A0A087XQT6_POEFO Loading...

ETS transcription factor ELK3

AlphaFold DB , UniProt , Accession A0A087XQT6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 376 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
1M38.6Very low83.3Confident243 Ų24362.2 Ų62.2100%1.19734%0.339SS*.  0132.20-77.5167.816500107.9S3M1-S3 PolarHBondContact O-N 3.28Å
2E53.8Low84.2Confident160 Ų16058 Ų5875%0.74832%0.316SS*.  trans-75.6116.1175.2-13659.2-123.900109R48E2-R48 IonicContact OE1-NH1 3.64Å
3S72.1Confident85Confident73 Ų7361.8 Ų61.851%0.5133%0.33SS..  trans-67.9135.5175.143.10000110.6M1 I5 R48M1-S3 PolarHBondContact O-N 3.28Å; S3-I5 PolarHBondContact O-N 3.06Å; S3-R48 PolarHBondContact OG-NH2 2.82Å
4S85.6Confident85.7Confident115 Ų11558.3 Ų58.380%0.80431%0.312SS*.  trans-7445.1-172.244.10000114
5I92.5Very high86.3Confident15 Ų1554.9 Ų54.98%0.07729%0.294CS..  trans-60.4135.1-173.4-166.6169.1000113.3S3 Q9 F10 W45 R48 K49S3-I5 PolarHBondContact O-N 3.06Å; I5-Q9 HydrophobicContact CD1-CB 4.38Å; I5-Q9 HydrophobicContact CG1-CB 3.8Å; I5-F10 HydrophobicContact CD1-CB 3.97Å; I5-F10 HydrophobicContact CG1-CB 4.26Å; I5-W45 HydrophobicContact CG2-CZ3 4.29Å; I5-R48 HydrophobicContact CG2-CG 3.99Å; I5-K49 HydrophobicContact CG2-CD 4.14Å; I5-K49 PolarHBondContact O-NZ 3.13Å
6T94.8Very high86.7Confident24 Ų2457.9 Ų57.915%0.14731%0.309CS..  trans-86.6167.6173.473.90000111.4W8 Q9 F10 W45 E99T6-W8 PolarHBondContact OG1-NE1 2.7Å; T6-Q9 VanDerWaalsContact OG1-CG 3.3Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.49Å; T6-Q9 PolarHBondContact OG1-N 3.24Å; T6-Q9 PolarHBondContact OG1-OE1 3.42Å; T6-F10 WeakPolarHBondContact O-CB 3.44Å; T6-F10 PolarHBondContact O-N 2.95Å; T6-F10 VanDerWaalsContact O-N 3.11Å; T6-W45 VanDerWaalsContact C-CH2 3.46Å; T6-E99 HydrophobicContact CG2-CG 4.2Å
7L96.1Very high87Confident4 Ų458.5 Ų58.52%0.02131%0.312CS..Hα-helixtrans-66.9-39.8177.8174.263.7000111.6Q9 F10 L11 W45 L59 A62 L63 Y66L7-Q9 PolarHBondContact O-N 3.35Å; L7-F10 HydrophobicContact CD1-CD1 4.24Å; L7-F10 PolarHBondContact O-N 3.21Å; L7-L11 HydrophobicContact CD1-CD1 3.92Å; L7-L11 HydrophobicContact CD1-CD2 4.37Å; L7-L11 HydrophobicContact CD1-CG 3.9Å; L7-L11 HydrophobicContact CG-CD1 3.9Å; L7-L11 HydrophobicContact CG-CG 4.31Å; L7-L11 VanDerWaalsContact O-CG 3.32Å; L7-L11 WeakPolarHBondContact O-CG 3.19Å; L7-L11 PolarHBondContact O-N 3.1Å; L7-W45 HydrophobicContact CB-CH2 4.13Å; L7-W45 HydrophobicContact CB-CZ2 3.82Å; L7-W45 HydrophobicContact CD1-CD2 3.79Å; L7-W45 HydrophobicContact CD1-CE3 4.28Å; L7-W45 HydrophobicContact CD1-CG 3.93Å; L7-W45 HydrophobicContact CD1-CZ2 4.42Å; L7-L59 HydrophobicContact CD1-CD1 3.91Å; L7-L59 HydrophobicContact CD1-CD2 4.38Å; L7-L59 HydrophobicContact CD1-CG 3.86Å; L7-L59 HydrophobicContact CD2-CD2 4.19Å; L7-L59 HydrophobicContact CD2-CG 3.94Å; L7-A62 HydrophobicContact CD2-CB 3.56Å; L7-L63 HydrophobicContact CD2-CD2 4.24Å; L7-L63 HydrophobicContact CD2-CG 4.24Å; L7-Y66 HydrophobicContact CB-CE2 4.01Å; L7-Y66 HydrophobicContact CD2-CE2 4.26Å; L7-Y66 HydrophobicContact CG-CE2 4.28Å; L7-Y66 PolarHBondContact N-OH 2.74Å
8W95.3Very high87Confident6 Ų662.4 Ų62.42%0.02333%0.328CS..Hα-helixtrans-64.9-41-178.971.3-106.5000111.7T6 L11 L12 Y66 I71 I72 F84 I90 V98T6-W8 PolarHBondContact OG1-NE1 2.7Å; W8-L11 PolarHBondContact O-N 3.39Å; W8-L12 HydrophobicContact CE3-CD2 4.43Å; W8-L12 HydrophobicContact CZ3-CD2 4.18Å; W8-L12 WeakPolarHBondContact O-CB 3.33Å; W8-L12 PolarHBondContact O-N 3.48Å; W8-Y66 HydrophobicContact CB-CD2 4.4Å; W8-Y66 HydrophobicContact CB-CE2 3.86Å; W8-Y66 AromaticContact CD1-CZ 3.82Å; W8-I71 HydrophobicContact CB-CG2 3.99Å; W8-I71 HydrophobicContact CD2-CG2 4.22Å; W8-I71 HydrophobicContact CG-CG2 3.84Å; W8-I72 HydrophobicContact CB-CD1 4.02Å; W8-F84 HydrophobicContact CB-CE1 4.29Å; W8-I90 HydrophobicContact CD2-CD1 4.37Å; W8-I90 HydrophobicContact CE3-CD1 3.79Å; W8-I90 HydrophobicContact CE3-CG1 4.09Å; W8-I90 HydrophobicContact CH2-CD1 4.48Å; W8-I90 HydrophobicContact CH2-CG1 4.13Å; W8-I90 HydrophobicContact CZ3-CD1 3.86Å; W8-I90 HydrophobicContact CZ3-CG1 3.63Å; W8-V98 HydrophobicContact CD2-CG1 4.36Å; W8-V98 HydrophobicContact CH2-CB 4.23Å; W8-V98 HydrophobicContact CH2-CG1 4.18Å; W8-V98 HydrophobicContact CH2-CG2 4.15Å; W8-V98 HydrophobicContact CZ2-CB 3.62Å; W8-V98 HydrophobicContact CZ2-CG1 3.57Å; W8-V98 HydrophobicContact CZ2-CG2 4.05Å
9Q94.8Very high87.3Confident35 Ų3562.8 Ų62.816%0.16434%0.336CS..Hα-helixtrans-62.8-44.2174.2-71157.45.500111.9I5 T6 L7 L12 Q13 P95I5-Q9 HydrophobicContact CD1-CB 4.38Å; I5-Q9 HydrophobicContact CG1-CB 3.8Å; T6-Q9 VanDerWaalsContact OG1-CG 3.3Å; T6-Q9 WeakPolarHBondContact OG1-CG 3.49Å; T6-Q9 PolarHBondContact OG1-N 3.24Å; T6-Q9 PolarHBondContact OG1-OE1 3.42Å; L7-Q9 PolarHBondContact O-N 3.35Å; Q9-L12 PolarHBondContact O-N 3.18Å; Q9-Q13 WeakPolarHBondContact O-CB 3.05Å; Q9-Q13 PolarHBondContact O-N 2.69Å; Q9-P95 VanDerWaalsContact NE2-CB 3.31Å
10F95.8Very high87.4Confident9 Ų961.9 Ų61.94%0.03933%0.33CS..Hα-helixtrans-63.1-43.4178.6168.8-99.5000112.5I5 T6 L7 L12 Q13 L14 L44 W45 R48I5-F10 HydrophobicContact CD1-CB 3.97Å; I5-F10 HydrophobicContact CG1-CB 4.26Å; T6-F10 WeakPolarHBondContact O-CB 3.44Å; T6-F10 PolarHBondContact O-N 2.95Å; T6-F10 VanDerWaalsContact O-N 3.11Å; L7-F10 HydrophobicContact CD1-CD1 4.24Å; L7-F10 PolarHBondContact O-N 3.21Å; F10-L12 VanDerWaalsContact C-N 3.34Å; F10-Q13 PolarHBondContact O-N 2.83Å; F10-L14 HydrophobicContact CD1-CD1 4.35Å; F10-L14 HydrophobicContact CE1-CD1 3.56Å; F10-L14 HydrophobicContact CE1-CG 4.27Å; F10-L14 HydrophobicContact CE2-CD1 4.19Å; F10-L14 HydrophobicContact CE2-CD2 4.42Å; F10-L14 HydrophobicContact CE2-CG 4.19Å; F10-L14 HydrophobicContact CZ-CD1 3.48Å; F10-L14 VanDerWaalsContact CZ-CD1 3.48Å; F10-L14 HydrophobicContact CZ-CD2 4.39Å; F10-L14 HydrophobicContact CZ-CG 3.98Å; F10-L14 PolarHBondContact O-N 3.13Å; F10-L44 VanDerWaalsContact CZ-C 3.49Å; F10-L44 HydrophobicContact CZ-CB 3.76Å; F10-W45 HydrophobicContact CB-CE3 3.73Å; F10-W45 HydrophobicContact CB-CZ3 3.63Å; F10-W45 HydrophobicContact CD1-CB 4.06Å; F10-W45 HydrophobicContact CD1-CD2 4.17Å; F10-W45 AromaticContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CG 4.41Å; F10-W45 HydrophobicContact CD1-CZ3 4.33Å; F10-W45 HydrophobicContact CD2-CE3 4.09Å; F10-W45 HydrophobicContact CE1-CB 3.59Å; F10-W45 HydrophobicContact CE1-CE3 4.16Å; F10-W45 HydrophobicContact CE1-CG 4.4Å; F10-W45 AromaticContact CG-CE3 3.49Å; F10-W45 HydrophobicContact CG-CE3 3.49Å; F10-W45 VanDerWaalsContact CG-CE3 3.49Å; F10-W45 AromaticContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CZ-CB 4.12Å; F10-W45 VanDerWaalsContact CZ-N 3.33Å; F10-R48 HydrophobicContact CD2-CB 4.14Å; F10-R48 HydrophobicContact CD2-CG 3.86Å; F10-R48 HydrophobicContact CE2-CB 3.94Å; F10-R48 HydrophobicContact CE2-CG 4.1Å
11L96.6Very high87.7Confident0 Ų064 Ų640%034%0.336CS..Hα-helixtrans-65.3-39.6175.8-67.2171.5000111.5L7 W8 L14 L15 I24 V41 L63L7-L11 HydrophobicContact CD1-CD1 3.92Å; L7-L11 HydrophobicContact CD1-CD2 4.37Å; L7-L11 HydrophobicContact CD1-CG 3.9Å; L7-L11 HydrophobicContact CG-CD1 3.9Å; L7-L11 HydrophobicContact CG-CG 4.31Å; L7-L11 VanDerWaalsContact O-CG 3.32Å; L7-L11 WeakPolarHBondContact O-CG 3.19Å; L7-L11 PolarHBondContact O-N 3.1Å; W8-L11 PolarHBondContact O-N 3.39Å; L11-L14 PolarHBondContact O-N 3.22Å; L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CD1 3.16Å; L11-L15 WeakPolarHBondContact O-CG 3.19Å; L11-L15 PolarHBondContact O-N 2.94Å; L11-I24 HydrophobicContact CB-CD1 4.44Å; L11-I24 HydrophobicContact CD2-CD1 3.79Å; L11-V41 HydrophobicContact CD2-CG1 3.54Å; L11-L63 HydrophobicContact CD1-CD2 3.69Å
12L94.5Very high90.3Very high12 Ų1257.4 Ų57.46%0.06330%0.302CS..Hα-helixtrans-64.3-40.5175.3-168.958.3000111.6W8 Q9 F10 L15 L16 W26 F84 F87 I90 L91W8-L12 HydrophobicContact CE3-CD2 4.43Å; W8-L12 HydrophobicContact CZ3-CD2 4.18Å; W8-L12 WeakPolarHBondContact O-CB 3.33Å; W8-L12 PolarHBondContact O-N 3.48Å; Q9-L12 PolarHBondContact O-N 3.18Å; F10-L12 VanDerWaalsContact C-N 3.34Å; L12-L15 PolarHBondContact O-N 3.4Å; L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.12Å; L12-W26 HydrophobicContact CD1-CH2 3.77Å; L12-W26 HydrophobicContact CD1-CZ2 3.86Å; L12-F84 HydrophobicContact CB-CZ 4.05Å; L12-F84 HydrophobicContact CD1-CE2 4.13Å; L12-F84 HydrophobicContact CD1-CZ 4.19Å; L12-F87 HydrophobicContact CD1-CE2 4.38Å; L12-I90 HydrophobicContact CD2-CG2 4.44Å; L12-L91 HydrophobicContact CD1-CD2 4.06Å; L12-L91 HydrophobicContact CD2-CD2 3.89Å; L12-L91 HydrophobicContact CG-CD2 4.05Å
13Q94.1Very high92.3Very high107 Ų10750.3 Ų50.350%0.527%0.269SS..Hα-helixtrans-62-46.3174.3-173.1-179.52.700111.9Q9 F10 L15 L16 D17Q9-Q13 WeakPolarHBondContact O-CB 3.05Å; Q9-Q13 PolarHBondContact O-N 2.69Å; F10-Q13 PolarHBondContact O-N 2.83Å; Q13-L15 PolarHBondContact O-N 3.26Å; Q13-L16 PolarHBondContact O-N 3.41Å; Q13-D17 PolarHBondContact O-N 3.43Å; Q13-D17 VanDerWaalsContact O-N 3.16Å
14L95.4Very high93.5Very high13 Ų1346.9 Ų46.97%0.06825%0.245CC..Hα-helixtrans-64.2-26.6174.8-70-176.4000113.3F10 L11 H20 I24 V41 L44F10-L14 HydrophobicContact CD1-CD1 4.35Å; F10-L14 HydrophobicContact CE1-CD1 3.56Å; F10-L14 HydrophobicContact CE1-CG 4.27Å; F10-L14 HydrophobicContact CE2-CD1 4.19Å; F10-L14 HydrophobicContact CE2-CD2 4.42Å; F10-L14 HydrophobicContact CE2-CG 4.19Å; F10-L14 HydrophobicContact CZ-CD1 3.48Å; F10-L14 VanDerWaalsContact CZ-CD1 3.48Å; F10-L14 HydrophobicContact CZ-CD2 4.39Å; F10-L14 HydrophobicContact CZ-CG 3.98Å; F10-L14 PolarHBondContact O-N 3.13Å; L11-L14 PolarHBondContact O-N 3.22Å; L14-H20 HydrophobicContact CD2-CB 4.21Å; L14-I24 HydrophobicContact CB-CG2 3.72Å; L14-I24 HydrophobicContact CD1-CG2 4.47Å; L14-V41 HydrophobicContact CD1-CG1 4.16Å; L14-L44 HydrophobicContact CD1-CD1 4.45Å; L14-L44 HydrophobicContact CD2-CD1 4.36Å
15L94.8Very high94Very high8 Ų843 Ų434%0.04222%0.217CC..Hα-helixtrans-82.9-19.2178.7-85.2165.8000114.1L11 L12 Q13 I24 W26 F33 F84L11-L15 WeakPolarHBondContact O-CB 3.42Å; L11-L15 WeakPolarHBondContact O-CD1 3.16Å; L11-L15 WeakPolarHBondContact O-CG 3.19Å; L11-L15 PolarHBondContact O-N 2.94Å; L12-L15 PolarHBondContact O-N 3.4Å; Q13-L15 PolarHBondContact O-N 3.26Å; L15-I24 HydrophobicContact CD1-CD1 4.08Å; L15-I24 HydrophobicContact CD1-CG1 4.42Å; L15-I24 HydrophobicContact CD2-CD1 4.43Å; L15-I24 HydrophobicContact CD2-CG1 3.92Å; L15-I24 HydrophobicContact CD2-CG2 4.35Å; L15-I24 HydrophobicContact CG-CD1 3.99Å; L15-I24 HydrophobicContact CG-CG1 4.02Å; L15-I24 HydrophobicContact CG-CG2 4.25Å; L15-W26 HydrophobicContact CB-CH2 4.34Å; L15-W26 HydrophobicContact CB-CZ2 3.6Å; L15-W26 HydrophobicContact CD1-CE3 4.41Å; L15-W26 HydrophobicContact CD1-CH2 3.84Å; L15-W26 HydrophobicContact CD1-CZ2 3.96Å; L15-W26 HydrophobicContact CD1-CZ3 4.06Å; L15-W26 HydrophobicContact CD2-CD2 4Å; L15-W26 HydrophobicContact CD2-CE3 4.48Å; L15-W26 HydrophobicContact CD2-CG 4.17Å; L15-W26 HydrophobicContact CD2-CZ2 4.49Å; L15-W26 HydrophobicContact CG-CZ2 4.23Å; L15-W26 PolarHBondContact O-NE1 2.85Å; L15-F33 HydrophobicContact CD1-CB 3.65Å; L15-F33 HydrophobicContact CD1-CD1 4.08Å; L15-F33 HydrophobicContact CD1-CD2 3.85Å; L15-F33 HydrophobicContact CD1-CE2 4.47Å; L15-F33 HydrophobicContact CD1-CG 3.61Å; L15-F33 HydrophobicContact CD2-CB 3.92Å; L15-F33 HydrophobicContact CG-CB 4.45Å; L15-F84 HydrophobicContact CD1-CE2 4.07Å
16L92.1Very high94.2Very high103 Ų10345.8 Ų45.854%0.53923%0.227SC..Hα-helixtrans-87.1-28.8171.3-67.4168.7000111.6L12 Q13 Q18 L91L12-L16 WeakPolarHBondContact O-CG 3.34Å; L12-L16 PolarHBondContact O-N 3.12Å; Q13-L16 PolarHBondContact O-N 3.41Å; L16-Q18 PolarHBondContact O-N 3.28Å; L16-L91 HydrophobicContact CD1-CD2 4.01Å; L16-L91 HydrophobicContact CD2-CD2 4.44Å
17D92.3Very high94.2Very high68 Ų6848 Ų4836%0.36424%0.241SC..  trans-77.3110.7177.2-177.4-8.4000112.2Q13 S19 H20Q13-D17 PolarHBondContact O-N 3.43Å; Q13-D17 VanDerWaalsContact O-N 3.16Å; D17-S19 PolarHBondContact O-N 2.81Å; D17-S19 VanDerWaalsContact O-N 3.11Å; D17-S19 WeakPolarHBondContact OD1-CB 3.38Å; D17-S19 PolarHBondContact OD1-N 3.16Å; D17-S19 PolarHBondContact OD1-OG 2.93Å; D17-S19 PolarHBondContact OD2-OG 2.81Å; D17-S19 VanDerWaalsContact OD2-OG 3.05Å; D17-H20 PolarHBondContact O-N 3.41Å; D17-H20 VanDerWaalsContact O-N 3.11Å; D17-H20 IonicContact OD2-CE1 2.77Å; D17-H20 PolarHBondContact OD2-CE1 3.08Å; D17-H20 VanDerWaalsContact OD2-CE1 3.23Å; D17-H20 IonicContact OD2-ND1 2.75Å; D17-H20 PolarHBondContact OD2-ND1 2.88Å
18Q87.6Confident94.1Very high129 Ų12949.3 Ų49.360%0.60325%0.25SS*.THydrogen-bonded Turntrans-64.8-15.7-176.9-55.2-71.750.500114.1L16 K21L16-Q18 PolarHBondContact O-N 3.28Å; Q18-K21 WeakPolarHBondContact O-CD 3.4Å; Q18-K21 WeakPolarHBondContact O-CG 3.41Å
19S91.3Very high93.8Very high69 Ų6955.3 Ų55.348%0.48328%0.283SS..THydrogen-bonded Turntrans-73.5-32.7174.770.70000112.6D17 K21 H22D17-S19 PolarHBondContact O-N 2.81Å; D17-S19 VanDerWaalsContact O-N 3.11Å; D17-S19 WeakPolarHBondContact OD1-CB 3.38Å; D17-S19 PolarHBondContact OD1-N 3.16Å; D17-S19 PolarHBondContact OD1-OG 2.93Å; D17-S19 PolarHBondContact OD2-OG 2.81Å; D17-S19 VanDerWaalsContact OD2-OG 3.05Å; S19-K21 VanDerWaalsContact C-N 3.34Å; S19-K21 PolarHBondContact O-N 3.12Å; S19-H22 PolarHBondContact O-CE1 2.72Å; S19-H22 PolarHBondContact O-ND1 2.69Å
