A0A5K4FAB6_SCHMA Loading...

mRNA-capping enzyme

Bifunctional mRNA-capping enzyme exhibiting RNA 5'-triphosphate monophosphatase activity in the N-terminal part and mRNA guanylyltransferase activity in the C-terminal part. Catalyzes the first two steps of cap formation: by removing the gamma-phosphate from the 5'-triphosphate end of nascent mRNA to yield a diphosphate end, and by transferring the GMP moiety of GTP to the 5'-diphosphate terminus of RNA via a covalent enzyme-GMP reaction intermediate.

AlphaFold DB , UniProt , Accession A0A5K4FAB6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 688 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
1M34.4Very low56.3Low174 Ų174107.5 Ų107.586%0.85753%0.527SS*.  0137.30-73167.916900106.5
2N38.2Very low58.4Low107 Ų107106.2 Ų106.257%0.57251%0.512SS*.  trans-67.3167.3164.1-112.2-7.5000108.5R4 G5N2-R4 PolarHBondContact O-N 3.34Å; N2-G5 PolarHBondContact O-N 3.31Å
3N36.7Very low60.8Low177 Ų17798.2 Ų98.295%0.94747%0.474SS*.THydrogen-bonded Turntrans-53.33178.7-79.7-3.7000115.8
4R39.4Very low62.5Low218 Ų21895.1 Ų95.182%0.82346%0.46SS*.THydrogen-bonded Turntrans-115.310177.4-59.8-174.9-1771740.9114.6N2 I6N2-R4 PolarHBondContact O-N 3.34Å; R4-I6 HydrophobicContact CB-CD1 4.17Å; R4-I6 HydrophobicContact CB-CG1 4.25Å; R4-I6 PolarHBondContact O-N 2.8Å; R4-I6 VanDerWaalsContact O-N 3.14Å
5G47.4Very low64.2Low43 Ų4394.1 Ų94.144%0.44345%0.453SS..  trans74.6-1.9177.100000116N2N2-G5 PolarHBondContact O-N 3.31Å
6I53.4Low65.8Low81 Ų8188.4 Ų88.442%0.41543%0.426SS..PPolyproline II helixtrans-71.5129.9-175.9-56.1171.6000110.7R4 M8 F41R4-I6 HydrophobicContact CB-CD1 4.17Å; R4-I6 HydrophobicContact CB-CG1 4.25Å; R4-I6 PolarHBondContact O-N 2.8Å; R4-I6 VanDerWaalsContact O-N 3.14Å; I6-M8 PolarHBondContact O-N 3Å; I6-F41 HydrophobicContact CG2-CE1 3.8Å; I6-F41 HydrophobicContact CG2-CE2 4.48Å; I6-F41 HydrophobicContact CG2-CZ 3.57Å
7P61Low67.3Low30 Ų3086.5 Ų86.520%0.19542%0.422CS..PPolyproline II helixtrans-62.9122.1171.5-16.128.7000110.4K37 F38 F41P7-K37 HydrophobicContact CB-CG 4.33Å; P7-K37 HydrophobicContact CG-CB 4.49Å; P7-K37 HydrophobicContact CG-CG 4.09Å; P7-F38 HydrophobicContact CB-CD1 3.81Å; P7-F38 HydrophobicContact CB-CE1 3.49Å; P7-F38 VanDerWaalsContact CB-CE1 3.49Å; P7-F38 HydrophobicContact CB-CZ 4.08Å; P7-F41 HydrophobicContact CB-CE2 4.44Å; P7-F41 HydrophobicContact CG-CE2 4.18Å
8M69.9Low68.8Low91 Ų9186.4 Ų86.445%0.44842%0.416SS..PPolyproline II helixtrans-90.3125.4173.7-72.2-176.871.400110.6I6 R73I6-M8 PolarHBondContact O-N 3Å; M8-R73 PolarHBondContact O-NH1 2.83Å; M8-R73 PolarHBondContact O-NH2 3.02Å
9L77.2Confident70.2Confident55 Ų5583.5 Ų83.529%0.28840%0.403SS..PPolyproline II helixtrans-57.8144.6169.9-68.5171.3000110.7R11 L34 F38 F41 I42L9-R11 PolarHBondContact O-N 3.36Å; L9-L34 HydrophobicContact CD2-CD1 3.6Å; L9-F38 HydrophobicContact CD2-CB 4.07Å; L9-F38 HydrophobicContact CD2-CD1 3.66Å; L9-F38 HydrophobicContact CD2-CE1 4.49Å; L9-F38 HydrophobicContact CD2-CG 4.19Å; L9-F38 HydrophobicContact CG-CD1 4.42Å; L9-F41 HydrophobicContact CD1-CB 3.91Å; L9-F41 HydrophobicContact CG-CB 4.29Å; L9-I42 HydrophobicContact CD1-CG1 4.05Å; L9-I42 HydrophobicContact CD2-CD1 3.64Å; L9-I42 HydrophobicContact CD2-CG1 3.69Å
10P80.2Confident71.3Confident12 Ų1280 Ų808%0.07839%0.389CS..PPolyproline II helixtrans-62.5134.4167.8-0.211.5000109.5W13 L34 F74 T129P10-W13 HydrophobicContact CB-CB 3.93Å; P10-W13 HydrophobicContact CB-CG 4.36Å; P10-W13 HydrophobicContact CG-CB 3.91Å; P10-W13 HydrophobicContact CG-CG 3.87Å; P10-W13 WeakPolarHBondContact O-CB 3.42Å; P10-W13 PolarHBondContact O-N 3.28Å; P10-L34 HydrophobicContact CG-CD2 4.31Å; P10-F74 HydrophobicContact CB-CE1 4.38Å; P10-F74 HydrophobicContact CB-CZ 4.45Å; P10-F74 HydrophobicContact CG-CD1 4.27Å; P10-F74 HydrophobicContact CG-CE1 3.66Å; P10-F74 HydrophobicContact CG-CZ 4.09Å; P10-T129 HydrophobicContact CB-CG2 3.53Å; P10-T129 HydrophobicContact CG-CG2 4.22Å
11R81.3Confident72.3Confident195 Ų19581.5 Ų81.574%0.73640%0.399SS*.THydrogen-bonded Turntrans-54.1142.3175.7-68.6-175.6176.1-168.3-5.2110.7L9 W13 H130 D198L9-R11 PolarHBondContact O-N 3.36Å; R11-W13 PolarHBondContact O-N 2.97Å; R11-W13 VanDerWaalsContact O-N 3.16Å; R11-H130 PolarHBondContact O-NE2 3.46Å; R11-D198 WeakPolarHBondContact CA-OD2 3.33Å; R11-D198 WeakPolarHBondContact CB-OD2 3.36Å
12R82.3Confident75.1Confident91 Ų9174.3 Ų74.334%0.34336%0.363SS..THydrogen-bonded Turntrans58.521177.9-51165.8-178.2-174.8-4.1114.6H130 W194 C195 D198R12-H130 PolarHBondContact O-CD2 3.11Å; R12-W194 HydrophobicContact CB-CE3 4.45Å; R12-C195 VanDerWaalsContact CD-O 3.22Å; R12-C195 WeakPolarHBondContact CD-O 3.34Å; R12-C195 VanDerWaalsContact CZ-O 3.3Å; R12-C195 PolarHBondContact NE-O 2.78Å; R12-D198 WeakPolarHBondContact CG-OD2 3.33Å; R12-D198 PolarHBondContact N-OD2 2.91Å
13W89.3Confident77.6Confident3 Ų369.3 Ų69.31%0.01134%0.337CS..  trans-88.1-31-176.1-177.793.1000113.4P10 R11 C16 K31 T32 L34 I42 F48P10-W13 HydrophobicContact CB-CB 3.93Å; P10-W13 HydrophobicContact CB-CG 4.36Å; P10-W13 HydrophobicContact CG-CB 3.91Å; P10-W13 HydrophobicContact CG-CG 3.87Å; P10-W13 WeakPolarHBondContact O-CB 3.42Å; P10-W13 PolarHBondContact O-N 3.28Å; R11-W13 PolarHBondContact O-N 2.97Å; R11-W13 VanDerWaalsContact O-N 3.16Å; W13-C16 WeakPolarHBondContact O-CB 3.4Å; W13-C16 PolarHBondContact O-N 3.44Å; W13-K31 HydrophobicContact CD2-CD 4.42Å; W13-K31 HydrophobicContact CZ2-CD 4.13Å; W13-K31 HydrophobicContact CZ2-CG 4.4Å; W13-K31 PolarHBondContact O-NZ 3.26Å; W13-T32 VanDerWaalsContact CE2-O 3.27Å; W13-T32 VanDerWaalsContact CZ2-O 3.25Å; W13-T32 WeakPolarHBondContact CZ2-O 3.44Å; W13-T32 PolarHBondContact NE1-O 3.18Å; W13-L34 HydrophobicContact CD2-CD1 3.82Å; W13-L34 HydrophobicContact CD2-CG 4.37Å; W13-L34 HydrophobicContact CE3-CD1 3.72Å; W13-L34 HydrophobicContact CH2-CB 4.37Å; W13-L34 HydrophobicContact CH2-CD1 3.66Å; W13-L34 HydrophobicContact CH2-CG 3.89Å; W13-L34 HydrophobicContact CZ2-CB 4.35Å; W13-L34 HydrophobicContact CZ2-CD1 3.75Å; W13-L34 HydrophobicContact CZ2-CG 3.6Å; W13-L34 HydrophobicContact CZ3-CD1 3.66Å; W13-L34 HydrophobicContact CZ3-CG 4.39Å; W13-I42 HydrophobicContact CH2-CD1 4.43Å; W13-I42 HydrophobicContact CZ3-CD1 3.91Å; W13-F48 HydrophobicContact CH2-CB 3.81Å; W13-F48 HydrophobicContact CZ2-CB 4.03Å; W13-F48 HydrophobicContact CZ2-CD1 4.22Å
14L84.9Confident79.9Confident55 Ų5561.8 Ų61.829%0.28830%0.297SS..SBendtrans-58.4-62.3-170.3-168.170.9000111.1C16 K31 I42 D46L14-C16 VanDerWaalsContact C-N 3.3Å; L14-C16 PolarHBondContact O-N 3.11Å; L14-K31 PolarHBondContact O-NZ 3.01Å; L14-K31 VanDerWaalsContact O-NZ 3.15Å; L14-I42 HydrophobicContact CD1-CB 4.43Å; L14-I42 HydrophobicContact CD1-CG1 4.41Å; L14-I42 HydrophobicContact CD1-CG2 3.74Å; L14-D46 HydrophobicContact CD1-CB 3.56Å; L14-D46 HydrophobicContact CG-CB 4.12Å; L14-D46 WeakPolarHBondContact CG-OD2 3.45Å
15K87.2Confident82.1Confident80 Ų8052.5 Ų52.535%0.34826%0.263SS..SBendtrans-83.71.8-179.5-57.2-51.4-175.4-169.90114.9D46 W194 E197K15-D46 IonicContact NZ-OD1 3.52Å; K15-D46 IonicContact NZ-OD2 2.73Å; K15-D46 PolarHBondContact NZ-OD2 3.17Å; K15-W194 HydrophobicContact CB-CB 3.69Å; K15-W194 WeakPolarHBondContact O-CB 3.16Å; K15-E197 WeakPolarHBondContact CG-OE2 3.11Å
16C90Very high84.3Confident3 Ų351.5 Ų51.52%0.0225%0.247CC..SBendtrans-64.7129.7172.5175.90000110W13 L14 K31 H130 W194W13-C16 WeakPolarHBondContact O-CB 3.4Å; W13-C16 PolarHBondContact O-N 3.44Å; L14-C16 VanDerWaalsContact C-N 3.3Å; L14-C16 PolarHBondContact O-N 3.11Å; C16-K31 HydrophobicContact CB-CD 4.15Å; C16-K31 VanDerWaalsContact O-CD 3.3Å; C16-K31 WeakPolarHBondContact O-CD 3.1Å; C16-K31 WeakPolarHBondContact O-CE 3.2Å; C16-K31 PolarHBondContact O-NZ 3.06Å; C16-H130 PolarHBondContact SG-O 2.77Å; C16-H130 VanDerWaalsContact SG-O 3.36Å; C16-W194 HydrophobicContact CB-CD2 4.11Å; C16-W194 HydrophobicContact CB-CE3 3.8Å; C16-W194 HydrophobicContact CB-CZ3 4.03Å
17P92.1Very high86.3Confident56 Ų5647.7 Ų47.736%0.36423%0.228SC..  trans-55.5142.9179.8-27.234.4000112.5R162P17-R162 PolarHBondContact O-NH1 3.31Å; P17-R162 PolarHBondContact O-NH2 3.17Å
18R94.1Very high88Confident84 Ų8446.3 Ų46.332%0.31722%0.219SC..SBendtrans-64.2-52.5-173.1-65.5177.4-179.3-162-1.7112.9F30 K31 E45 V47 F48R18-F30 WeakPolarHBondContact O-CA 3.47Å; R18-F30 VanDerWaalsContact O-CB 3.29Å; R18-F30 WeakPolarHBondContact O-CB 3.43Å; R18-K31 PolarHBondContact O-N 3.42Å; R18-E45 PolarHBondContact NH2-O 2.9Å; R18-V47 PolarHBondContact NH2-O 2.78Å; R18-F48 HydrophobicContact CB-CD2 4.06Å; R18-F48 HydrophobicContact CB-CE2 3.93Å; R18-F48 HydrophobicContact CB-CZ 4.28Å; R18-F48 HydrophobicContact CG-CD2 3.87Å; R18-F48 HydrophobicContact CG-CE2 4.27Å; R18-F48 HydrophobicContact CG-CG 4.16Å
19M94.1Very high89.3Confident32 Ų3242 Ų4216%0.15820%0.198CC..BIsolated β-bridgetrans-145.8149.7-169.6-175.3164.7-74.900111.3I28 F30 A53 T56 A57 R162M19-I28 HydrophobicContact CE-CG2 4.12Å; M19-I28 HydrophobicContact CG-CG2 3.5Å; M19-I28 VanDerWaalsContact CG-CG2 3.5Å; M19-I28 HydrophobicContact SD-CG2 3.55Å; M19-I28 VanDerWaalsContact SD-CG2 3.55Å; M19-F30 HydrophobicContact CB-CB 4.05Å; M19-F30 HydrophobicContact CE-CB 3.9Å; M19-F30 HydrophobicContact CE-CD1 4.28Å; M19-F30 HydrophobicContact CE-CD2 4.36Å; M19-F30 HydrophobicContact CE-CG 3.96Å; M19-F30 HydrophobicContact CG-CB 4.06Å; M19-A53 HydrophobicContact CE-CB 4.37Å; M19-A53 WeakPolarHBondContact CE-O 3.47Å; M19-T56 HydrophobicContact CB-CG2 3.74Å; M19-T56 HydrophobicContact CG-CG2 4.31Å; M19-T56 HydrophobicContact SD-CG2 3.81Å; M19-A57 HydrophobicContact CE-CB 4.2Å; M19-A57 HydrophobicContact SD-CB 4.01Å; M19-R162 PolarHBondContact O-NH1 3.31Å
20G93.4Very high90.3Very high12 Ų1239.4 Ų39.412%0.12418%0.184CC..  trans-99176.1170.100000111.6P29 A161G20-P29 PolarHBondContact N-O 3.22Å; G20-A161 CarbonylContact C-O 3.5Å; G20-A161 WeakPolarHBondContact CA-O 3.39Å
21D92.9Very high91Very high113 Ų11339 Ų3960%0.60418%0.181SC*.  trans-74.2166.3178.3-67.3-25.9000112.1P29 A161D21-P29 WeakPolarHBondContact O-CD 3.26Å; D21-A161 HydrophobicContact CB-CB 4.27Å; D21-A161 PolarHBondContact N-O 2.63Å
22M92.3Very high91.7Very high22 Ų2229.7 Ų29.711%0.10815%0.146CC..  trans-65.2134.9177.4-176.463.368.800112F27 I28 Y60 K123 V595M22-F27 VanDerWaalsContact SD-O 3.41Å; M22-I28 HydrophobicContact CE-CD1 3.43Å; M22-I28 VanDerWaalsContact CE-CD1 3.43Å; M22-I28 HydrophobicContact CE-CG1 3.46Å; M22-I28 VanDerWaalsContact CE-CG1 3.46Å; M22-I28 HydrophobicContact SD-CD1 4.39Å; M22-I28 HydrophobicContact SD-CG1 3.79Å; M22-Y60 HydrophobicContact CB-CE2 4.22Å; M22-Y60 HydrophobicContact CE-CD1 3.49Å; M22-Y60 VanDerWaalsContact CE-CD1 3.49Å; M22-Y60 HydrophobicContact CE-CD2 3.5Å; M22-Y60 VanDerWaalsContact CE-CD2 3.5Å; M22-Y60 HydrophobicContact CE-CE1 3.85Å; M22-Y60 HydrophobicContact CE-CE2 3.87Å; M22-Y60 HydrophobicContact CE-CG 3.3Å; M22-K123 HydrophobicContact CE-CB 4.04Å; M22-K123 HydrophobicContact CE-CD 3.91Å; M22-K123 HydrophobicContact CE-CG 3.57Å; M22-K123 HydrophobicContact SD-CD 4.22Å; M22-K123 HydrophobicContact SD-CG 4.36Å; M22-V595 HydrophobicContact CB-CG1 4.14Å; M22-V595 HydrophobicContact CG-CG1 3.62Å
23I91.2Very high92.3Very high2 Ų225.5 Ų25.51%0.0113%0.13CC..BIsolated β-bridgetrans-110.9117.3176.8-62.9170.6000109.7D25 I26 F27 P29 I139 L143 I157 F158 A161I23-D25 PolarHBondContact O-N 2.96Å; I23-I26 PolarHBondContact O-N 2.89Å; I23-F27 HydrophobicContact CB-CB 4.21Å; I23-F27 HydrophobicContact CG2-CD2 4.48Å; I23-F27 PolarHBondContact N-O 3.47Å; I23-F27 PolarHBondContact O-N 3.06Å; I23-P29 HydrophobicContact CD1-CG 4.05Å; I23-I139 HydrophobicContact CD1-CD1 4.21Å; I23-I139 HydrophobicContact CD1-CG2 4.05Å; I23-I139 HydrophobicContact CG2-CG2 4.18Å; I23-L143 HydrophobicContact CG2-CD1 4.21Å; I23-L143 HydrophobicContact CG2-CD2 4.45Å; I23-I157 HydrophobicContact CG2-CG2 3.7Å; I23-F158 HydrophobicContact CD1-CD2 3.67Å; I23-F158 HydrophobicContact CD1-CE2 4.3Å; I23-A161 HydrophobicContact CD1-CB 3.87Å; I23-A161 HydrophobicContact CG1-CB 3.38Å
24L84.4Confident92.4Very high20 Ų2025.5 Ų25.511%0.10513%0.13CC..THydrogen-bonded Turntrans48.926.8177.9-58.6-172000115.5I26 L143 L147 Y149 I157L24-I26 HydrophobicContact CB-CD1 4.46Å; L24-I26 PolarHBondContact O-N 2.96Å; L24-L143 HydrophobicContact CD1-CD2 3.45Å; L24-L143 VanDerWaalsContact CD1-CD2 3.45Å; L24-L143 HydrophobicContact CG-CD2 4.25Å; L24-L147 HydrophobicContact CD1-CD1 3.63Å; L24-Y149 HydrophobicContact CD1-CD2 4.23Å; L24-Y149 HydrophobicContact CD1-CE1 4.44Å; L24-Y149 HydrophobicContact CD1-CE2 3.43Å; L24-Y149 VanDerWaalsContact CD1-CE2 3.43Å; L24-Y149 WeakPolarHBondContact CD1-OH 3.41Å; L24-Y149 VanDerWaalsContact CD2-OH 3.31Å; L24-Y149 WeakPolarHBondContact CD2-OH 3.47Å; L24-I157 HydrophobicContact CD2-CD1 4.47Å
