophobicContact CD1-CG 4.09Å; L579-L605 HydrophobicContact CD2-CD2 3.78Å
580F95.8Very high97.6Very high88 Ų8839.7 Ų39.739%0.38620%0.2SC..Hα-helixtrans-87.7-10.2-179.9-64.8-51.3000114L576 C582 H590 A604L576-F580 HydrophobicContact CB-CD2 4.37Å; L576-F580 HydrophobicContact CD2-CD2 4.36Å; L576-F580 HydrophobicContact CD2-CE2 3.84Å; L576-F580 WeakPolarHBondContact O-CB 3.43Å; L576-F580 PolarHBondContact O-N 3Å; F580-C582 HydrophobicContact CB-CB 4.15Å; F580-C582 PolarHBondContact O-N 3.39Å; F580-H590 AromaticContact CD2-CD2 3.86Å; F580-H590 HydrophobicContact CE2-CB 4.42Å; F580-A604 HydrophobicContact CE1-CB 4.01Å; F580-A604 HydrophobicContact CE2-CB 3.72Å; F580-A604 HydrophobicContact CZ-CB 3.36Å
581R96.1Very high97.5Very high207 Ų20740 Ų4078%0.78120%0.202SC*.THydrogen-bonded Turntrans54.841.4-172.1-55.7179.8178.1178.60.5112.1S577S577-R581 WeakPolarHBondContact O-CA 3.46Å; S577-R581 PolarHBondContact O-N 2.91Å
582C96.9Very high97.4Very high21 Ų2144.2 Ų44.214%0.14224%0.237CC..  trans-109.3169.9-176.869.20000112.2S577 F580 E586S577-C582 PolarHBondContact O-N 3.27Å; S577-C582 PolarHBondContact OG-O 3.46Å; F580-C582 HydrophobicContact CB-CB 4.15Å; F580-C582 PolarHBondContact O-N 3.39Å; C582-E586 HydrophobicContact CB-CB 3.8Å; C582-E586 WeakPolarHBondContact CB-OE2 3.42Å
583S97.9Very high97.3Very high47 Ų4748.5 Ų48.533%0.32927%0.272SS..  trans-66.6164172.865.20000112.3T585 E586 A587S583-T585 VanDerWaalsContact C-N 3.28Å; S583-T585 PolarHBondContact O-N 3.48Å; S583-T585 PolarHBondContact OG-OG1 3.02Å; S583-E586 WeakPolarHBondContact CB-OE2 3.29Å; S583-E586 PolarHBondContact N-OE2 3.05Å; S583-E586 PolarHBondContact O-N 3.27Å; S583-E586 WeakPolarHBondContact OG-CB 3.45Å; S583-E586 VanDerWaalsContact OG-CD 3.23Å; S583-E586 VanDerWaalsContact OG-CG 3.23Å; S583-E586 WeakPolarHBondContact OG-CG 3.49Å; S583-E586 PolarHBondContact OG-N 2.92Å; S583-E586 PolarHBondContact OG-OE2 2.77Å; S583-A587 PolarHBondContact O-N 3.21Å
584I98.2Very high97.1Very high7 Ų749.1 Ų49.14%0.03628%0.279CS..Hα-helixtrans-61.5-38.5175.8-62.4-59.2000111.4R540 A541 F544 I573 A587 Q588R540-I584 HydrophobicContact CB-CD1 4.43Å; R540-I584 HydrophobicContact CG-CD1 4.12Å; R540-I584 HydrophobicContact CG-CG1 3.79Å; A541-I584 HydrophobicContact CB-CD1 4.17Å; F544-I584 HydrophobicContact CB-CG2 4.03Å; F544-I584 HydrophobicContact CD1-CG2 3.87Å; F544-I584 HydrophobicContact CD2-CB 3.7Å; F544-I584 HydrophobicContact CD2-CG1 4.09Å; F544-I584 HydrophobicContact CD2-CG2 3.66Å; F544-I584 HydrophobicContact CE1-CG2 4.27Å; F544-I584 HydrophobicContact CE2-CB 4.01Å; F544-I584 HydrophobicContact CE2-CG2 4.1Å; F544-I584 HydrophobicContact CG-CB 4.13Å; F544-I584 HydrophobicContact CG-CG2 3.56Å; F544-I584 HydrophobicContact CZ-CG2 4.39Å; I573-I584 HydrophobicContact CG2-CD1 4.05Å; I573-I584 HydrophobicContact CG2-CG2 3.78Å; I584-A587 PolarHBondContact O-N 3.02Å; I584-Q588 HydrophobicContact CG2-CG 4.46Å; I584-Q588 VanDerWaalsContact O-CG 3.31Å; I584-Q588 WeakPolarHBondContact O-CG 3.4Å; I584-Q588 PolarHBondContact O-N 3.15Å