20H90.8Very high93.6Very high44 Ų4457.3 Ų57.320%0.20430%0.295CS..G310 helixtrans-86.92.2-173.7-70.4106.5000114.4L14 D17 H22 L23 I24L14-H20 HydrophobicContact CD2-CB 4.21Å; D17-H20 PolarHBondContact O-N 3.41Å; D17-H20 VanDerWaalsContact O-N 3.11Å; D17-H20 IonicContact OD2-CE1 2.77Å; D17-H20 PolarHBondContact OD2-CE1 3.08Å; D17-H20 VanDerWaalsContact OD2-CE1 3.23Å; D17-H20 IonicContact OD2-ND1 2.75Å; D17-H20 PolarHBondContact OD2-ND1 2.88Å; H20-H22 PolarHBondContact O-N 2.77Å; H20-L23 WeakPolarHBondContact O-CB 3.49Å; H20-L23 PolarHBondContact O-N 3.24Å; H20-I24 PolarHBondContact O-N 3.15Å; H20-I24 VanDerWaalsContact O-N 3.17Å
21K92.2Very high93.5Very high108 Ų10856.9 Ų56.947%0.4729%0.293SS..G310 helixtrans-45.8-31.5175.4-75.8-179-175.6-179.90115.4Q18 S19 L23 I24 L36Q18-K21 WeakPolarHBondContact O-CD 3.4Å; Q18-K21 WeakPolarHBondContact O-CG 3.41Å; S19-K21 VanDerWaalsContact C-N 3.34Å; S19-K21 PolarHBondContact O-N 3.12Å; K21-L23 VanDerWaalsContact C-N 3.25Å; K21-L23 PolarHBondContact O-N 2.94Å; K21-I24 CarbonylContact C-O 3.54Å; K21-I24 VanDerWaalsContact CA-O 3.3Å; K21-I24 WeakPolarHBondContact CA-O 3.47Å; K21-L36 WeakPolarHBondContact O-CD1 3.11Å
22H94.4Very high93.6Very high104 Ų10458.5 Ų58.548%0.48130%0.3SS..G310 helixtrans-81.2-3.6-177.671.8-85000113.6S19 H20 K37S19-H22 PolarHBondContact O-CE1 2.72Å; S19-H22 PolarHBondContact O-ND1 2.69Å; H20-H22 PolarHBondContact O-N 2.77Å; H22-K37 WeakPolarHBondContact O-CE 3.37Å
23L96.1Very high93.7Very high10 Ų1057.9 Ų57.95%0.05230%0.297CS..THydrogen-bonded Turntrans-112.7-42.8175.4-51-174.5000111.4H20 K21 L35 L36 K37 E40 V41 L44H20-L23 WeakPolarHBondContact O-CB 3.49Å; H20-L23 PolarHBondContact O-N 3.24Å; K21-L23 VanDerWaalsContact C-N 3.25Å; K21-L23 PolarHBondContact O-N 2.94Å; L23-L35 CarbonylContact O-C 3.59Å; L23-L36 PolarHBondContact O-N 3.36Å; L23-K37 HydrophobicContact CD2-CB 4.1Å; L23-K37 HydrophobicContact CD2-CD 3.79Å; L23-K37 HydrophobicContact CD2-CG 4.29Å; L23-K37 PolarHBondContact O-N 3.14Å; L23-E40 HydrophobicContact CD1-CB 4.39Å; L23-E40 HydrophobicContact CD2-CB 3.85Å; L23-E40 HydrophobicContact CD2-CG 4.35Å; L23-V41 HydrophobicContact CB-CG2 3.88Å; L23-L44 HydrophobicContact CD1-CD1 3.43Å; L23-L44 VanDerWaalsContact CD1-CD1 3.43Å
24I97.4Very high93.9Very high1 Ų156.2 Ų56.21%0.00529%0.288CS..EExtended strand (participates in β ladder)trans-146.9139.3-177.9-164.2173.8000109.6L11 L14 L15 H20 K21 F33 K34 L35 V41L11-I24 HydrophobicContact CB-CD1 4.44Å; L11-I24 HydrophobicContact CD2-CD1 3.79Å; L14-I24 HydrophobicContact CB-CG2 3.72Å; L14-I24 HydrophobicContact CD1-CG2 4.47Å; L15-I24 HydrophobicContact CD1-CD1 4.08Å; L15-I24 HydrophobicContact CD1-CG1 4.42Å; L15-I24 HydrophobicContact CD2-CD1 4.43Å; L15-I24 HydrophobicContact CD2-CG1 3.92Å; L15-I24 HydrophobicContact CD2-CG2 4.35Å; L15-I24 HydrophobicContact CG-CD1 3.99Å; L15-I24 HydrophobicContact CG-CG1 4.02Å; L15-I24 HydrophobicContact CG-CG2 4.25Å; H20-I24 PolarHBondContact O-N 3.15Å; H20-I24 VanDerWaalsContact O-N 3.17Å; K21-I24 CarbonylContact C-O 3.54Å; K21-I24 VanDerWaalsContact CA-O 3.3Å; K21-I24 WeakPolarHBondContact CA-O 3.47Å; I24-F33 HydrophobicContact CD1-CD2 3.86Å; I24-F33 HydrophobicContact CD1-CE2 4.05Å; I24-F33 HydrophobicContact CG1-CD2 4.11Å; I24-K34 WeakPolarHBondContact CA-O 3.34Å; I24-L35 HydrophobicContact CD1-CD1 4.49Å; I24-L35 HydrophobicContact CD1-CG 4.1Å; I24-L35 HydrophobicContact CG1-CG 4.24Å; I24-V41 HydrophobicContact CB-CG2 4.12Å
25C96.2Very high94Very high33 Ų3355.6 Ų55.622%0.22329%0.285CS..EExtended strand (participates in β ladder)trans-148.8153.8-178.962.30000113F33 K34C25-F33 CarbonylContact O-C 3.57Å; C25-F33 VanDerWaalsContact O-CA 3.24Å; C25-F33 WeakPolarHBondContact O-CA 3.43Å; C25-F33 WeakPolarHBondContact O-CB 3.42Å; C25-K34 PolarHBondContact N-O 3.16Å; C25-K34 PolarHBondContact O-N 3.35Å
26W96.4Very high94.1Very high75 Ų7559.6 Ų59.628%0.28431%0.306SS..EExtended strand (participates in β ladder)trans-66.1141.5165.8-59.6108.5000110.4L12 L15 F33 F84 F87L12-W26 HydrophobicContact CD1-CH2 3.77Å; L12-W26 HydrophobicContact CD1-CZ2 3.86Å; L15-W26 HydrophobicContact CB-CH2 4.34Å; L15-W26 HydrophobicContact CB-CZ2 3.6Å; L15-W26 HydrophobicContact CD1-CE3 4.41Å; L15-W26 HydrophobicContact CD1-CH2 3.84Å; L15-W26 HydrophobicContact CD1-CZ2 3.96Å; L15-W26 HydrophobicContact CD1-CZ3 4.06Å; L15-W26 HydrophobicContact CD2-CD2 4Å; L15-W26 HydrophobicContact CD2-CE3 4.48Å; L15-W26 HydrophobicContact CD2-CG 4.17Å; L15-W26 HydrophobicContact CD2-CZ2 4.49Å; L15-W26 HydrophobicContact CG-CZ2 4.23Å; L15-W26 PolarHBondContact O-NE1 2.85Å; W26-F33 HydrophobicContact CE3-CB 3.88Å; W26-F33 HydrophobicContact CZ3-CB 4.11Å; W26-F33 HydrophobicContact CZ3-CD1 4.31Å; W26-F84 AromaticContact CH2-CD2 3.85Å; W26-F84 HydrophobicContact CH2-CD2 3.85Å; W26-F84 AromaticContact CH2-CE2 3.91Å; W26-F84 HydrophobicContact CH2-CE2 3.91Å; W26-F84 AromaticContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CE2 4.21Å; W26-F87 HydrophobicContact CH2-CD2 4.08Å; W26-F87 AromaticContact CH2-CE2 3.56Å; W26-F87 HydrophobicContact CH2-CE2 3.56Å; W26-F87 HydrophobicContact CH2-CZ 4.09Å; W26-F87 AromaticContact CZ2-CE2 3.9Å; W26-F87 HydrophobicContact CZ2-CE2 3.9Å; W26-F87 HydrophobicContact CZ2-CZ 4.16Å; W26-F87 HydrophobicContact CZ3-CE2 4.23Å
27T94.8Very high94.4Very high70 Ų7059.8 Ų59.843%0.42930%0.302SS..SBendtrans-116-28.7177.4-570000111.4E32T27-E32 PolarHBondContact N-O 3.26Å
28S93Very high94.6Very high31 Ų3157.3 Ų57.322%0.21729%0.291CS..SBendtrans-132.1156.3164.3-179.80000110.2D30 E32S28-D30 PolarHBondContact O-N 3.09Å; S28-D30 PolarHBondContact OG-N 3.15Å; S28-D30 PolarHBondContact OG-OD2 2.84Å; S28-E32 PolarHBondContact N-O 3.02Å
29N89.6Confident95.1Very high133 Ų13354.7 Ų54.771%0.71128%0.278SS*.THydrogen-bonded Turntrans-61.4-18.516756.4-90.3000113.1G31 F87N29-G31 PolarHBondContact O-N 3.21Å; N29-G31 VanDerWaalsContact O-N 3.08Å; N29-F87 WeakPolarHBondContact O-CD1 3.23Å; N29-F87 WeakPolarHBondContact O-CE1 3.31Å
30D91.2Very high95.4Very high77 Ų7754.8 Ų54.841%0.41227%0.271SS..THydrogen-bonded Turntrans-76.915-178.1-38.4-51.1000113.8S28 K83S28-D30 PolarHBondContact O-N 3.09Å; S28-D30 PolarHBondContact OG-N 3.15Å; S28-D30 PolarHBondContact OG-OD2 2.84Å; D30-K83 WeakPolarHBondContact O-CE 3.37Å; D30-K83 IonicContact OD2-NZ 3.79Å
31G93.5Very high95.7Very high0 Ų052.7 Ų52.70%026%0.261CS..SBendtrans8016-173.700000115N29 K83 F84N29-G31 PolarHBondContact O-N 3.21Å; N29-G31 VanDerWaalsContact O-N 3.08Å; G31-K83 WeakPolarHBondContact O-CA 3.45Å; G31-F84 PolarHBondContact O-N 2.99Å
32E97.4Very high96Very high33 Ų3347.6 Ų47.615%0.15424%0.239CC..EExtended strand (participates in β ladder)trans-79.6129.5168.7-174.8172.5125.300110.4T27 S28 V75 Q78 V81 Y82 K83T27-E32 PolarHBondContact N-O 3.26Å; S28-E32 PolarHBondContact N-O 3.02Å; E32-V75 HydrophobicContact CG-CG2 4.1Å; E32-V75 WeakPolarHBondContact OE2-CG2 3.37Å; E32-Q78 PolarHBondContact OE1-NE2 3.31Å; E32-Q78 VanDerWaalsContact OE1-NE2 3.13Å; E32-V81 HydrophobicContact CG-CG1 3.54Å; E32-V81 WeakPolarHBondContact OE1-CG1 3.34Å; E32-Y82 WeakPolarHBondContact CA-O 3Å; E32-K83 HydrophobicContact CB-CB 4.35Å; E32-K83 HydrophobicContact CB-CD 4.36Å; E32-K83 HydrophobicContact CB-CG 4.37Å
33F97.4Very high96.1Very high0 Ų048.1 Ų48.10%024%0.24CC..EExtended strand (participates in β ladder)trans-136.9157.8-178.170.3-88.8000113L15 I24 C25 W26 L35 I72 V81 Y82 F84L15-F33 HydrophobicContact CD1-CB 3.65Å; L15-F33 HydrophobicContact CD1-CD1 4.08Å; L15-F33 HydrophobicContact CD1-CD2 3.85Å; L15-F33 HydrophobicContact CD1-CE2 4.47Å; L15-F33 HydrophobicContact CD1-CG 3.61Å; L15-F33 HydrophobicContact CD2-CB 3.92Å; L15-F33 HydrophobicContact CG-CB 4.45Å; I24-F33 HydrophobicContact CD1-CD2 3.86Å; I24-F33 HydrophobicContact CD1-CE2 4.05Å; I24-F33 HydrophobicContact CG1-CD2 4.11Å; C25-F33 CarbonylContact O-C 3.57Å; C25-F33 VanDerWaalsContact O-CA 3.24Å; C25-F33 WeakPolarHBondContact O-CA 3.43Å; C25-F33 WeakPolarHBondContact O-CB 3.42Å; W26-F33 HydrophobicContact CE3-CB 3.88Å; W26-F33 HydrophobicContact CZ3-CB 4.11Å; W26-F33 HydrophobicContact CZ3-CD1 4.31Å; F33-L35 HydrophobicContact CD2-CD1 4.17Å; F33-L35 HydrophobicContact CE2-CD1 3.8Å; F33-I72 HydrophobicContact CE1-CD1 4.45Å; F33-I72 HydrophobicContact CE1-CG2 4.23Å; F33-I72 HydrophobicContact CZ-CD1 4.22Å; F33-I72 HydrophobicContact CZ-CG2 4.27Å; F33-V81 CarbonylContact O-C 3.57Å; F33-V81 WeakPolarHBondContact O-CA 3.26Å; F33-V81 WeakPolarHBondContact O-CG1 3.3Å; F33-Y82 WeakPolarHBondContact CD1-O 3.47Å; F33-Y82 HydrophobicContact CZ-CG 4.42Å; F33-Y82 PolarHBondContact N-O 3.3Å; F33-Y82 PolarHBondContact O-N 3.1Å; F33-Y82 VanDerWaalsContact O-O 3.05Å; F33-F84 AromaticContact CD1-CD2 3.65Å; F33-F84 HydrophobicContact CD1-CD2 3.65Å; F33-F84 AromaticContact CD1-CE2 3.66Å; F33-F84 HydrophobicContact CD1-CE2 3.66Å; F33-F84 AromaticContact CE1-CD2 3.54Å; F33-F84 HydrophobicContact CE1-CD2 3.54Å; F33-F84 AromaticContact CE1-CE2 3.4Å; F33-F84 HydrophobicContact CE1-CE2 3.4Å; F33-F84 VanDerWaalsContact CE1-CE2 3.4Å; F33-F84 HydrophobicContact CE1-CG 4.37Å; F33-F84 HydrophobicContact CE1-CZ 4.15Å; F33-F84 HydrophobicContact CZ-CE2 4.16Å
34K97.7Very high96.2Very high71 Ų7150 Ų5031%0.30925%0.25SC..EExtended strand (participates in β ladder)trans-129.7129-176.6-171166.5-164.6161.90111.1I24 C25 L36 V81I24-K34 WeakPolarHBondContact CA-O 3.34Å; C25-K34 PolarHBondContact N-O 3.16Å; C25-K34 PolarHBondContact O-N 3.35Å; K34-L36 HydrophobicContact CD-CD2 4.14Å; K34-L36 HydrophobicContact CG-CD2 4.14Å; K34-L36 PolarHBondContact O-N 3.31Å; K34-V81 HydrophobicContact CB-CG2 3.95Å; K34-V81 HydrophobicContact CD-CG2 3.65Å; K34-V81 HydrophobicContact CG-CG2 3.64Å
35L97.9Very high96.1Very high1 Ų151.1 Ų51.11%0.00525%0.254CS..EExtended strand (participates in β ladder)trans-81107166.3-62.581000107.8L23 I24 F33 V41 Y56 L59 F80 Y82L23-L35 CarbonylContact O-C 3.59Å; I24-L35 HydrophobicContact CD1-CD1 4.49Å; I24-L35 HydrophobicContact CD1-CG 4.1Å; I24-L35 HydrophobicContact CG1-CG 4.24Å; F33-L35 HydrophobicContact CD2-CD1 4.17Å; F33-L35 HydrophobicContact CE2-CD1 3.8Å; L35-V41 HydrophobicContact CD2-CB 4.04Å; L35-V41 HydrophobicContact CD2-CG1 3.86Å; L35-V41 HydrophobicContact CD2-CG2 4.31Å; L35-Y56 HydrophobicContact CD2-CD2 4.43Å; L35-Y56 HydrophobicContact CD2-CE2 4.25Å; L35-L59 HydrophobicContact CD2-CD2 4.44Å; L35-F80 HydrophobicContact CB-CB 4.28Å; L35-F80 WeakPolarHBondContact CD1-O 3.45Å; L35-F80 PolarHBondContact N-O 3.38Å; L35-F80 VanDerWaalsContact O-CB 3.24Å; L35-F80 WeakPolarHBondContact O-CB 3.35Å; L35-Y82 HydrophobicContact CD1-CD2 3.81Å; L35-Y82 HydrophobicContact CD1-CE2 4.14Å
36L97.4Very high96.1Very high91 Ų9149.6 Ų49.648%0.47624%0.244SC..SBendtrans-74-37.3175.9-59.7179.9000111.5K21 L23 K34K21-L36 WeakPolarHBondContact O-CD1 3.11Å; L23-L36 PolarHBondContact O-N 3.36Å; K34-L36 HydrophobicContact CD-CD2 4.14Å; K34-L36 HydrophobicContact CG-CD2 4.14Å; K34-L36 PolarHBondContact O-N 3.31Å
37K97.6Very high96.1Very high107 Ų10752.6 Ų52.647%0.46527%0.265SS..SBendtrans-125.981.9175.9-59.2-168.1-165.1176.10110H22 L23 E39 E40 V41H22-K37 WeakPolarHBondContact O-CE 3.37Å; L23-K37 HydrophobicContact CD2-CB 4.1Å; L23-K37 HydrophobicContact CD2-CD 3.79Å; L23-K37 HydrophobicContact CD2-CG 4.29Å; L23-K37 PolarHBondContact O-N 3.14Å; K37-E39 VanDerWaalsContact C-N 3.3Å; K37-E39 PolarHBondContact O-N 3.48Å; K37-E40 HydrophobicContact CB-CB 4.06Å; K37-E40 HydrophobicContact CB-CG 3.95Å; K37-E40 HydrophobicContact CD-CG 4.11Å; K37-E40 PolarHBondContact O-N 3.49Å; K37-E40 VanDerWaalsContact O-N 3.14Å; K37-V41 PolarHBondContact O-N 3.46Å; K37-V41 VanDerWaalsContact O-N 3.14Å
38S97.4Very high96.1Very high17 Ų1752.6 Ų52.612%0.11926%0.257CS..Hα-helixtrans-48.3-46.9-176.756.20000113.8A42S38-A42 WeakPolarHBondContact O-CB 3.3Å; S38-A42 PolarHBondContact O-N 3Å
39E97.8Very high96.1Very high74 Ų7455 Ų5535%0.34626%0.264SS..Hα-helixtrans-71.8-34.2-177.4-55.2-34.2115.800113K37 A42 K43 Y56K37-E39 VanDerWaalsContact C-N 3.3Å; K37-E39 PolarHBondContact O-N 3.48Å; E39-A42 CarbonylContact O-C 3.56Å; E39-A42 PolarHBondContact O-N 2.87Å; E39-K43 VanDerWaalsContact O-CG 3.3Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 3.05Å; E39-Y56 VanDerWaalsContact CD-CB 3.5Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.34Å; E39-Y56 VanDerWaalsContact OE2-CB 3.3Å; E39-Y56 WeakPolarHBondContact OE2-CB 3.4Å; E39-Y56 PolarHBondContact OE2-N 3.15Å
40E97.1Very high96.3Very high71 Ų7155.2 Ų55.233%0.33227%0.265SS..Hα-helixtrans-71.8-38.9179-55.7-47.113000111.1L23 K37 A42 K43 L44L23-E40 HydrophobicContact CD1-CB 4.39Å; L23-E40 HydrophobicContact CD2-CB 3.85Å; L23-E40 HydrophobicContact CD2-CG 4.35Å; K37-E40 HydrophobicContact CB-CB 4.06Å; K37-E40 HydrophobicContact CB-CG 3.95Å; K37-E40 HydrophobicContact CD-CG 4.11Å; K37-E40 PolarHBondContact O-N 3.49Å; K37-E40 VanDerWaalsContact O-N 3.14Å; E40-A42 VanDerWaalsContact C-N 3.27Å; E40-A42 PolarHBondContact O-N 2.87Å; E40-K43 PolarHBondContact O-N 3.38Å; E40-K43 IonicContact OE1-NZ 2.68Å; E40-K43 PolarHBondContact OE1-NZ 3.21Å; E40-K43 VanDerWaalsContact OE2-CD 3.3Å; E40-K43 WeakPolarHBondContact OE2-CD 3.34Å; E40-K43 IonicContact OE2-NZ 2.99Å; E40-K43 PolarHBondContact OE2-NZ 2.98Å; E40-L44 WeakPolarHBondContact O-CG 3.14Å; E40-L44 PolarHBondContact O-N 3.3Å