25D86.4Confident92.6Very high23 Ų2323.7 Ų23.712%0.12312%0.121CC..THydrogen-bonded Turntrans6321-175.4-155.928.2000114.7I23 K123 T594 V595I23-D25 PolarHBondContact O-N 2.96Å; D25-K123 VanDerWaalsContact O-CD 3.24Å; D25-K123 WeakPolarHBondContact O-CD 3.34Å; D25-K123 WeakPolarHBondContact O-CE 3.46Å; D25-K123 PolarHBondContact O-NZ 3.43Å; D25-K123 WeakPolarHBondContact OD1-CE 3.45Å; D25-K123 IonicContact OD1-NZ 2.99Å; D25-K123 PolarHBondContact OD1-NZ 3.49Å; D25-K123 IonicContact OD2-NZ 3.39Å; D25-K123 PolarHBondContact OD2-NZ 2.92Å; D25-T594 PolarHBondContact OD1-OG1 3.34Å; D25-T594 PolarHBondContact OD2-OG1 3.12Å; D25-V595 HydrophobicContact CB-CG1 4.08Å; D25-V595 HydrophobicContact CB-CG2 4.18Å
26I92Very high92.6Very high22 Ų2225.3 Ų25.311%0.11313%0.134CC..THydrogen-bonded Turntrans-119.5-55.2-177.4-62.4165.4000110.6I23 L24 V111 L115 I124 Y142 L147I23-I26 PolarHBondContact O-N 2.89Å; L24-I26 HydrophobicContact CB-CD1 4.46Å; L24-I26 PolarHBondContact O-N 2.96Å; I26-V111 HydrophobicContact CG2-CG1 4.48Å; I26-L115 HydrophobicContact CD1-CD1 4.23Å; I26-L115 HydrophobicContact CG1-CD1 4.41Å; I26-L115 HydrophobicContact CG2-CD1 4.16Å; I26-L115 HydrophobicContact CG2-CD2 4.24Å; I26-I124 HydrophobicContact CG2-CD1 4.16Å; I26-I124 PolarHBondContact O-N 3.18Å; I26-Y142 HydrophobicContact CD1-CE1 4.48Å; I26-L147 HydrophobicContact CD1-CD1 3.88Å
27F96.3Very high92.2Very high0 Ų028.9 Ų28.90%015%0.149CC..EExtended strand (participates in β ladder)trans-111.2144.8-168-55-75.9000113.8M22 I23 F107 V111 I124 V126 I139 Y142 L143M22-F27 VanDerWaalsContact SD-O 3.41Å; I23-F27 HydrophobicContact CB-CB 4.21Å; I23-F27 HydrophobicContact CG2-CD2 4.48Å; I23-F27 PolarHBondContact N-O 3.47Å; I23-F27 PolarHBondContact O-N 3.06Å; F27-F107 HydrophobicContact CD1-CZ 4.45Å; F27-F107 HydrophobicContact CE1-CE1 4.15Å; F27-F107 AromaticContact CE1-CZ 3.78Å; F27-F107 HydrophobicContact CE1-CZ 3.78Å; F27-F107 HydrophobicContact CZ-CE1 4.22Å; F27-F107 HydrophobicContact CZ-CZ 4.29Å; F27-V111 HydrophobicContact CE1-CG1 4Å; F27-V111 HydrophobicContact CE1-CG2 3.66Å; F27-V111 HydrophobicContact CZ-CG1 3.77Å; F27-V111 HydrophobicContact CZ-CG2 4Å; F27-I124 CarbonylContact C-O 3.56Å; F27-I124 VanDerWaalsContact CA-O 3.29Å; F27-I124 WeakPolarHBondContact CA-O 3.34Å; F27-I124 HydrophobicContact CD1-CB 3.98Å; F27-I124 HydrophobicContact CD1-CG2 4.12Å; F27-I124 HydrophobicContact CE1-CB 4.37Å; F27-I124 HydrophobicContact CE1-CD1 4.19Å; F27-I124 HydrophobicContact CE1-CG2 4.34Å; F27-V126 HydrophobicContact CD1-CG2 3.79Å; F27-V126 HydrophobicContact CE1-CG2 4.41Å; F27-I139 HydrophobicContact CB-CD1 3.91Å; F27-I139 HydrophobicContact CB-CG1 4.27Å; F27-I139 HydrophobicContact CD1-CG1 4.26Å; F27-I139 HydrophobicContact CD2-CG1 4.37Å; F27-I139 HydrophobicContact CD2-CG2 3.88Å; F27-I139 HydrophobicContact CE2-CG2 4.32Å; F27-I139 HydrophobicContact CG-CD1 4.25Å; F27-I139 HydrophobicContact CG-CG1 4.06Å; F27-I139 HydrophobicContact CG-CG2 4.33Å; F27-Y142 AromaticContact CE2-CD1 3.47Å; F27-Y142 HydrophobicContact CE2-CD1 3.47Å; F27-Y142 VanDerWaalsContact CE2-CD1 3.47Å; F27-Y142 AromaticContact CE2-CE1 3.95Å; F27-Y142 HydrophobicContact CE2-CE1 3.95Å; F27-Y142 HydrophobicContact CE2-CG 4.13Å; F27-Y142 AromaticContact CZ-CD1 3.46Å; F27-Y142 HydrophobicContact CZ-CD1 3.46Å; F27-Y142 VanDerWaalsContact CZ-CD1 3.46Å; F27-Y142 HydrophobicContact CZ-CD2 4.35Å; F27-Y142 AromaticContact CZ-CE1 3.89Å; F27-Y142 HydrophobicContact CZ-CE1 3.89Å; F27-Y142 AromaticContact CZ-CG 3.73Å; F27-Y142 HydrophobicContact CZ-CG 3.73Å; F27-L143 HydrophobicContact CE2-CD2 4.48Å
28I96.6Very high91.8Very high2 Ų226.3 Ų26.31%0.0113%0.132CC..EExtended strand (participates in β ladder)trans-123.9112.7165.5-61.3167.2000108.5M19 M22 F30 A57 Y60 L62 K123 I124 G125 V126M19-I28 HydrophobicContact CE-CG2 4.12Å; M19-I28 HydrophobicContact CG-CG2 3.5Å; M19-I28 VanDerWaalsContact CG-CG2 3.5Å; M19-I28 HydrophobicContact SD-CG2 3.55Å; M19-I28 VanDerWaalsContact SD-CG2 3.55Å; M22-I28 HydrophobicContact CE-CD1 3.43Å; M22-I28 VanDerWaalsContact CE-CD1 3.43Å; M22-I28 HydrophobicContact CE-CG1 3.46Å; M22-I28 VanDerWaalsContact CE-CG1 3.46Å; M22-I28 HydrophobicContact SD-CD1 4.39Å; M22-I28 HydrophobicContact SD-CG1 3.79Å; I28-F30 WeakPolarHBondContact O-CD1 3.44Å; I28-A57 HydrophobicContact CD1-CB 4.17Å; I28-Y60 HydrophobicContact CD1-CD2 4.02Å; I28-Y60 HydrophobicContact CD1-CG 4.31Å; I28-L62 HydrophobicContact CD1-CD2 3.79Å; I28-K123 HydrophobicContact CD1-CB 4.27Å; I28-I124 PolarHBondContact N-O 2.96Å; I28-G125 WeakPolarHBondContact O-CA 3.35Å; I28-V126 PolarHBondContact O-N 3.34Å
29P97.5Very high91.3Very high0 Ų024.8 Ų24.80%013%0.13CC..EExtended strand (participates in β ladder)trans-83.1136.5176.332.4-33000111.7G20 D21 I23 V126 T135 I139 F158 R162G20-P29 PolarHBondContact N-O 3.22Å; D21-P29 WeakPolarHBondContact O-CD 3.26Å; I23-P29 HydrophobicContact CD1-CG 4.05Å; P29-V126 WeakPolarHBondContact CA-O 3.29Å; P29-T135 HydrophobicContact CB-CG2 3.62Å; P29-I139 HydrophobicContact CB-CD1 4.21Å; P29-F158 HydrophobicContact CB-CE2 3.91Å; P29-F158 HydrophobicContact CB-CZ 4.5Å; P29-F158 HydrophobicContact CG-CE2 4.13Å; P29-R162 HydrophobicContact CB-CG 4.34Å; P29-R162 HydrophobicContact CG-CB 3.85Å; P29-R162 HydrophobicContact CG-CG 4.11Å
30F97.3Very high90.5Very high1 Ų131.6 Ų31.60%0.00416%0.161CC..EExtended strand (participates in β ladder)trans-152168.3179.164.9-75000113R18 M19 I28 F48 A53 I65 V126 H127 G131R18-F30 WeakPolarHBondContact O-CA 3.47Å; R18-F30 VanDerWaalsContact O-CB 3.29Å; R18-F30 WeakPolarHBondContact O-CB 3.43Å; M19-F30 HydrophobicContact CB-CB 4.05Å; M19-F30 HydrophobicContact CE-CB 3.9Å; M19-F30 HydrophobicContact CE-CD1 4.28Å; M19-F30 HydrophobicContact CE-CD2 4.36Å; M19-F30 HydrophobicContact CE-CG 3.96Å; M19-F30 HydrophobicContact CG-CB 4.06Å; I28-F30 WeakPolarHBondContact O-CD1 3.44Å; F30-F48 HydrophobicContact CD2-CE1 4.09Å; F30-F48 HydrophobicContact CD2-CZ 4.12Å; F30-A53 HydrophobicContact CD2-CB 4.28Å; F30-A53 HydrophobicContact CE2-CB 4.03Å; F30-I65 HydrophobicContact CZ-CD1 4.16Å; F30-I65 HydrophobicContact CZ-CG1 4.34Å; F30-I65 HydrophobicContact CZ-CG2 4.13Å; F30-V126 PolarHBondContact N-O 2.85Å; F30-V126 VanDerWaalsContact N-O 3.12Å; F30-H127 HydrophobicContact CD1-CB 4.2Å; F30-H127 HydrophobicContact CD2-CB 4.12Å; F30-H127 HydrophobicContact CE1-CB 4.1Å; F30-H127 HydrophobicContact CE2-CB 4.04Å; F30-H127 AromaticContact CE2-CD2 3.89Å; F30-H127 HydrophobicContact CG-CB 4.18Å; F30-H127 HydrophobicContact CZ-CB 4.03Å; F30-H127 AromaticContact CZ-CD2 3.6Å; F30-H127 WeakPolarHBondContact O-CA 3.49Å; F30-H127 WeakPolarHBondContact O-CB 3.37Å; F30-G131 WeakPolarHBondContact O-CA 3.5Å
31K95.5Very high89.6Confident3 Ų335.8 Ų35.81%0.01318%0.176CC..PPolyproline II helixtrans-78.2158.3175.875.3-178.8-176.7176.90110.7W13 L14 C16 R18 P33 F48W13-K31 HydrophobicContact CD2-CD 4.42Å; W13-K31 HydrophobicContact CZ2-CD 4.13Å; W13-K31 HydrophobicContact CZ2-CG 4.4Å; W13-K31 PolarHBondContact O-NZ 3.26Å; L14-K31 PolarHBondContact O-NZ 3.01Å; L14-K31 VanDerWaalsContact O-NZ 3.15Å; C16-K31 HydrophobicContact CB-CD 4.15Å; C16-K31 VanDerWaalsContact O-CD 3.3Å; C16-K31 WeakPolarHBondContact O-CD 3.1Å; C16-K31 WeakPolarHBondContact O-CE 3.2Å; C16-K31 PolarHBondContact O-NZ 3.06Å; R18-K31 PolarHBondContact O-N 3.42Å; K31-P33 WeakPolarHBondContact O-CD 3.36Å; K31-F48 HydrophobicContact CG-CD1 3.83Å; K31-F48 HydrophobicContact CG-CE1 3.94Å; K31-F48 WeakPolarHBondContact O-CE1 3.2Å
32T95.2Very high88.9Confident0 Ų031 Ų310%015%0.15CC..PPolyproline II helixtrans-62.4130.2176.5-172.90000110W13 L34 F74 C128 T129W13-T32 VanDerWaalsContact CE2-O 3.27Å; W13-T32 VanDerWaalsContact CZ2-O 3.25Å; W13-T32 WeakPolarHBondContact CZ2-O 3.44Å; W13-T32 PolarHBondContact NE1-O 3.18Å; T32-L34 HydrophobicContact CG2-CD2 4.43Å; T32-F74 HydrophobicContact CG2-CD2 3.95Å; T32-F74 HydrophobicContact CG2-CE2 4.27Å; T32-F74 HydrophobicContact CG2-CG 4.15Å; T32-C128 WeakPolarHBondContact CB-O 3.4Å; T32-C128 PolarHBondContact N-O 3.23Å; T32-T129 WeakPolarHBondContact CG2-O 3.46Å; T32-T129 PolarHBondContact N-O 3.42Å; T32-T129 VanDerWaalsContact N-O 3.17Å
33P95.2Very high88.2Confident3 Ų334.5 Ų34.52%0.01917%0.17CC..PPolyproline II helixtrans-67.7158.6167.226.2-29.6000110.1K31 F48 V50 Y75K31-P33 WeakPolarHBondContact O-CD 3.36Å; P33-F48 VanDerWaalsContact CA-O 3.29Å; P33-F48 WeakPolarHBondContact CA-O 3.38Å; P33-F48 HydrophobicContact CB-CD1 4.15Å; P33-F48 HydrophobicContact CB-CE1 4.19Å; P33-F48 WeakPolarHBondContact CB-O 3.2Å; P33-V50 HydrophobicContact CB-CG2 4.08Å; P33-V50 HydrophobicContact CG-CG2 3.79Å; P33-Y75 HydrophobicContact CG-CD1 3.73Å; P33-Y75 HydrophobicContact CG-CE1 3.68Å; P33-Y75 HydrophobicContact CG-CG 4.2Å; P33-Y75 VanDerWaalsContact O-CD1 3.3Å; P33-Y75 WeakPolarHBondContact O-CD1 3.48Å
34L91Very high87.8Confident2 Ų240 Ų401%0.0121%0.206CC..  trans-121.9136.1176.4-64.2-177.6000108.5L9 P10 W13 T32 F38 I42 F48 H49 F74L9-L34 HydrophobicContact CD2-CD1 3.6Å; P10-L34 HydrophobicContact CG-CD2 4.31Å; W13-L34 HydrophobicContact CD2-CD1 3.82Å; W13-L34 HydrophobicContact CD2-CG 4.37Å; W13-L34 HydrophobicContact CE3-CD1 3.72Å; W13-L34 HydrophobicContact CH2-CB 4.37Å; W13-L34 HydrophobicContact CH2-CD1 3.66Å; W13-L34 HydrophobicContact CH2-CG 3.89Å; W13-L34 HydrophobicContact CZ2-CB 4.35Å; W13-L34 HydrophobicContact CZ2-CD1 3.75Å; W13-L34 HydrophobicContact CZ2-CG 3.6Å; W13-L34 HydrophobicContact CZ3-CD1 3.66Å; W13-L34 HydrophobicContact CZ3-CG 4.39Å; T32-L34 HydrophobicContact CG2-CD2 4.43Å; L34-F38 HydrophobicContact CB-CB 4.12Å; L34-F38 HydrophobicContact CB-CD2 3.67Å; L34-F38 HydrophobicContact CB-CE2 4.31Å; L34-F38 HydrophobicContact CB-CG 4.08Å; L34-F38 HydrophobicContact CD1-CB 4.19Å; L34-F38 HydrophobicContact CD1-CD1 4.41Å; L34-F38 HydrophobicContact CD1-CD2 4.35Å; L34-F38 HydrophobicContact CD1-CG 4.09Å; L34-F38 HydrophobicContact CD2-CD2 4.05Å; L34-F38 HydrophobicContact CD2-CE2 3.88Å; L34-F38 HydrophobicContact CD2-CZ 4.26Å; L34-F38 HydrophobicContact CG-CD2 4.23Å; L34-F38 HydrophobicContact CG-CG 4.46Å; L34-I42 HydrophobicContact CD1-CD1 3.82Å; L34-F48 PolarHBondContact N-O 3.03Å; L34-H49 PolarHBondContact O-CE1 2.94Å; L34-H49 PolarHBondContact O-ND1 3.23Å; L34-F74 CarbonylContact C-O 3.4Å; L34-F74 WeakPolarHBondContact CA-O 3.27Å; L34-F74 HydrophobicContact CD2-CB 3.89Å; L34-F74 HydrophobicContact CD2-CD1 3.58Å; L34-F74 HydrophobicContact CD2-CE1 4.47Å; L34-F74 HydrophobicContact CD2-CG 4.01Å
35D89.4Confident87.9Confident17 Ų1745.9 Ų45.99%0.09123%0.232CC..  trans-77.4173.3176.660.97.2000112.4K37 F38 F74D35-K37 PolarHBondContact O-N 3.29Å; D35-K37 WeakPolarHBondContact OD1-CD 3.48Å; D35-K37 WeakPolarHBondContact OD1-CE 3.22Å; D35-K37 WeakPolarHBondContact OD1-CG 3.42Å; D35-K37 IonicContact OD1-NZ 3.89Å; D35-K37 PolarHBondContact OD1-NZ 3.4Å; D35-K37 IonicContact OD2-NZ 3.11Å; D35-K37 PolarHBondContact OD2-NZ 3.38Å; D35-F38 PolarHBondContact O-N 3.49Å; D35-F38 WeakPolarHBondContact OD1-CD2 3.39Å; D35-F74 VanDerWaalsContact CG-O 3.32Å; D35-F74 PolarHBondContact N-O 3.23Å; D35-F74 VanDerWaalsContact OD1-O 3.13Å
36N87.3Confident87.8Confident115 Ų11545.9 Ų45.962%0.61523%0.233SC*.G310 helixtrans-53.7-20.8-173.6612.7000115.6F38 N39N36-F38 PolarHBondContact O-N 3.42Å; N36-N39 WeakPolarHBondContact CA-OD1 3.46Å; N36-N39 WeakPolarHBondContact O-CB 3.46Å; N36-N39 PolarHBondContact O-N 3.38Å; N36-N39 VanDerWaalsContact O-N 3.15Å
37K83.2Confident87.7Confident78 Ų7845.9 Ų45.934%0.33923%0.233SC..G310 helixtrans-67.3-15.4177.782.6-156.4170.4-1330113.3P7 D35 R73P7-K37 HydrophobicContact CB-CG 4.33Å; P7-K37 HydrophobicContact CG-CB 4.49Å; P7-K37 HydrophobicContact CG-CG 4.09Å; D35-K37 PolarHBondContact O-N 3.29Å; D35-K37 WeakPolarHBondContact OD1-CD 3.48Å; D35-K37 WeakPolarHBondContact OD1-CE 3.22Å; D35-K37 WeakPolarHBondContact OD1-CG 3.42Å; D35-K37 IonicContact OD1-NZ 3.89Å; D35-K37 PolarHBondContact OD1-NZ 3.4Å; D35-K37 IonicContact OD2-NZ 3.11Å; D35-K37 PolarHBondContact OD2-NZ 3.38Å; K37-R73 WeakPolarHBondContact CE-O 3.42Å; K37-R73 PolarHBondContact NZ-O 2.93Å
38F83.1Confident87.6Confident1 Ų145.9 Ų45.90%0.00423%0.233CC..G310 helixtrans-93.4-11.4176-64.6-81.9000113.5P7 L9 L34 D35 N36 H40 F41 I42 R73 F74P7-F38 HydrophobicContact CB-CD1 3.81Å; P7-F38 HydrophobicContact CB-CE1 3.49Å; P7-F38 VanDerWaalsContact CB-CE1 3.49Å; P7-F38 HydrophobicContact CB-CZ 4.08Å; L9-F38 HydrophobicContact CD2-CB 4.07Å; L9-F38 HydrophobicContact CD2-CD1 3.66Å; L9-F38 HydrophobicContact CD2-CE1 4.49Å; L9-F38 HydrophobicContact CD2-CG 4.19Å; L9-F38 HydrophobicContact CG-CD1 4.42Å; L34-F38 HydrophobicContact CB-CB 4.12Å; L34-F38 HydrophobicContact CB-CD2 3.67Å; L34-F38 HydrophobicContact CB-CE2 4.31Å; L34-F38 HydrophobicContact CB-CG 4.08Å; L34-F38 HydrophobicContact CD1-CB 4.19Å; L34-F38 HydrophobicContact CD1-CD1 4.41Å; L34-F38 HydrophobicContact CD1-CD2 4.35Å; L34-F38 HydrophobicContact CD1-CG 4.09Å; L34-F38 HydrophobicContact CD2-CD2 4.05Å; L34-F38 HydrophobicContact CD2-CE2 3.88Å; L34-F38 HydrophobicContact CD2-CZ 4.26Å; L34-F38 HydrophobicContact CG-CD2 4.23Å; L34-F38 HydrophobicContact CG-CG 4.46Å; D35-F38 PolarHBondContact O-N 3.49Å; D35-F38 WeakPolarHBondContact OD1-CD2 3.39Å; N36-F38 PolarHBondContact O-N 3.42Å; F38-H40 PolarHBondContact O-N 3.46Å; F38-H40 VanDerWaalsContact O-N 3.09Å; F38-F41 PolarHBondContact O-N 3.26Å; F38-I42 HydrophobicContact CB-CD1 3.79Å; F38-I42 WeakPolarHBondContact O-CG1 3.3Å; F38-R73 WeakPolarHBondContact CE2-O 3.44Å; F38-F74 WeakPolarHBondContact CE2-O 3.46Å; F38-F74 HydrophobicContact CZ-CD1 4.38Å