585T97.9Very high97Very high76 Ų7654.9 Ų54.947%0.46632%0.317SS..Hα-helixtrans-66.3-38.6177.945.10000112.6F544 S583 Q588 A589F544-T585 HydrophobicContact CE2-CG2 4.13Å; F544-T585 HydrophobicContact CZ-CG2 3.59Å; S583-T585 VanDerWaalsContact C-N 3.28Å; S583-T585 PolarHBondContact O-N 3.48Å; S583-T585 PolarHBondContact OG-OG1 3.02Å; T585-Q588 PolarHBondContact O-N 3.41Å; T585-A589 PolarHBondContact O-N 3.27Å
586E97.9Very high96.9Very high101 Ų10155.9 Ų55.947%0.47232%0.324SS..Hα-helixtrans-68.3-41.3174.4-72.6161.9142.500111C582 S583 Q588 A589 H590C582-E586 HydrophobicContact CB-CB 3.8Å; C582-E586 WeakPolarHBondContact CB-OE2 3.42Å; S583-E586 WeakPolarHBondContact CB-OE2 3.29Å; S583-E586 PolarHBondContact N-OE2 3.05Å; S583-E586 PolarHBondContact O-N 3.27Å; S583-E586 WeakPolarHBondContact OG-CB 3.45Å; S583-E586 VanDerWaalsContact OG-CD 3.23Å; S583-E586 VanDerWaalsContact OG-CG 3.23Å; S583-E586 WeakPolarHBondContact OG-CG 3.49Å; S583-E586 PolarHBondContact OG-N 2.92Å; S583-E586 PolarHBondContact OG-OE2 2.77Å; E586-Q588 VanDerWaalsContact C-N 3.34Å; E586-Q588 PolarHBondContact O-N 2.83Å; E586-A589 WeakPolarHBondContact O-CB 3.48Å; E586-A589 PolarHBondContact O-N 3.31Å; E586-H590 PolarHBondContact O-CD2 3.43Å; E586-H590 PolarHBondContact O-N 3.13Å
587A97.9Very high96.8Very high0 Ų056.3 Ų56.30%033%0.327CS..Hα-helixtrans-60.6-42174.500000112.1I573 L576 S583 I584 H590 L591I573-A587 HydrophobicContact CG2-CB 4.33Å; L576-A587 HydrophobicContact CB-CB 4.03Å; S583-A587 PolarHBondContact O-N 3.21Å; I584-A587 PolarHBondContact O-N 3.02Å; A587-H590 PolarHBondContact O-N 2.77Å; A587-L591 PolarHBondContact O-N 2.88Å
588Q98.2Very high96.7Very high78 Ų7856.1 Ų56.136%0.36433%0.325SS..Hα-helixtrans-62-40.8173.2-75.1172.9-33.500112.1I573 I584 T585 E586 L591 A592I573-Q588 HydrophobicContact CD1-CG 3.84Å; I573-Q588 HydrophobicContact CG1-CG 4.12Å; I573-Q588 HydrophobicContact CG2-CG 4.44Å; I584-Q588 HydrophobicContact CG2-CG 4.46Å; I584-Q588 VanDerWaalsContact O-CG 3.31Å; I584-Q588 WeakPolarHBondContact O-CG 3.4Å; I584-Q588 PolarHBondContact O-N 3.15Å; T585-Q588 PolarHBondContact O-N 3.41Å; E586-Q588 VanDerWaalsContact C-N 3.34Å; E586-Q588 PolarHBondContact O-N 2.83Å; Q588-L591 PolarHBondContact O-N 3.17Å; Q588-A592 WeakPolarHBondContact O-CB 3.5Å; Q588-A592 PolarHBondContact O-N 3.24Å