41V97.8Very high96.5Very high0 Ų057.6 Ų57.60%027%0.272CS..Hα-helixtrans-60.3-40169.9178.30000110.7L11 L14 L23 I24 L35 K37 L44 W45 L59L11-V41 HydrophobicContact CD2-CG1 3.54Å; L14-V41 HydrophobicContact CD1-CG1 4.16Å; L23-V41 HydrophobicContact CB-CG2 3.88Å; I24-V41 HydrophobicContact CB-CG2 4.12Å; L35-V41 HydrophobicContact CD2-CB 4.04Å; L35-V41 HydrophobicContact CD2-CG1 3.86Å; L35-V41 HydrophobicContact CD2-CG2 4.31Å; K37-V41 PolarHBondContact O-N 3.46Å; K37-V41 VanDerWaalsContact O-N 3.14Å; V41-L44 PolarHBondContact O-N 2.96Å; V41-W45 PolarHBondContact O-N 3.48Å; V41-L59 HydrophobicContact CG1-CD1 4.29Å
42A98Very high96.5Very high0 Ų063.6 Ų63.60%031%0.308CS..Hα-helixtrans-69.6-36.5176.700000113.7S38 E39 E40 W45 G46 M54 L59S38-A42 WeakPolarHBondContact O-CB 3.3Å; S38-A42 PolarHBondContact O-N 3Å; E39-A42 CarbonylContact O-C 3.56Å; E39-A42 PolarHBondContact O-N 2.87Å; E40-A42 VanDerWaalsContact C-N 3.27Å; E40-A42 PolarHBondContact O-N 2.87Å; A42-W45 PolarHBondContact O-N 2.98Å; A42-G46 PolarHBondContact O-N 3.5Å; A42-M54 HydrophobicContact CB-CG 4.45Å; A42-M54 WeakPolarHBondContact O-CG 3.45Å; A42-L59 HydrophobicContact CB-CB 4.3Å; A42-L59 HydrophobicContact CB-CD1 4Å
43K97.3Very high96.4Very high115 Ų11568.3 Ų68.350%0.533%0.334SS..Hα-helixtrans-64.6-42.7171.7-72.7168.6-170.2170.80111.6E39 E40 G46 L47E39-K43 VanDerWaalsContact O-CG 3.3Å; E39-K43 WeakPolarHBondContact O-CG 3.47Å; E39-K43 PolarHBondContact O-N 3.05Å; E40-K43 PolarHBondContact O-N 3.38Å; E40-K43 IonicContact OE1-NZ 2.68Å; E40-K43 PolarHBondContact OE1-NZ 3.21Å; E40-K43 VanDerWaalsContact OE2-CD 3.3Å; E40-K43 WeakPolarHBondContact OE2-CD 3.34Å; E40-K43 IonicContact OE2-NZ 2.99Å; E40-K43 PolarHBondContact OE2-NZ 2.98Å; K43-G46 CarbonylContact O-C 3.57Å; K43-G46 WeakPolarHBondContact O-CA 3.39Å; K43-G46 PolarHBondContact O-N 2.99Å; K43-L47 PolarHBondContact O-N 2.83Å
44L96.6Very high96.4Very high49 Ų4970 Ų7026%0.25734%0.343SS..Hα-helixtrans-64.4-39.2175.6-69.7176.1000111.6F10 L14 L23 E40 V41 G46 L47 R48F10-L44 VanDerWaalsContact CZ-C 3.49Å; F10-L44 HydrophobicContact CZ-CB 3.76Å; L14-L44 HydrophobicContact CD1-CD1 4.45Å; L14-L44 HydrophobicContact CD2-CD1 4.36Å; L23-L44 HydrophobicContact CD1-CD1 3.43Å; L23-L44 VanDerWaalsContact CD1-CD1 3.43Å; E40-L44 WeakPolarHBondContact O-CG 3.14Å; E40-L44 PolarHBondContact O-N 3.3Å; V41-L44 PolarHBondContact O-N 2.96Å; L44-G46 VanDerWaalsContact C-N 3.34Å; L44-L47 PolarHBondContact O-N 3.02Å; L44-R48 WeakPolarHBondContact O-CB 3.14Å; L44-R48 PolarHBondContact O-N 3.37Å
45W96.9Very high96.5Very high25 Ų2568.9 Ų68.910%0.09534%0.34CS..Hα-helixtrans-63-41.6171.2177.6-127.3000111.9I5 T6 L7 F10 V41 A42 R48 K49 L59I5-W45 HydrophobicContact CG2-CZ3 4.29Å; T6-W45 VanDerWaalsContact C-CH2 3.46Å; L7-W45 HydrophobicContact CB-CH2 4.13Å; L7-W45 HydrophobicContact CB-CZ2 3.82Å; L7-W45 HydrophobicContact CD1-CD2 3.79Å; L7-W45 HydrophobicContact CD1-CE3 4.28Å; L7-W45 HydrophobicContact CD1-CG 3.93Å; L7-W45 HydrophobicContact CD1-CZ2 4.42Å; F10-W45 HydrophobicContact CB-CE3 3.73Å; F10-W45 HydrophobicContact CB-CZ3 3.63Å; F10-W45 HydrophobicContact CD1-CB 4.06Å; F10-W45 HydrophobicContact CD1-CD2 4.17Å; F10-W45 AromaticContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CE3 3.54Å; F10-W45 HydrophobicContact CD1-CG 4.41Å; F10-W45 HydrophobicContact CD1-CZ3 4.33Å; F10-W45 HydrophobicContact CD2-CE3 4.09Å; F10-W45 HydrophobicContact CE1-CB 3.59Å; F10-W45 HydrophobicContact CE1-CE3 4.16Å; F10-W45 HydrophobicContact CE1-CG 4.4Å; F10-W45 AromaticContact CG-CE3 3.49Å; F10-W45 HydrophobicContact CG-CE3 3.49Å; F10-W45 VanDerWaalsContact CG-CE3 3.49Å; F10-W45 AromaticContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CG-CZ3 3.92Å; F10-W45 HydrophobicContact CZ-CB 4.12Å; F10-W45 VanDerWaalsContact CZ-N 3.33Å; V41-W45 PolarHBondContact O-N 3.48Å; A42-W45 PolarHBondContact O-N 2.98Å; W45-R48 HydrophobicContact CE3-CB 4.49Å; W45-R48 PolarHBondContact O-N 2.8Å; W45-K49 HydrophobicContact CD2-CG 4.05Å; W45-K49 HydrophobicContact CE3-CD 4.48Å; W45-K49 HydrophobicContact CE3-CG 3.88Å; W45-K49 HydrophobicContact CH2-CD 3.57Å; W45-K49 HydrophobicContact CH2-CG 3.55Å; W45-K49 HydrophobicContact CZ2-CD 4.14Å; W45-K49 HydrophobicContact CZ2-CG 3.7Å; W45-K49 HydrophobicContact CZ3-CD 3.77Å; W45-K49 HydrophobicContact CZ3-CG 3.64Å; W45-K49 PolarHBondContact O-N 3.45Å; W45-K49 VanDerWaalsContact O-N 3.12Å; W45-L59 HydrophobicContact CB-CD1 3.94Å; W45-L59 HydrophobicContact CG-CD1 4.2Å
46G96.4Very high96.5Very high2 Ų270.2 Ų70.22%0.02135%0.345CS..Hα-helixtrans-55.8-52.717200000111.9A42 K43 L44 R48 K49 N50 K51A42-G46 PolarHBondContact O-N 3.5Å; K43-G46 CarbonylContact O-C 3.57Å; K43-G46 WeakPolarHBondContact O-CA 3.39Å; K43-G46 PolarHBondContact O-N 2.99Å; L44-G46 VanDerWaalsContact C-N 3.34Å; G46-R48 PolarHBondContact O-N 3.04Å; G46-K49 CarbonylContact O-C 3.5Å; G46-K49 PolarHBondContact O-N 3.31Å; G46-N50 CarbonylContact O-C 3.6Å; G46-N50 WeakPolarHBondContact O-CA 3.36Å; G46-N50 PolarHBondContact O-N 2.71Å; G46-K51 WeakPolarHBondContact CA-O 3.49Å; G46-K51 PolarHBondContact O-N 3Å
47L95.4Very high96.5Very high137 Ų13771 Ų7172%0.71735%0.35SS*.Hα-helixtrans-57.1-47.8176.2-175.662.5000111.4K43 L44 K49 N50K43-L47 PolarHBondContact O-N 2.83Å; L44-L47 PolarHBondContact O-N 3.02Å; L47-K49 PolarHBondContact O-N 3.26Å; L47-N50 PolarHBondContact O-N 3.24Å; L47-N50 VanDerWaalsContact O-N 3.13Å
48R94.6Very high96.5Very high70 Ų7071.4 Ų71.426%0.26435%0.352SS..Hα-helixtrans-62.8-22.2-179.3-169.364.2178.3112.34.6114.2E2 S3 I5 F10 L44 W45 G46E2-R48 IonicContact OE1-NH1 3.64Å; S3-R48 PolarHBondContact OG-NH2 2.82Å; I5-R48 HydrophobicContact CG2-CG 3.99Å; F10-R48 HydrophobicContact CD2-CB 4.14Å; F10-R48 HydrophobicContact CD2-CG 3.86Å; F10-R48 HydrophobicContact CE2-CB 3.94Å; F10-R48 HydrophobicContact CE2-CG 4.1Å; L44-R48 WeakPolarHBondContact O-CB 3.14Å; L44-R48 PolarHBondContact O-N 3.37Å; W45-R48 HydrophobicContact CE3-CB 4.49Å; W45-R48 PolarHBondContact O-N 2.8Å; G46-R48 PolarHBondContact O-N 3.04Å
49K93.9Very high96.6Very high83 Ų8370.7 Ų70.736%0.36135%0.347SS..THydrogen-bonded Turntrans-114.411.6176.6-57-65.1-75.3-166.50113.6I5 W45 G46 L47 K51I5-K49 HydrophobicContact CG2-CD 4.14Å; I5-K49 PolarHBondContact O-NZ 3.13Å; W45-K49 HydrophobicContact CD2-CG 4.05Å; W45-K49 HydrophobicContact CE3-CD 4.48Å; W45-K49 HydrophobicContact CE3-CG 3.88Å; W45-K49 HydrophobicContact CH2-CD 3.57Å; W45-K49 HydrophobicContact CH2-CG 3.55Å; W45-K49 HydrophobicContact CZ2-CD 4.14Å; W45-K49 HydrophobicContact CZ2-CG 3.7Å; W45-K49 HydrophobicContact CZ3-CD 3.77Å; W45-K49 HydrophobicContact CZ3-CG 3.64Å; W45-K49 PolarHBondContact O-N 3.45Å; W45-K49 VanDerWaalsContact O-N 3.12Å; G46-K49 CarbonylContact O-C 3.5Å; G46-K49 PolarHBondContact O-N 3.31Å; L47-K49 PolarHBondContact O-N 3.26Å; K49-K51 VanDerWaalsContact C-N 3.32Å; K49-K51 HydrophobicContact CB-CG 4.25Å; K49-K51 PolarHBondContact O-N 3.33Å
50N94Very high96.6Very high137 Ų13767.3 Ų67.373%0.73333%0.331SS*.THydrogen-bonded Turntrans46.548.9-171.8-162.414.3000113.9G46 L47G46-N50 CarbonylContact O-C 3.6Å; G46-N50 WeakPolarHBondContact O-CA 3.36Å; G46-N50 PolarHBondContact O-N 2.71Å; L47-N50 PolarHBondContact O-N 3.24Å; L47-N50 VanDerWaalsContact O-N 3.13Å
51K94.4Very high96.6Very high127 Ų12769.1 Ų69.155%0.55234%0.335SS*.  trans-119.886175.5-58.5-55.9174.2-169.50109.8G46 K49 N53 M54G46-K51 WeakPolarHBondContact CA-O 3.49Å; G46-K51 PolarHBondContact O-N 3Å; K49-K51 VanDerWaalsContact C-N 3.32Å; K49-K51 HydrophobicContact CB-CG 4.25Å; K49-K51 PolarHBondContact O-N 3.33Å; K51-N53 PolarHBondContact O-N 3.26Å; K51-M54 HydrophobicContact CB-CE 4.23Å; K51-M54 VanDerWaalsContact O-CB 3.31Å; K51-M54 WeakPolarHBondContact O-CB 3.46Å; K51-M54 PolarHBondContact O-N 3.34Å
52T93.3Very high96.6Very high125 Ų12570.6 Ų70.677%0.76735%0.347SS*.THydrogen-bonded Turntrans-55.6-35.3178.651.30000113.5M54T52-M54 PolarHBondContact O-N 3.02Å; T52-M54 VanDerWaalsContact O-N 3.16Å
53N95.8Very high96.6Very high132 Ų13270.6 Ų70.671%0.70635%0.347SS*.THydrogen-bonded Turntrans-82.628.6178.6-68.4-48.1000114.1K51 K58K51-N53 PolarHBondContact O-N 3.26Å; N53-K58 PolarHBondContact O-NZ 3.37Å
54M98.1Very high96.6Very high36 Ų3670.5 Ų70.518%0.17734%0.343CS..  trans-84.9138.8175.3-170.161.268.700111.2A42 K51 T52 K58A42-M54 HydrophobicContact CB-CG 4.45Å; A42-M54 WeakPolarHBondContact O-CG 3.45Å; K51-M54 HydrophobicContact CB-CE 4.23Å; K51-M54 VanDerWaalsContact O-CB 3.31Å; K51-M54 WeakPolarHBondContact O-CB 3.46Å; K51-M54 PolarHBondContact O-N 3.34Å; T52-M54 PolarHBondContact O-N 3.02Å; T52-M54 VanDerWaalsContact O-N 3.16Å; M54-K58 HydrophobicContact SD-CB 3.75Å
55N98.2Very high96.6Very high47 Ų4774.4 Ų74.425%0.25136%0.356SS..  trans-145.4172.9176.575.9-23.6000110.3D57 K58 L59N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact ND2-OD2 3.05Å; N55-D57 PolarHBondContact O-N 3.49Å; N55-K58 PolarHBondContact O-N 3.33Å; N55-K58 WeakPolarHBondContact OD1-CD 3.24Å; N55-K58 VanDerWaalsContact OD1-CG 3.26Å; N55-K58 WeakPolarHBondContact OD1-CG 3.24Å; N55-K58 PolarHBondContact OD1-N 2.71Å; N55-K58 VanDerWaalsContact OD1-N 3.13Å; N55-L59 PolarHBondContact O-N 3.38Å
56Y98.4Very high96.6Very high29 Ų2974 Ų7411%0.11436%0.355CS..Hα-helixtrans-63.8-30.3-178.6176.8-105.5000113.9L35 E39 K58 L59 S60 F80 Y82L35-Y56 HydrophobicContact CD2-CD2 4.43Å; L35-Y56 HydrophobicContact CD2-CE2 4.25Å; E39-Y56 VanDerWaalsContact CD-CB 3.5Å; E39-Y56 WeakPolarHBondContact OE1-CB 3.34Å; E39-Y56 VanDerWaalsContact OE2-CB 3.3Å; E39-Y56 WeakPolarHBondContact OE2-CB 3.4Å; E39-Y56 PolarHBondContact OE2-N 3.15Å; Y56-K58 VanDerWaalsContact C-N 3.34Å; Y56-K58 PolarHBondContact O-N 3.16Å; Y56-L59 PolarHBondContact O-N 3.37Å; Y56-S60 WeakPolarHBondContact O-CA 3.44Å; Y56-S60 WeakPolarHBondContact O-CB 3.15Å; Y56-S60 PolarHBondContact O-N 2.71Å; Y56-S60 PolarHBondContact O-OG 3Å; Y56-F80 HydrophobicContact CD1-CE1 4.1Å; Y56-F80 AromaticContact CE1-CD1 3.92Å; Y56-F80 HydrophobicContact CE1-CD1 3.92Å; Y56-F80 AromaticContact CE1-CE1 3.63Å; Y56-F80 HydrophobicContact CE1-CE1 3.63Å; Y56-F80 HydrophobicContact CE2-CD1 4.08Å; Y56-F80 HydrophobicContact CE2-CE1 4.48Å; Y56-F80 AromaticContact CZ-CD1 3.59Å; Y56-F80 AromaticContact CZ-CE1 3.83Å; Y56-Y82 PolarHBondContact OH-OH 3.18Å
57D98.1Very high96.6Very high109 Ų10976.8 Ų76.858%0.58337%0.365SS*.Hα-helixtrans-60.5-45.4176.6-59.5-62.1000111.5N55 S60 R61N55-D57 VanDerWaalsContact C-N 3.3Å; N55-D57 PolarHBondContact ND2-OD2 3.05Å; N55-D57 PolarHBondContact O-N 3.49Å; D57-S60 PolarHBondContact O-OG 2.83Å; D57-R61 PolarHBondContact O-N 3.24Å
58K97.8Very high96.5Very high115 Ų11576.7 Ų76.750%0.537%0.365SS..Hα-helixtrans-68.1-44.5177.4-67.2168.1-166178.90111.8N53 M54 N55 Y56 S60 R61 A62N53-K58 PolarHBondContact O-NZ 3.37Å; M54-K58 HydrophobicContact SD-CB 3.75Å; N55-K58 PolarHBondContact O-N 3.33Å; N55-K58 WeakPolarHBondContact OD1-CD 3.24Å; N55-K58 VanDerWaalsContact OD1-CG 3.26Å; N55-K58 WeakPolarHBondContact OD1-CG 3.24Å; N55-K58 PolarHBondContact OD1-N 2.71Å; N55-K58 VanDerWaalsContact OD1-N 3.13Å; Y56-K58 VanDerWaalsContact C-N 3.34Å; Y56-K58 PolarHBondContact O-N 3.16Å; K58-S60 PolarHBondContact O-N 3.4Å; K58-R61 PolarHBondContact O-N 3.46Å; K58-A62 PolarHBondContact O-N 2.98Å
59L98.3Very high96.4Very high1 Ų176.6 Ų76.61%0.00537%0.366CS..Hα-helixtrans-62-43.8176.1-172.9154.6000111.3L7 L35 V41 A42 W45 N55 Y56 R61 A62 L63L7-L59 HydrophobicContact CD1-CD1 3.91Å; L7-L59 HydrophobicContact CD1-CD2 4.38Å; L7-L59 HydrophobicContact CD1-CG 3.86Å; L7-L59 HydrophobicContact CD2-CD2 4.19Å; L7-L59 HydrophobicContact CD2-CG 3.94Å; L35-L59 HydrophobicContact CD2-CD2 4.44Å; V41-L59 HydrophobicContact CG1-CD1 4.29Å; A42-L59 HydrophobicContact CB-CB 4.3Å; A42-L59 HydrophobicContact CB-CD1 4Å; W45-L59 HydrophobicContact CB-CD1 3.94Å; W45-L59 HydrophobicContact CG-CD1 4.2Å; N55-L59 PolarHBondContact O-N 3.38Å; Y56-L59 PolarHBondContact O-N 3.37Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 3.46Å; L59-A62 WeakPolarHBondContact O-CB 3.47Å; L59-A62 PolarHBondContact O-N 3.15Å; L59-A62 VanDerWaalsContact O-N 3.15Å; L59-L63 HydrophobicContact CD2-CD1 3.73Å; L59-L63 HydrophobicContact CD2-CG 4.02Å; L59-L63 PolarHBondContact O-N 3.5Å
60S98Very high96.4Very high3 Ų375.6 Ų75.62%0.02137%0.365CS..Hα-helixtrans-69.1-24.5177.674.40000112.5Y56 D57 K58 A62 L63 R64Y56-S60 WeakPolarHBondContact O-CA 3.44Å; Y56-S60 WeakPolarHBondContact O-CB 3.15Å; Y56-S60 PolarHBondContact O-N 2.71Å; Y56-S60 PolarHBondContact O-OG 3Å; D57-S60 PolarHBondContact O-OG 2.83Å; K58-S60 PolarHBondContact O-N 3.4Å; S60-A62 VanDerWaalsContact C-N 3.33Å; S60-L63 PolarHBondContact O-N 3.21Å; S60-R64 WeakPolarHBondContact O-CG 3.5Å; S60-R64 PolarHBondContact O-N 3.31Å; S60-R64 PolarHBondContact O-NH1 3.07Å; S60-R64 PolarHBondContact OG-NH1 3.41Å