39N82.9Confident87.5Confident53 Ų5347.7 Ų47.728%0.28324%0.242SC..G310 helixtrans-61.4-27.9-170.4-6811.1000113.5N36 F41 I42 H49N36-N39 WeakPolarHBondContact CA-OD1 3.46Å; N36-N39 WeakPolarHBondContact O-CB 3.46Å; N36-N39 PolarHBondContact O-N 3.38Å; N36-N39 VanDerWaalsContact O-N 3.15Å; N39-F41 PolarHBondContact O-N 3.13Å; N39-I42 PolarHBondContact O-N 2.85Å; N39-I42 VanDerWaalsContact O-O 3.12Å; N39-H49 PolarHBondContact ND2-CE1 2.95Å; N39-H49 PolarHBondContact ND2-NE2 2.86Å; N39-H49 PolarHBondContact OD1-CE1 3.41Å; N39-H49 PolarHBondContact OD1-NE2 3.3Å
40H76.6Confident87.3Confident174 Ų17447.7 Ų47.781%0.80624%0.242SC*.G310 helixtrans-75.9-6.4-179.9-61.238.9000112.4F38F38-H40 PolarHBondContact O-N 3.46Å; F38-H40 VanDerWaalsContact O-N 3.09Å
41F74.8Confident87.1Confident101 Ų10151.2 Ų51.244%0.44326%0.261SS..G310 helixtrans-114.60.5-179.4-50.8-77.8000113I6 P7 L9 F38 N39I6-F41 HydrophobicContact CG2-CE1 3.8Å; I6-F41 HydrophobicContact CG2-CE2 4.48Å; I6-F41 HydrophobicContact CG2-CZ 3.57Å; P7-F41 HydrophobicContact CB-CE2 4.44Å; P7-F41 HydrophobicContact CG-CE2 4.18Å; L9-F41 HydrophobicContact CD1-CB 3.91Å; L9-F41 HydrophobicContact CG-CB 4.29Å; F38-F41 PolarHBondContact O-N 3.26Å; N39-F41 PolarHBondContact O-N 3.13Å
42I79.4Confident87.1Confident11 Ų1152.8 Ų52.86%0.05627%0.269CS..SBendtrans-129.8131.3-171.7-58.4169.8000107.8L9 W13 L14 L34 F38 N39 D46 V47L9-I42 HydrophobicContact CD1-CG1 4.05Å; L9-I42 HydrophobicContact CD2-CD1 3.64Å; L9-I42 HydrophobicContact CD2-CG1 3.69Å; W13-I42 HydrophobicContact CH2-CD1 4.43Å; W13-I42 HydrophobicContact CZ3-CD1 3.91Å; L14-I42 HydrophobicContact CD1-CB 4.43Å; L14-I42 HydrophobicContact CD1-CG1 4.41Å; L14-I42 HydrophobicContact CD1-CG2 3.74Å; L34-I42 HydrophobicContact CD1-CD1 3.82Å; F38-I42 HydrophobicContact CB-CD1 3.79Å; F38-I42 WeakPolarHBondContact O-CG1 3.3Å; N39-I42 PolarHBondContact O-N 2.85Å; N39-I42 VanDerWaalsContact O-O 3.12Å; I42-D46 HydrophobicContact CG2-CB 3.65Å; I42-V47 HydrophobicContact CB-CG2 4.26Å; I42-V47 HydrophobicContact CG2-CG2 3.88Å
43D77.7Confident87Confident96 Ų9652.8 Ų52.851%0.51327%0.269SS..  trans-62142173.1-69.9-41000110.4E45 D46 V47D43-E45 HydrophobicContact CB-CG 4.17Å; D43-E45 PolarHBondContact O-N 3.3Å; D43-D46 PolarHBondContact O-N 3.09Å; D43-V47 PolarHBondContact O-N 2.77Å
44P82.9Confident87Confident118 Ų11853.9 Ų53.977%0.76627%0.274SS*.THydrogen-bonded Turntrans-51.9-30-173.8-29.635.4000115.2
45E85.7Confident87.1Confident143 Ų14359.7 Ų59.767%0.66830%0.299SS*.THydrogen-bonded Turntrans-72.4-24.3177.158.2-177.8-160.200114.4R18 D43R18-E45 PolarHBondContact NH2-O 2.9Å; D43-E45 HydrophobicContact CB-CG 4.17Å; D43-E45 PolarHBondContact O-N 3.3Å
46D85.1Confident87.3Confident24 Ų2461.8 Ų61.813%0.12831%0.313CS..THydrogen-bonded Turntrans-97.2-6.7-179.8-73-37.8000112.8L14 K15 I42 D43 F48L14-D46 HydrophobicContact CD1-CB 3.56Å; L14-D46 HydrophobicContact CG-CB 4.12Å; L14-D46 WeakPolarHBondContact CG-OD2 3.45Å; K15-D46 IonicContact NZ-OD1 3.52Å; K15-D46 IonicContact NZ-OD2 2.73Å; K15-D46 PolarHBondContact NZ-OD2 3.17Å; I42-D46 HydrophobicContact CG2-CB 3.65Å; D43-D46 PolarHBondContact O-N 3.09Å; D46-F48 PolarHBondContact O-N 3.06Å
47V88.9Confident87.5Confident21 Ų2156.4 Ų56.413%0.12728%0.284CS..  trans-60.4131.8176.8175.90000110.2R18 I42 D43 H49R18-V47 PolarHBondContact NH2-O 2.78Å; I42-V47 HydrophobicContact CB-CG2 4.26Å; I42-V47 HydrophobicContact CG2-CG2 3.88Å; D43-V47 PolarHBondContact O-N 2.77Å; V47-H49 VanDerWaalsContact CG1-CD2 3.45Å; V47-H49 WeakPolarHBondContact CG1-CD2 3.41Å; V47-H49 VanDerWaalsContact CG1-NE2 3.3Å; V47-H49 WeakPolarHBondContact CG1-NE2 3.35Å
48F93.8Very high87.8Confident1 Ų159.5 Ų59.50%0.00430%0.3CS..  trans-141.693.1178.3-177.4-118.2000109.7W13 R18 F30 K31 P33 L34 D46 D52 A53W13-F48 HydrophobicContact CH2-CB 3.81Å; W13-F48 HydrophobicContact CZ2-CB 4.03Å; W13-F48 HydrophobicContact CZ2-CD1 4.22Å; R18-F48 HydrophobicContact CB-CD2 4.06Å; R18-F48 HydrophobicContact CB-CE2 3.93Å; R18-F48 HydrophobicContact CB-CZ 4.28Å; R18-F48 HydrophobicContact CG-CD2 3.87Å; R18-F48 HydrophobicContact CG-CE2 4.27Å; R18-F48 HydrophobicContact CG-CG 4.16Å; F30-F48 HydrophobicContact CD2-CE1 4.09Å; F30-F48 HydrophobicContact CD2-CZ 4.12Å; K31-F48 HydrophobicContact CG-CD1 3.83Å; K31-F48 HydrophobicContact CG-CE1 3.94Å; K31-F48 WeakPolarHBondContact O-CE1 3.2Å; P33-F48 VanDerWaalsContact CA-O 3.29Å; P33-F48 WeakPolarHBondContact CA-O 3.38Å; P33-F48 HydrophobicContact CB-CD1 4.15Å; P33-F48 HydrophobicContact CB-CE1 4.19Å; P33-F48 WeakPolarHBondContact CB-O 3.2Å; L34-F48 PolarHBondContact N-O 3.03Å; D46-F48 PolarHBondContact O-N 3.06Å; F48-D52 HydrophobicContact CD2-CB 3.67Å; F48-D52 HydrophobicContact CE2-CB 4.01Å; F48-A53 HydrophobicContact CE1-CB 4.36Å; F48-A53 HydrophobicContact CE2-CB 4.03Å; F48-A53 HydrophobicContact CZ-CB 3.57Å
49H94.3Very high88.1Confident39 Ų3965.3 Ų65.318%0.18134%0.337CS..  trans-85.1172.4175.5-69.2-47.9000112L34 N39 V47 D51 D52 A53L34-H49 PolarHBondContact O-CE1 2.94Å; L34-H49 PolarHBondContact O-ND1 3.23Å; N39-H49 PolarHBondContact ND2-CE1 2.95Å; N39-H49 PolarHBondContact ND2-NE2 2.86Å; N39-H49 PolarHBondContact OD1-CE1 3.41Å; N39-H49 PolarHBondContact OD1-NE2 3.3Å; V47-H49 VanDerWaalsContact CG1-CD2 3.45Å; V47-H49 WeakPolarHBondContact CG1-CD2 3.41Å; V47-H49 VanDerWaalsContact CG1-NE2 3.3Å; V47-H49 WeakPolarHBondContact CG1-NE2 3.35Å; H49-D51 VanDerWaalsContact C-N 3.3Å; H49-D51 PolarHBondContact O-N 2.91Å; H49-D52 WeakPolarHBondContact CB-OD2 3.47Å; H49-D52 IonicContact CG-OD2 2.62Å; H49-D52 PolarHBondContact N-OD2 2.82Å; H49-D52 WeakPolarHBondContact O-CB 3.31Å; H49-D52 PolarHBondContact O-N 2.9Å; H49-D52 VanDerWaalsContact O-N 3.17Å; H49-A53 PolarHBondContact O-N 2.86Å
50V94.2Very high88.4Confident1 Ų167.1 Ų67.11%0.00634%0.341CS..Hα-helixtrans-57.9-45.4173.8174.70000110.4P33 D52 A53 F54 Y75 E79 V80P33-V50 HydrophobicContact CB-CG2 4.08Å; P33-V50 HydrophobicContact CG-CG2 3.79Å; V50-D52 PolarHBondContact O-N 2.85Å; V50-A53 WeakPolarHBondContact O-CA 3.41Å; V50-A53 VanDerWaalsContact O-CB 3.25Å; V50-A53 WeakPolarHBondContact O-CB 3.27Å; V50-A53 PolarHBondContact O-N 3.28Å; V50-F54 HydrophobicContact CG1-CD2 3.97Å; V50-F54 HydrophobicContact CG1-CE2 3.66Å; V50-F54 WeakPolarHBondContact O-CD2 3.34Å; V50-F54 PolarHBondContact O-N 3.13Å; V50-Y75 HydrophobicContact CG2-CD2 3.52Å; V50-Y75 HydrophobicContact CG2-CE2 4.08Å; V50-Y75 HydrophobicContact CG2-CG 3.84Å; V50-E79 HydrophobicContact CB-CB 3.96Å; V50-E79 HydrophobicContact CG1-CB 4.1Å; V50-E79 HydrophobicContact CG2-CB 3.89Å; V50-V80 HydrophobicContact CG1-CG2 3.7Å; V50-V80 HydrophobicContact CG2-CG2 4.36Å
51D93.8Very high89.1Confident75 Ų7563.7 Ų63.740%0.40132%0.324SS..Hα-helixtrans-58.1-36.1176.8-68.1-14.2000112.8H49 A53 F54 K55 Q83H49-D51 VanDerWaalsContact C-N 3.3Å; H49-D51 PolarHBondContact O-N 2.91Å; D51-A53 VanDerWaalsContact C-N 3.29Å; D51-A53 PolarHBondContact O-N 2.85Å; D51-F54 PolarHBondContact O-N 3.46Å; D51-K55 VanDerWaalsContact O-CG 3.31Å; D51-K55 WeakPolarHBondContact O-CG 3.4Å; D51-K55 PolarHBondContact O-N 3.4Å; D51-Q83 PolarHBondContact OD1-NE2 3.17Å
52D93.8Very high90.1Very high35 Ų3559 Ų5919%0.18730%0.303CS..Hα-helixtrans-68.2-32.2176.3-59-46.5000111.3F48 H49 V50 T56F48-D52 HydrophobicContact CD2-CB 3.67Å; F48-D52 HydrophobicContact CE2-CB 4.01Å; H49-D52 WeakPolarHBondContact CB-OD2 3.47Å; H49-D52 IonicContact CG-OD2 2.62Å; H49-D52 PolarHBondContact N-OD2 2.82Å; H49-D52 WeakPolarHBondContact O-CB 3.31Å; H49-D52 PolarHBondContact O-N 2.9Å; H49-D52 VanDerWaalsContact O-N 3.17Å; V50-D52 PolarHBondContact O-N 2.85Å; D52-T56 VanDerWaalsContact O-CB 3.23Å; D52-T56 WeakPolarHBondContact O-CB 3.43Å; D52-T56 PolarHBondContact O-N 3.42Å; D52-T56 PolarHBondContact O-OG1 3.23Å
53A94.4Very high90.8Very high1 Ų158.6 Ų58.61%0.00830%0.301CS..Hα-helixtrans-64.6-43.9173.600000111.5M19 F30 F48 H49 V50 D51 T56 A57M19-A53 HydrophobicContact CE-CB 4.37Å; M19-A53 WeakPolarHBondContact CE-O 3.47Å; F30-A53 HydrophobicContact CD2-CB 4.28Å; F30-A53 HydrophobicContact CE2-CB 4.03Å; F48-A53 HydrophobicContact CE1-CB 4.36Å; F48-A53 HydrophobicContact CE2-CB 4.03Å; F48-A53 HydrophobicContact CZ-CB 3.57Å; H49-A53 PolarHBondContact O-N 2.86Å; V50-A53 WeakPolarHBondContact O-CA 3.41Å; V50-A53 VanDerWaalsContact O-CB 3.25Å; V50-A53 WeakPolarHBondContact O-CB 3.27Å; V50-A53 PolarHBondContact O-N 3.28Å; D51-A53 VanDerWaalsContact C-N 3.29Å; D51-A53 PolarHBondContact O-N 2.85Å; A53-T56 PolarHBondContact O-N 2.89Å; A53-A57 WeakPolarHBondContact O-CB 3.48Å; A53-A57 PolarHBondContact O-N 3.02Å
54F95Very high91.7Very high26 Ų2654.1 Ų54.111%0.11428%0.278CS..Hα-helixtrans-64.3-44.7175.4-77.3-91.4000112.1V50 D51 T56 A57 E58 L62 I65 V80 Q83 C85V50-F54 HydrophobicContact CG1-CD2 3.97Å; V50-F54 HydrophobicContact CG1-CE2 3.66Å; V50-F54 WeakPolarHBondContact O-CD2 3.34Å; V50-F54 PolarHBondContact O-N 3.13Å; D51-F54 PolarHBondContact O-N 3.46Å; F54-T56 PolarHBondContact O-N 3.05Å; F54-A57 PolarHBondContact O-N 3.43Å; F54-E58 PolarHBondContact O-N 2.75Å; F54-L62 HydrophobicContact CD1-CB 4.14Å; F54-L62 HydrophobicContact CD1-CD1 4.32Å; F54-L62 HydrophobicContact CE1-CB 3.79Å; F54-L62 HydrophobicContact CE1-CD1 4.4Å; F54-L62 HydrophobicContact CZ-CB 4.5Å; F54-I65 HydrophobicContact CE2-CD1 4.01Å; F54-I65 HydrophobicContact CZ-CD1 4.01Å; F54-V80 HydrophobicContact CZ-CG1 4.31Å; F54-Q83 HydrophobicContact CD1-CB 4.03Å; F54-Q83 HydrophobicContact CD2-CB 4.09Å; F54-Q83 HydrophobicContact CD2-CG 3.85Å; F54-Q83 HydrophobicContact CE1-CB 3.63Å; F54-Q83 HydrophobicContact CE1-CG 4.44Å; F54-Q83 HydrophobicContact CE2-CB 3.72Å; F54-Q83 HydrophobicContact CE2-CG 3.79Å; F54-Q83 HydrophobicContact CG-CB 4.25Å; F54-Q83 HydrophobicContact CG-CG 4.24Å; F54-Q83 HydrophobicContact CZ-CB 3.48Å; F54-Q83 VanDerWaalsContact CZ-CB 3.48Å; F54-Q83 HydrophobicContact CZ-CG 4.11Å; F54-C85 HydrophobicContact CE1-CB 3.69Å; F54-C85 HydrophobicContact CZ-CB 3.51Å
55K93.7Very high92.4Very high124 Ų12448.7 Ų48.754%0.53924%0.242SC..Hα-helixtrans-62.2-42.9175.9-70.5169.7-172.3167.30112.4D51 A57 E58D51-K55 VanDerWaalsContact O-CG 3.31Å; D51-K55 WeakPolarHBondContact O-CG 3.4Å; D51-K55 PolarHBondContact O-N 3.4Å; K55-A57 PolarHBondContact O-N 3.2Å; K55-E58 WeakPolarHBondContact O-CB 3.27Å; K55-E58 PolarHBondContact O-N 2.61Å
56T92.9Very high92.9Very high61 Ų6141.9 Ų41.937%0.37421%0.21SC..Hα-helixtrans-67.4-27.3179.4-52.70000111.4M19 D52 A53 F54 E58M19-T56 HydrophobicContact CB-CG2 3.74Å; M19-T56 HydrophobicContact CG-CG2 4.31Å; M19-T56 HydrophobicContact SD-CG2 3.81Å; D52-T56 VanDerWaalsContact O-CB 3.23Å; D52-T56 WeakPolarHBondContact O-CB 3.43Å; D52-T56 PolarHBondContact O-N 3.42Å; D52-T56 PolarHBondContact O-OG1 3.23Å; A53-T56 PolarHBondContact O-N 2.89Å; F54-T56 PolarHBondContact O-N 3.05Å; T56-E58 VanDerWaalsContact C-N 3.31Å
57A92Very high93.5Very high2 Ų240.9 Ų40.92%0.01721%0.205CC..Hα-helixtrans-76.5-13176.800000113.6M19 I28 A53 F54 K55 Y60 L62M19-A57 HydrophobicContact CE-CB 4.2Å; M19-A57 HydrophobicContact SD-CB 4.01Å; I28-A57 HydrophobicContact CD1-CB 4.17Å; A53-A57 WeakPolarHBondContact O-CB 3.48Å; A53-A57 PolarHBondContact O-N 3.02Å; F54-A57 PolarHBondContact O-N 3.43Å; K55-A57 PolarHBondContact O-N 3.2Å; A57-Y60 WeakPolarHBondContact O-CA 3.48Å; A57-Y60 WeakPolarHBondContact O-CB 3.46Å; A57-Y60 WeakPolarHBondContact O-CD2 3.28Å; A57-Y60 PolarHBondContact O-N 3.18Å; A57-L62 HydrophobicContact CB-CD1 3.93Å; A57-L62 HydrophobicContact CB-CD2 4.26Å; A57-L62 HydrophobicContact CB-CG 3.84Å
58E89.7Confident93.8Very high143 Ų14339.9 Ų39.967%0.66820%0.199SC*.THydrogen-bonded Turntrans-58.1139.1177-71-177.5-175.300111.4F54 K55 T56 Y60F54-E58 PolarHBondContact O-N 2.75Å; K55-E58 WeakPolarHBondContact O-CB 3.27Å; K55-E58 PolarHBondContact O-N 2.61Å; T56-E58 VanDerWaalsContact C-N 3.31Å; E58-Y60 VanDerWaalsContact C-N 3.35Å
59P88.7Confident93.7Very high122 Ų12239.9 Ų39.979%0.79220%0.199SC*.THydrogen-bonded Turncis-85.57.412.235.9-37.6000114.8
60Y88.9Confident93.4Very high91 Ų9144 Ų4436%0.35722%0.216SC..SBendtrans-83.1134.1-177.1-46.7-66.3000112M22 I28 A57 E58M22-Y60 HydrophobicContact CB-CE2 4.22Å; M22-Y60 HydrophobicContact CE-CD1 3.49Å; M22-Y60 VanDerWaalsContact CE-CD1 3.49Å; M22-Y60 HydrophobicContact CE-CD2 3.5Å; M22-Y60 VanDerWaalsContact CE-CD2 3.5Å; M22-Y60 HydrophobicContact CE-CE1 3.85Å; M22-Y60 HydrophobicContact CE-CE2 3.87Å; M22-Y60 HydrophobicContact CE-CG 3.3Å; I28-Y60 HydrophobicContact CD1-CD2 4.02Å; I28-Y60 HydrophobicContact CD1-CG 4.31Å; A57-Y60 WeakPolarHBondContact O-CA 3.48Å; A57-Y60 WeakPolarHBondContact O-CB 3.46Å; A57-Y60 WeakPolarHBondContact O-CD2 3.28Å; A57-Y60 PolarHBondContact O-N 3.18Å; E58-Y60 VanDerWaalsContact C-N 3.35Å