589A97.4Very high96.7Very high61 Ų6159.3 Ų59.350%0.50434%0.34SS..Hα-helixtrans-64.6-41.6176.800000112.1T585 E586 L591 A592 A593T585-A589 PolarHBondContact O-N 3.27Å; E586-A589 WeakPolarHBondContact O-CB 3.48Å; E586-A589 PolarHBondContact O-N 3.31Å; A589-L591 VanDerWaalsContact C-N 3.31Å; A589-L591 PolarHBondContact O-N 3.06Å; A589-A592 PolarHBondContact O-N 2.83Å; A589-A593 WeakPolarHBondContact O-CB 3.41Å; A589-A593 PolarHBondContact O-N 3.2Å; A589-A593 VanDerWaalsContact O-N 3.13Å
590H96.6Very high96.8Very high91 Ų9158.7 Ų58.742%0.42134%0.338SS..Hα-helixtrans-60.7-41.2172.9-76.5-64.1000112.2L576 F580 E586 A587 A593L576-H590 HydrophobicContact CD1-CB 4.43Å; F580-H590 AromaticContact CD2-CD2 3.86Å; F580-H590 HydrophobicContact CE2-CB 4.42Å; E586-H590 PolarHBondContact O-CD2 3.43Å; E586-H590 PolarHBondContact O-N 3.13Å; A587-H590 PolarHBondContact O-N 2.77Å; H590-A593 PolarHBondContact O-N 3.35Å
591L96.1Very high96.8Very high10 Ų1054.5 Ų54.55%0.05232%0.32CS..Hα-helixtrans-67.6-42.8179.4-164.459.9000111.9Q569 P572 I573 L576 A587 Q588 A589 A593 A594 V597 A600Q569-L591 HydrophobicContact CB-CD2 3.82Å; Q569-L591 HydrophobicContact CG-CD2 4.14Å; Q569-L591 VanDerWaalsContact OE1-CD2 3.25Å; P572-L591 HydrophobicContact CB-CD1 4.26Å; P572-L591 HydrophobicContact CB-CD2 4.31Å; P572-L591 HydrophobicContact CG-CD2 4.22Å; I573-L591 HydrophobicContact CG1-CD2 3.97Å; L576-L591 HydrophobicContact CD1-CB 4.17Å; L576-L591 HydrophobicContact CD1-CD1 4.07Å; A587-L591 PolarHBondContact O-N 2.88Å; Q588-L591 PolarHBondContact O-N 3.17Å; A589-L591 VanDerWaalsContact C-N 3.31Å; A589-L591 PolarHBondContact O-N 3.06Å; L591-A593 PolarHBondContact O-N 3.28Å; L591-A594 PolarHBondContact O-N 3.41Å; L591-V597 HydrophobicContact CD1-CB 4.18Å; L591-V597 HydrophobicContact CD1-CG1 3.97Å; L591-V597 HydrophobicContact CD2-CG1 4.42Å; L591-V597 HydrophobicContact CG-CG1 4.5Å; L591-A600 HydrophobicContact CD1-CB 3.52Å
592A96.4Very high96.8Very high89 Ų8948.9 Ų48.974%0.73630%0.298SS*.Hα-helixtrans-66.2-25.4178.100000113.4Q588 A589 A594Q588-A592 WeakPolarHBondContact O-CB 3.5Å; Q588-A592 PolarHBondContact O-N 3.24Å; A589-A592 PolarHBondContact O-N 2.83Å; A592-A594 VanDerWaalsContact C-N 3.34Å
593A95.8Very high96.7Very high90 Ų9052 Ų5274%0.74432%0.32SS*.THydrogen-bonded Turntrans-81.5-12177.300000113.6A589 H590 L591A589-A593 WeakPolarHBondContact O-CB 3.41Å; A589-A593 PolarHBondContact O-N 3.2Å; A589-A593 VanDerWaalsContact O-N 3.13Å; H590-A593 PolarHBondContact O-N 3.35Å; L591-A593 PolarHBondContact O-N 3.28Å
594A96.2Very high96.5Very high28 Ų2850.1 Ų50.123%0.23131%0.308CS..SBendtrans-96153.1-177.400000111.9L591 A592 S596 A600L591-A594 PolarHBondContact O-N 3.41Å; A592-A594 VanDerWaalsContact C-N 3.34Å; A594-S596 VanDerWaalsContact C-N 3.29Å; A594-S596 PolarHBondContact O-N 3.14Å; A594-A600 HydrophobicContact CB-CB 3.54Å