61R98.1Very high96.4Very high110 Ų11069.4 Ų69.442%0.41533%0.332SS..Hα-helixtrans-67.6-36.1171.2-173.865.2-166.793.3-15111.6D57 K58 L59 R64 Y65D57-R61 PolarHBondContact O-N 3.24Å; K58-R61 PolarHBondContact O-N 3.46Å; L59-R61 VanDerWaalsContact C-N 3.28Å; L59-R61 PolarHBondContact O-N 3.46Å; R61-R64 PolarHBondContact O-N 3.19Å; R61-Y65 HydrophobicContact CG-CE2 4.19Å; R61-Y65 VanDerWaalsContact NH1-CD1 3.32Å; R61-Y65 PolarHBondContact NH2-OH 2.99Å; R61-Y65 WeakPolarHBondContact O-CD2 3.32Å; R61-Y65 PolarHBondContact O-N 3.03Å
62A96.6Very high96.5Very high30 Ų3063.3 Ų63.325%0.24831%0.305CS..Hα-helixtrans-69.4-43.2171.500000112.1L7 K58 L59 S60 R64 Y65 Y66L7-A62 HydrophobicContact CD2-CB 3.56Å; K58-A62 PolarHBondContact O-N 2.98Å; L59-A62 WeakPolarHBondContact O-CB 3.47Å; L59-A62 PolarHBondContact O-N 3.15Å; L59-A62 VanDerWaalsContact O-N 3.15Å; S60-A62 VanDerWaalsContact C-N 3.33Å; A62-R64 PolarHBondContact O-N 3.3Å; A62-Y65 PolarHBondContact O-N 2.96Å; A62-Y66 PolarHBondContact O-N 3.13Å
63L97.9Very high96.7Very high0 Ų061.8 Ų61.80%029%0.288CS..Hα-helixtrans-56-37.2172.5-71.6177.7000112.8L7 L11 L59 S60 Y65 Y66 Y67 I72 Y82L7-L63 HydrophobicContact CD2-CD2 4.24Å; L7-L63 HydrophobicContact CD2-CG 4.24Å; L11-L63 HydrophobicContact CD1-CD2 3.69Å; L59-L63 HydrophobicContact CD2-CD1 3.73Å; L59-L63 HydrophobicContact CD2-CG 4.02Å; L59-L63 PolarHBondContact O-N 3.5Å; S60-L63 PolarHBondContact O-N 3.21Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-Y65 PolarHBondContact O-N 3.3Å; L63-Y66 HydrophobicContact CD2-CD2 4.24Å; L63-Y66 WeakPolarHBondContact O-CB 3.06Å; L63-Y66 PolarHBondContact O-N 3.43Å; L63-Y66 VanDerWaalsContact O-N 3.14Å; L63-Y67 WeakPolarHBondContact O-CD1 3.33Å; L63-Y67 WeakPolarHBondContact O-CE1 3.3Å; L63-I72 HydrophobicContact CD2-CD1 3.92Å; L63-I72 HydrophobicContact CD2-CG2 4.48Å; L63-Y82 HydrophobicContact CB-CE1 4.23Å; L63-Y82 HydrophobicContact CD1-CD1 4.32Å; L63-Y82 HydrophobicContact CD1-CD2 4.12Å; L63-Y82 HydrophobicContact CD1-CE1 3.99Å; L63-Y82 HydrophobicContact CD1-CE2 3.78Å; L63-Y82 HydrophobicContact CD1-CG 4.39Å
64R97.7Very high96.8Very high113 Ų11358.8 Ų58.843%0.42627%0.269SS..Hα-helixtrans-63.2-34.5174.9-72.4173.8-170.589.8-15.3113.2S60 R61 A62 Y66 Y67S60-R64 WeakPolarHBondContact O-CG 3.5Å; S60-R64 PolarHBondContact O-N 3.31Å; S60-R64 PolarHBondContact O-NH1 3.07Å; S60-R64 PolarHBondContact OG-NH1 3.41Å; R61-R64 PolarHBondContact O-N 3.19Å; A62-R64 PolarHBondContact O-N 3.3Å; R64-Y66 PolarHBondContact O-N 3.3Å; R64-Y67 HydrophobicContact CB-CE2 4.22Å; R64-Y67 HydrophobicContact CG-CE2 3.89Å; R64-Y67 PolarHBondContact O-N 3.4Å
65Y96.9Very high96.8Very high131 Ų13158.3 Ų58.351%0.51427%0.268SS..Hα-helixtrans-70.5-13.1175.4-65.7-56.5000113.3R61 A62 L63 K69R61-Y65 HydrophobicContact CG-CE2 4.19Å; R61-Y65 VanDerWaalsContact NH1-CD1 3.32Å; R61-Y65 PolarHBondContact NH2-OH 2.99Å; R61-Y65 WeakPolarHBondContact O-CD2 3.32Å; R61-Y65 PolarHBondContact O-N 3.03Å; A62-Y65 PolarHBondContact O-N 2.96Å; L63-Y65 VanDerWaalsContact C-N 3.33Å; L63-Y65 PolarHBondContact O-N 3.3Å; Y65-K69 WeakPolarHBondContact O-CG 3.43Å
66Y96.8Very high96.7Very high18 Ų1863.3 Ų63.37%0.07129%0.293CS..Hα-helixtrans-87.9-6.7176.9-66.1-32.6000114.2L7 W8 A62 L63 R64 N70 I71 I72L7-Y66 HydrophobicContact CB-CE2 4.01Å; L7-Y66 HydrophobicContact CD2-CE2 4.26Å; L7-Y66 HydrophobicContact CG-CE2 4.28Å; L7-Y66 PolarHBondContact N-OH 2.74Å; W8-Y66 HydrophobicContact CB-CD2 4.4Å; W8-Y66 HydrophobicContact CB-CE2 3.86Å; W8-Y66 AromaticContact CD1-CZ 3.82Å; A62-Y66 PolarHBondContact O-N 3.13Å; L63-Y66 HydrophobicContact CD2-CD2 4.24Å; L63-Y66 WeakPolarHBondContact O-CB 3.06Å; L63-Y66 PolarHBondContact O-N 3.43Å; L63-Y66 VanDerWaalsContact O-N 3.14Å; R64-Y66 PolarHBondContact O-N 3.3Å; Y66-N70 PolarHBondContact O-N 2.91Å; Y66-I71 HydrophobicContact CD1-CB 4.46Å; Y66-I71 HydrophobicContact CD1-CD1 3.72Å; Y66-I71 HydrophobicContact CE1-CD1 3.99Å; Y66-I71 HydrophobicContact CG-CB 4.41Å; Y66-I71 HydrophobicContact CG-CD1 4.48Å; Y66-I71 PolarHBondContact O-N 3.06Å; Y66-I71 VanDerWaalsContact O-N 3.09Å; Y66-I72 CarbonylContact C-O 3.25Å; Y66-I72 VanDerWaalsContact C-O 3.25Å; Y66-I72 HydrophobicContact CD2-CD1 4.08Å; Y66-I72 PolarHBondContact O-N 3.14Å; Y66-I72 VanDerWaalsContact O-O 3.05Å
67Y95.9Very high96.6Very high60 Ų6066.1 Ų66.124%0.23533%0.331CS..Hα-helixtrans-67.4-52.6179.7-61.6-2000110.5L63 R64 N70 I72 K74 Y82L63-Y67 WeakPolarHBondContact O-CD1 3.33Å; L63-Y67 WeakPolarHBondContact O-CE1 3.3Å; R64-Y67 HydrophobicContact CB-CE2 4.22Å; R64-Y67 HydrophobicContact CG-CE2 3.89Å; R64-Y67 PolarHBondContact O-N 3.4Å; Y67-N70 PolarHBondContact O-N 2.91Å; Y67-I72 WeakPolarHBondContact CA-O 3.32Å; Y67-I72 WeakPolarHBondContact CD1-O 3.47Å; Y67-I72 PolarHBondContact N-O 3.05Å; Y67-K74 HydrophobicContact CE1-CB 3.96Å; Y67-K74 HydrophobicContact CE2-CB 4.08Å; Y67-Y82 HydrophobicContact CE1-CD1 4.49Å; Y67-Y82 HydrophobicContact CE1-CE1 4.2Å
68D93.5Very high96.5Very high135 Ų13564.4 Ų64.472%0.72232%0.319SS*.Hα-helixtrans-75-34-176.1-42.7-44.4000111.1N70D68-N70 PolarHBondContact O-N 3.07Å; D68-N70 VanDerWaalsContact O-N 3.12Å; D68-N70 PolarHBondContact O-ND2 3.24Å
69K92.4Very high96.5Very high67 Ų6766.6 Ų66.629%0.29133%0.329SS..THydrogen-bonded Turntrans-68.9-0.5171.8-61.4-173.670.3170.60114Y65 I71 E99Y65-K69 WeakPolarHBondContact O-CG 3.43Å; K69-I71 HydrophobicContact CB-CD1 4.02Å; K69-I71 HydrophobicContact CB-CG1 3.97Å; K69-I71 HydrophobicContact CD-CD1 4.43Å; K69-I71 PolarHBondContact O-N 3.14Å; K69-I71 VanDerWaalsContact O-N 3.15Å; K69-E99 WeakPolarHBondContact CE-O 3.4Å; K69-E99 PolarHBondContact NZ-O 3.33Å; K69-E99 IonicContact NZ-OE1 2.71Å; K69-E99 PolarHBondContact NZ-OE1 3.34Å; K69-E99 IonicContact NZ-OE2 3.94Å
70N94.1Very high96.5Very high63 Ų6369.7 Ų69.734%0.33734%0.342SS..THydrogen-bonded Turntrans55.426.5-177.7-67-64.9000115.1Y66 Y67 D68 K73 V85Y66-N70 PolarHBondContact O-N 2.91Å; Y67-N70 PolarHBondContact O-N 2.91Å; D68-N70 PolarHBondContact O-N 3.07Å; D68-N70 VanDerWaalsContact O-N 3.12Å; D68-N70 PolarHBondContact O-ND2 3.24Å; N70-K73 WeakPolarHBondContact OD1-CE 3.35Å; N70-K73 PolarHBondContact OD1-NZ 2.85Å; N70-V85 WeakPolarHBondContact O-CB 3.46Å; N70-V85 WeakPolarHBondContact O-CG2 3.35Å
71I94.6Very high96.5Very high6 Ų669.5 Ų69.53%0.03134%0.341CS..SBendtrans-89.7-50.7179.3-50.4173.1000110.3W8 Y66 K69 V85 I90 V98W8-I71 HydrophobicContact CB-CG2 3.99Å; W8-I71 HydrophobicContact CD2-CG2 4.22Å; W8-I71 HydrophobicContact CG-CG2 3.84Å; Y66-I71 HydrophobicContact CD1-CB 4.46Å; Y66-I71 HydrophobicContact CD1-CD1 3.72Å; Y66-I71 HydrophobicContact CE1-CD1 3.99Å; Y66-I71 HydrophobicContact CG-CB 4.41Å; Y66-I71 HydrophobicContact CG-CD1 4.48Å; Y66-I71 PolarHBondContact O-N 3.06Å; Y66-I71 VanDerWaalsContact O-N 3.09Å; K69-I71 HydrophobicContact CB-CD1 4.02Å; K69-I71 HydrophobicContact CB-CG1 3.97Å; K69-I71 HydrophobicContact CD-CD1 4.43Å; K69-I71 PolarHBondContact O-N 3.14Å; K69-I71 VanDerWaalsContact O-N 3.15Å; I71-V85 PolarHBondContact O-N 3.46Å; I71-V85 VanDerWaalsContact O-N 3.16Å; I71-I90 HydrophobicContact CG2-CD1 3.82Å; I71-V98 HydrophobicContact CB-CG1 4.48Å; I71-V98 HydrophobicContact CD1-CG1 3.93Å; I71-V98 VanDerWaalsContact CD1-O 3.3Å; I71-V98 WeakPolarHBondContact CD1-O 3.3Å; I71-V98 HydrophobicContact CG1-CG1 3.87Å; I71-V98 HydrophobicContact CG2-CG1 3.85Å
72I97.1Very high96.5Very high0 Ų064.7 Ų64.70%032%0.323CS..EExtended strand (participates in β ladder)trans-137129.1179.5-63.3173.3000108W8 F33 L63 Y66 Y67 Y82 K83 F84W8-I72 HydrophobicContact CB-CD1 4.02Å; F33-I72 HydrophobicContact CE1-CD1 4.45Å; F33-I72 HydrophobicContact CE1-CG2 4.23Å; F33-I72 HydrophobicContact CZ-CD1 4.22Å; F33-I72 HydrophobicContact CZ-CG2 4.27Å; L63-I72 HydrophobicContact CD2-CD1 3.92Å; L63-I72 HydrophobicContact CD2-CG2 4.48Å; Y66-I72 CarbonylContact C-O 3.25Å; Y66-I72 VanDerWaalsContact C-O 3.25Å; Y66-I72 HydrophobicContact CD2-CD1 4.08Å; Y66-I72 PolarHBondContact O-N 3.14Å; Y66-I72 VanDerWaalsContact O-O 3.05Å; Y67-I72 WeakPolarHBondContact CA-O 3.32Å; Y67-I72 WeakPolarHBondContact CD1-O 3.47Å; Y67-I72 PolarHBondContact N-O 3.05Å; I72-Y82 HydrophobicContact CG2-CD1 4.18Å; I72-Y82 HydrophobicContact CG2-CG 4.4Å; I72-K83 CarbonylContact C-O 3.52Å; I72-K83 WeakPolarHBondContact CA-O 3.3Å; I72-F84 HydrophobicContact CD1-CD1 4.13Å; I72-F84 HydrophobicContact CD1-CE1 3.64Å; I72-F84 HydrophobicContact CD1-CZ 3.97Å; I72-F84 HydrophobicContact CG1-CD1 3.59Å; I72-F84 HydrophobicContact CG1-CE1 3.64Å; I72-F84 HydrophobicContact CG1-CG 4.26Å; I72-F84 HydrophobicContact CG1-CZ 4.32Å
73K96.9Very high96.5Very high92 Ų9266.6 Ų66.640%0.433%0.326SS..EExtended strand (participates in β ladder)trans-109.1157.3174-73.6178.7-178176.90111.8N70 K83 V85N70-K73 WeakPolarHBondContact OD1-CE 3.35Å; N70-K73 PolarHBondContact OD1-NZ 2.85Å; K73-K83 PolarHBondContact N-O 3.17Å; K73-K83 PolarHBondContact O-N 3.46Å; K73-V85 HydrophobicContact CB-CG2 4.3Å; K73-V85 HydrophobicContact CD-CG2 3.79Å; K73-V85 HydrophobicContact CG-CG2 3.7Å
74K97.5Very high96.5Very high69 Ų6966.6 Ų66.630%0.333%0.326SS..EExtended strand (participates in β ladder)trans-84.8124.4-179.9177.361.6-163.61430110.8Y67 I76 Q78 V81 Y82Y67-K74 HydrophobicContact CE1-CB 3.96Å; Y67-K74 HydrophobicContact CE2-CB 4.08Å; K74-I76 PolarHBondContact O-N 2.95Å; K74-Q78 PolarHBondContact NZ-O 3.23Å; K74-V81 PolarHBondContact NZ-O 3.43Å; K74-Y82 HydrophobicContact CB-CE1 4.5Å; K74-Y82 HydrophobicContact CD-CD1 4.01Å; K74-Y82 HydrophobicContact CD-CE1 3.56Å
75V97.3Very high96.2Very high27 Ų2764 Ų6416%0.16432%0.323CS..PPolyproline II helixtrans-75.6117167.8-178.50000108.7E32 Q78 V81 K83E32-V75 HydrophobicContact CG-CG2 4.1Å; E32-V75 WeakPolarHBondContact OE2-CG2 3.37Å; V75-Q78 HydrophobicContact CG1-CB 4.15Å; V75-Q78 HydrophobicContact CG1-CG 4.11Å; V75-V81 HydrophobicContact CB-CB 4.19Å; V75-V81 HydrophobicContact CB-CG1 3.82Å; V75-V81 HydrophobicContact CG1-CG1 4.16Å; V75-V81 HydrophobicContact CG2-CG1 3.81Å; V75-K83 HydrophobicContact CG2-CB 4.01Å
76I96.7Very high95.8Very high151 Ų15160.1 Ų60.177%0.77432%0.315SS*.SBendtrans-68.8154.7-18057.6172000111.5K74 Q78K74-I76 PolarHBondContact O-N 2.95Å; I76-Q78 PolarHBondContact O-N 3.43Å
77G96.3Very high95.3Very high89 Ų8961.8 Ų61.892%0.91832%0.322SS*.SBendtrans70.2-35.2-175.100000115.3
78Q96.9Very high94.7Very high72 Ų7263 Ų6334%0.33634%0.338SS..  trans-88.9122.5-174.3-66.3-151.871.700113.4E32 K74 V75 I76 V81E32-Q78 PolarHBondContact OE1-NE2 3.31Å; E32-Q78 VanDerWaalsContact OE1-NE2 3.13Å; K74-Q78 PolarHBondContact NZ-O 3.23Å; V75-Q78 HydrophobicContact CG1-CB 4.15Å; V75-Q78 HydrophobicContact CG1-CG 4.11Å; I76-Q78 PolarHBondContact O-N 3.43Å; Q78-V81 HydrophobicContact CB-CB 3.69Å; Q78-V81 HydrophobicContact CB-CG1 4.46Å; Q78-V81 HydrophobicContact CB-CG2 3.7Å; Q78-V81 HydrophobicContact CG-CG2 4.44Å
79K97.1Very high94.3Very high161 Ų16162.1 Ų62.170%0.733%0.329SS*.THydrogen-bonded Turntrans-70135.4172.6-63.3-175.871.4172.60110.7V81K79-V81 PolarHBondContact O-N 3.12Å; K79-V81 VanDerWaalsContact O-N 3.12Å
80F98Very high93.9Very high66 Ų6659.3 Ų59.329%0.28932%0.317SS..THydrogen-bonded Turntrans60.89.5178.3-46.8-71.3000117.3L35 Y56L35-F80 HydrophobicContact CB-CB 4.28Å; L35-F80 WeakPolarHBondContact CD1-O 3.45Å; L35-F80 PolarHBondContact N-O 3.38Å; L35-F80 VanDerWaalsContact O-CB 3.24Å; L35-F80 WeakPolarHBondContact O-CB 3.35Å; Y56-F80 HydrophobicContact CD1-CE1 4.1Å; Y56-F80 AromaticContact CE1-CD1 3.92Å; Y56-F80 HydrophobicContact CE1-CD1 3.92Å; Y56-F80 AromaticContact CE1-CE1 3.63Å; Y56-F80 HydrophobicContact CE1-CE1 3.63Å; Y56-F80 HydrophobicContact CE2-CD1 4.08Å; Y56-F80 HydrophobicContact CE2-CE1 4.48Å; Y56-F80 AromaticContact CZ-CD1 3.59Å; Y56-F80 AromaticContact CZ-CE1 3.83Å
81V98Very high93.3Very high0 Ų060.2 Ų60.20%032%0.322CS..EExtended strand (participates in β ladder)trans-97.2138.4175.7-175.60000111.9E32 F33 K34 K74 V75 Q78 K79E32-V81 HydrophobicContact CG-CG1 3.54Å; E32-V81 WeakPolarHBondContact OE1-CG1 3.34Å; F33-V81 CarbonylContact O-C 3.57Å; F33-V81 WeakPolarHBondContact O-CA 3.26Å; F33-V81 WeakPolarHBondContact O-CG1 3.3Å; K34-V81 HydrophobicContact CB-CG2 3.95Å; K34-V81 HydrophobicContact CD-CG2 3.65Å; K34-V81 HydrophobicContact CG-CG2 3.64Å; K74-V81 PolarHBondContact NZ-O 3.43Å; V75-V81 HydrophobicContact CB-CB 4.19Å; V75-V81 HydrophobicContact CB-CG1 3.82Å; V75-V81 HydrophobicContact CG1-CG1 4.16Å; V75-V81 HydrophobicContact CG2-CG1 3.81Å; Q78-V81 HydrophobicContact CB-CB 3.69Å; Q78-V81 HydrophobicContact CB-CG1 4.46Å; Q78-V81 HydrophobicContact CB-CG2 3.7Å; Q78-V81 HydrophobicContact CG-CG2 4.44Å; K79-V81 PolarHBondContact O-N 3.12Å; K79-V81 VanDerWaalsContact O-N 3.12Å