61K92Very high92.9Very high103 Ų10345.4 Ų45.445%0.44823%0.226SC..EExtended strand (participates in β ladder)trans-85.8114.3173-172.9177.8-178.9-1710109.8G63 D84 Q122 K123K61-G63 PolarHBondContact O-N 3.46Å; K61-D84 IonicContact NZ-OD2 3.74Å; K61-D84 PolarHBondContact NZ-OD2 3.38Å; K61-Q122 HydrophobicContact CD-CG 4.2Å; K61-Q122 HydrophobicContact CG-CG 4.37Å; K61-Q122 CarbonylContact O-C 3.57Å; K61-Q122 VanDerWaalsContact O-CA 3.27Å; K61-Q122 WeakPolarHBondContact O-CA 3.3Å; K61-K123 PolarHBondContact O-N 2.89Å
62L94.5Very high92.6Very high2 Ų251.1 Ų51.11%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-70.2123.9168.6-64.1177.1000109.5I28 F54 A57 I65 K123I28-L62 HydrophobicContact CD1-CD2 3.79Å; F54-L62 HydrophobicContact CD1-CB 4.14Å; F54-L62 HydrophobicContact CD1-CD1 4.32Å; F54-L62 HydrophobicContact CE1-CB 3.79Å; F54-L62 HydrophobicContact CE1-CD1 4.4Å; F54-L62 HydrophobicContact CZ-CB 4.5Å; A57-L62 HydrophobicContact CB-CD1 3.93Å; A57-L62 HydrophobicContact CB-CD2 4.26Å; A57-L62 HydrophobicContact CB-CG 3.84Å; L62-I65 HydrophobicContact CD1-CD1 4.32Å; L62-K123 WeakPolarHBondContact CA-O 3.29Å; L62-K123 HydrophobicContact CD2-CB 4.47Å
63G94.6Very high92.2Very high2 Ų253.8 Ų53.82%0.02125%0.25CC..EExtended strand (participates in β ladder)trans-112.1-14.3174.900000114.2K61 K86 F114 K123K61-G63 PolarHBondContact O-N 3.46Å; G63-K86 PolarHBondContact O-N 3.39Å; G63-F114 VanDerWaalsContact C-CE2 3.46Å; G63-F114 WeakPolarHBondContact O-CE2 3.38Å; G63-K123 PolarHBondContact N-O 3.49Å
64L96.5Very high91.9Very high3 Ų354.2 Ų54.22%0.01625%0.251CS..EExtended strand (participates in β ladder)trans-143.5134.4172.6171.664000110I66 C85 K86 L88 I110 F114 K123 I124 G125L64-I66 HydrophobicContact CD1-CG1 4.4Å; L64-I66 HydrophobicContact CD2-CD1 4.06Å; L64-I66 HydrophobicContact CD2-CG1 4.01Å; L64-I66 HydrophobicContact CG-CG1 3.99Å; L64-C85 PolarHBondContact N-SG 3.23Å; L64-C85 VanDerWaalsContact N-SG 3.43Å; L64-K86 CarbonylContact C-O 3.52Å; L64-K86 WeakPolarHBondContact CA-O 3.35Å; L64-K86 HydrophobicContact CD1-CB 3.79Å; L64-L88 HydrophobicContact CD1-CB 4.33Å; L64-L88 HydrophobicContact CD1-CD1 3.95Å; L64-L88 HydrophobicContact CD1-CG 4.1Å; L64-I110 HydrophobicContact CD2-CG2 3.79Å; L64-F114 HydrophobicContact CB-CD1 4.48Å; L64-F114 HydrophobicContact CB-CD2 3.53Å; L64-F114 HydrophobicContact CB-CE1 4.43Å; L64-F114 HydrophobicContact CB-CE2 3.48Å; L64-F114 VanDerWaalsContact CB-CE2 3.48Å; L64-F114 HydrophobicContact CB-CG 4.05Å; L64-F114 HydrophobicContact CB-CZ 3.96Å; L64-F114 HydrophobicContact CD2-CB 3.8Å; L64-F114 HydrophobicContact CD2-CD2 3.89Å; L64-F114 HydrophobicContact CD2-CG 3.82Å; L64-F114 HydrophobicContact CG-CD2 4.29Å; L64-K123 PolarHBondContact N-O 2.93Å; L64-I124 HydrophobicContact CB-CG1 4.39Å; L64-I124 HydrophobicContact CB-CG2 4.43Å; L64-I124 HydrophobicContact CD2-CD1 4.36Å; L64-I124 HydrophobicContact CD2-CG1 4.37Å; L64-I124 HydrophobicContact CD2-CG2 4.11Å; L64-I124 HydrophobicContact CG-CG2 4.2Å; L64-I124 CarbonylContact O-C 3.54Å; L64-I124 WeakPolarHBondContact O-CA 3.22Å; L64-G125 PolarHBondContact O-N 3.15Å
65I97.3Very high91.7Very high3 Ų353.7 Ų53.72%0.01525%0.249CC..EExtended strand (participates in β ladder)trans-112.7125.9166.3-69.5178.2000109.6F30 F54 L62 V80 K86 Y87 L88 G125F30-I65 HydrophobicContact CZ-CD1 4.16Å; F30-I65 HydrophobicContact CZ-CG1 4.34Å; F30-I65 HydrophobicContact CZ-CG2 4.13Å; F54-I65 HydrophobicContact CE2-CD1 4.01Å; F54-I65 HydrophobicContact CZ-CD1 4.01Å; L62-I65 HydrophobicContact CD1-CD1 4.32Å; I65-V80 HydrophobicContact CB-CG1 4.16Å; I65-V80 HydrophobicContact CD1-CG1 3.81Å; I65-V80 HydrophobicContact CD1-CG2 3.95Å; I65-V80 HydrophobicContact CG1-CG1 4.24Å; I65-K86 PolarHBondContact N-O 3.45Å; I65-Y87 HydrophobicContact CG2-CD2 4.35Å; I65-L88 PolarHBondContact O-N 3.06Å; I65-G125 CarbonylContact C-O 3.51Å; I65-G125 VanDerWaalsContact CA-O 3.31Å; I65-G125 WeakPolarHBondContact CA-O 3.42Å
66I97.5Very high91.6Very high0 Ų051.3 Ų51.30%024%0.242CC..EExtended strand (participates in β ladder)trans-105.8112.2174.5-54.9176.6000109.4L64 L68 L88 I90 F107 I110 V111 I124 G125 V126 H127L64-I66 HydrophobicContact CD1-CG1 4.4Å; L64-I66 HydrophobicContact CD2-CD1 4.06Å; L64-I66 HydrophobicContact CD2-CG1 4.01Å; L64-I66 HydrophobicContact CG-CG1 3.99Å; I66-L68 HydrophobicContact CG2-CD2 3.86Å; I66-L88 CarbonylContact C-O 3.55Å; I66-L88 WeakPolarHBondContact CA-O 3.47Å; I66-I90 HydrophobicContact CG2-CD1 3.96Å; I66-I90 HydrophobicContact CG2-CG1 4.21Å; I66-F107 HydrophobicContact CB-CE2 4.42Å; I66-F107 HydrophobicContact CD1-CD2 3.89Å; I66-F107 HydrophobicContact CD1-CE2 3.55Å; I66-F107 HydrophobicContact CD1-CZ 4.35Å; I66-F107 HydrophobicContact CG2-CD2 4.05Å; I66-F107 HydrophobicContact CG2-CE2 4.12Å; I66-I110 HydrophobicContact CD1-CG2 3.87Å; I66-I110 HydrophobicContact CG1-CG2 4.36Å; I66-V111 HydrophobicContact CD1-CG2 4.05Å; I66-I124 HydrophobicContact CD1-CG2 3.78Å; I66-I124 HydrophobicContact CG1-CG2 4.06Å; I66-G125 PolarHBondContact N-O 3.36Å; I66-V126 HydrophobicContact CB-CG1 4.5Å; I66-H127 PolarHBondContact O-N 3.17Å; I66-H127 VanDerWaalsContact O-N 3.09Å
67D96.5Very high91.5Very high4 Ų456.3 Ų56.32%0.02125%0.254CS..EExtended strand (participates in β ladder)trans-95.2110.4179.5177.8-3.6000111T69 Y87 L88 K89 I90 H127D67-T69 VanDerWaalsContact C-N 3.34Å; D67-T69 WeakPolarHBondContact OD1-CA 3.29Å; D67-T69 VanDerWaalsContact OD1-CB 3.23Å; D67-T69 WeakPolarHBondContact OD1-CB 3.4Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.49Å; D67-T69 PolarHBondContact OD1-N 3.37Å; D67-T69 PolarHBondContact OD1-OG1 3.01Å; D67-T69 PolarHBondContact OD2-OG1 2.97Å; D67-Y87 HydrophobicContact CB-CE2 3.67Å; D67-Y87 WeakPolarHBondContact CB-OH 3.24Å; D67-Y87 PolarHBondContact OD2-OH 2.76Å; D67-L88 PolarHBondContact N-O 3.21Å; D67-K89 HydrophobicContact CB-CB 4.41Å; D67-K89 HydrophobicContact CB-CG 4.16Å; D67-K89 CarbonylContact O-C 3.55Å; D67-K89 WeakPolarHBondContact O-CA 3.24Å; D67-K89 WeakPolarHBondContact O-CG 3.33Å; D67-K89 IonicContact OD1-NZ 3.48Å; D67-K89 PolarHBondContact OD1-NZ 3.48Å; D67-K89 IonicContact OD2-NZ 2.73Å; D67-K89 PolarHBondContact OD2-NZ 3.44Å; D67-I90 PolarHBondContact O-N 3.13Å; D67-H127 IonicContact OD1-CE1 2.77Å; D67-H127 PolarHBondContact OD1-CE1 3.25Å; D67-H127 IonicContact OD2-CE1 3.41Å
68L95.3Very high91.6Very high0 Ų063.9 Ų63.90%028%0.282CS..  trans-9212-179.8-53.1177.8000113.5I66 I90 V126 H127 C128 R134 M138I66-L68 HydrophobicContact CG2-CD2 3.86Å; L68-I90 WeakPolarHBondContact CA-O 3.16Å; L68-I90 HydrophobicContact CD2-CB 4.02Å; L68-I90 HydrophobicContact CD2-CD1 4.44Å; L68-V126 HydrophobicContact CD1-CG1 3.79Å; L68-V126 HydrophobicContact CG-CG1 4.21Å; L68-H127 WeakPolarHBondContact CB-O 3.21Å; L68-H127 PolarHBondContact N-O 2.85Å; L68-C128 HydrophobicContact CB-CB 4.03Å; L68-R134 HydrophobicContact CD1-CB 4.32Å; L68-R134 PolarHBondContact O-NH1 3.24Å; L68-M138 HydrophobicContact CD1-CB 4.25Å; L68-M138 HydrophobicContact CD1-CG 3.73Å; L68-M138 HydrophobicContact CD2-CE 4.26Å; L68-M138 HydrophobicContact CD2-CG 4.12Å
69T92.1Very high91.7Very high1 Ų159.3 Ų59.31%0.00626%0.26CS..  trans-88.3142.3177.572.20000110.7D67 S71 F74 K89 C128D67-T69 VanDerWaalsContact C-N 3.34Å; D67-T69 WeakPolarHBondContact OD1-CA 3.29Å; D67-T69 VanDerWaalsContact OD1-CB 3.23Å; D67-T69 WeakPolarHBondContact OD1-CB 3.4Å; D67-T69 WeakPolarHBondContact OD1-CG2 3.49Å; D67-T69 PolarHBondContact OD1-N 3.37Å; D67-T69 PolarHBondContact OD1-OG1 3.01Å; D67-T69 PolarHBondContact OD2-OG1 2.97Å; T69-S71 VanDerWaalsContact C-N 3.3Å; T69-S71 PolarHBondContact OG1-O 3.48Å; T69-S71 VanDerWaalsContact OG1-O 3.09Å; T69-F74 HydrophobicContact CG2-CD2 4.28Å; T69-F74 HydrophobicContact CG2-CE2 4.07Å; T69-K89 WeakPolarHBondContact O-CE 3.26Å; T69-K89 PolarHBondContact O-NZ 3.46Å; T69-K89 PolarHBondContact OG1-NZ 3.36Å; T69-C128 VanDerWaalsContact CG2-C 3.46Å
70K88Confident92Very high125 Ų12553.5 Ų53.554%0.54322%0.223SC..SBendtrans-70.4-29.5167.6-172.3177.1-178.4178.60112.6
71S84.8Confident92.2Very high30 Ų3052.7 Ų52.721%0.2123%0.228CC..  trans-75.5135.5-174.2169.80000111.4T69 R73 K89T69-S71 VanDerWaalsContact C-N 3.3Å; T69-S71 PolarHBondContact OG1-O 3.48Å; T69-S71 VanDerWaalsContact OG1-O 3.09Å; S71-R73 VanDerWaalsContact OG-CD 3.25Å; S71-R73 WeakPolarHBondContact OG-CD 3.42Å; S71-R73 WeakPolarHBondContact OG-CG 3.3Å; S71-R73 PolarHBondContact OG-N 2.89Å; S71-R73 PolarHBondContact OG-NE 2.84Å; S71-K89 PolarHBondContact O-NZ 3.38Å
72R85.5Confident92.2Very high195 Ų19554.8 Ų54.874%0.73624%0.239SC*.SBendtrans-100.110.1170.1-61.2-178.5-175.4-170.60.2112.8K89 E91R72-K89 HydrophobicContact CG-CD 4.39Å; R72-E91 IonicContact CZ-OE1 3.48Å; R72-E91 IonicContact NE-OE1 2.99Å; R72-E91 PolarHBondContact NE-OE1 3.06Å; R72-E91 IonicContact NH2-OE1 3.15Å; R72-E91 PolarHBondContact NH2-OE1 2.89Å
73R85.5Confident92Very high92 Ų9258.4 Ų58.435%0.34726%0.256SS..  trans-92-1.2-171.388.5-151.9169.896.8-2.8114.5M8 K37 F38 S71M8-R73 PolarHBondContact O-NH1 2.83Å; M8-R73 PolarHBondContact O-NH2 3.02Å; K37-R73 WeakPolarHBondContact CE-O 3.42Å; K37-R73 PolarHBondContact NZ-O 2.93Å; F38-R73 WeakPolarHBondContact CE2-O 3.44Å; S71-R73 VanDerWaalsContact OG-CD 3.25Å; S71-R73 WeakPolarHBondContact OG-CD 3.42Å; S71-R73 WeakPolarHBondContact OG-CG 3.3Å; S71-R73 PolarHBondContact OG-N 2.89Å; S71-R73 PolarHBondContact OG-NE 2.84Å
74F88.3Confident91.8Very high10 Ų1063.5 Ų63.54%0.04428%0.282CS..SBendtrans-87.2-48.8-169.3-64.7-43.1000112.8P10 T32 L34 D35 F38 T69P10-F74 HydrophobicContact CB-CE1 4.38Å; P10-F74 HydrophobicContact CB-CZ 4.45Å; P10-F74 HydrophobicContact CG-CD1 4.27Å; P10-F74 HydrophobicContact CG-CE1 3.66Å; P10-F74 HydrophobicContact CG-CZ 4.09Å; T32-F74 HydrophobicContact CG2-CD2 3.95Å; T32-F74 HydrophobicContact CG2-CE2 4.27Å; T32-F74 HydrophobicContact CG2-CG 4.15Å; L34-F74 CarbonylContact C-O 3.4Å; L34-F74 WeakPolarHBondContact CA-O 3.27Å; L34-F74 HydrophobicContact CD2-CB 3.89Å; L34-F74 HydrophobicContact CD2-CD1 3.58Å; L34-F74 HydrophobicContact CD2-CE1 4.47Å; L34-F74 HydrophobicContact CD2-CG 4.01Å; D35-F74 VanDerWaalsContact CG-O 3.32Å; D35-F74 PolarHBondContact N-O 3.23Å; D35-F74 VanDerWaalsContact OD1-O 3.13Å; F38-F74 WeakPolarHBondContact CE2-O 3.46Å; F38-F74 HydrophobicContact CZ-CD1 4.38Å; T69-F74 HydrophobicContact CG2-CD2 4.28Å; T69-F74 HydrophobicContact CG2-CE2 4.07Å
75Y92.1Very high91.6Very high15 Ų1563.6 Ų63.66%0.05928%0.283CS..  trans-152.6166.3175.763.2-85.4000109.4P33 V50 V80 Y87 H127P33-Y75 HydrophobicContact CG-CD1 3.73Å; P33-Y75 HydrophobicContact CG-CE1 3.68Å; P33-Y75 HydrophobicContact CG-CG 4.2Å; P33-Y75 VanDerWaalsContact O-CD1 3.3Å; P33-Y75 WeakPolarHBondContact O-CD1 3.48Å; V50-Y75 HydrophobicContact CG2-CD2 3.52Å; V50-Y75 HydrophobicContact CG2-CE2 4.08Å; V50-Y75 HydrophobicContact CG2-CG 3.84Å; Y75-V80 HydrophobicContact CD2-CG2 4.39Å; Y75-V80 HydrophobicContact CE2-CG2 3.66Å; Y75-Y87 HydrophobicContact CE2-CE2 4.06Å; Y75-Y87 AromaticContact CZ-CE2 3.98Å; Y75-Y87 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y87 WeakPolarHBondContact OH-CE2 3.31Å; Y75-H127 AromaticContact CE1-CE1 3.79Å; Y75-H127 AromaticContact CE1-NE2 3.79Å; Y75-H127 AromaticContact CZ-NE2 3.67Å; Y75-H127 PolarHBondContact OH-NE2 2.91Å
76N90.5Very high91.5Very high74 Ų7469.2 Ų69.240%0.39631%0.308SS..  trans-86.4129.4175.9-168-31.6000109.9R78 E79N76-R78 PolarHBondContact O-N 3.27Å; N76-R78 WeakPolarHBondContact OD1-CB 3.3Å; N76-R78 WeakPolarHBondContact OD1-CG 3.48Å; N76-R78 PolarHBondContact OD1-N 3.11Å; N76-E79 HydrophobicContact CB-CG 4.35Å; N76-E79 WeakPolarHBondContact CB-OE1 3.47Å; N76-E79 PolarHBondContact N-OE1 3.29Å; N76-E79 WeakPolarHBondContact O-CB 3.5Å; N76-E79 PolarHBondContact O-N 3.26Å
77R91.9Very high91.4Very high166 Ų16671.4 Ų71.463%0.62632%0.316SS*.Hα-helixtrans-53.4-24.417570.3175.5-175.1175.42.1113.7E79 V80 T81 Y87R77-E79 VanDerWaalsContact C-N 3.28Å; R77-E79 PolarHBondContact O-N 2.75Å; R77-V80 PolarHBondContact O-N 3.37Å; R77-T81 PolarHBondContact O-N 3.22Å; R77-T81 PolarHBondContact O-OG1 2.92Å; R77-Y87 HydrophobicContact CB-CD1 3.55Å; R77-Y87 HydrophobicContact CB-CD2 4.38Å; R77-Y87 HydrophobicContact CB-CE1 3.66Å; R77-Y87 HydrophobicContact CB-CE2 4.48Å; R77-Y87 HydrophobicContact CB-CG 3.92Å; R77-Y87 HydrophobicContact CG-CD1 4.49Å
78R92.8Very high91.3Very high161 Ų16174.7 Ų74.761%0.60833%0.333SS*.Hα-helixtrans-60.2-37.5176.9-71-175.6-177.5179.20.1112.5N76 V80 T81 E82N76-R78 PolarHBondContact O-N 3.27Å; N76-R78 WeakPolarHBondContact OD1-CB 3.3Å; N76-R78 WeakPolarHBondContact OD1-CG 3.48Å; N76-R78 PolarHBondContact OD1-N 3.11Å; R78-V80 PolarHBondContact O-N 3.24Å; R78-T81 WeakPolarHBondContact CA-OG1 3.37Å; R78-T81 PolarHBondContact O-N 3.4Å; R78-T81 VanDerWaalsContact O-N 3.12Å; R78-T81 PolarHBondContact O-OG1 3.34Å; R78-E82 WeakPolarHBondContact O-CB 3.34Å; R78-E82 WeakPolarHBondContact O-CG 3.42Å; R78-E82 PolarHBondContact O-N 3.45Å