595P94.7Very high96.1Very high121 Ų12152.4 Ų52.479%0.78632%0.32SS*.SBendtrans-70.1-25.4178.428.3-35000113.2E599P595-E599 HydrophobicContact CG-CB 3.9Å; P595-E599 HydrophobicContact CG-CG 4.12Å
596S96.4Very high95.6Very high22 Ų2253 Ų5315%0.15433%0.333CS..SBendtrans-154.4164.7177.370.50000111.1A594 C598 E599 A600A594-S596 VanDerWaalsContact C-N 3.29Å; A594-S596 PolarHBondContact O-N 3.14Å; S596-C598 VanDerWaalsContact C-N 3.26Å; S596-C598 PolarHBondContact O-N 2.87Å; S596-E599 PolarHBondContact O-N 2.69Å; S596-E599 PolarHBondContact OG-N 3.48Å; S596-A600 PolarHBondContact O-N 2.9Å; S596-A600 VanDerWaalsContact O-N 3.07Å
597V95.7Very high94.2Very high8 Ų849.6 Ų49.65%0.04832%0.324CS..Hα-helixtrans-62.2-35.8175-58.80000111.7G498 L506 D507 Q569 P572 L591 V601G498-V597 VanDerWaalsContact O-CG2 3.23Å; G498-V597 WeakPolarHBondContact O-CG2 3.41Å; L506-V597 HydrophobicContact CD2-CB 4.14Å; L506-V597 HydrophobicContact CD2-CG2 4.01Å; L506-V597 WeakPolarHBondContact CD2-O 3.5Å; L506-V597 HydrophobicContact CG-CG2 4.34Å; D507-V597 HydrophobicContact CB-CG2 4.24Å; Q569-V597 HydrophobicContact CG-CG1 3.97Å; P572-V597 HydrophobicContact CB-CB 4.38Å; P572-V597 HydrophobicContact CG-CB 4.28Å; P572-V597 HydrophobicContact CG-CG1 4.22Å; L591-V597 HydrophobicContact CD1-CB 4.18Å; L591-V597 HydrophobicContact CD1-CG1 3.97Å; L591-V597 HydrophobicContact CD2-CG1 4.42Å; L591-V597 HydrophobicContact CG-CG1 4.5Å; V597-V601 WeakPolarHBondContact O-CG2 3.44Å; V597-V601 PolarHBondContact O-N 3.26Å
598C96.8Very high91.6Very high2 Ų256.6 Ų56.61%0.01437%0.37CS..Hα-helixtrans-62.8-50.6176.6-178.50000111.6G498 I500 S596 A600 V601 R602G498-C598 WeakPolarHBondContact O-CB 3.45Å; G498-C598 PolarHBondContact O-N 3.47Å; G498-C598 VanDerWaalsContact O-N 3.07Å; I500-C598 VanDerWaalsContact O-CB 3.24Å; I500-C598 WeakPolarHBondContact O-CB 3.19Å; I500-C598 PolarHBondContact O-SG 2.81Å; S596-C598 VanDerWaalsContact C-N 3.26Å; S596-C598 PolarHBondContact O-N 2.87Å; C598-A600 VanDerWaalsContact C-N 3.34Å; C598-A600 PolarHBondContact O-N 3.17Å; C598-V601 PolarHBondContact O-N 3Å; C598-R602 WeakPolarHBondContact O-CB 3.48Å; C598-R602 WeakPolarHBondContact O-CG 3.37Å; C598-R602 PolarHBondContact O-N 3.48Å; C598-R602 VanDerWaalsContact SG-CD 3.56Å