82Y98.2Very high92.6Very high8 Ų869.1 Ų69.13%0.03136%0.36CS..EExtended strand (participates in β ladder)trans-143.4159.6-177.1-68-87.2000109.5E32 F33 L35 Y56 L63 Y67 I72 K74E32-Y82 WeakPolarHBondContact CA-O 3Å; F33-Y82 WeakPolarHBondContact CD1-O 3.47Å; F33-Y82 HydrophobicContact CZ-CG 4.42Å; F33-Y82 PolarHBondContact N-O 3.3Å; F33-Y82 PolarHBondContact O-N 3.1Å; F33-Y82 VanDerWaalsContact O-O 3.05Å; L35-Y82 HydrophobicContact CD1-CD2 3.81Å; L35-Y82 HydrophobicContact CD1-CE2 4.14Å; Y56-Y82 PolarHBondContact OH-OH 3.18Å; L63-Y82 HydrophobicContact CB-CE1 4.23Å; L63-Y82 HydrophobicContact CD1-CD1 4.32Å; L63-Y82 HydrophobicContact CD1-CD2 4.12Å; L63-Y82 HydrophobicContact CD1-CE1 3.99Å; L63-Y82 HydrophobicContact CD1-CE2 3.78Å; L63-Y82 HydrophobicContact CD1-CG 4.39Å; Y67-Y82 HydrophobicContact CE1-CD1 4.49Å; Y67-Y82 HydrophobicContact CE1-CE1 4.2Å; I72-Y82 HydrophobicContact CG2-CD1 4.18Å; I72-Y82 HydrophobicContact CG2-CG 4.4Å; K74-Y82 HydrophobicContact CB-CE1 4.5Å; K74-Y82 HydrophobicContact CD-CD1 4.01Å; K74-Y82 HydrophobicContact CD-CE1 3.56Å
83K97.1Very high91.6Very high71 Ų7172.3 Ų72.331%0.30938%0.376SS..EExtended strand (participates in β ladder)trans-133.9128179.8179.7166.2-177.7169.80110.7D30 G31 E32 I72 K73 V75D30-K83 WeakPolarHBondContact O-CE 3.37Å; D30-K83 IonicContact OD2-NZ 3.79Å; G31-K83 WeakPolarHBondContact O-CA 3.45Å; E32-K83 HydrophobicContact CB-CB 4.35Å; E32-K83 HydrophobicContact CB-CD 4.36Å; E32-K83 HydrophobicContact CB-CG 4.37Å; I72-K83 CarbonylContact C-O 3.52Å; I72-K83 WeakPolarHBondContact CA-O 3.3Å; K73-K83 PolarHBondContact N-O 3.17Å; K73-K83 PolarHBondContact O-N 3.46Å; V75-K83 HydrophobicContact CG2-CB 4.01Å
84F96.7Very high90.7Very high0 Ų072.5 Ų72.50%038%0.381CS..EExtended strand (participates in β ladder)trans-66.1136.5166.5-75-82.4000109W8 L12 L15 W26 G31 F33 I72 F87 I90W8-F84 HydrophobicContact CB-CE1 4.29Å; L12-F84 HydrophobicContact CB-CZ 4.05Å; L12-F84 HydrophobicContact CD1-CE2 4.13Å; L12-F84 HydrophobicContact CD1-CZ 4.19Å; L15-F84 HydrophobicContact CD1-CE2 4.07Å; W26-F84 AromaticContact CH2-CD2 3.85Å; W26-F84 HydrophobicContact CH2-CD2 3.85Å; W26-F84 AromaticContact CH2-CE2 3.91Å; W26-F84 HydrophobicContact CH2-CE2 3.91Å; W26-F84 AromaticContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CD2 3.88Å; W26-F84 HydrophobicContact CZ3-CE2 4.21Å; G31-F84 PolarHBondContact O-N 2.99Å; F33-F84 AromaticContact CD1-CD2 3.65Å; F33-F84 HydrophobicContact CD1-CD2 3.65Å; F33-F84 AromaticContact CD1-CE2 3.66Å; F33-F84 HydrophobicContact CD1-CE2 3.66Å; F33-F84 AromaticContact CE1-CD2 3.54Å; F33-F84 HydrophobicContact CE1-CD2 3.54Å; F33-F84 AromaticContact CE1-CE2 3.4Å; F33-F84 HydrophobicContact CE1-CE2 3.4Å; F33-F84 VanDerWaalsContact CE1-CE2 3.4Å; F33-F84 HydrophobicContact CE1-CG 4.37Å; F33-F84 HydrophobicContact CE1-CZ 4.15Å; F33-F84 HydrophobicContact CZ-CE2 4.16Å; I72-F84 HydrophobicContact CD1-CD1 4.13Å; I72-F84 HydrophobicContact CD1-CE1 3.64Å; I72-F84 HydrophobicContact CD1-CZ 3.97Å; I72-F84 HydrophobicContact CG1-CD1 3.59Å; I72-F84 HydrophobicContact CG1-CE1 3.64Å; I72-F84 HydrophobicContact CG1-CG 4.26Å; I72-F84 HydrophobicContact CG1-CZ 4.32Å; F84-F87 HydrophobicContact CB-CB 4.19Å; F84-I90 HydrophobicContact CD1-CD1 3.83Å; F84-I90 HydrophobicContact CD1-CG2 4.46Å; F84-I90 HydrophobicContact CE1-CD1 4.18Å
85V93Very high89.7Confident58 Ų5872.5 Ų72.535%0.35239%0.388SS..SBendtrans-76.5-54.7-173.4-174.50000110.9N70 I71 K73 F87N70-V85 WeakPolarHBondContact O-CB 3.46Å; N70-V85 WeakPolarHBondContact O-CG2 3.35Å; I71-V85 PolarHBondContact O-N 3.46Å; I71-V85 VanDerWaalsContact O-N 3.16Å; K73-V85 HydrophobicContact CB-CG2 4.3Å; K73-V85 HydrophobicContact CD-CG2 3.79Å; K73-V85 HydrophobicContact CG-CG2 3.7Å; V85-F87 PolarHBondContact O-N 3.28Å
86S87.6Confident88.6Confident50 Ų5074 Ų7435%0.3540%0.403SS..SBendtrans-9869.5179.9-51.90000111.2E89 I90S86-E89 PolarHBondContact O-N 2.96Å; S86-I90 WeakPolarHBondContact O-CB 3.32Å; S86-I90 WeakPolarHBondContact O-CG2 3.47Å; S86-I90 PolarHBondContact O-N 3.11Å
87F87Confident87.7Confident53 Ų5370.9 Ų70.923%0.23239%0.391CS..THydrogen-bonded Turntrans-105.9135.6174.5-168.5-90.5000110.3L12 W26 N29 F84 V85 I90 L91L12-F87 HydrophobicContact CD1-CE2 4.38Å; W26-F87 HydrophobicContact CH2-CD2 4.08Å; W26-F87 AromaticContact CH2-CE2 3.56Å; W26-F87 HydrophobicContact CH2-CE2 3.56Å; W26-F87 HydrophobicContact CH2-CZ 4.09Å; W26-F87 AromaticContact CZ2-CE2 3.9Å; W26-F87 HydrophobicContact CZ2-CE2 3.9Å; W26-F87 HydrophobicContact CZ2-CZ 4.16Å; W26-F87 HydrophobicContact CZ3-CE2 4.23Å; N29-F87 WeakPolarHBondContact O-CD1 3.23Å; N29-F87 WeakPolarHBondContact O-CE1 3.31Å; F84-F87 HydrophobicContact CB-CB 4.19Å; V85-F87 PolarHBondContact O-N 3.28Å; F87-I90 HydrophobicContact CD2-CG2 4.14Å; F87-L91 HydrophobicContact CE2-CD1 3.9Å; F87-L91 HydrophobicContact CE2-CG 4.3Å; F87-L91 HydrophobicContact CZ-CD1 4.09Å
88P83.7Confident86.8Confident85 Ų8567.4 Ų67.455%0.55235%0.352SS*.THydrogen-bonded Turncis-862.36.435.5-37.4000115.1I90 L91P88-I90 VanDerWaalsContact C-N 3.3Å; P88-I90 PolarHBondContact O-N 2.82Å; P88-L91 HydrophobicContact CB-CD1 4.14Å; P88-L91 VanDerWaalsContact O-CB 3.3Å; P88-L91 WeakPolarHBondContact O-CB 3.23Å; P88-L91 PolarHBondContact O-N 2.87Å
89E83.6Confident85.7Confident117 Ų11767.3 Ų67.355%0.54735%0.352SS..G310 helixtrans-53.9-39.6-172.2-174.1170.3-144.400114.4S86 L91 K92 M93S86-E89 PolarHBondContact O-N 2.96Å; E89-L91 PolarHBondContact O-N 2.85Å; E89-K92 WeakPolarHBondContact O-CB 3.21Å; E89-K92 PolarHBondContact O-N 3.24Å; E89-M93 HydrophobicContact CG-CG 4.15Å; E89-M93 HydrophobicContact CG-SD 4.18Å; E89-M93 PolarHBondContact O-N 2.96Å
90I84.3Confident84.2Confident8 Ų864.7 Ų64.74%0.04135%0.353CS..G310 helixtrans-58-15176.8-165.3165.8000114.6W8 L12 I71 F84 S86 F87 P88 K92 V98W8-I90 HydrophobicContact CD2-CD1 4.37Å; W8-I90 HydrophobicContact CE3-CD1 3.79Å; W8-I90 HydrophobicContact CE3-CG1 4.09Å; W8-I90 HydrophobicContact CH2-CD1 4.48Å; W8-I90 HydrophobicContact CH2-CG1 4.13Å; W8-I90 HydrophobicContact CZ3-CD1 3.86Å; W8-I90 HydrophobicContact CZ3-CG1 3.63Å; L12-I90 HydrophobicContact CD2-CG2 4.44Å; I71-I90 HydrophobicContact CG2-CD1 3.82Å; F84-I90 HydrophobicContact CD1-CD1 3.83Å; F84-I90 HydrophobicContact CD1-CG2 4.46Å; F84-I90 HydrophobicContact CE1-CD1 4.18Å; S86-I90 WeakPolarHBondContact O-CB 3.32Å; S86-I90 WeakPolarHBondContact O-CG2 3.47Å; S86-I90 PolarHBondContact O-N 3.11Å; F87-I90 HydrophobicContact CD2-CG2 4.14Å; P88-I90 VanDerWaalsContact C-N 3.3Å; P88-I90 PolarHBondContact O-N 2.82Å; I90-K92 VanDerWaalsContact C-N 3.27Å; I90-V98 HydrophobicContact CD1-CG1 4.14Å; I90-V98 HydrophobicContact CG1-CG2 4.49Å
91L82.8Confident82.2Confident82 Ų8263.1 Ų63.143%0.42936%0.356SS..G310 helixtrans-74.7-14.8170.7-67.7163.8000113.3L12 L16 F87 P88 E89L12-L91 HydrophobicContact CD1-CD2 4.06Å; L12-L91 HydrophobicContact CD2-CD2 3.89Å; L12-L91 HydrophobicContact CG-CD2 4.05Å; L16-L91 HydrophobicContact CD1-CD2 4.01Å; L16-L91 HydrophobicContact CD2-CD2 4.44Å; F87-L91 HydrophobicContact CE2-CD1 3.9Å; F87-L91 HydrophobicContact CE2-CG 4.3Å; F87-L91 HydrophobicContact CZ-CD1 4.09Å; P88-L91 HydrophobicContact CB-CD1 4.14Å; P88-L91 VanDerWaalsContact O-CB 3.3Å; P88-L91 WeakPolarHBondContact O-CB 3.23Å; P88-L91 PolarHBondContact O-N 2.87Å; E89-L91 PolarHBondContact O-N 2.85Å
92K80.1Confident79.8Confident193 Ų19370.5 Ų70.584%0.83939%0.39SS*.THydrogen-bonded Turntrans-113.8-16.3-177.5-59.2-178.2-179.8-179.80113.7E89 I90E89-K92 WeakPolarHBondContact O-CB 3.21Å; E89-K92 PolarHBondContact O-N 3.24Å; I90-K92 VanDerWaalsContact C-N 3.27Å
93M74.6Confident76.9Confident67 Ų6775.7 Ų75.733%0.3343%0.428SS..SBendtrans-75.7148.8-177.9-61.5-17986.200111.8E89 V97 V98E89-M93 HydrophobicContact CG-CG 4.15Å; E89-M93 HydrophobicContact CG-SD 4.18Å; E89-M93 PolarHBondContact O-N 2.96Å; M93-V97 HydrophobicContact CE-CG1 4.34Å; M93-V98 HydrophobicContact CB-CG2 3.63Å; M93-V98 HydrophobicContact CE-CG2 4.31Å; M93-V98 HydrophobicContact CG-CG2 4.43Å; M93-V98 HydrophobicContact SD-CG2 3.98Å
94D77.6Confident74.4Confident96 Ų9676.5 Ų76.551%0.51344%0.442SS..  trans-67132.2172.6-169.5-58.8000111A96 V97 V98D94-A96 PolarHBondContact O-N 2.85Å; D94-A96 VanDerWaalsContact O-N 3.08Å; D94-A96 WeakPolarHBondContact OD1-CB 3.41Å; D94-A96 PolarHBondContact OD1-N 3.17Å; D94-V97 HydrophobicContact CB-CG2 4.15Å; D94-V97 PolarHBondContact O-N 2.77Å; D94-V98 PolarHBondContact O-N 3.08Å
95P77.5Confident71.8Confident68 Ų6885.8 Ų85.844%0.44249%0.485SS..Hα-helixtrans-32.5-44.8165.1-39.541.1000117.5Q9Q9-P95 VanDerWaalsContact NE2-CB 3.31Å
96A74.5Confident69.5Low58 Ų5891.4 Ų91.448%0.47951%0.508SS..Hα-helixtrans-72.3-45.3-175.500000112.1D94 V98 E99 S100D94-A96 PolarHBondContact O-N 2.85Å; D94-A96 VanDerWaalsContact O-N 3.08Å; D94-A96 WeakPolarHBondContact OD1-CB 3.41Å; D94-A96 PolarHBondContact OD1-N 3.17Å; A96-V98 VanDerWaalsContact C-N 3.32Å; A96-V98 PolarHBondContact O-N 3.15Å; A96-E99 PolarHBondContact O-N 3.16Å; A96-E99 VanDerWaalsContact O-N 3.16Å; A96-S100 PolarHBondContact O-N 3.11Å; A96-S100 PolarHBondContact O-OG 2.97Å
97V77.2Confident67.2Low87 Ų8794.6 Ų94.653%0.52753%0.525SS..Hα-helixtrans-62.1-41.1-178178.50000111M93 D94 E99 S100 G101M93-V97 HydrophobicContact CE-CG1 4.34Å; D94-V97 HydrophobicContact CB-CG2 4.15Å; D94-V97 PolarHBondContact O-N 2.77Å; V97-E99 VanDerWaalsContact C-N 3.3Å; V97-E99 PolarHBondContact O-N 3.34Å; V97-S100 PolarHBondContact O-N 3.49Å; V97-G101 PolarHBondContact O-N 3.01Å
98V78.4Confident64.8Low15 Ų1596 Ų969%0.09155%0.554CS.*Hα-helixtrans-65.9-31.2179-179.90000112.2W8 I71 I90 M93 D94 A96W8-V98 HydrophobicContact CD2-CG1 4.36Å; W8-V98 HydrophobicContact CH2-CB 4.23Å; W8-V98 HydrophobicContact CH2-CG1 4.18Å; W8-V98 HydrophobicContact CH2-CG2 4.15Å; W8-V98 HydrophobicContact CZ2-CB 3.62Å; W8-V98 HydrophobicContact CZ2-CG1 3.57Å; W8-V98 HydrophobicContact CZ2-CG2 4.05Å; I71-V98 HydrophobicContact CB-CG1 4.48Å; I71-V98 HydrophobicContact CD1-CG1 3.93Å; I71-V98 VanDerWaalsContact CD1-O 3.3Å; I71-V98 WeakPolarHBondContact CD1-O 3.3Å; I71-V98 HydrophobicContact CG1-CG1 3.87Å; I71-V98 HydrophobicContact CG2-CG1 3.85Å; I90-V98 HydrophobicContact CD1-CG1 4.14Å; I90-V98 HydrophobicContact CG1-CG2 4.49Å; M93-V98 HydrophobicContact CB-CG2 3.63Å; M93-V98 HydrophobicContact CE-CG2 4.31Å; M93-V98 HydrophobicContact CG-CG2 4.43Å; M93-V98 HydrophobicContact SD-CG2 3.98Å; D94-V98 PolarHBondContact O-N 3.08Å; A96-V98 VanDerWaalsContact C-N 3.32Å; A96-V98 PolarHBondContact O-N 3.15Å
99E72.4Confident62.3Low71 Ų7195.9 Ų95.933%0.33257%0.568SS.*Hα-helixtrans-83.1-26.1176.3-81.8-85.78400113.5T6 K69 A96 V97T6-E99 HydrophobicContact CG2-CG 4.2Å; K69-E99 WeakPolarHBondContact CE-O 3.4Å; K69-E99 PolarHBondContact NZ-O 3.33Å; K69-E99 IonicContact NZ-OE1 2.71Å; K69-E99 PolarHBondContact NZ-OE1 3.34Å; K69-E99 IonicContact NZ-OE2 3.94Å; A96-E99 PolarHBondContact O-N 3.16Å; A96-E99 VanDerWaalsContact O-N 3.16Å; V97-E99 VanDerWaalsContact C-N 3.3Å; V97-E99 PolarHBondContact O-N 3.34Å
100S66.7Low60Low105 Ų10596.6 Ų96.673%0.73458%0.581SS**Hα-helixtrans-76.6-27.8-177.9-63.80000114.2A96 V97A96-S100 PolarHBondContact O-N 3.11Å; A96-S100 PolarHBondContact O-OG 2.97Å; V97-S100 PolarHBondContact O-N 3.49Å
101G55Low57.5Low33 Ų33102.3 Ų102.334%0.3462%0.616SS.*  trans91125.5163.100000116.4V97 S103V97-G101 PolarHBondContact O-N 3.01Å; G101-S103 PolarHBondContact O-N 3.35Å
102H49Very low55.3Low156 Ų156103.6 Ų103.672%0.72263%0.632SS**  trans-7497.1162.9-114.3-99000109.6S104H102-S104 PolarHBondContact ND1-OG 3.32Å
103S37.3Very low53.2Low117 Ų117101.4 Ų101.482%0.81863%0.625SS**  trans-80.8121.1154.653.20000108.1G101G101-S103 PolarHBondContact O-N 3.35Å
104S43.8Very low51.8Low87 Ų87103.5 Ų103.561%0.60864%0.643SS**  trans-140.292.8-172.8-63.70000113H102H102-S104 PolarHBondContact ND1-OG 3.32Å
105E42.8Very low50.1Low196 Ų196107.1 Ų107.192%0.91666%0.657SS**  trans-169.6130.1162.6-100171.6177.300105.4
106E43.5Very low48.3Very low176 Ų176108.4 Ų108.482%0.82267%0.673SS**  cis-156177-29-150.6-137.4131.800109.1
107V39.8Very low47Very low117 Ų117115.3 Ų115.371%0.70970%0.696SS**  trans61.797.2167.7-166.70000119.6
108G36.7Very low45.3Very low81 Ų81119.7 Ų119.784%0.83571%0.711SS**  67105.6118.300000121.6
109G31.3Very low43.6Very low83 Ų83125.4 Ų125.486%0.85674%0.736SS**  trans-173.2111.4162.100000113.3
110T35.3Very low42.3Very low133 Ų133127.7 Ų127.782%0.81675%0.751SS**  trans-84.6134.2174.351.80000111.4
111T31.6Very low41.7Very low128 Ų128132.2 Ų132.279%0.78575%0.752SS**  170.7126.311542.60000112.6
112S35.7Very low42Very low108 Ų108136.1 Ų136.176%0.75577%0.769SS**  trans32.4111.2145.561.70000121.5
113E36.8Very low42.7Very low148 Ų148132.9 Ų132.969%0.69276%0.757SS**  -15.2145.3123.2-90.1-73.1114.200115.6E115E113-E115 PolarHBondContact OE2-N 2.83Å
114P45Very low44.6Very low110 Ų110137.9 Ų137.971%0.71476%0.758SS**  -138.1146.168.739.1-24.9000118.1
115E41.4Very low46.5Very low173 Ų173137.5 Ų137.581%0.80875%0.749SS**  trans25.4106.8134.8-58.9-175.4125.500117.8E113E113-E115 PolarHBondContact OE2-N 2.83Å
116A40.1Very low48.6Very low94 Ų94134 Ų13478%0.77773%0.733SS**  trans-145.6108.1154.700000110.3E118A116-E118 PolarHBondContact O-N 3.33Å
117E47.9Very low50.6Low203 Ų203130.9 Ų130.995%0.94971%0.714SS**  trans-78.5102.1173.1-63.8-172.2148.500110.4
118E41.1Very low52.8Low180 Ų180130.5 Ų130.584%0.84170%0.7SS**  trans-132.3136.6169.7-87.7-69.317500110.6A116 D120A116-E118 PolarHBondContact O-N 3.33Å; E118-D120 PolarHBondContact O-N 2.75Å