79E93Very high91.3Very high46 Ų4676.8 Ų76.822%0.21534%0.343CS..Hα-helixtrans-60.2-30.7177.8-62.8169.5-113.700111.7V50 N76 R77 Q83V50-E79 HydrophobicContact CB-CB 3.96Å; V50-E79 HydrophobicContact CG1-CB 4.1Å; V50-E79 HydrophobicContact CG2-CB 3.89Å; N76-E79 HydrophobicContact CB-CG 4.35Å; N76-E79 WeakPolarHBondContact CB-OE1 3.47Å; N76-E79 PolarHBondContact N-OE1 3.29Å; N76-E79 WeakPolarHBondContact O-CB 3.5Å; N76-E79 PolarHBondContact O-N 3.26Å; R77-E79 VanDerWaalsContact C-N 3.28Å; R77-E79 PolarHBondContact O-N 2.75Å; E79-Q83 WeakPolarHBondContact O-CG 3.33Å
80V93.9Very high91.4Very high0 Ų077 Ų770%034%0.344CS..Hα-helixtrans-78.2-45.8174.4173.60000111.1V50 F54 I65 Y75 R77 R78 E82 Q83 C85 Y87V50-V80 HydrophobicContact CG1-CG2 3.7Å; V50-V80 HydrophobicContact CG2-CG2 4.36Å; F54-V80 HydrophobicContact CZ-CG1 4.31Å; I65-V80 HydrophobicContact CB-CG1 4.16Å; I65-V80 HydrophobicContact CD1-CG1 3.81Å; I65-V80 HydrophobicContact CD1-CG2 3.95Å; I65-V80 HydrophobicContact CG1-CG1 4.24Å; Y75-V80 HydrophobicContact CD2-CG2 4.39Å; Y75-V80 HydrophobicContact CE2-CG2 3.66Å; R77-V80 PolarHBondContact O-N 3.37Å; R78-V80 PolarHBondContact O-N 3.24Å; V80-E82 VanDerWaalsContact C-N 3.26Å; V80-E82 PolarHBondContact O-N 2.87Å; V80-Q83 WeakPolarHBondContact O-CB 3.47Å; V80-Q83 PolarHBondContact O-N 3.4Å; V80-Q83 VanDerWaalsContact O-N 3.1Å; V80-C85 HydrophobicContact CG1-CB 3.99Å; V80-Y87 HydrophobicContact CB-CD2 4.43Å; V80-Y87 HydrophobicContact CG1-CD2 4.46Å; V80-Y87 HydrophobicContact CG2-CD2 4.29Å
81T93.1Very high91.5Very high75 Ų7574.8 Ų74.846%0.4634%0.335SS..Hα-helixtrans-69.3-25.1-177.5550000113.3R77 R78 Q83 D84 C85R77-T81 PolarHBondContact O-N 3.22Å; R77-T81 PolarHBondContact O-OG1 2.92Å; R78-T81 WeakPolarHBondContact CA-OG1 3.37Å; R78-T81 PolarHBondContact O-N 3.4Å; R78-T81 VanDerWaalsContact O-N 3.12Å; R78-T81 PolarHBondContact O-OG1 3.34Å; T81-Q83 PolarHBondContact O-N 3.02Å; T81-D84 PolarHBondContact O-N 2.88Å; T81-C85 WeakPolarHBondContact CA-O 3.08Å
82E93.2Very high91.3Very high146 Ų14673.4 Ų73.468%0.68233%0.326SS*.THydrogen-bonded Turntrans-67.9-19.2173.2-75.8164.6-168.200112.4R78 V80R78-E82 WeakPolarHBondContact O-CB 3.34Å; R78-E82 WeakPolarHBondContact O-CG 3.42Å; R78-E82 PolarHBondContact O-N 3.45Å; V80-E82 VanDerWaalsContact C-N 3.26Å; V80-E82 PolarHBondContact O-N 2.87Å
83Q89.7Confident90.8Very high78 Ų7869.9 Ų69.936%0.36432%0.316SS..THydrogen-bonded Turntrans-93.321.9176.5-61.8-70.4-9.600113.3D51 F54 E79 V80 T81 C85D51-Q83 PolarHBondContact OD1-NE2 3.17Å; F54-Q83 HydrophobicContact CD1-CB 4.03Å; F54-Q83 HydrophobicContact CD2-CB 4.09Å; F54-Q83 HydrophobicContact CD2-CG 3.85Å; F54-Q83 HydrophobicContact CE1-CB 3.63Å; F54-Q83 HydrophobicContact CE1-CG 4.44Å; F54-Q83 HydrophobicContact CE2-CB 3.72Å; F54-Q83 HydrophobicContact CE2-CG 3.79Å; F54-Q83 HydrophobicContact CG-CB 4.25Å; F54-Q83 HydrophobicContact CG-CG 4.24Å; F54-Q83 HydrophobicContact CZ-CB 3.48Å; F54-Q83 VanDerWaalsContact CZ-CB 3.48Å; F54-Q83 HydrophobicContact CZ-CG 4.11Å; E79-Q83 WeakPolarHBondContact O-CG 3.33Å; V80-Q83 WeakPolarHBondContact O-CB 3.47Å; V80-Q83 PolarHBondContact O-N 3.4Å; V80-Q83 VanDerWaalsContact O-N 3.1Å; T81-Q83 PolarHBondContact O-N 3.02Å; Q83-C85 VanDerWaalsContact C-N 3.26Å; Q83-C85 PolarHBondContact O-N 2.8Å
84D90.1Very high89.8Confident109 Ų10967.2 Ų67.258%0.58332%0.316SS*.THydrogen-bonded Turntrans56.338.4-177.7-17444.7000113K61 T81K61-D84 IonicContact NZ-OD2 3.74Å; K61-D84 PolarHBondContact NZ-OD2 3.38Å; T81-D84 PolarHBondContact O-N 2.88Å
85C92.9Very high88.6Confident5 Ų574.3 Ų74.33%0.03436%0.355CS..  trans-127.8132.7-176.2-175.90000110.9F54 L64 V80 T81 Q83F54-C85 HydrophobicContact CE1-CB 3.69Å; F54-C85 HydrophobicContact CZ-CB 3.51Å; L64-C85 PolarHBondContact N-SG 3.23Å; L64-C85 VanDerWaalsContact N-SG 3.43Å; V80-C85 HydrophobicContact CG1-CB 3.99Å; T81-C85 WeakPolarHBondContact CA-O 3.08Å; Q83-C85 VanDerWaalsContact C-N 3.26Å; Q83-C85 PolarHBondContact O-N 2.8Å
86K94.4Very high87Confident122 Ų12279.6 Ų79.653%0.5338%0.38SS..EExtended strand (participates in β ladder)trans-70.1144.8176.5-65.7179-178.1175.20109.5G63 L64 I65G63-K86 PolarHBondContact O-N 3.39Å; L64-K86 CarbonylContact C-O 3.52Å; L64-K86 WeakPolarHBondContact CA-O 3.35Å; L64-K86 HydrophobicContact CD1-CB 3.79Å; I65-K86 PolarHBondContact N-O 3.45Å
87Y96Very high86.1Confident45 Ų4580.7 Ų80.718%0.17638%0.383CS..EExtended strand (participates in β ladder)trans-124.2126.1176.4173.1-89.7000110.2I65 D67 Y75 R77 V80 K89I65-Y87 HydrophobicContact CG2-CD2 4.35Å; D67-Y87 HydrophobicContact CB-CE2 3.67Å; D67-Y87 WeakPolarHBondContact CB-OH 3.24Å; D67-Y87 PolarHBondContact OD2-OH 2.76Å; Y75-Y87 HydrophobicContact CE2-CE2 4.06Å; Y75-Y87 AromaticContact CZ-CE2 3.98Å; Y75-Y87 VanDerWaalsContact OH-CE2 3.3Å; Y75-Y87 WeakPolarHBondContact OH-CE2 3.31Å; R77-Y87 HydrophobicContact CB-CD1 3.55Å; R77-Y87 HydrophobicContact CB-CD2 4.38Å; R77-Y87 HydrophobicContact CB-CE1 3.66Å; R77-Y87 HydrophobicContact CB-CE2 4.48Å; R77-Y87 HydrophobicContact CB-CG 3.92Å; R77-Y87 HydrophobicContact CG-CD1 4.49Å; V80-Y87 HydrophobicContact CB-CD2 4.43Å; V80-Y87 HydrophobicContact CG1-CD2 4.46Å; V80-Y87 HydrophobicContact CG2-CD2 4.29Å; Y87-K89 HydrophobicContact CE1-CB 4.09Å
88L94.6Very high85.9Confident73 Ų7378.5 Ų78.538%0.38238%0.375SS..EExtended strand (participates in β ladder)trans-131.2141.2174.7-69.7172.4000110.2L64 I65 I66 D67 I110L64-L88 HydrophobicContact CD1-CB 4.33Å; L64-L88 HydrophobicContact CD1-CD1 3.95Å; L64-L88 HydrophobicContact CD1-CG 4.1Å; I65-L88 PolarHBondContact O-N 3.06Å; I66-L88 CarbonylContact C-O 3.55Å; I66-L88 WeakPolarHBondContact CA-O 3.47Å; D67-L88 PolarHBondContact N-O 3.21Å; L88-I110 HydrophobicContact CD1-CB 4.33Å; L88-I110 HydrophobicContact CD1-CD1 4.05Å; L88-I110 HydrophobicContact CD1-CG1 3.99Å; L88-I110 HydrophobicContact CD1-CG2 3.42Å; L88-I110 VanDerWaalsContact CD1-CG2 3.42Å
89K95.2Very high85.8Confident45 Ų4570.9 Ų70.920%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-118.4122.4-179.3-168179.8-169.765.50109.8D67 T69 S71 R72 Y87 E91D67-K89 HydrophobicContact CB-CB 4.41Å; D67-K89 HydrophobicContact CB-CG 4.16Å; D67-K89 CarbonylContact O-C 3.55Å; D67-K89 WeakPolarHBondContact O-CA 3.24Å; D67-K89 WeakPolarHBondContact O-CG 3.33Å; D67-K89 IonicContact OD1-NZ 3.48Å; D67-K89 PolarHBondContact OD1-NZ 3.48Å; D67-K89 IonicContact OD2-NZ 2.73Å; D67-K89 PolarHBondContact OD2-NZ 3.44Å; T69-K89 WeakPolarHBondContact O-CE 3.26Å; T69-K89 PolarHBondContact O-NZ 3.46Å; T69-K89 PolarHBondContact OG1-NZ 3.36Å; S71-K89 PolarHBondContact O-NZ 3.38Å; R72-K89 HydrophobicContact CG-CD 4.39Å; Y87-K89 HydrophobicContact CE1-CB 4.09Å; K89-E91 HydrophobicContact CD-CG 4.09Å; K89-E91 HydrophobicContact CG-CG 4.1Å
90I93.6Very high85.8Confident6 Ų671.2 Ų71.23%0.03135%0.351CS..  trans-109.2102.2172-55.4176.5000106.5I66 D67 L68 C92 Q103 L106 F107 I110 M138I66-I90 HydrophobicContact CG2-CD1 3.96Å; I66-I90 HydrophobicContact CG2-CG1 4.21Å; D67-I90 PolarHBondContact O-N 3.13Å; L68-I90 WeakPolarHBondContact CA-O 3.16Å; L68-I90 HydrophobicContact CD2-CB 4.02Å; L68-I90 HydrophobicContact CD2-CD1 4.44Å; I90-C92 PolarHBondContact O-N 3.32Å; I90-Q103 HydrophobicContact CG2-CB 4.06Å; I90-Q103 HydrophobicContact CG2-CG 4.21Å; I90-L106 HydrophobicContact CD1-CG 4.39Å; I90-L106 HydrophobicContact CG1-CD2 4.29Å; I90-L106 HydrophobicContact CG2-CD2 4.46Å; I90-F107 HydrophobicContact CD1-CB 3.78Å; I90-F107 HydrophobicContact CD1-CD2 4.02Å; I90-F107 HydrophobicContact CD1-CG 4.42Å; I90-I110 HydrophobicContact CD1-CD1 3.93Å; I90-I110 HydrophobicContact CG1-CD1 4.15Å; I90-M138 HydrophobicContact CG2-CE 4.34Å
91E89.9Confident85.7Confident77 Ų7774.5 Ų74.536%0.3637%0.373SS..  trans-73.385-171-64.5-172.9179.300112R72 K89 Q103R72-E91 IonicContact CZ-OE1 3.48Å; R72-E91 IonicContact NE-OE1 2.99Å; R72-E91 PolarHBondContact NE-OE1 3.06Å; R72-E91 IonicContact NH2-OE1 3.15Å; R72-E91 PolarHBondContact NH2-OE1 2.89Å; K89-E91 HydrophobicContact CD-CG 4.09Å; K89-E91 HydrophobicContact CG-CG 4.1Å; E91-Q103 PolarHBondContact O-NE2 3.28Å
92C82.1Confident85.6Confident1 Ų177 Ų771%0.00738%0.379CS..  trans-72.2127.8169.3-60.90000110.1I90I90-C92 PolarHBondContact O-N 3.32Å
93K74.8Confident85.7Confident122 Ų12271.7 Ų71.753%0.5335%0.354SS..  trans-57.8148.9178.1-76.8172.9176176.60110.8E97K93-E97 HydrophobicContact CB-CB 4.36Å; K93-E97 WeakPolarHBondContact CB-OE2 3.4Å; K93-E97 WeakPolarHBondContact CD-OE2 3.41Å
94G63.9Low85.9Confident35 Ų3568 Ų6836%0.36134%0.337SS..SBendtrans-77.3-174.9173.900000111.4
95N62.1Low85.9Confident160 Ų16066.6 Ų66.686%0.85633%0.329SS*.THydrogen-bonded Turntrans63.244.9177.2-54.4-18.7000114.6E97N95-E97 PolarHBondContact O-N 2.63Å
96E58.9Low86Confident125 Ų12570 Ų7058%0.58435%0.347SS*.THydrogen-bonded Turntrans69.315166.8-36.3-167.3134.700114.5R98 K168E96-R98 PolarHBondContact O-N 3.39Å; E96-K168 VanDerWaalsContact CG-NZ 3.27Å; E96-K168 IonicContact OE1-NZ 2.67Å; E96-K168 PolarHBondContact OE1-NZ 2.82Å
97E71.9Confident86.1Confident97 Ų9764.1 Ų64.145%0.45332%0.321SS..PPolyproline II helixtrans-68136.2167.3-71.6-176.7-170.100110.6K93 N95 Y171K93-E97 HydrophobicContact CB-CB 4.36Å; K93-E97 WeakPolarHBondContact CB-OE2 3.4Å; K93-E97 WeakPolarHBondContact CD-OE2 3.41Å; N95-E97 PolarHBondContact O-N 2.63Å; E97-Y171 PolarHBondContact O-OH 3.43Å
98R87.4Confident85.9Confident121 Ų12162.4 Ų62.446%0.45732%0.315SS..PPolyproline II helixtrans-78.6148.8177.3-61165.6-72.8179.3-3.1109.2E96 T100 D170 D174E96-R98 PolarHBondContact O-N 3.39Å; R98-T100 PolarHBondContact O-N 3.07Å; R98-D170 VanDerWaalsContact CD-O 3.24Å; R98-D170 WeakPolarHBondContact CD-O 3.39Å; R98-D174 WeakPolarHBondContact CB-OD2 3.24Å; R98-D174 WeakPolarHBondContact CD-OD2 2.97Å; R98-D174 IonicContact NE-OD2 2.76Å
99P92.2Very high85.9Confident1 Ų165 Ų651%0.00633%0.325CS..PPolyproline II helixtrans-55.8130.8176.5-27.938.1000112.2V104 F137 M138 R178P99-V104 HydrophobicContact CB-CG2 4.16Å; P99-F137 HydrophobicContact CB-CD1 3.78Å; P99-F137 HydrophobicContact CB-CE1 3.97Å; P99-F137 HydrophobicContact CG-CB 4.09Å; P99-F137 HydrophobicContact CG-CD1 3.51Å; P99-F137 HydrophobicContact CG-CE1 4.12Å; P99-F137 HydrophobicContact CG-CG 3.82Å; P99-M138 HydrophobicContact CB-CE 3.67Å; P99-M138 HydrophobicContact CB-SD 3.99Å; P99-M138 HydrophobicContact CG-CE 4.18Å; P99-M138 HydrophobicContact CG-SD 4.36Å; P99-R178 PolarHBondContact O-NH1 2.92Å; P99-R178 PolarHBondContact O-NH2 3.4Å
100T92.5Very high85.8Confident53 Ų5363.7 Ų63.733%0.32532%0.32SS..PPolyproline II helixtrans-73.7157178.877.90000110.8R98 E102 Q103 V104R98-T100 PolarHBondContact O-N 3.07Å; T100-E102 WeakPolarHBondContact CB-OE2 3.18Å; T100-E102 PolarHBondContact O-N 2.89Å; T100-E102 PolarHBondContact OG1-OE2 3.43Å; T100-Q103 WeakPolarHBondContact O-CB 3.49Å; T100-Q103 PolarHBondContact O-N 3.5Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.48Å; T100-Q103 PolarHBondContact OG1-N 2.9Å; T100-V104 WeakPolarHBondContact O-CG2 3.44Å; T100-V104 PolarHBondContact O-N 3.06Å
101P90.8Very high85.9Confident69 Ų6963.4 Ų63.445%0.44832%0.319SS..Hα-helixtrans-52.8-37175.3-27.736.5000113.3Q103 V104 N105P101-Q103 VanDerWaalsContact C-N 3.34Å; P101-Q103 PolarHBondContact O-N 2.77Å; P101-V104 PolarHBondContact O-N 3.34Å; P101-N105 WeakPolarHBondContact O-CB 3.31Å; P101-N105 VanDerWaalsContact O-CG 3.23Å; P101-N105 PolarHBondContact O-N 2.99Å; P101-N105 PolarHBondContact O-ND2 3.48Å
102E92.1Very high85.9Confident126 Ų12661.5 Ų61.559%0.58931%0.311SS*.Hα-helixtrans-66.5-36.7177.6-54.373.9-159.100112T100 L106T100-E102 WeakPolarHBondContact CB-OE2 3.18Å; T100-E102 PolarHBondContact O-N 2.89Å; T100-E102 PolarHBondContact OG1-OE2 3.43Å; E102-L106 WeakPolarHBondContact O-CB 3.22Å; E102-L106 PolarHBondContact O-N 3.07Å
103Q94.1Very high86.3Confident35 Ų3567.6 Ų67.616%0.16434%0.339CS..Hα-helixtrans-71.3-36.1176.4-65.6-179.7-30.500111.8I90 E91 T100 P101 F107 M138I90-Q103 HydrophobicContact CG2-CB 4.06Å; I90-Q103 HydrophobicContact CG2-CG 4.21Å; E91-Q103 PolarHBondContact O-NE2 3.28Å; T100-Q103 WeakPolarHBondContact O-CB 3.49Å; T100-Q103 PolarHBondContact O-N 3.5Å; T100-Q103 WeakPolarHBondContact OG1-CG 3.48Å; T100-Q103 PolarHBondContact OG1-N 2.9Å; P101-Q103 VanDerWaalsContact C-N 3.34Å; P101-Q103 PolarHBondContact O-N 2.77Å; Q103-F107 WeakPolarHBondContact O-CB 3.32Å; Q103-F107 PolarHBondContact O-N 3.33Å; Q103-M138 HydrophobicContact CB-CE 3.79Å
104V93.7Very high87.2Confident0 Ų062.2 Ų62.20%032%0.316CS..Hα-helixtrans-64.2-49.5173.3173.10000110.1P99 T100 P101 L106 F107 I108 F137 M138 A141P99-V104 HydrophobicContact CB-CG2 4.16Å; T100-V104 WeakPolarHBondContact O-CG2 3.44Å; T100-V104 PolarHBondContact O-N 3.06Å; P101-V104 PolarHBondContact O-N 3.34Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 3.28Å; V104-F107 WeakPolarHBondContact O-CB 3.4Å; V104-F107 PolarHBondContact O-N 2.83Å; V104-F107 VanDerWaalsContact O-N 3.09Å; V104-I108 HydrophobicContact CG1-CD1 3.82Å; V104-I108 WeakPolarHBondContact O-CG1 3.39Å; V104-I108 PolarHBondContact O-N 2.9Å; V104-F137 HydrophobicContact CG2-CD1 4.36Å; V104-F137 HydrophobicContact CG2-CE1 3.85Å; V104-M138 HydrophobicContact CG2-SD 4.05Å; V104-A141 HydrophobicContact CG1-CB 3.67Å; V104-A141 HydrophobicContact CG2-CB 4.44Å