599E96.7Very high89.3Confident77 Ų7756.6 Ų56.636%0.3639%0.391SS..Hα-helixtrans-67.1-35.3-178.5-72-57.4121.300112.3P595 S596 V601 R602 S603P595-E599 HydrophobicContact CG-CB 3.9Å; P595-E599 HydrophobicContact CG-CG 4.12Å; S596-E599 PolarHBondContact O-N 2.69Å; S596-E599 PolarHBondContact OG-N 3.48Å; E599-V601 VanDerWaalsContact C-N 3.34Å; E599-V601 PolarHBondContact O-N 3.44Å; E599-R602 PolarHBondContact O-N 3.35Å; E599-R602 IonicContact OE1-CZ 3.32Å; E599-R602 IonicContact OE1-NE 3.75Å; E599-R602 IonicContact OE1-NH1 2.68Å; E599-R602 PolarHBondContact OE1-NH1 2.99Å; E599-S603 VanDerWaalsContact O-CB 3.23Å; E599-S603 WeakPolarHBondContact O-CB 3.35Å; E599-S603 PolarHBondContact O-N 2.69Å
600A96.9Very high87Confident9 Ų958 Ų587%0.07439%0.387CS..Hα-helixtrans-56.2-49173.100000111.7L576 L591 A594 S596 C598 A604L576-A600 HydrophobicContact CD1-CB 4.28Å; L591-A600 HydrophobicContact CD1-CB 3.52Å; A594-A600 HydrophobicContact CB-CB 3.54Å; S596-A600 PolarHBondContact O-N 2.9Å; S596-A600 VanDerWaalsContact O-N 3.07Å; C598-A600 VanDerWaalsContact C-N 3.34Å; C598-A600 PolarHBondContact O-N 3.17Å; A600-A604 PolarHBondContact O-N 3.15Å; A600-A604 VanDerWaalsContact O-N 3.16Å
601V96.4Very high84.2Confident0 Ų063.3 Ų63.30%041%0.409CS..Hα-helixtrans-74.9-40.3-177.7177.70000111.7L501 L506 P572 L575 L576 L579 V597 C598 E599 S603 A604 L605L501-V601 HydrophobicContact CD2-CB 4.39Å; L501-V601 HydrophobicContact CD2-CG1 3.61Å; L506-V601 HydrophobicContact CD1-CG2 4.32Å; L506-V601 HydrophobicContact CD2-CB 4.13Å; L506-V601 HydrophobicContact CD2-CG2 3.78Å; P572-V601 HydrophobicContact CB-CG2 4.13Å; L575-V601 HydrophobicContact CD2-CG1 3.54Å; L575-V601 HydrophobicContact CD2-CG2 4.29Å; L575-V601 HydrophobicContact CG-CG1 4.36Å; L576-V601 HydrophobicContact CD2-CG2 4.17Å; L576-V601 HydrophobicContact CG-CG2 4.31Å; L579-V601 HydrophobicContact CD1-CG1 4.47Å; V597-V601 WeakPolarHBondContact O-CG2 3.44Å; V597-V601 PolarHBondContact O-N 3.26Å; C598-V601 PolarHBondContact O-N 3Å; E599-V601 VanDerWaalsContact C-N 3.34Å; E599-V601 PolarHBondContact O-N 3.44Å; V601-S603 VanDerWaalsContact C-N 3.31Å; V601-S603 PolarHBondContact O-N 3.32Å; V601-A604 WeakPolarHBondContact O-CB 3.31Å; V601-A604 PolarHBondContact O-N 3.48Å; V601-L605 HydrophobicContact CG1-CD1 3.95Å; V601-L605 HydrophobicContact CG1-CG 4.29Å; V601-L605 WeakPolarHBondContact O-CG 3.37Å; V601-L605 PolarHBondContact O-N 3.42Å
602R95.1Very high81.6Confident88 Ų8874.5 Ų74.533%0.33245%0.451SS..Hα-helixtrans-58.7-43.7175.2-76.6179.564.8-171.75.3111.7L501 C598 E599 L605 A606L501-R602 HydrophobicContact CD1-CG 3.67Å; C598-R602 WeakPolarHBondContact O-CB 3.48Å; C598-R602 WeakPolarHBondContact O-CG 3.37Å; C598-R602 PolarHBondContact O-N 3.48Å; C598-R602 VanDerWaalsContact SG-CD 3.56Å; E599-R602 PolarHBondContact O-N 3.35Å; E599-R602 IonicContact OE1-CZ 3.32Å; E599-R602 IonicContact OE1-NE 3.75Å; E599-R602 IonicContact OE1-NH1 2.68Å; E599-R602 PolarHBondContact OE1-NH1 2.99Å; R602-L605 PolarHBondContact O-N 3.38Å; R602-A606 WeakPolarHBondContact O-CB 3.27Å; R602-A606 PolarHBondContact O-N 2.99Å