119E43.4Very low55Low134 Ų134134.1 Ų134.163%0.62670%0.695SS**  trans-77.1114.6-170.5-170.9-170.4145.100111.1R121E119-R121 PolarHBondContact O-N 3.42Å; E119-R121 IonicContact OE1-CZ 3.24Å; E119-R121 VanDerWaalsContact OE1-CZ 3.24Å; E119-R121 IonicContact OE1-NE 3.23Å; E119-R121 PolarHBondContact OE1-NE 2.96Å; E119-R121 IonicContact OE1-NH2 2.84Å; E119-R121 PolarHBondContact OE1-NH2 3.16Å
120D43.1Very low57.7Low120 Ų120132.3 Ų132.364%0.64267%0.669SS**  trans-59.6105-179.6173.530.8000112.5E118 T122 D123E118-D120 PolarHBondContact O-N 2.75Å; D120-T122 PolarHBondContact OD1-N 2.85Å; D120-D123 PolarHBondContact OD1-N 3.46Å
121R56Low60Low199 Ų199134.3 Ų134.375%0.75168%0.675SS**  trans-135.718.1168-66.4-165.3179.4-145.22113.2E119E119-R121 PolarHBondContact O-N 3.42Å; E119-R121 IonicContact OE1-CZ 3.24Å; E119-R121 VanDerWaalsContact OE1-CZ 3.24Å; E119-R121 IonicContact OE1-NE 3.23Å; E119-R121 PolarHBondContact OE1-NE 2.96Å; E119-R121 IonicContact OE1-NH2 2.84Å; E119-R121 PolarHBondContact OE1-NH2 3.16Å
122T59.5Low62.8Low115 Ų115136 Ų13671%0.70668%0.679SS**  trans-121.9-14.8-171.646.50000115.2D120 R124 N125D120-T122 PolarHBondContact OD1-N 2.85Å; T122-R124 PolarHBondContact O-N 3.34Å; T122-R124 VanDerWaalsContact O-N 3.11Å; T122-N125 PolarHBondContact O-N 2.69Å; T122-N125 VanDerWaalsContact O-N 3.09Å
123D64.8Low65.4Low89 Ų89135.2 Ų135.248%0.47666%0.659SS.*G310 helixtrans-57.9-31178.8-157-55000112.7D120 N125 Q126D120-D123 PolarHBondContact OD1-N 3.46Å; D123-N125 PolarHBondContact O-N 2.75Å; D123-Q126 VanDerWaalsContact CG-NE2 3.31Å; D123-Q126 WeakPolarHBondContact O-CB 3.4Å; D123-Q126 PolarHBondContact O-N 3.11Å; D123-Q126 PolarHBondContact OD1-NE2 3.3Å; D123-Q126 PolarHBondContact OD2-NE2 2.81Å
124R77.2Confident68Low221 Ų221132.9 Ų132.983%0.83466%0.659SS**G310 helixtrans-49.4-25.1174.7176.4170.8168.6145.4-1.6114.7T122 Y127T122-R124 PolarHBondContact O-N 3.34Å; T122-R124 VanDerWaalsContact O-N 3.11Å; R124-Y127 VanDerWaalsContact O-CD1 3.32Å; R124-Y127 WeakPolarHBondContact O-CD1 3.11Å; R124-Y127 VanDerWaalsContact O-CE1 3.23Å; R124-Y127 WeakPolarHBondContact O-CE1 3.31Å
125N83.4Confident70.1Confident80 Ų80131.4 Ų131.443%0.42865%0.652SS.*G310 helixtrans-105.53.2178.5-74.4-34.3000114.8T122 D123 Y127 R128T122-N125 PolarHBondContact O-N 2.69Å; T122-N125 VanDerWaalsContact O-N 3.09Å; D123-N125 PolarHBondContact O-N 2.75Å; N125-Y127 PolarHBondContact O-N 2.88Å; N125-Y127 VanDerWaalsContact O-N 3.11Å; N125-R128 VanDerWaalsContact O-CB 3.31Å; N125-R128 WeakPolarHBondContact O-CB 3.32Å; N125-R128 PolarHBondContact O-N 3.42Å
126Q86.1Confident72.4Confident121 Ų121129.5 Ų129.557%0.56564%0.641SS**G310 helixtrans-54.2-34.6-178.8-162.6-173.7104.800112.3D123 R128 H129 S130D123-Q126 VanDerWaalsContact CG-NE2 3.31Å; D123-Q126 WeakPolarHBondContact O-CB 3.4Å; D123-Q126 PolarHBondContact O-N 3.11Å; D123-Q126 PolarHBondContact OD1-NE2 3.3Å; D123-Q126 PolarHBondContact OD2-NE2 2.81Å; Q126-R128 PolarHBondContact O-N 3.11Å; Q126-R128 VanDerWaalsContact O-N 3.15Å; Q126-H129 PolarHBondContact O-N 3.26Å; Q126-S130 PolarHBondContact O-N 3.41Å
127Y87.3Confident74.8Confident112 Ų112129.5 Ų129.544%0.43963%0.632SS.*G310 helixtrans-54.1-33173.677.4-87.8000113.6R124 N125 H129 S130 Y133R124-Y127 VanDerWaalsContact O-CD1 3.32Å; R124-Y127 WeakPolarHBondContact O-CD1 3.11Å; R124-Y127 VanDerWaalsContact O-CE1 3.23Å; R124-Y127 WeakPolarHBondContact O-CE1 3.31Å; N125-Y127 PolarHBondContact O-N 2.88Å; N125-Y127 VanDerWaalsContact O-N 3.11Å; Y127-H129 PolarHBondContact O-N 2.93Å; Y127-S130 WeakPolarHBondContact O-CB 3.3Å; Y127-S130 PolarHBondContact O-N 2.92Å; Y127-S130 PolarHBondContact O-OG 2.99Å; Y127-Y133 AromaticContact CD2-CD2 3.67Å; Y127-Y133 HydrophobicContact CD2-CD2 3.67Å; Y127-Y133 HydrophobicContact CD2-CE2 4.17Å; Y127-Y133 AromaticContact CD2-CG 3.85Å; Y127-Y133 HydrophobicContact CD2-CG 3.85Å; Y127-Y133 HydrophobicContact CE2-CD1 4.35Å; Y127-Y133 AromaticContact CE2-CD2 3.63Å; Y127-Y133 HydrophobicContact CE2-CD2 3.63Å; Y127-Y133 HydrophobicContact CE2-CE1 4.35Å; Y127-Y133 AromaticContact CE2-CE2 3.64Å; Y127-Y133 HydrophobicContact CE2-CE2 3.64Å; Y127-Y133 AromaticContact CE2-CG 4Å; Y127-Y133 HydrophobicContact CE2-CG 4Å; Y127-Y133 AromaticContact CE2-CZ 3.99Å; Y127-Y133 WeakPolarHBondContact O-CB 3.39Å
128R85.1Confident76.5Confident108 Ų108125.8 Ų125.841%0.40862%0.617SS.*G310 helixtrans-69.6-20.6179.9-58.6-17467.576.45.9113.6N125 Q126 Y133N125-R128 VanDerWaalsContact O-CB 3.31Å; N125-R128 WeakPolarHBondContact O-CB 3.32Å; N125-R128 PolarHBondContact O-N 3.42Å; Q126-R128 PolarHBondContact O-N 3.11Å; Q126-R128 VanDerWaalsContact O-N 3.15Å; R128-Y133 HydrophobicContact CB-CD1 4.22Å; R128-Y133 HydrophobicContact CG-CD1 4.26Å; R128-Y133 HydrophobicContact CG-CE1 4.23Å; R128-Y133 VanDerWaalsContact NH1-CE1 3.34Å; R128-Y133 PolarHBondContact NH1-OH 3.09Å
129H83.4Confident78.6Confident158 Ų158120.3 Ų120.373%0.73160%0.599SS**G310 helixtrans-101-8.1178-60-78.7000112Q126 Y127Q126-H129 PolarHBondContact O-N 3.26Å; Y127-H129 PolarHBondContact O-N 2.93Å
130S87.1Confident80.4Confident45 Ų45117.4 Ų117.432%0.31559%0.593SS.*SBendtrans-70.3137163.3810000109.8Q126 Y127 L132 Y133Q126-S130 PolarHBondContact O-N 3.41Å; Y127-S130 WeakPolarHBondContact O-CB 3.3Å; Y127-S130 PolarHBondContact O-N 2.92Å; Y127-S130 PolarHBondContact O-OG 2.99Å; S130-L132 PolarHBondContact O-N 2.68Å; S130-Y133 PolarHBondContact O-N 3.32Å; S130-Y133 VanDerWaalsContact O-N 3.13Å
131N84.1Confident81.9Confident175 Ų175116.4 Ų116.494%0.93659%0.587SS**THydrogen-bonded Turntrans-67.613.2173-70.5-25.3000113.6
132L89.8Confident82.8Confident164 Ų164112.5 Ų112.586%0.85958%0.578SS**THydrogen-bonded Turntrans-98.6-17.5174.8-52.4178.5000112S130S130-L132 PolarHBondContact O-N 2.68Å
133Y91.3Very high82.9Confident90 Ų90113.6 Ų113.635%0.35358%0.575SS.*  trans-95.9112.7175.7-179.1-102.1000111.2Y127 R128 S130Y127-Y133 AromaticContact CD2-CD2 3.67Å; Y127-Y133 HydrophobicContact CD2-CD2 3.67Å; Y127-Y133 HydrophobicContact CD2-CE2 4.17Å; Y127-Y133 AromaticContact CD2-CG 3.85Å; Y127-Y133 HydrophobicContact CD2-CG 3.85Å; Y127-Y133 HydrophobicContact CE2-CD1 4.35Å; Y127-Y133 AromaticContact CE2-CD2 3.63Å; Y127-Y133 HydrophobicContact CE2-CD2 3.63Å; Y127-Y133 HydrophobicContact CE2-CE1 4.35Å; Y127-Y133 AromaticContact CE2-CE2 3.64Å; Y127-Y133 HydrophobicContact CE2-CE2 3.64Å; Y127-Y133 AromaticContact CE2-CG 4Å; Y127-Y133 HydrophobicContact CE2-CG 4Å; Y127-Y133 AromaticContact CE2-CZ 3.99Å; Y127-Y133 WeakPolarHBondContact O-CB 3.39Å; R128-Y133 HydrophobicContact CB-CD1 4.22Å; R128-Y133 HydrophobicContact CG-CD1 4.26Å; R128-Y133 HydrophobicContact CG-CE1 4.23Å; R128-Y133 VanDerWaalsContact NH1-CE1 3.34Å; R128-Y133 PolarHBondContact NH1-OH 3.09Å; S130-Y133 PolarHBondContact O-N 3.32Å; S130-Y133 VanDerWaalsContact O-N 3.13Å
134S90.5Very high82.6Confident99 Ų99112.7 Ų112.769%0.69258%0.579SS**  trans-114.2127.6171-171.50000110
135S90.6Very high81.5Confident80 Ų80108.6 Ų108.656%0.55957%0.573SS**  trans-113.6120.817660.80000110.9
136F89.6Confident80.1Confident133 Ų133112 Ų11258%0.58359%0.587SS**  trans-124157.8175.957.8-93.1000110.8L141F136-L141 HydrophobicContact CD2-CD1 4.16Å; F136-L141 HydrophobicContact CD2-CD2 4.17Å; F136-L141 HydrophobicContact CD2-CG 4.01Å; F136-L141 HydrophobicContact CE2-CD1 3.67Å; F136-L141 HydrophobicContact CE2-CD2 4.27Å; F136-L141 HydrophobicContact CE2-CG 4.04Å; F136-L141 HydrophobicContact CZ-CD1 4.47Å
137T89.7Confident78.4Confident93 Ų93114.2 Ų114.257%0.57160%0.597SS**  trans-90.8151.6168.860.90000110.2S139 S140T137-S139 PolarHBondContact O-N 3.11Å; T137-S140 VanDerWaalsContact O-CB 3.23Å; T137-S140 WeakPolarHBondContact O-CB 3.3Å; T137-S140 PolarHBondContact O-N 2.9Å; T137-S140 PolarHBondContact OG1-N 3.38Å
138I82.9Confident76.6Confident125 Ų125116.9 Ų116.964%0.64161%0.614SS**Hα-helixtrans-59.5-36.6179.2-61173.4000110.9S140 L141 Q142I138-S140 VanDerWaalsContact C-N 3.25Å; I138-S140 PolarHBondContact O-N 2.8Å; I138-L141 WeakPolarHBondContact O-CB 3.46Å; I138-L141 PolarHBondContact O-N 2.79Å; I138-L141 VanDerWaalsContact O-N 3.1Å; I138-Q142 PolarHBondContact O-N 3.18Å
139S86.6Confident74.8Confident66 Ų66122 Ų12246%0.46263%0.633SS.*Hα-helixtrans-60.2-31.6174.5-48.20000113.4T137 L141 Q142 H143T137-S139 PolarHBondContact O-N 3.11Å; S139-L141 VanDerWaalsContact C-N 3.27Å; S139-L141 PolarHBondContact O-N 3.44Å; S139-Q142 PolarHBondContact O-N 3.32Å; S139-Q142 VanDerWaalsContact O-N 3.12Å; S139-H143 PolarHBondContact O-CD2 3.24Å; S139-H143 VanDerWaalsContact O-CD2 3.23Å; S139-H143 PolarHBondContact O-N 3.12Å
140S80.3Confident72.7Confident73 Ų73120.4 Ų120.451%0.5164%0.636SS.*Hα-helixtrans-64.8-31.2176.3-160.90000112.4T137 I138T137-S140 VanDerWaalsContact O-CB 3.23Å; T137-S140 WeakPolarHBondContact O-CB 3.3Å; T137-S140 PolarHBondContact O-N 2.9Å; T137-S140 PolarHBondContact OG1-N 3.38Å; I138-S140 VanDerWaalsContact C-N 3.25Å; I138-S140 PolarHBondContact O-N 2.8Å
141L75.3Confident70.6Confident98 Ų98125.8 Ų125.851%0.51366%0.66SS.*Hα-helixtrans-72.9-31173.4-59-178.3000112.4F136 I138 S139 A144F136-L141 HydrophobicContact CD2-CD1 4.16Å; F136-L141 HydrophobicContact CD2-CD2 4.17Å; F136-L141 HydrophobicContact CD2-CG 4.01Å; F136-L141 HydrophobicContact CE2-CD1 3.67Å; F136-L141 HydrophobicContact CE2-CD2 4.27Å; F136-L141 HydrophobicContact CE2-CG 4.04Å; F136-L141 HydrophobicContact CZ-CD1 4.47Å; I138-L141 WeakPolarHBondContact O-CB 3.46Å; I138-L141 PolarHBondContact O-N 2.79Å; I138-L141 VanDerWaalsContact O-N 3.1Å; S139-L141 VanDerWaalsContact C-N 3.27Å; S139-L141 PolarHBondContact O-N 3.44Å; L141-A144 WeakPolarHBondContact O-CB 3.34Å; L141-A144 PolarHBondContact O-N 3.16Å
142Q74.9Confident68.6Low118 Ų118126.7 Ų126.755%0.55166%0.655SS**Hα-helixtrans-74-35.9-174.8-71163.5-25.800111.8I138 S139 A144 L145I138-Q142 PolarHBondContact O-N 3.18Å; S139-Q142 PolarHBondContact O-N 3.32Å; S139-Q142 VanDerWaalsContact O-N 3.12Å; Q142-A144 PolarHBondContact O-N 3.19Å; Q142-L145 PolarHBondContact O-N 3.24Å
143H60.9Low66.5Low138 Ų138128.3 Ų128.364%0.63966%0.656SS**THydrogen-bonded Turntrans-66.7-17.7172.9-69-63.3000114.4S139 L145S139-H143 PolarHBondContact O-CD2 3.24Å; S139-H143 VanDerWaalsContact O-CD2 3.23Å; S139-H143 PolarHBondContact O-N 3.12Å; H143-L145 VanDerWaalsContact C-N 3.29Å; H143-L145 PolarHBondContact O-N 2.76Å
144A58.1Low63.9Low70 Ų70132.1 Ų132.158%0.57968%0.677SS**THydrogen-bonded Turntrans-71.2-22.6176.800000113.2L141 Q142L141-A144 WeakPolarHBondContact O-CB 3.34Å; L141-A144 PolarHBondContact O-N 3.16Å; Q142-A144 PolarHBondContact O-N 3.19Å
145L54Low61.8Low134 Ų134132.9 Ų132.970%0.70268%0.679SS**THydrogen-bonded Turntrans-81.9-30178.4-68.3173.1000112.9Q142 H143 Q147 Q148Q142-L145 PolarHBondContact O-N 3.24Å; H143-L145 VanDerWaalsContact C-N 3.29Å; H143-L145 PolarHBondContact O-N 2.76Å; L145-Q147 PolarHBondContact O-N 3.45Å; L145-Q147 VanDerWaalsContact O-N 3.16Å; L145-Q148 PolarHBondContact O-N 3.35Å; L145-Q148 VanDerWaalsContact O-N 3.15Å
146E55Low58.8Low153 Ų153140.5 Ų140.572%0.71570%0.696SS**THydrogen-bonded Turntrans-67.6-12.7-178.4-72.9-65.3123.800114.4
147Q50.4Low55.8Low167 Ų167140 Ų14078%0.7871%0.707SS**THydrogen-bonded Turntrans-86.4-4.9174.6-66.3-162.41.300114.2L145 R149L145-Q147 PolarHBondContact O-N 3.45Å; L145-Q147 VanDerWaalsContact O-N 3.16Å; Q147-R149 PolarHBondContact O-N 2.89Å
148Q49.1Very low53Low168 Ų168144.3 Ų144.379%0.78572%0.721SS**  trans-79.458.1170.5-71.1-69.1-81.700112L145L145-Q148 PolarHBondContact O-N 3.35Å; L145-Q148 VanDerWaalsContact O-N 3.15Å
149R48.1Very low50.8Low215 Ų215147.2 Ų147.281%0.81173%0.732SS**  trans-63.5128.8168.2-75.1-175.3175.7175.6-0.8109.4Q147 I151Q147-R149 PolarHBondContact O-N 2.89Å; R149-I151 PolarHBondContact O-N 3.38Å
150P39.3Very low48.4Very low124 Ų124149.1 Ų149.181%0.80575%0.745SS**  trans-66.5121.1178.626.5-33.5000110.1K152P150-K152 PolarHBondContact O-N 2.81Å; P150-K152 VanDerWaalsContact O-N 3.1Å
151I41.5Very low46.6Very low159 Ų159150.8 Ų150.882%0.81576%0.757SS**  trans-63.6113.2177.5-82168.1000109.6R149 K153R149-I151 PolarHBondContact O-N 3.38Å; I151-K153 PolarHBondContact O-N 3.19Å
152K43.8Very low45Very low193 Ų193152 Ų15284%0.83977%0.773SS**  trans-67.5127.9167.4-175.9-178.6172.9-170.60107.9P150 E154P150-K152 PolarHBondContact O-N 2.81Å; P150-K152 VanDerWaalsContact O-N 3.1Å; K152-E154 PolarHBondContact O-N 3.23Å
153K45.6Very low43.4Very low199 Ų199151.8 Ų151.887%0.86578%0.78SS**  trans-77.2114.2-170.3-53.1172.6-172.4176.90111.1I151I151-K153 PolarHBondContact O-N 3.19Å
154E35.2Very low42.9Very low169 Ų169151.9 Ų151.979%0.7978%0.784SS**  trans-150.8136.5158.8-161.5168.1155.400109.3K152K152-E154 PolarHBondContact O-N 3.23Å
155P46.3Very low42.4Very low115 Ų115159.3 Ų159.375%0.74780%0.797SS**  trans-98.4128.2-168.134.9-32.4000114.3
156R29.1Very low41.6Very low241 Ų241161.5 Ų161.591%0.90980%0.801SS**  trans-160152.4151.4-112.1174.8-173.799.4-1.2111.5
157C26.6Very low40.7Very low121 Ų121160.3 Ų160.382%0.81880%0.804SS**  trans-67169175.6-51.30000112.1