105N91.4Very high88.3Confident80 Ų8062.8 Ų62.843%0.42831%0.31SS..Hα-helixtrans-58.7-43177-70.4-12.9000111.9P101 I108 Q109P101-N105 WeakPolarHBondContact O-CB 3.31Å; P101-N105 VanDerWaalsContact O-CG 3.23Å; P101-N105 PolarHBondContact O-N 2.99Å; P101-N105 PolarHBondContact O-ND2 3.48Å; N105-I108 PolarHBondContact O-N 2.86Å; N105-Q109 WeakPolarHBondContact O-CB 3.35Å; N105-Q109 VanDerWaalsContact O-CG 3.28Å; N105-Q109 WeakPolarHBondContact O-CG 2.97Å; N105-Q109 PolarHBondContact O-N 3.32Å
106L94.7Very high89.3Confident76 Ų7659 Ų5940%0.39829%0.29SS..Hα-helixtrans-63.9-41.3175.8179.561.1000111.8I90 E102 V104 Q109 I110I90-L106 HydrophobicContact CD1-CG 4.39Å; I90-L106 HydrophobicContact CG1-CD2 4.29Å; I90-L106 HydrophobicContact CG2-CD2 4.46Å; E102-L106 WeakPolarHBondContact O-CB 3.22Å; E102-L106 PolarHBondContact O-N 3.07Å; V104-L106 VanDerWaalsContact C-N 3.32Å; V104-L106 PolarHBondContact O-N 3.28Å; L106-Q109 PolarHBondContact O-N 3.04Å; L106-I110 HydrophobicContact CD1-CD1 3.93Å; L106-I110 HydrophobicContact CD1-CG1 4.24Å; L106-I110 HydrophobicContact CG-CD1 3.84Å; L106-I110 WeakPolarHBondContact O-CB 3.16Å; L106-I110 WeakPolarHBondContact O-CD1 3.41Å; L106-I110 VanDerWaalsContact O-CG1 3.23Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 2.94Å
107F96.8Very high90.4Very high0 Ų057.6 Ų57.60%029%0.287CS..Hα-helixtrans-59.6-48.3174.8179.1-93.6000110.9F27 I66 I90 Q103 V104 I110 V111 V126 M138 I139 Y142F27-F107 HydrophobicContact CD1-CZ 4.45Å; F27-F107 HydrophobicContact CE1-CE1 4.15Å; F27-F107 AromaticContact CE1-CZ 3.78Å; F27-F107 HydrophobicContact CE1-CZ 3.78Å; F27-F107 HydrophobicContact CZ-CE1 4.22Å; F27-F107 HydrophobicContact CZ-CZ 4.29Å; I66-F107 HydrophobicContact CB-CE2 4.42Å; I66-F107 HydrophobicContact CD1-CD2 3.89Å; I66-F107 HydrophobicContact CD1-CE2 3.55Å; I66-F107 HydrophobicContact CD1-CZ 4.35Å; I66-F107 HydrophobicContact CG2-CD2 4.05Å; I66-F107 HydrophobicContact CG2-CE2 4.12Å; I90-F107 HydrophobicContact CD1-CB 3.78Å; I90-F107 HydrophobicContact CD1-CD2 4.02Å; I90-F107 HydrophobicContact CD1-CG 4.42Å; Q103-F107 WeakPolarHBondContact O-CB 3.32Å; Q103-F107 PolarHBondContact O-N 3.33Å; V104-F107 WeakPolarHBondContact O-CB 3.4Å; V104-F107 PolarHBondContact O-N 2.83Å; V104-F107 VanDerWaalsContact O-N 3.09Å; F107-I110 PolarHBondContact O-N 3.24Å; F107-V111 HydrophobicContact CD1-CG2 4.17Å; F107-V111 HydrophobicContact CE1-CG2 3.82Å; F107-V111 HydrophobicContact CE2-CG2 4.34Å; F107-V111 HydrophobicContact CZ-CG2 3.91Å; F107-V111 VanDerWaalsContact O-CG2 3.3Å; F107-V111 WeakPolarHBondContact O-CG2 3.42Å; F107-V111 PolarHBondContact O-N 3.12Å; F107-V126 HydrophobicContact CE2-CG1 3.98Å; F107-V126 HydrophobicContact CE2-CG2 4.07Å; F107-V126 HydrophobicContact CZ-CG1 4.45Å; F107-V126 HydrophobicContact CZ-CG2 4.09Å; F107-M138 HydrophobicContact CB-CE 4.49Å; F107-M138 HydrophobicContact CB-SD 3.94Å; F107-M138 HydrophobicContact CD1-CB 3.99Å; F107-M138 HydrophobicContact CD2-CB 3.94Å; F107-M138 HydrophobicContact CD2-CG 4.23Å; F107-M138 HydrophobicContact CE1-CB 3.96Å; F107-M138 VanDerWaalsContact CE1-O 3.29Å; F107-M138 WeakPolarHBondContact CE1-O 3.06Å; F107-M138 HydrophobicContact CE2-CB 3.91Å; F107-M138 HydrophobicContact CG-CB 3.98Å; F107-M138 HydrophobicContact CG-CG 4.31Å; F107-M138 HydrophobicContact CG-SD 4.13Å; F107-M138 HydrophobicContact CZ-CB 3.93Å; F107-I139 HydrophobicContact CZ-CG1 4.41Å; F107-Y142 HydrophobicContact CE1-CG 4.43Å
108I92.5Very high90.8Very high9 Ų954.8 Ų54.85%0.04628%0.275CS..Hα-helixtrans-58-50.1177.4-72.8166.4000111.4V104 N105 I110 V111 N112 Y142 E145 E146V104-I108 HydrophobicContact CG1-CD1 3.82Å; V104-I108 WeakPolarHBondContact O-CG1 3.39Å; V104-I108 PolarHBondContact O-N 2.9Å; N105-I108 PolarHBondContact O-N 2.86Å; I108-I110 VanDerWaalsContact C-N 3.33Å; I108-I110 PolarHBondContact O-N 2.97Å; I108-V111 PolarHBondContact O-N 3.22Å; I108-N112 PolarHBondContact O-N 2.73Å; I108-Y142 HydrophobicContact CB-CD2 4.35Å; I108-Y142 HydrophobicContact CG1-CD2 3.92Å; I108-E145 HydrophobicContact CD1-CB 3.81Å; I108-E145 HydrophobicContact CD1-CG 4.18Å; I108-E145 WeakPolarHBondContact CD1-OE2 3.35Å; I108-E146 HydrophobicContact CG1-CG 4.37Å; I108-E146 HydrophobicContact CG2-CG 3.51Å; I108-E146 VanDerWaalsContact CG2-OE1 3.26Å; I108-E146 WeakPolarHBondContact CG2-OE1 3.19Å
109Q93.2Very high89.6Confident127 Ų12755.2 Ų55.259%0.59329%0.291SS*.Hα-helixtrans-57.8-44.5178-74.7174.3-15.300112.3N105 L106 V111 Q113N105-Q109 WeakPolarHBondContact O-CB 3.35Å; N105-Q109 VanDerWaalsContact O-CG 3.28Å; N105-Q109 WeakPolarHBondContact O-CG 2.97Å; N105-Q109 PolarHBondContact O-N 3.32Å; L106-Q109 PolarHBondContact O-N 3.04Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; Q109-Q113 VanDerWaalsContact O-CB 3.23Å; Q109-Q113 WeakPolarHBondContact O-CB 3.29Å; Q109-Q113 PolarHBondContact O-N 3.38Å
110I94.5Very high88.4Confident18 Ų1857 Ų579%0.09231%0.31CS..Hα-helixtrans-62.8-43.1178-74.1166.6000111.1L64 I66 L88 I90 L106 F107 I108 F114L64-I110 HydrophobicContact CD2-CG2 3.79Å; I66-I110 HydrophobicContact CD1-CG2 3.87Å; I66-I110 HydrophobicContact CG1-CG2 4.36Å; L88-I110 HydrophobicContact CD1-CB 4.33Å; L88-I110 HydrophobicContact CD1-CD1 4.05Å; L88-I110 HydrophobicContact CD1-CG1 3.99Å; L88-I110 HydrophobicContact CD1-CG2 3.42Å; L88-I110 VanDerWaalsContact CD1-CG2 3.42Å; I90-I110 HydrophobicContact CD1-CD1 3.93Å; I90-I110 HydrophobicContact CG1-CD1 4.15Å; L106-I110 HydrophobicContact CD1-CD1 3.93Å; L106-I110 HydrophobicContact CD1-CG1 4.24Å; L106-I110 HydrophobicContact CG-CD1 3.84Å; L106-I110 WeakPolarHBondContact O-CB 3.16Å; L106-I110 WeakPolarHBondContact O-CD1 3.41Å; L106-I110 VanDerWaalsContact O-CG1 3.23Å; L106-I110 WeakPolarHBondContact O-CG1 3.42Å; L106-I110 PolarHBondContact O-N 2.94Å; F107-I110 PolarHBondContact O-N 3.24Å; I108-I110 VanDerWaalsContact C-N 3.33Å; I108-I110 PolarHBondContact O-N 2.97Å; I110-F114 WeakPolarHBondContact O-CB 3.33Å; I110-F114 PolarHBondContact O-N 3.43Å
111V94.3Very high87.8Confident0 Ų060.6 Ų60.60%033%0.327CS..Hα-helixtrans-66.7-50.2180172.50000110.7I26 F27 I66 F107 I108 Q109 Q113 F114 L115 I124 Y142I26-V111 HydrophobicContact CG2-CG1 4.48Å; F27-V111 HydrophobicContact CE1-CG1 4Å; F27-V111 HydrophobicContact CE1-CG2 3.66Å; F27-V111 HydrophobicContact CZ-CG1 3.77Å; F27-V111 HydrophobicContact CZ-CG2 4Å; I66-V111 HydrophobicContact CD1-CG2 4.05Å; F107-V111 HydrophobicContact CD1-CG2 4.17Å; F107-V111 HydrophobicContact CE1-CG2 3.82Å; F107-V111 HydrophobicContact CE2-CG2 4.34Å; F107-V111 HydrophobicContact CZ-CG2 3.91Å; F107-V111 VanDerWaalsContact O-CG2 3.3Å; F107-V111 WeakPolarHBondContact O-CG2 3.42Å; F107-V111 PolarHBondContact O-N 3.12Å; I108-V111 PolarHBondContact O-N 3.22Å; Q109-V111 VanDerWaalsContact C-N 3.35Å; V111-Q113 PolarHBondContact O-N 3.39Å; V111-F114 WeakPolarHBondContact O-CB 3.44Å; V111-F114 PolarHBondContact O-N 3.5Å; V111-L115 HydrophobicContact CG1-CD1 3.81Å; V111-L115 HydrophobicContact CG1-CG 4.2Å; V111-L115 WeakPolarHBondContact O-CG 3.38Å; V111-L115 PolarHBondContact O-N 2.92Å; V111-I124 HydrophobicContact CB-CD1 4.19Å; V111-I124 HydrophobicContact CG1-CD1 3.71Å; V111-I124 HydrophobicContact CG2-CD1 4.02Å; V111-Y142 HydrophobicContact CB-CD2 3.9Å; V111-Y142 HydrophobicContact CB-CE2 3.54Å; V111-Y142 HydrophobicContact CG1-CD1 4.49Å; V111-Y142 HydrophobicContact CG1-CD2 3.84Å; V111-Y142 HydrophobicContact CG1-CE1 3.95Å; V111-Y142 HydrophobicContact CG1-CE2 3.23Å; V111-Y142 HydrophobicContact CG1-CG 4.45Å; V111-Y142 HydrophobicContact CG2-CD2 4.33Å; V111-Y142 HydrophobicContact CG2-CE2 4.44Å
112N89.6Confident87.7Confident36 Ų3659 Ų5919%0.19331%0.314CS..Hα-helixtrans-59.1-48.5178.9-75.3-8.1000110.9I108 F114 L115 D116 Y142 E146I108-N112 PolarHBondContact O-N 2.73Å; N112-F114 PolarHBondContact O-N 2.82Å; N112-L115 PolarHBondContact O-N 2.96Å; N112-D116 WeakPolarHBondContact O-CB 3.31Å; N112-D116 PolarHBondContact O-N 3.19Å; N112-Y142 VanDerWaalsContact OD1-CE2 3.26Å; N112-Y142 WeakPolarHBondContact OD1-CE2 3.42Å; N112-Y142 PolarHBondContact OD1-OH 2.92Å; N112-E146 PolarHBondContact ND2-OE2 2.82Å
113Q91.5Very high87.8Confident129 Ų12953.6 Ų53.660%0.60329%0.288SS*.Hα-helixtrans-57.5-37.3175.3-173-17716.700112.2Q109 V111 N117Q109-Q113 VanDerWaalsContact O-CB 3.23Å; Q109-Q113 WeakPolarHBondContact O-CB 3.29Å; Q109-Q113 PolarHBondContact O-N 3.38Å; V111-Q113 PolarHBondContact O-N 3.39Å; Q113-N117 PolarHBondContact O-N 2.68Å; Q113-N117 PolarHBondContact O-ND2 3.41Å
114F92.8Very high87.9Confident9 Ų952 Ų524%0.03928%0.281CS..Hα-helixtrans-69.6-42.7176.3-179.7-92.6000112.2G63 L64 I110 V111 N112 N117 N118 Q122 I124G63-F114 VanDerWaalsContact C-CE2 3.46Å; G63-F114 WeakPolarHBondContact O-CE2 3.38Å; L64-F114 HydrophobicContact CB-CD1 4.48Å; L64-F114 HydrophobicContact CB-CD2 3.53Å; L64-F114 HydrophobicContact CB-CE1 4.43Å; L64-F114 HydrophobicContact CB-CE2 3.48Å; L64-F114 VanDerWaalsContact CB-CE2 3.48Å; L64-F114 HydrophobicContact CB-CG 4.05Å; L64-F114 HydrophobicContact CB-CZ 3.96Å; L64-F114 HydrophobicContact CD2-CB 3.8Å; L64-F114 HydrophobicContact CD2-CD2 3.89Å; L64-F114 HydrophobicContact CD2-CG 3.82Å; L64-F114 HydrophobicContact CG-CD2 4.29Å; I110-F114 WeakPolarHBondContact O-CB 3.33Å; I110-F114 PolarHBondContact O-N 3.43Å; V111-F114 WeakPolarHBondContact O-CB 3.44Å; V111-F114 PolarHBondContact O-N 3.5Å; N112-F114 PolarHBondContact O-N 2.82Å; F114-N117 PolarHBondContact O-N 3.24Å; F114-N118 VanDerWaalsContact CD2-ND2 3.26Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.49Å; F114-N118 HydrophobicContact CE1-CB 4.4Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.26Å; F114-N118 HydrophobicContact CZ-CB 4.5Å; F114-N118 VanDerWaalsContact CZ-ND2 3.28Å; F114-N118 WeakPolarHBondContact CZ-ND2 3.08Å; F114-N118 WeakPolarHBondContact O-CB 3.37Å; F114-N118 PolarHBondContact O-N 2.96Å; F114-N118 PolarHBondContact O-ND2 2.86Å; F114-Q122 HydrophobicContact CE1-CB 4.36Å; F114-Q122 HydrophobicContact CZ-CB 3.83Å; F114-I124 HydrophobicContact CB-CD1 4.34Å; F114-I124 HydrophobicContact CD1-CD1 3.63Å; F114-I124 HydrophobicContact CD1-CG1 3.51Å; F114-I124 HydrophobicContact CE1-CD1 4.32Å; F114-I124 HydrophobicContact CE1-CG1 3.7Å; F114-I124 HydrophobicContact CG-CD1 4.23Å; F114-I124 HydrophobicContact CG-CG1 4.28Å
115L87.4Confident88.1Confident47 Ų4752 Ų5225%0.24628%0.281CS..Hα-helixtrans-69-40.4-179.3-67.1178.6000111.9I26 V111 N112 N117 N118 Y142I26-L115 HydrophobicContact CD1-CD1 4.23Å; I26-L115 HydrophobicContact CG1-CD1 4.41Å; I26-L115 HydrophobicContact CG2-CD1 4.16Å; I26-L115 HydrophobicContact CG2-CD2 4.24Å; V111-L115 HydrophobicContact CG1-CD1 3.81Å; V111-L115 HydrophobicContact CG1-CG 4.2Å; V111-L115 WeakPolarHBondContact O-CG 3.38Å; V111-L115 PolarHBondContact O-N 2.92Å; N112-L115 PolarHBondContact O-N 2.96Å; L115-N117 PolarHBondContact O-N 3.31Å; L115-N118 PolarHBondContact O-N 3.28Å; L115-N118 VanDerWaalsContact O-O 3.05Å; L115-Y142 WeakPolarHBondContact CD1-OH 3.43Å
116D83.2Confident88.4Confident80 Ų8048.1 Ų48.143%0.42826%0.26SS..THydrogen-bonded Turntrans-66.2-14.4176.6-62.9-21.3000113.3N112 E313N112-D116 WeakPolarHBondContact O-CB 3.31Å; N112-D116 PolarHBondContact O-N 3.19Å; D116-E313 HydrophobicContact CB-CG 4.49Å; D116-E313 WeakPolarHBondContact O-CG 3.45Å; D116-E313 VanDerWaalsContact O-OE1 3.05Å
117N82.3Confident88.5Confident96 Ų9644.5 Ų44.551%0.51324%0.241SC..THydrogen-bonded Turntrans-108.9-1178.8-75.2-63.5000113.1Q113 F114 L115Q113-N117 PolarHBondContact O-N 2.68Å; Q113-N117 PolarHBondContact O-ND2 3.41Å; F114-N117 PolarHBondContact O-N 3.24Å; L115-N117 PolarHBondContact O-N 3.31Å
118N79.2Confident88.4Confident38 Ų3844.7 Ų44.720%0.20324%0.243CC..SBendtrans-133.7128.2-173.9-71.1-64.5000111.8F114 L115 G120 Q122F114-N118 VanDerWaalsContact CD2-ND2 3.26Å; F114-N118 WeakPolarHBondContact CD2-ND2 3.49Å; F114-N118 HydrophobicContact CE1-CB 4.4Å; F114-N118 WeakPolarHBondContact CE2-ND2 3.26Å; F114-N118 HydrophobicContact CZ-CB 4.5Å; F114-N118 VanDerWaalsContact CZ-ND2 3.28Å; F114-N118 WeakPolarHBondContact CZ-ND2 3.08Å; F114-N118 WeakPolarHBondContact O-CB 3.37Å; F114-N118 PolarHBondContact O-N 2.96Å; F114-N118 PolarHBondContact O-ND2 2.86Å; L115-N118 PolarHBondContact O-N 3.28Å; L115-N118 VanDerWaalsContact O-O 3.05Å; N118-G120 PolarHBondContact O-N 3.14Å; N118-Q122 PolarHBondContact OD1-OE1 2.82Å
119T62.6Low88.4Confident131 Ų13145.3 Ų45.380%0.80425%0.247SC*.  trans-74.232.8-174.665.20000114.6N121T119-N121 VanDerWaalsContact C-N 3.31Å; T119-N121 PolarHBondContact O-N 3.08Å
120G67.6Low88.4Confident39 Ų3940.7 Ų40.740%0.40223%0.225SC..SBendtrans80.5-7.9176.300000116.4N118 K123N118-G120 PolarHBondContact O-N 3.14Å; G120-K123 PolarHBondContact O-NZ 2.9Å
121N79Confident88.4Confident127 Ų12739.9 Ų39.968%0.67922%0.221SC*.SBendtrans-76.4-23.2-178.8-69.3-19.6000113.8T119T119-N121 VanDerWaalsContact C-N 3.31Å; T119-N121 PolarHBondContact O-N 3.08Å