603S94.4Very high78.5Confident86 Ų8676.8 Ų76.860%0.60146%0.456SS*.Hα-helixtrans-61.3-44.5175.4-176.30000111.6E599 V601 L605 A606 G607E599-S603 VanDerWaalsContact O-CB 3.23Å; E599-S603 WeakPolarHBondContact O-CB 3.35Å; E599-S603 PolarHBondContact O-N 2.69Å; V601-S603 VanDerWaalsContact C-N 3.31Å; V601-S603 PolarHBondContact O-N 3.32Å; S603-L605 PolarHBondContact O-N 3.05Å; S603-A606 PolarHBondContact O-N 3.07Å; S603-G607 PolarHBondContact O-N 3.49Å
604A93.8Very high75.5Confident9 Ų976.4 Ų76.47%0.07445%0.452CS..Hα-helixtrans-62.4-39177.300000113.2L576 L579 F580 A600 V601 A606L576-A604 HydrophobicContact CD2-CB 3.56Å; L579-A604 HydrophobicContact CB-CB 4.46Å; L579-A604 HydrophobicContact CD1-CB 3.78Å; F580-A604 HydrophobicContact CE1-CB 4.01Å; F580-A604 HydrophobicContact CE2-CB 3.72Å; F580-A604 HydrophobicContact CZ-CB 3.36Å; A600-A604 PolarHBondContact O-N 3.15Å; A600-A604 VanDerWaalsContact O-N 3.16Å; V601-A604 WeakPolarHBondContact O-CB 3.31Å; V601-A604 PolarHBondContact O-N 3.48Å; A604-A606 VanDerWaalsContact C-N 3.34Å
605L91.6Very high72.4Confident55 Ų5581.3 Ų81.329%0.28848%0.475SS..Hα-helixtrans-71.6-26.2177-69.7170.9000113.1L501 F526 L579 V601 R602 S603L501-L605 HydrophobicContact CD2-CD1 4.29Å; F526-L605 WeakPolarHBondContact O-CD2 3.35Å; L579-L605 HydrophobicContact CD1-CD2 3.87Å; L579-L605 HydrophobicContact CD1-CG 4.09Å; L579-L605 HydrophobicContact CD2-CD2 3.78Å; V601-L605 HydrophobicContact CG1-CD1 3.95Å; V601-L605 HydrophobicContact CG1-CG 4.29Å; V601-L605 WeakPolarHBondContact O-CG 3.37Å; V601-L605 PolarHBondContact O-N 3.42Å; R602-L605 PolarHBondContact O-N 3.38Å; S603-L605 PolarHBondContact O-N 3.05Å
606A86.2Confident69.5Low88 Ų8881.7 Ų81.773%0.72748%0.477SS*.Hα-helixtrans-87.8-11.217900000114R602 S603 A604R602-A606 WeakPolarHBondContact O-CB 3.27Å; R602-A606 PolarHBondContact O-N 2.99Å; S603-A606 PolarHBondContact O-N 3.07Å; A604-A606 VanDerWaalsContact C-N 3.34Å
607G67.9Low66.5Low29 Ų2987.6 Ų87.630%0.29951%0.506SS..SBendtrans-65.5153.1-173.600000114.9S603 G609S603-G607 PolarHBondContact O-N 3.49Å; G607-G609 PolarHBondContact O-N 3.18Å
608P45.3Very low63.4Low147 Ų14795.3 Ų95.396%0.95554%0.542SS*.THydrogen-bonded Turntrans-67.9103179.426.5-31.6000110.6
609G49.7Very low60.3Low79 Ų79101.7 Ų101.781%0.81457%0.574SS**THydrogen-bonded Turntrans162.9-16.6179.400000115.7G607G607-G609 PolarHBondContact O-N 3.18Å
610Q47.8Very low57.2Low90 Ų90106.5 Ų106.542%0.42160%0.601SS.*  trans-106.7107.8173.7-72.2-173.2-19.300110.4R612Q610-R612 PolarHBondContact O-N 2.85Å