158E30.5Very low40.1Very low185 Ų185158.5 Ų158.586%0.86480%0.804SS**  cis-135.7-164.919.1-76.5-174.2139.900113.8
159E37.2Very low39.4Very low186 Ų186158.7 Ų158.787%0.86981%0.811SS**  trans-24.7156.5174.5-69-172.3121.400119.9
160S36.3Very low38.7Very low106 Ų106151.6 Ų151.674%0.74181%0.805SS**  cis-144.315416.847.80000112.9
161S40.5Very low38.4Very low108 Ų108149.1 Ų149.176%0.75580%0.802SS**  trans-99.895.6-175.1470000113.9V163S161-V163 PolarHBondContact O-N 3.05Å
162S42.2Very low38.1Very low123 Ų123150.6 Ų150.686%0.8681%0.805SS**  trans-72.886.7171.3-75.80000112.3
163V42.7Very low37.5Very low114 Ų114147.8 Ų147.869%0.69181%0.81SS**  trans-71.8126.9174177.40000110.9S161 R165S161-V163 PolarHBondContact O-N 3.05Å; V163-R165 PolarHBondContact O-N 2.77Å
164I48.9Very low36.9Very low139 Ų139144.2 Ų144.271%0.71381%0.809SS**  trans-65.5116.4174.3-60.1173.9000109.3F166I164-F166 HydrophobicContact CG2-CD2 4.22Å; I164-F166 HydrophobicContact CG2-CE2 3.79Å; I164-F166 HydrophobicContact CG2-CZ 4.11Å
165R47.1Very low37.1Very low227 Ų227144.2 Ų144.286%0.85781%0.814SS**  trans-91108176.8-61.1-172.9-173.2-169.12.7110.6V163V163-R165 PolarHBondContact O-N 2.77Å
166F37.3Very low37.6Very low179 Ų179144.1 Ų144.179%0.78581%0.813SS**  trans-79.3119.9165.5-69.7-86.1000109.5I164 T168I164-F166 HydrophobicContact CG2-CD2 4.22Å; I164-F166 HydrophobicContact CG2-CE2 3.79Å; I164-F166 HydrophobicContact CG2-CZ 4.11Å; F166-T168 PolarHBondContact O-N 2.84Å
167V36.8Very low38.1Very low129 Ų129138.4 Ų138.478%0.78281%0.808SS**  trans-88.4101.3177.4178.30000109.3
168T39.1Very low38.5Very low128 Ų128139 Ų13979%0.78581%0.808SS**  trans-102.6107.1168.553.50000109.4F166 G170F166-T168 PolarHBondContact O-N 2.84Å; T168-G170 PolarHBondContact O-N 3.02Å
169N33.9Very low39.7Very low172 Ų172135.6 Ų135.692%0.9280%0.802SS**  trans-80.589.9-175.6-142.531.9000110.6
170G32.3Very low40.6Very low67 Ų67132 Ų13269%0.69180%0.795SS**  trans-120.5100.1177.400000111.1T168T168-G170 PolarHBondContact O-N 3.02Å
171G33.2Very low41.5Very low72 Ų72132 Ų13274%0.74279%0.792SS**  trans-95.4114.6-170.900000114.4
172H34.6Very low41Very low190 Ų190131.9 Ų131.988%0.8879%0.791SS**  trans-140121.3161.7-64.3-71.1000109.4
173S32.5Very low40.4Very low134 Ų134131.8 Ų131.894%0.93779%0.785SS**  trans-130.9132.8175.4-70.30000110.7
174S33.6Very low40Very low123 Ų123132.4 Ų132.486%0.8679%0.789SS**  trans-124.9141.3175.1480000111.3
175L39.6Very low39.1Very low169 Ų169132.8 Ų132.889%0.88579%0.793SS**  trans-87.7179.4178.7-62.7170.4000111.1
176P55.1Low38.4Very low113 Ų113126.6 Ų126.673%0.73479%0.785SS**  cis-123.8-160.6-28.531.9-10.6000110.5
177P40.3Very low39.2Very low122 Ų122123.4 Ų123.479%0.79278%0.782SS**  -151.4177.586.739.3-19.4000117
178T36.1Very low39Very low133 Ų133125.5 Ų125.582%0.81679%0.788SS**  trans-134.1-175.8168.529.10000108.2
179P55.4Low38.6Very low114 Ų114124.5 Ų124.574%0.7479%0.787SS**  cis-133.3-134.28.542-18.9000111.1
180P55.3Low38.5Very low111 Ų111121.4 Ų121.472%0.72178%0.779SS**  cis-130.6-148.2-30.343.4-25.1000111.3
181P56.2Low38.6Very low106 Ų106124 Ų12469%0.68878%0.78SS**  cis-128.8-171.7-29.337-18.6000115.1
182S29.1Very low38.4Very low104 Ų104128.2 Ų128.273%0.72779%0.786SS**  trans80.3161.515174.10000120.9
183T30.6Very low38.4Very low121 Ų121124.7 Ų124.774%0.74278%0.782SS**  -167.8150.6-72.824.10000111.1
184T33.2Very low39.8Very low127 Ų127123.6 Ų123.678%0.77977%0.772SS**  trans73149.9167.8-40.70000112.7
185D29.5Very low39.5Very low148 Ų148128.6 Ų128.679%0.79177%0.772SS**  cis-143.1-177.517.8-147.7-19.6000113.4
186S32.7Very low39.5Very low97 Ų97127.9 Ų127.968%0.67877%0.768SS**  trans-118.6-171.4166.5-59.20000109.8
187P54.8Low38.5Very low111 Ų111126.3 Ų126.372%0.72176%0.764SS**  cis-121.2-167.4-21.541.4-27.4000111.2
188N32.1Very low38Very low173 Ų173125.7 Ų125.793%0.92576%0.763SS**  trans-167.3162.5135.5-102.4-41.7000112.5
189S30.6Very low37.9Very low107 Ų107124.1 Ų124.175%0.74876%0.757SS**  trans-136134.3-164.8177.80000114.8
190S33.1Very low36.7Very low108 Ų108126.9 Ų126.976%0.75577%0.765SS**  trans-175.5124.2143.945.50000109.4
191V33.4Very low35.7Very low120 Ų120126.8 Ų126.873%0.72777%0.767SS**  69.311466.5173.20000109.9
192L30Very low35.3Very low162 Ų162127.5 Ų127.585%0.84877%0.772SS**  cis-135.1174.443.6-78.6164.1000115.9
193S34.1Very low35.4Very low115 Ų115127.4 Ų127.480%0.80477%0.771SS**  trans-127.2-149167.3-53.40000111.3
194P61.3Low35.5Very low112 Ų112130.6 Ų130.673%0.72778%0.777SS**  -122.5-174.1-125.638.4-18.7000115.8
195R28.1Very low35.4Very low227 Ų227130.1 Ų130.186%0.85778%0.78SS**  trans-150133.7157.1-94.4144.2-160.7-78.3-1.2108.3
196L38.5Very low36.8Very low155 Ų155129.3 Ų129.381%0.81278%0.782SS**  71.6136.752.3-63.3168.2000112.6
197A33.5Very low36.6Very low79 Ų79129.6 Ų129.665%0.65379%0.79SS**  cis-160.8163-1100000108.4
198S30.6Very low35.8Very low110 Ų110133 Ų13377%0.76980%0.796SS**  174.214094.7-59.40000106.9
199S33.5Very low35.9Very low99 Ų99132.9 Ų132.969%0.69279%0.794SS**  cis78.2103.935.180.20000115.9
200L30.6Very low35.9Very low173 Ų173139 Ų13991%0.90680%0.8SS**  -174.6163.5121-96.7167000112.3
201S33.8Very low35.9Very low109 Ų109138.4 Ų138.476%0.76280%0.803SS**  trans-134.5-164.8-178.9-49.40000107.6
202P49.1Very low35.7Very low121 Ų121144.7 Ų144.779%0.78681%0.813SS**  cis-144.1-179.74.244.3-24.1000118.3
203S30.9Very low35.6Very low101 Ų101139.9 Ų139.971%0.70680%0.803SS**  trans-7.8138.6151.9-168.60000121.7
204Q32.4Very low35.4Very low188 Ų188143.6 Ų143.688%0.87981%0.808SS**  -179.7-179.8110-97.1-174.499.800114.1
205S30.1Very low33.8Very low118 Ų118142.9 Ų142.983%0.82581%0.805SS**  trans-119.5-142.9-168.4-55.40000114.7
206P59.2Low34Very low130 Ų130139.9 Ų139.984%0.84481%0.805SS**  -120.9164-122.738.7-21.2000117.3
207A29.8Very low33.7Very low103 Ų103137.7 Ų137.785%0.85180%0.803SS**  trans-160.1167.8166.600000115.1
208H36.2Very low33.7Very low182 Ų182137.9 Ų137.984%0.84380%0.804SS**  trans-97.6155.2-173.9-60.3-105.7000115.6
209I34.3Very low33.9Very low171 Ų171139.7 Ų139.788%0.87781%0.806SS**  trans-168.6142.3141.7-105158.3000108.9
210R31Very low34.2Very low235 Ų235140.4 Ų140.489%0.88781%0.806SS**  cis120.654.8-14.2-152.3-168.9-175-155.61.8119
211A32.3Very low34.5Very low97 Ų97140 Ų14080%0.80280%0.799SS**  trans-142.7143.6157.400000109.6
212R30Very low34.6Very low251 Ų251141.4 Ų141.495%0.94780%0.798SS**  cis98.6112.19.3-160.1-178-167.3-1734.3116.4
213G27Very low34.2Very low61 Ų61141.4 Ų141.463%0.62980%0.796SS**  trans130.6126.9176.300000109.5
214Q30Very low34.3Very low194 Ų194144.5 Ų144.591%0.90780%0.799SS**  cis69.1132.948.6-70.1-178-35.300113.2
215S27.6Very low34.2Very low97 Ų97140.8 Ų140.868%0.67879%0.793SS**  cis-167.6168.7-6.7-161.40000110.8
216L33.5Very low34.1Very low163 Ų163140.3 Ų140.385%0.85379%0.789SS**  trans66.4157.3166-64.5151.6000115.5
217S32.7Very low32.9Very low109 Ų109138.6 Ų138.676%0.76279%0.786SS**  cis-160.5173.3-11.4450000107
218A33.8Very low33.1Very low83 Ų83142.4 Ų142.469%0.68679%0.787SS**  cis-153.9-176.818.500000112.1
219D33Very low34.1Very low149 Ų149138.8 Ų138.880%0.79778%0.779SS**  trans-10.8156.3164-60.4-113.1000120.8
220T40.8Very low33.8Very low113 Ų113137.7 Ų137.769%0.69377%0.774SS**  cis-126.8-148.67.50.40000109.8
221E37.2Very low33.6Very low165 Ų165132.8 Ų132.877%0.77177%0.765SS**  cis-172.6166.8-15.640-155.183.100105.7
222D35.9Very low33.6Very low139 Ų139135.6 Ų135.674%0.74377%0.766SS**  cis-155.1179.6-48.9-144.8-126.3000106.1
223V40.7Very low33.6Very low121 Ų121129 Ų12973%0.73376%0.758SS**  cis-142.4142.117.1-1720000111.8
224E32.1Very low33.9Very low165 Ų165131.7 Ų131.777%0.77177%0.768SS**  trans-17.4157144.3178166.9-14800119.9
225C30.3Very low34Very low110 Ų110125.7 Ų125.774%0.74376%0.758SS**  cis-146.1172.5-5-139.10000114.8
226S28.7Very low34.3Very low108 Ų108128.7 Ų128.776%0.75576%0.761SS**  trans-67151.2166.8177.50000115.8
227A32.9Very low34.4Very low95 Ų95130.3 Ų130.379%0.78576%0.756SS**  trans-165.415214200000113.8
228Q34.4Very low34.5Very low183 Ų183132.1 Ų132.186%0.85575%0.753SS**  trans-114.9-172.8162.8-57.8-177.5-64.500108.8
229P57.4Low34.5Very low105 Ų105138.3 Ų138.368%0.68276%0.758SS**  -121.7-160.3-68.534-16.2000111.2
230L27.7Very low34.4Very low148 Ų148136.5 Ų136.578%0.77575%0.745SS**  trans107.4131.7156.6-57176.4000119.7
231N27.9Very low34Very low132 Ų132138.9 Ų138.971%0.70675%0.746SS**  trans84.1126135.6-88.7-37.5000123.9
232L31.1Very low33.7Very low156 Ų156138.3 Ų138.382%0.81775%0.747SS**  trans68.6155.9149.3-56.6172.4000119.1
233S29.8Very low33.4Very low112 Ų112142.9 Ų142.978%0.78375%0.754SS**  cis-170.5127-32.6-175.20000111.5
234S34.8Very low32.7Very low118 Ų118143 Ų14383%0.82576%0.759SS**  trans-176.9141.4156-1670000106.4
235G32Very low32.6Very low68 Ų68141.7 Ų141.770%0.70176%0.762SS**  cis119.312422.100000108
236Q33.3Very low32.4Very low161 Ų161147.9 Ų147.975%0.75277%0.77SS**  cis-166.1138.76170.4171.2-86.500111.1
237R36Very low32.5Very low197 Ų197148.7 Ų148.774%0.74377%0.771SS**  trans68.5152.6165.3-70.2169.3-164.9-85.52.9117.9
238E34.1Very low33.9Very low147 Ų147149.6 Ų149.669%0.68777%0.768SS**  cis-143.9176-8-146.2146.9101.600113.9
239R33.4Very low33.6Very low212 Ų212147.9 Ų147.980%0.876%0.76SS**  trans-41.3164.4172-123.3163.6161.7116.5-4.3115.5
240E31.1Very low32.5Very low112 Ų112150.9 Ų150.952%0.52376%0.758SS.*  cis-161.312929.4-176.5137.4141.500113.1
241K32.4Very low32.7Very low162 Ų162154 Ų15470%0.70476%0.759SS**  51.3137.6127.1-171.7-167.8-173.8-170.50119.5
242L31.5Very low32.8Very low153 Ų153151.3 Ų151.380%0.80176%0.763SS**  cis-151.6166.621.8-127.5165000111.5
243R30.5Very low33Very low236 Ų236152.4 Ų152.489%0.89177%0.768SS**  trans-95.2158.3170.9-62.5177.3178.8168.9-1.9111.3
244C24.5Very low33.1Very low123 Ų123150.7 Ų150.783%0.83176%0.761SS**  trans-152.5123152.3-168.90000113.5
245T30.6Very low32.9Very low137 Ų137152.3 Ų152.384%0.8476%0.761SS**  trans-159.4121159.1-44.70000109.6
246R27Very low33Very low240 Ų240154.9 Ų154.991%0.90677%0.768SS**  trans-171.2166.5157.6-109.4171.375.7152.62.6111
247T29.6Very low33Very low126 Ų126154.8 Ų154.877%0.77377%0.772SS**  trans-122-164.6-166.250.30000111.1
248P62Low33.5Very low113 Ų113150.8 Ų150.873%0.73477%0.772SS**  -125.4-150-72.540.4-23.6000112.8
249E29.5Very low33.7Very low147 Ų147150.9 Ų150.969%0.68778%0.776SS**  trans74.1157.7-179.9-75.2-125.814700117.5
250R33Very low33.7Very low168 Ų168150.3 Ų150.363%0.63478%0.78SS**  cis-175.2148.4-29.5172.7167.7178.1-175.72.8112
251R33.6Very low34Very low214 Ų214148.8 Ų148.881%0.80879%0.794SS**  trans70.6143.2166-86.2176.6-68.7-166-1.6118.9
252G28.6Very low34.5Very low75 Ų75152.9 Ų152.977%0.77381%0.805SS**  trans167.3149.9173.400000110.1
253L35.4Very low35.2Very low179 Ų179155 Ų15594%0.93781%0.807SS**  trans-149.3154.5-170.1-160.675.3000113.9
254A32.7Very low36.2Very low76 Ų76149.6 Ų149.663%0.62880%0.803SS**  trans107.4133.4148.200000120.8
255N30.8Very low37.1Very low153 Ų153153.4 Ų153.482%0.81881%0.805SS**  trans57.6111.1147.1-59.3-5.7000122.1
256S33.8Very low37.4Very low122 Ų122150.6 Ų150.685%0.85380%0.804SS**  178.1153103.243.40000114.1
257N34Very low38.5Very low159 Ų159146.5 Ų146.585%0.8580%0.799SS**  trans-94.7154.8162-88.1-30.8000107.5
258P46.2Very low39.2Very low112 Ų112149.6 Ų149.673%0.72781%0.805SS**  -162.4175.265.844.5-22.5000120.6
259L37.6Very low38.5Very low149 Ų149151 Ų15178%0.7881%0.805SS**  trans60.3118.3140.6-75.1164.6000123.7
260K32.8Very low38.6Very low201 Ų201149.4 Ų149.487%0.87481%0.81SS**  67.2106.8118.7-166.3179.6-177.41800119.8
261G37.3Very low39.2Very low79 Ų79145.6 Ų145.681%0.81481%0.814SS**  trans-146.3160.8166.800000113.3
262R43.6Very low39.3Very low249 Ų249141.1 Ų141.194%0.9482%0.816SS**  trans-108.4158.1-177.7-78.7-178.2171.2-178.4-2.4112.8
263K46.6Very low40.8Very low196 Ų196142.9 Ų142.985%0.85281%0.813SS**  trans-58.7140169.7-58.4165.7179.5173.80111.7
264P50.8Low41Very low124 Ų124141.5 Ų141.581%0.80581%0.807SS**  trans-87.9161.515234.5-30.5000111.6
265K44.5Very low41.1Very low202 Ų202145.3 Ų145.388%0.87882%0.815SS**  trans-143.5152.1169.5-77.3179.1173.1-176.70107.7
266G35.6Very low41.6Very low79 Ų79145.5 Ų145.581%0.81482%0.815SS**  trans83.5124.1171.100000113.2
267L50Low41.8Very low153 Ų153145.9 Ų145.980%0.80181%0.813SS**  trans-133.983162.9-166.679.9000106.7I269L267-I269 HydrophobicContact CD2-CD1 4.15Å; L267-I269 HydrophobicContact CD2-CG1 4.36Å; L267-I269 HydrophobicContact CG-CG1 4.31Å
268E44Very low41.8Very low191 Ų191141 Ų14189%0.89380%0.801SS**  trans-65.9137.1164.4-79-83.59900108.3
269I47.8Very low41.6Very low143 Ų143140.8 Ų140.873%0.73380%0.802SS**  trans-125.1121.1174.3-53.8-179.1000108.4L267L267-I269 HydrophobicContact CD2-CD1 4.15Å; L267-I269 HydrophobicContact CD2-CG1 4.36Å; L267-I269 HydrophobicContact CG-CG1 4.31Å
270S32.4Very low41.6Very low113 Ų113140.3 Ų140.379%0.7980%0.8SS**  trans-63.4142.7-179.5-171.20000112.7
271A45.7Very low42Very low88 Ų88137.4 Ų137.473%0.72779%0.793SS**  trans-97.4151.5169.200000111.9
272S35.8Very low42Very low120 Ų120138.4 Ų138.484%0.83978%0.783SS**  trans-154.4155.6160.2-78.30000110.6
273P59.5Low41.9Very low112 Ų112132.6 Ų132.673%0.72778%0.78SS**  trans-119.8-151.4-159.141.3-25.9000112.6