122Q90.5Very high88.4Confident37 Ų3739.9 Ų39.917%0.17322%0.221CC..EExtended strand (participates in β ladder)trans-105.8145.2-179.5-69.3-175.2-38.900111.4K61 F114 N118K61-Q122 HydrophobicContact CD-CG 4.2Å; K61-Q122 HydrophobicContact CG-CG 4.37Å; K61-Q122 CarbonylContact O-C 3.57Å; K61-Q122 VanDerWaalsContact O-CA 3.27Å; K61-Q122 WeakPolarHBondContact O-CA 3.3Å; F114-Q122 HydrophobicContact CE1-CB 4.36Å; F114-Q122 HydrophobicContact CZ-CB 3.83Å; N118-Q122 PolarHBondContact OD1-OE1 2.82Å
123K93.5Very high88.6Confident12 Ų1238.7 Ų38.75%0.05221%0.214CC..EExtended strand (participates in β ladder)trans-116.6158.5-174.2-49.3-59.9178.4-167.80111.2M22 D25 I28 K61 L62 G63 L64 G120M22-K123 HydrophobicContact CE-CB 4.04Å; M22-K123 HydrophobicContact CE-CD 3.91Å; M22-K123 HydrophobicContact CE-CG 3.57Å; M22-K123 HydrophobicContact SD-CD 4.22Å; M22-K123 HydrophobicContact SD-CG 4.36Å; D25-K123 VanDerWaalsContact O-CD 3.24Å; D25-K123 WeakPolarHBondContact O-CD 3.34Å; D25-K123 WeakPolarHBondContact O-CE 3.46Å; D25-K123 PolarHBondContact O-NZ 3.43Å; D25-K123 WeakPolarHBondContact OD1-CE 3.45Å; D25-K123 IonicContact OD1-NZ 2.99Å; D25-K123 PolarHBondContact OD1-NZ 3.49Å; D25-K123 IonicContact OD2-NZ 3.39Å; D25-K123 PolarHBondContact OD2-NZ 2.92Å; I28-K123 HydrophobicContact CD1-CB 4.27Å; K61-K123 PolarHBondContact O-N 2.89Å; L62-K123 WeakPolarHBondContact CA-O 3.29Å; L62-K123 HydrophobicContact CD2-CB 4.47Å; G63-K123 PolarHBondContact N-O 3.49Å; L64-K123 PolarHBondContact N-O 2.93Å; G120-K123 PolarHBondContact O-NZ 2.9Å
124I96.7Very high88.7Confident0 Ų034.1 Ų34.10%019%0.192CC..EExtended strand (participates in β ladder)trans-102.1112.7-178.2-54.5178.1000109I26 F27 I28 L64 I66 V111 F114 V126I26-I124 HydrophobicContact CG2-CD1 4.16Å; I26-I124 PolarHBondContact O-N 3.18Å; F27-I124 CarbonylContact C-O 3.56Å; F27-I124 VanDerWaalsContact CA-O 3.29Å; F27-I124 WeakPolarHBondContact CA-O 3.34Å; F27-I124 HydrophobicContact CD1-CB 3.98Å; F27-I124 HydrophobicContact CD1-CG2 4.12Å; F27-I124 HydrophobicContact CE1-CB 4.37Å; F27-I124 HydrophobicContact CE1-CD1 4.19Å; F27-I124 HydrophobicContact CE1-CG2 4.34Å; I28-I124 PolarHBondContact N-O 2.96Å; L64-I124 HydrophobicContact CB-CG1 4.39Å; L64-I124 HydrophobicContact CB-CG2 4.43Å; L64-I124 HydrophobicContact CD2-CD1 4.36Å; L64-I124 HydrophobicContact CD2-CG1 4.37Å; L64-I124 HydrophobicContact CD2-CG2 4.11Å; L64-I124 HydrophobicContact CG-CG2 4.2Å; L64-I124 CarbonylContact O-C 3.54Å; L64-I124 WeakPolarHBondContact O-CA 3.22Å; I66-I124 HydrophobicContact CD1-CG2 3.78Å; I66-I124 HydrophobicContact CG1-CG2 4.06Å; V111-I124 HydrophobicContact CB-CD1 4.19Å; V111-I124 HydrophobicContact CG1-CD1 3.71Å; V111-I124 HydrophobicContact CG2-CD1 4.02Å; F114-I124 HydrophobicContact CB-CD1 4.34Å; F114-I124 HydrophobicContact CD1-CD1 3.63Å; F114-I124 HydrophobicContact CD1-CG1 3.51Å; F114-I124 HydrophobicContact CE1-CD1 4.32Å; F114-I124 HydrophobicContact CE1-CG1 3.7Å; F114-I124 HydrophobicContact CG-CD1 4.23Å; F114-I124 HydrophobicContact CG-CG1 4.28Å; I124-V126 HydrophobicContact CG2-CG2 3.96Å
125G97.4Very high88.9Confident0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-79.3129168.800000110.4I28 L64 I65 I66I28-G125 WeakPolarHBondContact O-CA 3.35Å; L64-G125 PolarHBondContact O-N 3.15Å; I65-G125 CarbonylContact C-O 3.51Å; I65-G125 VanDerWaalsContact CA-O 3.31Å; I65-G125 WeakPolarHBondContact CA-O 3.42Å; I66-G125 PolarHBondContact N-O 3.36Å
126V98Very high89.4Confident0 Ų031.5 Ų31.50%018%0.178CC..EExtended strand (participates in β ladder)trans-124.1126.1176.4-169.60000109.6F27 I28 P29 F30 I66 L68 F107 I124 T135 I139F27-V126 HydrophobicContact CD1-CG2 3.79Å; F27-V126 HydrophobicContact CE1-CG2 4.41Å; I28-V126 PolarHBondContact O-N 3.34Å; P29-V126 WeakPolarHBondContact CA-O 3.29Å; F30-V126 PolarHBondContact N-O 2.85Å; F30-V126 VanDerWaalsContact N-O 3.12Å; I66-V126 HydrophobicContact CB-CG1 4.5Å; L68-V126 HydrophobicContact CD1-CG1 3.79Å; L68-V126 HydrophobicContact CG-CG1 4.21Å; F107-V126 HydrophobicContact CE2-CG1 3.98Å; F107-V126 HydrophobicContact CE2-CG2 4.07Å; F107-V126 HydrophobicContact CZ-CG1 4.45Å; F107-V126 HydrophobicContact CZ-CG2 4.09Å; I124-V126 HydrophobicContact CG2-CG2 3.96Å; V126-T135 HydrophobicContact CB-CG2 4.08Å; V126-T135 HydrophobicContact CG1-CG2 3.97Å; V126-T135 WeakPolarHBondContact O-CG2 3.39Å; V126-I139 HydrophobicContact CB-CD1 4.23Å; V126-I139 HydrophobicContact CG2-CD1 4.33Å; V126-I139 HydrophobicContact CG2-CG1 4.36Å
127H96.9Very high90Very high0 Ų027.7 Ų27.70%016%0.158CC..EExtended strand (participates in β ladder)trans-136.6149.8176.876.885.6000112.3F30 I66 D67 L68 Y75F30-H127 HydrophobicContact CD1-CB 4.2Å; F30-H127 HydrophobicContact CD2-CB 4.12Å; F30-H127 HydrophobicContact CE1-CB 4.1Å; F30-H127 HydrophobicContact CE2-CB 4.04Å; F30-H127 AromaticContact CE2-CD2 3.89Å; F30-H127 HydrophobicContact CG-CB 4.18Å; F30-H127 HydrophobicContact CZ-CB 4.03Å; F30-H127 AromaticContact CZ-CD2 3.6Å; F30-H127 WeakPolarHBondContact O-CA 3.49Å; F30-H127 WeakPolarHBondContact O-CB 3.37Å; I66-H127 PolarHBondContact O-N 3.17Å; I66-H127 VanDerWaalsContact O-N 3.09Å; D67-H127 IonicContact OD1-CE1 2.77Å; D67-H127 PolarHBondContact OD1-CE1 3.25Å; D67-H127 IonicContact OD2-CE1 3.41Å; L68-H127 WeakPolarHBondContact CB-O 3.21Å; L68-H127 PolarHBondContact N-O 2.85Å; Y75-H127 AromaticContact CE1-CE1 3.79Å; Y75-H127 AromaticContact CE1-NE2 3.79Å; Y75-H127 AromaticContact CZ-NE2 3.67Å; Y75-H127 PolarHBondContact OH-NE2 2.91Å
128C93.7Very high90.7Very high4 Ų423.1 Ų23.13%0.02713%0.133CC..  trans-114.6-144.916063.50000107.7T32 L68 T69 G131 R134 T135T32-C128 WeakPolarHBondContact CB-O 3.4Å; T32-C128 PolarHBondContact N-O 3.23Å; L68-C128 HydrophobicContact CB-CB 4.03Å; T69-C128 VanDerWaalsContact CG2-C 3.46Å; C128-G131 PolarHBondContact SG-N 3.38Å; C128-R134 HydrophobicContact CB-CB 3.92Å; C128-T135 PolarHBondContact N-OG1 3.31Å; C128-T135 PolarHBondContact SG-OG1 2.87Å
129T92.7Very high91.6Very high21 Ų2121.3 Ų21.313%0.12912%0.124CC..SBendtrans-67.2-48.6173.7-53.20000111.3P10 T32 R134P10-T129 HydrophobicContact CB-CG2 3.53Å; P10-T129 HydrophobicContact CG-CG2 4.22Å; T32-T129 WeakPolarHBondContact CG2-O 3.46Å; T32-T129 PolarHBondContact N-O 3.42Å; T32-T129 VanDerWaalsContact N-O 3.17Å; T129-R134 PolarHBondContact OG1-NH2 2.9Å
130H92.6Very high93.2Very high31 Ų3115 Ų1514%0.1449%0.085CC..SBendtrans-109.4-16-176-53.696.5000113.8R11 R12 C16 F132 R162 W194R11-H130 PolarHBondContact O-NE2 3.46Å; R12-H130 PolarHBondContact O-CD2 3.11Å; C16-H130 PolarHBondContact SG-O 2.77Å; C16-H130 VanDerWaalsContact SG-O 3.36Å; H130-F132 HydrophobicContact CB-CD2 3.98Å; H130-F132 WeakPolarHBondContact O-CD2 3.46Å; H130-F132 WeakPolarHBondContact O-CE2 3.41Å; H130-R162 PolarHBondContact O-NH2 2.89Å; H130-W194 HydrophobicContact CB-CH2 4.3Å; H130-W194 HydrophobicContact CB-CZ3 4.39Å; H130-W194 AromaticContact CD2-CZ3 3.93Å
131G94.2Very high94.5Very high0 Ų013.2 Ų13.20%07%0.066CC..SBendtrans84.218.7-179.800000115.6F30 C128 T135F30-G131 WeakPolarHBondContact O-CA 3.5Å; C128-G131 PolarHBondContact SG-N 3.38Å; G131-T135 WeakPolarHBondContact CA-OG1 3.45Å
132F94.7Very high95.2Very high0 Ų07.4 Ų7.40%04%0.035CC..SBendtrans-115.6-84.1-175.8-68.1-89.5000112.5H130 G136 R162 P163 G165 Y167 W194H130-F132 HydrophobicContact CB-CD2 3.98Å; H130-F132 WeakPolarHBondContact O-CD2 3.46Å; H130-F132 WeakPolarHBondContact O-CE2 3.41Å; F132-G136 WeakPolarHBondContact O-CA 3.22Å; F132-G136 PolarHBondContact O-N 3.31Å; F132-R162 HydrophobicContact CD1-CG 3.86Å; F132-R162 HydrophobicContact CE1-CG 3.65Å; F132-R162 HydrophobicContact CZ-CG 4.22Å; F132-R162 VanDerWaalsContact CZ-NE 3.34Å; F132-P163 WeakPolarHBondContact CE1-O 3.49Å; F132-G165 WeakPolarHBondContact CD1-O 3.36Å; F132-Y167 HydrophobicContact CB-CD1 3.87Å; F132-Y167 HydrophobicContact CB-CE1 3.35Å; F132-Y167 HydrophobicContact CD1-CD1 4.29Å; F132-Y167 HydrophobicContact CD1-CE1 4.23Å; F132-Y167 AromaticContact CD2-CE1 3.99Å; F132-Y167 HydrophobicContact CD2-CE1 3.99Å; F132-Y167 HydrophobicContact CG-CD1 4.1Å; F132-Y167 AromaticContact CG-CE1 3.61Å; F132-Y167 HydrophobicContact CG-CE1 3.61Å; F132-W194 AromaticContact CD2-CH2 3.72Å; F132-W194 HydrophobicContact CD2-CH2 3.72Å; F132-W194 AromaticContact CD2-CZ2 3.85Å; F132-W194 HydrophobicContact CD2-CZ2 3.85Å; F132-W194 HydrophobicContact CE1-CZ2 4.43Å; F132-W194 AromaticContact CE2-CH2 3.63Å; F132-W194 HydrophobicContact CE2-CH2 3.63Å; F132-W194 AromaticContact CE2-CZ2 3.35Å; F132-W194 HydrophobicContact CE2-CZ2 3.35Å; F132-W194 HydrophobicContact CZ-CH2 4.39Å; F132-W194 AromaticContact CZ-CZ2 3.68Å; F132-W194 HydrophobicContact CZ-CZ2 3.68Å
133N94.2Very high95.1Very high11 Ų115.7 Ų5.76%0.0593%0.027CC..Hα-helixtrans-61.1-61.7-168.2-56.7-59000114.6T135 G136 F137 I166 Y167 K168 Y171N133-T135 VanDerWaalsContact C-N 3.35Å; N133-T135 PolarHBondContact O-N 2.84Å; N133-G136 PolarHBondContact O-N 3.27Å; N133-F137 WeakPolarHBondContact O-CB 3.41Å; N133-F137 PolarHBondContact O-N 3.17Å; N133-I166 WeakPolarHBondContact OD1-CG2 3.28Å; N133-Y167 WeakPolarHBondContact ND2-CE2 3.26Å; N133-Y167 PolarHBondContact ND2-OH 2.65Å; N133-Y167 PolarHBondContact OD1-N 3.14Å; N133-Y167 VanDerWaalsContact OD1-N 3.14Å; N133-K168 HydrophobicContact CB-CD 4.42Å; N133-K168 WeakPolarHBondContact ND2-CD 3.29Å; N133-K168 WeakPolarHBondContact ND2-CG 3.29Å; N133-K168 WeakPolarHBondContact OD1-CB 3.35Å; N133-K168 PolarHBondContact OD1-N 2.74Å; N133-K168 VanDerWaalsContact OD1-N 3.15Å; N133-Y171 HydrophobicContact CB-CD1 3.9Å; N133-Y171 HydrophobicContact CB-CD2 4.04Å; N133-Y171 HydrophobicContact CB-CE1 3.9Å; N133-Y171 HydrophobicContact CB-CE2 4.08Å; N133-Y171 HydrophobicContact CB-CG 3.98Å
134R94.1Very high94.4Very high34 Ų346 Ų613%0.1283%0.03CC..Hα-helixtrans-65.8-37.8179.4-75.7169.9-74.7166.62.2112.7L68 C128 T129 M138 Y171L68-R134 HydrophobicContact CD1-CB 4.32Å; L68-R134 PolarHBondContact O-NH1 3.24Å; C128-R134 HydrophobicContact CB-CB 3.92Å; T129-R134 PolarHBondContact OG1-NH2 2.9Å; R134-M138 WeakPolarHBondContact O-CG 3.34Å; R134-M138 PolarHBondContact O-N 3.33Å; R134-M138 VanDerWaalsContact O-N 3.14Å; R134-Y171 HydrophobicContact CB-CE1 4.46Å; R134-Y171 HydrophobicContact CG-CE1 3.69Å; R134-Y171 WeakPolarHBondContact CG-OH 3.49Å
135T96.7Very high93.9Very high0 Ų09.5 Ų9.50%05%0.046CC..Hα-helixtrans-63.9-50.3178.1-61.90000111P29 V126 C128 G131 N133 M138 I139 F158P29-T135 HydrophobicContact CB-CG2 3.62Å; V126-T135 HydrophobicContact CB-CG2 4.08Å; V126-T135 HydrophobicContact CG1-CG2 3.97Å; V126-T135 WeakPolarHBondContact O-CG2 3.39Å; C128-T135 PolarHBondContact N-OG1 3.31Å; C128-T135 PolarHBondContact SG-OG1 2.87Å; G131-T135 WeakPolarHBondContact CA-OG1 3.45Å; N133-T135 VanDerWaalsContact C-N 3.35Å; N133-T135 PolarHBondContact O-N 2.84Å; T135-M138 PolarHBondContact O-N 2.83Å; T135-I139 HydrophobicContact CG2-CD1 3.96Å; T135-I139 WeakPolarHBondContact O-CG1 3.29Å; T135-I139 PolarHBondContact O-N 3.2Å; T135-F158 HydrophobicContact CG2-CE2 4.36Å
136G96.9Very high93.3Very high0 Ų013.3 Ų13.30%06%0.064CC..Hα-helixtrans-62-43.5176.700000111.8F132 N133 M138 I139 I140 F158F132-G136 WeakPolarHBondContact O-CA 3.22Å; F132-G136 PolarHBondContact O-N 3.31Å; N133-G136 PolarHBondContact O-N 3.27Å; G136-M138 PolarHBondContact O-N 2.68Å; G136-I139 PolarHBondContact O-N 3.49Å; G136-I140 VanDerWaalsContact O-CB 3.25Å; G136-I140 WeakPolarHBondContact O-CB 3.06Å; G136-I140 WeakPolarHBondContact O-CD1 3.4Å; G136-I140 WeakPolarHBondContact O-CG1 3.26Å; G136-I140 PolarHBondContact O-N 2.94Å; G136-F158 VanDerWaalsContact CA-CE1 3.47Å
137F96.6Very high92.2Very high0 Ų015.3 Ų15.30%07%0.074CC..Hα-helixtrans-58.1-48.9178.2-168.8-73.4000112P99 V104 N133 I140 A141 Y171 D174 L175P99-F137 HydrophobicContact CB-CD1 3.78Å; P99-F137 HydrophobicContact CB-CE1 3.97Å; P99-F137 HydrophobicContact CG-CB 4.09Å; P99-F137 HydrophobicContact CG-CD1 3.51Å; P99-F137 HydrophobicContact CG-CE1 4.12Å; P99-F137 HydrophobicContact CG-CG 3.82Å; V104-F137 HydrophobicContact CG2-CD1 4.36Å; V104-F137 HydrophobicContact CG2-CE1 3.85Å; N133-F137 WeakPolarHBondContact O-CB 3.41Å; N133-F137 PolarHBondContact O-N 3.17Å; F137-I140 PolarHBondContact O-N 3.25Å; F137-A141 VanDerWaalsContact O-CB 3.26Å; F137-A141 WeakPolarHBondContact O-CB 3.42Å; F137-A141 PolarHBondContact O-N 3.2Å; F137-Y171 HydrophobicContact CB-CD1 4.04Å; F137-Y171 AromaticContact CD2-CD1 3.94Å; F137-Y171 HydrophobicContact CD2-CD1 3.94Å; F137-Y171 HydrophobicContact CG-CD1 4.33Å; F137-D174 HydrophobicContact CE2-CB 4Å; F137-L175 HydrophobicContact CD1-CD2 4.26Å; F137-L175 HydrophobicContact CD2-CD1 4.11Å; F137-L175 HydrophobicContact CD2-CD2 3.76Å; F137-L175 HydrophobicContact CD2-CG 3.59Å; F137-L175 HydrophobicContact CE1-CD2 4.2Å; F137-L175 HydrophobicContact CE2-CD2 3.71Å; F137-L175 HydrophobicContact CE2-CG 3.6Å; F137-L175 HydrophobicContact CG-CD2 4.03Å; F137-L175 HydrophobicContact CG-CG 4.29Å; F137-L175 HydrophobicContact CZ-CD2 3.93Å; F137-L175 HydrophobicContact CZ-CG 4.3Å