611K38.2Very low53.9Low203 Ų203113.7 Ų113.788%0.88363%0.633SS**  trans-57.6124.1164.9-78.7-178.6175.4-178.60107.5T613K611-T613 PolarHBondContact O-N 3.26Å
612R41.1Very low51.3Low245 Ų245119.5 Ų119.593%0.92567%0.672SS**  trans-52.1107.1163.4-73.5178.9176.6177.3-2.5107.6Q610 A614Q610-R612 PolarHBondContact O-N 2.85Å; R612-A614 PolarHBondContact O-N 2.78Å
613T32.8Very low48.4Very low137 Ų137123.5 Ų123.584%0.8470%0.7SS**PPolyproline II helixtrans-67.3117.6156.739.70000105.7K611K611-T613 PolarHBondContact O-N 3.26Å
614A31.4Very low45.7Very low81 Ų81122.8 Ų122.867%0.66971%0.706SS**PPolyproline II helixtrans-50.1146.9-176.400000112.5R612R612-A614 PolarHBondContact O-N 2.78Å
615D31.7Very low42.9Very low131 Ų131135.2 Ų135.270%0.70176%0.762SS**PPolyproline II helixtrans-47.6131.8161.9-95.2-46.5000109.9L617D615-L617 PolarHBondContact O-N 3.07Å
616P33.2Very low40.4Very low130 Ų130139.3 Ų139.384%0.84479%0.786SS**THydrogen-bonded Turntrans-71.917.2170.1-12.528.1000113.5
617L33.9Very low38Very low145 Ų145141.9 Ų141.976%0.75979%0.789SS**THydrogen-bonded Turntrans-119.920.8-169.4-84.2165.1000114.1D615 I619D615-L617 PolarHBondContact O-N 3.07Å; L617-I619 PolarHBondContact O-N 3.34Å; L617-I619 VanDerWaalsContact O-N 3.17Å
618E30.3Very low36.4Very low171 Ų171148.2 Ų148.280%0.79982%0.816SS**  trans-80.292.2161.4-82.5-175.8164.400110.4
619I31.2Very low35.9Very low136 Ų136148.3 Ų148.370%0.69781%0.808SS**  trans41.494.6131.4-50.4170000115.4L617 E621L617-I619 PolarHBondContact O-N 3.34Å; L617-I619 VanDerWaalsContact O-N 3.17Å; I619-E621 HydrophobicContact CG2-CB 4.5Å; I619-E621 HydrophobicContact CG2-CG 3.74Å; I619-E621 PolarHBondContact O-N 2.95Å
620L31.8Very low35Very low177 Ų177152.6 Ų152.693%0.92781%0.808SS**  trans-74.197.1146.7-83.8155.5000107.5
621E29.3Very low34.1Very low160 Ų160156.8 Ų156.875%0.74883%0.834SS**PPolyproline II helixtrans-71.1133155.5-83.5-173.5172.600108.1I619 D623I619-E621 HydrophobicContact CG2-CB 4.5Å; I619-E621 HydrophobicContact CG2-CG 3.74Å; I619-E621 PolarHBondContact O-N 2.95Å; E621-D623 PolarHBondContact O-N 3.16Å
622P39.9Very low33.8Very low123 Ų123153.5 Ų153.580%0.79983%0.83SS**PPolyproline II helixtrans-76.2117.2170.229.1-27.8000108.6G624P622-G624 PolarHBondContact O-N 3.44Å
623D35.6Very low33.3Very low172 Ų172146.5 Ų146.592%0.9282%0.823SS**PPolyproline II helixtrans-50.3120.7168.5-85.5-38.8000110E621E621-D623 PolarHBondContact O-N 3.16Å
624G37.5Very low33.3Very low71 Ų71147.3 Ų147.373%0.73282%0.821SS**  trans-85.1108.1164.900000110.1P622P622-G624 PolarHBondContact O-N 3.44Å
625Q34.5Very low33.5Very low270 Ų270153.3 Ų153.3100%1.26284%0.835SS**  trans-169.10133.5-106.9175.82400111

Retrieved 625 of 625 residues in 1763.6 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).