274L40Very low41.9Very low151 Ų151130.6 Ų130.679%0.79178%0.777SS**  trans85.4142.9176.7-48.3-176.2000114.4
275L34.9Very low41.2Very low156 Ų156128.7 Ų128.782%0.81777%0.772SS**  cis-147.2175.1-2.1-127.6174.6000111.5
276L40.3Very low41Very low156 Ų156126.3 Ų126.382%0.81777%0.768SS**  trans-101.3146.5-174.9-179.971.3000111.9
277T38.2Very low40.9Very low131 Ų131130.1 Ų130.180%0.80477%0.77SS**  trans-145.3140.6155.1-1730000110.5
278G34.3Very low40.3Very low57 Ų57128.2 Ų128.259%0.58877%0.769SS**  trans-98.5-163.5166.200000111.2
279S42.6Very low40.6Very low107 Ų107125.5 Ų125.575%0.74877%0.768SS**  cis-154.5-174.73.5-58.20000111.1
280D35.9Very low40Very low138 Ų138123.1 Ų123.174%0.73877%0.77SS**  trans78141.4151.4-74.526.9000119.3
281L42.8Very low40.4Very low140 Ų140125.8 Ų125.873%0.73378%0.775SS**  cis-160.9175.9-17-125.5-175000111.9
282V36.2Very low40.6Very low101 Ų101127.5 Ų127.561%0.61278%0.778SS**  trans47.1105.9162.6-173.50000118.7
283S41.2Very low40.7Very low126 Ų126127.8 Ų127.888%0.88178%0.78SS**  trans-148141.6130.2-80.40000108.7
284I47.1Very low39.6Very low154 Ų154126.1 Ų126.179%0.7978%0.783SS**  trans-125.9159-160.454.6171.4000113.7
285A35.7Very low39.4Very low84 Ų84124.3 Ų124.369%0.69478%0.783SS**  trans79.8106.8161.700000119.8
286L40.1Very low39.6Very low152 Ų152124.8 Ų124.880%0.79679%0.786SS**  54.2104.4125.9-54.1175.9000119.1
287N35.4Very low40.3Very low160 Ų160123.7 Ų123.786%0.85679%0.786SS**  -171.6138.193.3-93.5-49.8000112.3
288S36.8Very low40.8Very low112 Ų112123.5 Ų123.578%0.78379%0.787SS**  trans-123.3155.9169-57.30000108.3
289P48.9Very low41Very low134 Ų134125.3 Ų125.387%0.8780%0.796SS**  -135.114990.436-25.1000113.7
290A36.8Very low41Very low93 Ų93130 Ų13077%0.76980%0.804SS**PPolyproline II helixtrans-92.6153.717300000111.4
291L41.2Very low41.3Very low170 Ų170131.9 Ų131.989%0.8981%0.813SS**PPolyproline II helixtrans-103.9136.8166.1-72.2172.8000110.1
292P49.6Very low41.2Very low123 Ų123131.5 Ų131.580%0.79982%0.817SS**PPolyproline II helixtrans-81.4126.5-176.731.3-33.7000112.3G294P292-G294 PolarHBondContact O-N 3.02Å
293S36.2Very low41.1Very low126 Ų126133.4 Ų133.488%0.88183%0.829SS**  trans-85.590.4168.7-169.80000110.3S295S293-S295 PolarHBondContact O-N 3.41Å
294G36.8Very low40.8Very low77 Ų77136.6 Ų136.679%0.79483%0.829SS**  trans-88.692.5178.700000112.7P292P292-G294 PolarHBondContact O-N 3.02Å
295S36.1Very low40.2Very low113 Ų113135.2 Ų135.279%0.7983%0.829SS**  trans-88109.8172.7-176.70000111.2S293S293-S295 PolarHBondContact O-N 3.41Å
296L40.3Very low40.8Very low167 Ų167136.3 Ų136.387%0.87483%0.829SS**  trans-139.5140.7165.9-76179.1000111.2
297T54.7Low40.7Very low132 Ų132135.1 Ų135.181%0.8183%0.833SS**  trans-77.4142.8178.848.60000112.9
298P47.6Very low40.8Very low127 Ų127131.3 Ų131.383%0.82583%0.832SS**  trans-91.3149.9150.834.4-29.4000111.2
299A38.1Very low41.2Very low96 Ų96134.6 Ų134.679%0.79384%0.839SS**  trans-104.9175.9-177.500000112.9
300F43.5Very low40.9Very low205 Ų205135.4 Ų135.490%0.89984%0.836SS**  trans-54.6135.8172.6-62-97.4000112.6
301L41.9Very low40.9Very low178 Ų178139.1 Ų139.193%0.93284%0.842SS**  trans-136.6152.1153.1-77-179.6000110.1
302T40.1Very low41.2Very low132 Ų132136.6 Ų136.681%0.8183%0.833SS**  trans-130.3134.8-178.2175.50000109.4
303T35.2Very low41.2Very low141 Ų141136.9 Ų136.987%0.86584%0.835SS**  trans-155.8166.9171.125.20000110.9
304Q34.3Very low41.4Very low192 Ų192136.3 Ų136.390%0.89783%0.831SS**  trans-94.1172.2-164.3-62.9175.50.400114.6
305T35.9Very low42.1Very low126 Ų126138.2 Ų138.277%0.77383%0.829SS**  trans-72.4-174.216559.70000111.1
306P47.6Very low42.7Very low107 Ų107140.3 Ų140.370%0.69583%0.831SS**  cis-134.2-177.2-537-17.3000115.5
307S36.7Very low43Very low126 Ų126140 Ų14088%0.88183%0.83SS**  trans67.2119.4151.8-62.10000120.9
308G38.3Very low42.4Very low81 Ų81138.8 Ų138.884%0.83583%0.827SS**  trans-172.1110.8162.500000111.7
309L46.1Very low42.2Very low180 Ų180138.7 Ų138.794%0.94282%0.819SS**  trans-86.3131.2174.6-76.7167.5000110.2
310L41.7Very low42.7Very low152 Ų152141 Ų14180%0.79682%0.817SS**  trans-147.9117.8162.6-150.3157.3000110.2T312L310-T312 HydrophobicContact CD2-CG2 3.86Å
311L36.4Very low43.5Very low171 Ų171138.1 Ų138.190%0.89581%0.805SS**  trans-95.8121.8179.7-134.180.9000109.4
312T47.2Very low43.7Very low116 Ų116138.4 Ų138.471%0.71280%0.8SS**  trans-135.9134.5162.550.40000110.1L310L310-T312 HydrophobicContact CD2-CG2 3.86Å
313P50.8Low44.2Very low129 Ų129143.5 Ų143.584%0.83880%0.804SS**  trans-95.6127.7-178.434.4-31.1000112.3
314S39.6Very low44.3Very low114 Ų114141.3 Ų141.380%0.79780%0.795SS**  trans-132.8125.2162-73.50000109.1
315P51.8Low45.1Very low117 Ų117136 Ų13676%0.7679%0.791SS**  trans-84.9179.9179.835.6-36000112.6
316L48.3Very low45.5Very low157 Ų157137.4 Ų137.482%0.82279%0.793SS**  trans91.5109.6172-54.5170000116.7
317L46.9Very low45.5Very low161 Ų161137.5 Ų137.584%0.84380%0.796SS**  trans55.7111.5146.9-53.7169.4000116.6
318S41.7Very low46.3Very low107 Ų107137.2 Ų137.275%0.74879%0.792SS**  -158.4160.260.5-64.20000112.9I320S318-I320 PolarHBondContact O-N 2.96Å
319N43.8Very low46.9Very low125 Ų125140 Ų14067%0.66879%0.792SS**  trans-73.1108.1-176.3-172.63.9000112.6H321N319-H321 PolarHBondContact ND2-CD2 3.13Å; N319-H321 PolarHBondContact ND2-NE2 3.29Å; N319-H321 PolarHBondContact OD1-CD2 3.36Å; N319-H321 VanDerWaalsContact OD1-CD2 3.29Å; N319-H321 PolarHBondContact OD1-NE2 3.04Å
320I49.8Very low47.2Very low145 Ų145134 Ų13474%0.74477%0.774SS**  trans-116.697.9168.1-57.9177.1000108S318 F322S318-I320 PolarHBondContact O-N 2.96Å; I320-F322 PolarHBondContact O-N 3.29Å
321H58.4Low47.7Very low143 Ų143132.9 Ų132.966%0.66278%0.776SS**  trans-74.393.7171.8-76.8-56000110.6N319 W323N319-H321 PolarHBondContact ND2-CD2 3.13Å; N319-H321 PolarHBondContact ND2-NE2 3.29Å; N319-H321 PolarHBondContact OD1-CD2 3.36Å; N319-H321 VanDerWaalsContact OD1-CD2 3.29Å; N319-H321 PolarHBondContact OD1-NE2 3.04Å; H321-W323 PolarHBondContact O-N 3.37Å
322F47.4Very low48.2Very low184 Ų184132.9 Ų132.981%0.80778%0.776SS**  trans-65.493.5169.5-164.1-87.7000109.4I320 S324I320-F322 PolarHBondContact O-N 3.29Å; F322-S324 PolarHBondContact O-N 3.06Å
323W49.8Very low48.3Very low239 Ų239133.1 Ų133.191%0.90578%0.782SS**  trans-69.3104.2178.5-8484.6000110.4H321 G325H321-W323 PolarHBondContact O-N 3.37Å; W323-G325 PolarHBondContact O-N 3Å
324S38.6Very low48.5Very low96 Ų96132.7 Ų132.767%0.67178%0.779SS**  trans-58.3118.6-179.7-60.60000112.2F322 L326F322-S324 PolarHBondContact O-N 3.06Å; S324-L326 PolarHBondContact O-N 3.25Å
325G49.8Very low48.5Very low79 Ų79131.7 Ų131.781%0.81478%0.778SS**  trans-73.789.3171.300000111.9W323W323-G325 PolarHBondContact O-N 3Å
326L44.2Very low48.2Very low157 Ų157134.4 Ų134.482%0.82278%0.781SS**  trans-130.1108.6163-72.8178.4000109.1S324 P328S324-L326 PolarHBondContact O-N 3.25Å; L326-P328 WeakPolarHBondContact O-CD 3.19Å
327S48.7Very low47.8Very low109 Ų109135.4 Ų135.476%0.76279%0.786SS**  trans-82.4122175.1-172.50000109.8V329S327-V329 PolarHBondContact O-N 3.02Å; S327-V329 VanDerWaalsContact O-N 3.16Å
328P52.7Low47.6Very low120 Ų120135.1 Ų135.178%0.77978%0.78SS**  trans-69.5110.1171.6-1631.2000109.6L326 G330L326-P328 WeakPolarHBondContact O-CD 3.19Å; P328-G330 PolarHBondContact O-N 3.19Å; P328-G330 VanDerWaalsContact O-N 3.15Å
329V51.1Low47.4Very low139 Ų139135 Ų13584%0.84278%0.779SS**  trans-63.3114.6168.7173.50000108.1S327S327-V329 PolarHBondContact O-N 3.02Å; S327-V329 VanDerWaalsContact O-N 3.16Å
330G51.9Low47.2Very low55 Ų55138.1 Ų138.157%0.56779%0.789SS**PPolyproline II helixtrans-64.7138176.500000111.4P328P328-G330 PolarHBondContact O-N 3.19Å; P328-G330 VanDerWaalsContact O-N 3.15Å
331P53Low46.8Very low128 Ų128135.2 Ų135.283%0.83179%0.787SS**PPolyproline II helixtrans-68.1142.3-179.528.1-34.5000111.8
332L46.7Very low46.4Very low171 Ų171137.3 Ų137.390%0.89580%0.797SS**PPolyproline II helixtrans-72.8128.5173.4-66.6163.4000110.3P334L332-P334 WeakPolarHBondContact O-CD 3.43Å
333S49.5Very low46.4Very low121 Ų121135.5 Ų135.585%0.84680%0.795SS**PPolyproline II helixtrans-77.9124.7170-61.60000111.1
334P55.2Low46.1Very low119 Ų119134.6 Ų134.677%0.77380%0.798SS**  trans-89.3-177.7170.637.3-34.7000112.2L332L332-P334 WeakPolarHBondContact O-CD 3.43Å
335A39.2Very low46.3Very low94 Ų94138.2 Ų138.278%0.77780%0.804SS**  trans71.2110.5-171.600000113.7
336Q44.5Very low46.3Very low174 Ų174143.7 Ų143.781%0.81381%0.806SS**  cis75.799.632-162-171.1-3.900114.6
337L40.6Very low46.2Very low177 Ų177141.7 Ų141.793%0.92780%0.803SS**  trans-146.7152.8144-157.269.7000110.1
338Q43.5Very low45.8Very low156 Ų156143.3 Ų143.373%0.72981%0.808SS**  trans-98.6154.3-177.2-74.7166.2-114.600113.2
339S36.6Very low45.3Very low104 Ų104144.3 Ų144.373%0.72781%0.806SS**  trans87159.3138.582.10000121.3
340H39.1Very low45Very low191 Ų191145.5 Ų145.588%0.88480%0.804SS**  trans70.4152168-87.4-87.8000119.3
341A41.5Very low44.4Very low84 Ų84150.2 Ų150.269%0.69482%0.817SS**  trans-138.5159.7-165.300000110.9
342Q50.9Low43.5Very low186 Ų186147.7 Ų147.787%0.86981%0.814SS**  trans68.2168.8174.7-57.3-157-30.100116.6
343L47.6Very low43.1Very low147 Ų147144 Ų14477%0.7781%0.808SS**  trans64.695.2-176-53.7176.3000115
344F44.4Very low43Very low219 Ų219145.7 Ų145.796%0.96181%0.806SS**  -146.8148.6110.2-98.2-67.6000110.6
345Q40.7Very low42.7Very low172 Ų172145.3 Ų145.380%0.80480%0.803SS**  trans-129.9126.1-163.7174.8-178.8-8.500108.8
346F50.3Low43Very low195 Ų195147.9 Ų147.986%0.85580%0.802SS**  trans-75.6136.8177.5-73.4-81.3000111.2
347P43.5Very low43.3Very low115 Ų115145.2 Ų145.275%0.74780%0.8SS**  trans-86.3119.2-18032.3-32.5000111.9
348T38.4Very low44.1Very low142 Ų142142.7 Ų142.787%0.87179%0.794SS**  trans-108.7106.5162.3-55.10000108.3
349L43.6Very low43.8Very low142 Ų142141 Ų14174%0.74380%0.8SS**  trans-89.9122.8177.2-77.4171.2000111.1
350M44.3Very low43.7Very low163 Ų163142.8 Ų142.880%0.80380%0.801SS**  trans56.6147.3134.9-70.6178.961.600120.7
351N38.9Very low44Very low155 Ų155140.5 Ų140.583%0.82980%0.801SS**  cis-167.8153.8-17.5-171.821.5000107.8
352G34.3Very low43.6Very low75 Ų75143.1 Ų143.177%0.77380%0.803SS**  trans166.4115.117300000116.8
353A37.8Very low43.2Very low94 Ų94139.7 Ų139.778%0.77780%0.795SS**  trans-137.6175.1174.800000108.7
354I48.2Very low43.5Very low156 Ų156138 Ų13880%0.879%0.793SS**  cis-162.2174.615.4-148.7156.3000106.1
355P48.4Very low43.1Very low110 Ų110132.7 Ų132.771%0.71478%0.783SS**  cis-130.6-130.91.642.3-21.1000112.6
356I45.4Very low43.9Very low148 Ų148130.3 Ų130.376%0.75978%0.782SS**  trans-132164166.8-29.6177000107
357P50.6Low43.3Very low118 Ų118129.2 Ų129.277%0.76678%0.784SS**  -143.9164.1102.437.4-22.8000114.7
358P57.9Low43.2Very low124 Ų124131 Ų13181%0.80579%0.787SS**  trans-99.5161.5-172.438.6-35.5000114.8
359S37Very low43.4Very low121 Ų121132.6 Ų132.685%0.84679%0.789SS**  trans-122.2117.2162.7610000110.7
360N35.8Very low43Very low141 Ų141131.9 Ų131.975%0.75479%0.791SS**  trans-82.1144176-179.128000111.4
361V43.4Very low42.9Very low144 Ų144129.8 Ų129.887%0.87379%0.792SS**  trans-168.5163.6134.3-93.40000111.6
362D34.9Very low42.8Very low139 Ų139126 Ų12674%0.74378%0.778SS**  trans-83.3164.1-153.8-128.7-69.3000118.7
363T41.8Very low43.8Very low114 Ų114128.6 Ų128.670%0.69978%0.784SS**  trans-59.5-179.515911.70000114.6
364P53.6Low44.4Very low111 Ų111131.3 Ų131.372%0.72178%0.78SS**  cis-136.8-177.7-15.331.7-9.3000116.1
365S35.8Very low44.4Very low108 Ų108133.6 Ų133.676%0.75579%0.785SS**  trans-24.2176.4151.5-48.60000120.2
366P58Low44.4Very low121 Ų121137 Ų13779%0.78681%0.811SS**  cis-131.6-169.5-4037.8-21.3000111.4
367L37.8Very low44.3Very low172 Ų172136.5 Ų136.590%0.90181%0.813SS**  trans-169.2158.8137.1-110.3171.5000114.4
368L41.9Very low44Very low154 Ų154137.4 Ų137.481%0.80682%0.816SS**  trans-86.7151166.4-69.5159.4000110
369L41.2Very low43.2Very low174 Ų174138.2 Ų138.291%0.91182%0.816SS**  trans-162.1139135.3-111.4165.2000112.3
370T36.5Very low43.6Very low127 Ų127139.2 Ų139.278%0.77982%0.815SS**  trans-93.3150165.7172.60000109
371S41.8Very low44Very low119 Ų119139.1 Ų139.183%0.83282%0.819SS**  trans-146.2131.2164.8-170.50000110.5
372S37.7Very low44.1Very low77 Ų77138.7 Ų138.754%0.53882%0.815SS.*  trans-91.2129178.444.20000110.8H374S372-H374 WeakPolarHBondContact CB-NE2 3.45Å; S372-H374 PolarHBondContact O-CD2 3.44Å; S372-H374 VanDerWaalsContact O-CD2 3.28Å; S372-H374 PolarHBondContact OG-NE2 3.28Å
373S53.9Low44.7Very low128 Ų128138.7 Ų138.790%0.89582%0.82SS**  trans-85.6123.4173-167.60000110.3
374H50.2Low45Very low152 Ų152140.6 Ų140.670%0.70483%0.829SS**  trans-116.3110.5178.8-57.5-85.1000110.1S372S372-H374 WeakPolarHBondContact CB-NE2 3.45Å; S372-H374 PolarHBondContact O-CD2 3.44Å; S372-H374 VanDerWaalsContact O-CD2 3.28Å; S372-H374 PolarHBondContact OG-NE2 3.28Å
375K49.2Very low44.2Very low204 Ų204143.1 Ų143.189%0.88784%0.838SS**  trans32119.6138.5177.7-176.2165.6-174.70117.9
376S47Very low45Very low181 Ų181146.3 Ų146.3100%1.26685%0.846SS**  trans-125.90131.4-173.40000109.8

Retrieved 376 of 376 residues in 69.7 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).