138M97.1Very high90.7Very high0 Ų020.9 Ų20.90%010%0.104CC..Hα-helixtrans-63.7-44.5179.2-70.2-59.6-160.800112.3L68 I90 P99 Q103 V104 F107 R134 T135 G136 Y142L68-M138 HydrophobicContact CD1-CB 4.25Å; L68-M138 HydrophobicContact CD1-CG 3.73Å; L68-M138 HydrophobicContact CD2-CE 4.26Å; L68-M138 HydrophobicContact CD2-CG 4.12Å; I90-M138 HydrophobicContact CG2-CE 4.34Å; P99-M138 HydrophobicContact CB-CE 3.67Å; P99-M138 HydrophobicContact CB-SD 3.99Å; P99-M138 HydrophobicContact CG-CE 4.18Å; P99-M138 HydrophobicContact CG-SD 4.36Å; Q103-M138 HydrophobicContact CB-CE 3.79Å; V104-M138 HydrophobicContact CG2-SD 4.05Å; F107-M138 HydrophobicContact CB-CE 4.49Å; F107-M138 HydrophobicContact CB-SD 3.94Å; F107-M138 HydrophobicContact CD1-CB 3.99Å; F107-M138 HydrophobicContact CD2-CB 3.94Å; F107-M138 HydrophobicContact CD2-CG 4.23Å; F107-M138 HydrophobicContact CE1-CB 3.96Å; F107-M138 VanDerWaalsContact CE1-O 3.29Å; F107-M138 WeakPolarHBondContact CE1-O 3.06Å; F107-M138 HydrophobicContact CE2-CB 3.91Å; F107-M138 HydrophobicContact CG-CB 3.98Å; F107-M138 HydrophobicContact CG-CG 4.31Å; F107-M138 HydrophobicContact CG-SD 4.13Å; F107-M138 HydrophobicContact CZ-CB 3.93Å; R134-M138 WeakPolarHBondContact O-CG 3.34Å; R134-M138 PolarHBondContact O-N 3.33Å; R134-M138 VanDerWaalsContact O-N 3.14Å; T135-M138 PolarHBondContact O-N 2.83Å; G136-M138 PolarHBondContact O-N 2.68Å; M138-Y142 PolarHBondContact O-N 2.84Å
139I97.8Very high89.5Confident0 Ų021.8 Ų21.80%011%0.107CC..Hα-helixtrans-64.2-48.5178.5-68.6171.4000110.1I23 F27 P29 F107 V126 T135 G136 A141 Y142 L143 F158I23-I139 HydrophobicContact CD1-CD1 4.21Å; I23-I139 HydrophobicContact CD1-CG2 4.05Å; I23-I139 HydrophobicContact CG2-CG2 4.18Å; F27-I139 HydrophobicContact CB-CD1 3.91Å; F27-I139 HydrophobicContact CB-CG1 4.27Å; F27-I139 HydrophobicContact CD1-CG1 4.26Å; F27-I139 HydrophobicContact CD2-CG1 4.37Å; F27-I139 HydrophobicContact CD2-CG2 3.88Å; F27-I139 HydrophobicContact CE2-CG2 4.32Å; F27-I139 HydrophobicContact CG-CD1 4.25Å; F27-I139 HydrophobicContact CG-CG1 4.06Å; F27-I139 HydrophobicContact CG-CG2 4.33Å; P29-I139 HydrophobicContact CB-CD1 4.21Å; F107-I139 HydrophobicContact CZ-CG1 4.41Å; V126-I139 HydrophobicContact CB-CD1 4.23Å; V126-I139 HydrophobicContact CG2-CD1 4.33Å; V126-I139 HydrophobicContact CG2-CG1 4.36Å; T135-I139 HydrophobicContact CG2-CD1 3.96Å; T135-I139 WeakPolarHBondContact O-CG1 3.29Å; T135-I139 PolarHBondContact O-N 3.2Å; G136-I139 PolarHBondContact O-N 3.49Å; I139-A141 PolarHBondContact O-N 3.1Å; I139-Y142 WeakPolarHBondContact O-CB 3.35Å; I139-Y142 PolarHBondContact O-N 3.39Å; I139-Y142 VanDerWaalsContact O-N 3.16Å; I139-L143 HydrophobicContact CG2-CD1 4.38Å; I139-L143 HydrophobicContact CG2-CG 4.24Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 3.28Å; I139-F158 HydrophobicContact CB-CD2 4.48Å; I139-F158 HydrophobicContact CD1-CD2 4.35Å; I139-F158 HydrophobicContact CD1-CE2 4.13Å; I139-F158 HydrophobicContact CG2-CD2 4.46Å
140I96Very high88.2Confident0 Ų020.9 Ų20.90%010%0.102CC..Hα-helixtrans-61-44.8179.7-69.4162.2000110.8G136 F137 Y142 L143 V144 V151 A154 V155 F158 I166 L175G136-I140 VanDerWaalsContact O-CB 3.25Å; G136-I140 WeakPolarHBondContact O-CB 3.06Å; G136-I140 WeakPolarHBondContact O-CD1 3.4Å; G136-I140 WeakPolarHBondContact O-CG1 3.26Å; G136-I140 PolarHBondContact O-N 2.94Å; F137-I140 PolarHBondContact O-N 3.25Å; I140-Y142 VanDerWaalsContact C-N 3.29Å; I140-Y142 PolarHBondContact O-N 2.94Å; I140-L143 WeakPolarHBondContact O-CB 3.42Å; I140-L143 PolarHBondContact O-N 2.97Å; I140-L143 VanDerWaalsContact O-N 3.14Å; I140-V144 HydrophobicContact CG2-CG2 4.38Å; I140-V144 WeakPolarHBondContact O-CG2 3.42Å; I140-V144 PolarHBondContact O-N 2.97Å; I140-V151 HydrophobicContact CG2-CG2 4.4Å; I140-A154 HydrophobicContact CB-CB 4.44Å; I140-A154 HydrophobicContact CG1-CB 4.44Å; I140-A154 HydrophobicContact CG2-CB 3.81Å; I140-V155 HydrophobicContact CD1-CB 4.32Å; I140-V155 HydrophobicContact CD1-CG2 3.75Å; I140-V155 HydrophobicContact CG2-CG2 4.27Å; I140-F158 HydrophobicContact CD1-CB 3.97Å; I140-F158 HydrophobicContact CD1-CD1 4.41Å; I140-F158 HydrophobicContact CD1-CG 4.28Å; I140-F158 HydrophobicContact CG1-CB 3.95Å; I140-F158 HydrophobicContact CG1-CG 4.48Å; I140-I166 HydrophobicContact CD1-CD1 3.66Å; I140-I166 HydrophobicContact CD1-CG1 4.38Å; I140-L175 HydrophobicContact CB-CD1 4.23Å; I140-L175 HydrophobicContact CB-CD2 4.26Å; I140-L175 HydrophobicContact CD1-CD1 3.83Å; I140-L175 HydrophobicContact CG2-CD1 3.93Å; I140-L175 HydrophobicContact CG2-CD2 3.83Å; I140-L175 HydrophobicContact CG2-CG 4.42Å
141A95.1Very high87.7Confident0 Ų019.7 Ų19.70%010%0.097CC..Hα-helixtrans-57.2-43.7175.600000111.4V104 F137 I139 V144 E145 Y179V104-A141 HydrophobicContact CG1-CB 3.67Å; V104-A141 HydrophobicContact CG2-CB 4.44Å; F137-A141 VanDerWaalsContact O-CB 3.26Å; F137-A141 WeakPolarHBondContact O-CB 3.42Å; F137-A141 PolarHBondContact O-N 3.2Å; I139-A141 PolarHBondContact O-N 3.1Å; A141-V144 PolarHBondContact O-N 3.3Å; A141-E145 WeakPolarHBondContact O-CB 3.38Å; A141-E145 WeakPolarHBondContact O-CG 3.3Å; A141-E145 PolarHBondContact O-N 2.98Å; A141-Y179 HydrophobicContact CB-CE2 4.03Å
142Y94.7Very high86.9Confident6 Ų622.3 Ų22.32%0.02411%0.111CC..Hα-helixtrans-62.8-44.3173.8-177.1-86.9000112.9I26 F27 F107 I108 V111 N112 L115 M138 I139 I140 V144 E146 L147I26-Y142 HydrophobicContact CD1-CE1 4.48Å; F27-Y142 AromaticContact CE2-CD1 3.47Å; F27-Y142 HydrophobicContact CE2-CD1 3.47Å; F27-Y142 VanDerWaalsContact CE2-CD1 3.47Å; F27-Y142 AromaticContact CE2-CE1 3.95Å; F27-Y142 HydrophobicContact CE2-CE1 3.95Å; F27-Y142 HydrophobicContact CE2-CG 4.13Å; F27-Y142 AromaticContact CZ-CD1 3.46Å; F27-Y142 HydrophobicContact CZ-CD1 3.46Å; F27-Y142 VanDerWaalsContact CZ-CD1 3.46Å; F27-Y142 HydrophobicContact CZ-CD2 4.35Å; F27-Y142 AromaticContact CZ-CE1 3.89Å; F27-Y142 HydrophobicContact CZ-CE1 3.89Å; F27-Y142 AromaticContact CZ-CG 3.73Å; F27-Y142 HydrophobicContact CZ-CG 3.73Å; F107-Y142 HydrophobicContact CE1-CG 4.43Å; I108-Y142 HydrophobicContact CB-CD2 4.35Å; I108-Y142 HydrophobicContact CG1-CD2 3.92Å; V111-Y142 HydrophobicContact CB-CD2 3.9Å; V111-Y142 HydrophobicContact CB-CE2 3.54Å; V111-Y142 HydrophobicContact CG1-CD1 4.49Å; V111-Y142 HydrophobicContact CG1-CD2 3.84Å; V111-Y142 HydrophobicContact CG1-CE1 3.95Å; V111-Y142 HydrophobicContact CG1-CE2 3.23Å; V111-Y142 HydrophobicContact CG1-CG 4.45Å; V111-Y142 HydrophobicContact CG2-CD2 4.33Å; V111-Y142 HydrophobicContact CG2-CE2 4.44Å; N112-Y142 VanDerWaalsContact OD1-CE2 3.26Å; N112-Y142 WeakPolarHBondContact OD1-CE2 3.42Å; N112-Y142 PolarHBondContact OD1-OH 2.92Å; L115-Y142 WeakPolarHBondContact CD1-OH 3.43Å; M138-Y142 PolarHBondContact O-N 2.84Å; I139-Y142 WeakPolarHBondContact O-CB 3.35Å; I139-Y142 PolarHBondContact O-N 3.39Å; I139-Y142 VanDerWaalsContact O-N 3.16Å; I140-Y142 VanDerWaalsContact C-N 3.29Å; I140-Y142 PolarHBondContact O-N 2.94Å; Y142-V144 PolarHBondContact O-N 2.81Å; Y142-E146 HydrophobicContact CD1-CB 4.48Å; Y142-E146 HydrophobicContact CD2-CB 4.2Å; Y142-E146 HydrophobicContact CD2-CG 3.88Å; Y142-E146 HydrophobicContact CE1-CB 4.18Å; Y142-E146 HydrophobicContact CE2-CB 3.83Å; Y142-E146 HydrophobicContact CE2-CG 3.6Å; Y142-E146 HydrophobicContact CG-CB 4.49Å; Y142-E146 WeakPolarHBondContact O-CB 3.27Å; Y142-E146 PolarHBondContact O-N 2.88Å; Y142-L147 HydrophobicContact CD1-CD1 4.34Å; Y142-L147 HydrophobicContact CD1-CG 4.35Å; Y142-L147 HydrophobicContact CE1-CD1 3.97Å; Y142-L147 HydrophobicContact CE1-CD2 4.34Å; Y142-L147 HydrophobicContact CE1-CG 3.9Å; Y142-L147 PolarHBondContact O-N 2.87Å
143L87.6Confident85.9Confident0 Ų023.8 Ų23.80%012%0.119CC..Hα-helixtrans-58.8-37.7177.4-64.8-168.9000111.6I23 L24 F27 I139 I140 L147 N148 Y149 A154 I157I23-L143 HydrophobicContact CG2-CD1 4.21Å; I23-L143 HydrophobicContact CG2-CD2 4.45Å; L24-L143 HydrophobicContact CD1-CD2 3.45Å; L24-L143 VanDerWaalsContact CD1-CD2 3.45Å; L24-L143 HydrophobicContact CG-CD2 4.25Å; F27-L143 HydrophobicContact CE2-CD2 4.48Å; I139-L143 HydrophobicContact CG2-CD1 4.38Å; I139-L143 HydrophobicContact CG2-CG 4.24Å; I139-L143 VanDerWaalsContact O-CG 3.31Å; I139-L143 WeakPolarHBondContact O-CG 3.39Å; I139-L143 PolarHBondContact O-N 3.28Å; I140-L143 WeakPolarHBondContact O-CB 3.42Å; I140-L143 PolarHBondContact O-N 2.97Å; I140-L143 VanDerWaalsContact O-N 3.14Å; L143-L147 HydrophobicContact CD2-CD1 3.73Å; L143-L147 CarbonylContact O-C 3.54Å; L143-L147 WeakPolarHBondContact O-CA 3.49Å; L143-L147 WeakPolarHBondContact O-CB 3.14Å; L143-L147 PolarHBondContact O-N 3.16Å; L143-N148 PolarHBondContact O-N 2.89Å; L143-Y149 WeakPolarHBondContact O-CB 3.41Å; L143-Y149 PolarHBondContact O-N 2.96Å; L143-A154 HydrophobicContact CB-CB 3.83Å; L143-A154 HydrophobicContact CD1-CB 3.96Å; L143-I157 HydrophobicContact CD1-CB 4.35Å; L143-I157 HydrophobicContact CD1-CG2 4.02Å
144V79.9Confident85.5Confident20 Ų2023.2 Ų23.212%0.12112%0.116CC..Hα-helixtrans-75.1-55178.31750000111.4I140 A141 Y142 N148 V151 A154 Y179I140-V144 HydrophobicContact CG2-CG2 4.38Å; I140-V144 WeakPolarHBondContact O-CG2 3.42Å; I140-V144 PolarHBondContact O-N 2.97Å; A141-V144 PolarHBondContact O-N 3.3Å; Y142-V144 PolarHBondContact O-N 2.81Å; V144-N148 WeakPolarHBondContact O-CA 3.21Å; V144-N148 PolarHBondContact O-N 3.44Å; V144-V151 HydrophobicContact CG2-CB 4.28Å; V144-A154 HydrophobicContact CG2-CB 4.16Å; V144-Y179 HydrophobicContact CB-CD1 4.41Å; V144-Y179 HydrophobicContact CB-CG 4.34Å; V144-Y179 HydrophobicContact CG1-CD1 3.67Å; V144-Y179 HydrophobicContact CG1-CE1 4.41Å; V144-Y179 HydrophobicContact CG1-CG 3.79Å; V144-Y179 HydrophobicContact CG2-CG 4.47Å
145E84.6Confident85.3Confident72 Ų7222.1 Ų22.134%0.33611%0.113SC..Hα-helixtrans-73.2-38.1-170.2-68.7-171.1-150.500113I108 A141 Y179I108-E145 HydrophobicContact CD1-CB 3.81Å; I108-E145 HydrophobicContact CD1-CG 4.18Å; I108-E145 WeakPolarHBondContact CD1-OE2 3.35Å; A141-E145 WeakPolarHBondContact O-CB 3.38Å; A141-E145 WeakPolarHBondContact O-CG 3.3Å; A141-E145 PolarHBondContact O-N 2.98Å; E145-Y179 HydrophobicContact CG-CE1 3.7Å; E145-Y179 WeakPolarHBondContact OE1-CE1 3.35Å; E145-Y179 PolarHBondContact OE1-OH 2.75Å
146E84.5Confident84.8Confident80 Ų8027 Ų2737%0.37414%0.136SC..THydrogen-bonded Turntrans-104.1-33.9-173.7-66.2-61.6136.600113.4I108 N112 Y142I108-E146 HydrophobicContact CG1-CG 4.37Å; I108-E146 HydrophobicContact CG2-CG 3.51Å; I108-E146 VanDerWaalsContact CG2-OE1 3.26Å; I108-E146 WeakPolarHBondContact CG2-OE1 3.19Å; N112-E146 PolarHBondContact ND2-OE2 2.82Å; Y142-E146 HydrophobicContact CD1-CB 4.48Å; Y142-E146 HydrophobicContact CD2-CB 4.2Å; Y142-E146 HydrophobicContact CD2-CG 3.88Å; Y142-E146 HydrophobicContact CE1-CB 4.18Å; Y142-E146 HydrophobicContact CE2-CB 3.83Å; Y142-E146 HydrophobicContact CE2-CG 3.6Å; Y142-E146 HydrophobicContact CG-CB 4.49Å; Y142-E146 WeakPolarHBondContact O-CB 3.27Å; Y142-E146 PolarHBondContact O-N 2.88Å
147L75.3Confident84.3Confident42 Ų4228.8 Ų28.822%0.2215%0.145CC..THydrogen-bonded Turntrans-102.72.9-177.7-55.2-175.7000113.2L24 I26 Y142 L143 Y149L24-L147 HydrophobicContact CD1-CD1 3.63Å; I26-L147 HydrophobicContact CD1-CD1 3.88Å; Y142-L147 HydrophobicContact CD1-CD1 4.34Å; Y142-L147 HydrophobicContact CD1-CG 4.35Å; Y142-L147 HydrophobicContact CE1-CD1 3.97Å; Y142-L147 HydrophobicContact CE1-CD2 4.34Å; Y142-L147 HydrophobicContact CE1-CG 3.9Å; Y142-L147 PolarHBondContact O-N 2.87Å; L143-L147 HydrophobicContact CD2-CD1 3.73Å; L143-L147 CarbonylContact O-C 3.54Å; L143-L147 WeakPolarHBondContact O-CA 3.49Å; L143-L147 WeakPolarHBondContact O-CB 3.14Å; L143-L147 PolarHBondContact O-N 3.16Å; L147-Y149 HydrophobicContact CB-CD2 3.64Å; L147-Y149 HydrophobicContact CB-CE2 3.82Å; L147-Y149 WeakPolarHBondContact O-CD2 3.48Å; L147-Y149 PolarHBondContact O-N 3.06Å
148N65.9Low84.3Confident118 Ų11828.8 Ų28.863%0.63115%0.145SC*.  trans52.936.4178-68.5-25.1000113.4L143 V144 R346L143-N148 PolarHBondContact O-N 2.89Å; V144-N148 WeakPolarHBondContact O-CA 3.21Å; V144-N148 PolarHBondContact O-N 3.44Å; N148-R346 PolarHBondContact O-NH1 2.82Å
149Y68.4Low84.1Confident22 Ų2229.9 Ų29.99%0.08615%0.153CC..  trans-79.9161.3169.1-78-103000111.2L24 L143 L147 I153 I157 R346 V644L24-Y149 HydrophobicContact CD1-CD2 4.23Å; L24-Y149 HydrophobicContact CD1-CE1 4.44Å; L24-Y149 HydrophobicContact CD1-CE2 3.43Å; L24-Y149 VanDerWaalsContact CD1-CE2 3.43Å; L24-Y149 WeakPolarHBondContact CD1-OH 3.41Å; L24-Y149 VanDerWaalsContact CD2-OH 3.31Å; L24-Y149 WeakPolarHBondContact CD2-OH 3.47Å; L143-Y149 WeakPolarHBondContact O-CB 3.41Å; L143-Y149 PolarHBondContact O-N 2.96Å; L147-Y149 HydrophobicContact CB-CD2 3.64Å; L147-Y149 HydrophobicContact CB-CE2 3.82Å; L147-Y149 WeakPolarHBondContact O-CD2 3.48Å; L147-Y149 PolarHBondContact O-N 3.06Å; Y149-I153 HydrophobicContact CD1-CB 4.46Å; Y149-I153 HydrophobicContact CD1-CG2 3.8Å; Y149-I153 HydrophobicContact CE1-CG2 4.32Å; Y149-I157 HydrophobicContact CD1-CD1 3.55Å; Y149-I157 HydrophobicContact CE1-CD1 3.37Å; Y149-R346 VanDerWaalsContact C-NH1 3.3Å; Y149-V644 HydrophobicContact CD1-CG1 4Å; Y149-V644 HydrophobicContact CD2-CG1 4.21Å; Y149-V644 HydrophobicContact CE1-CG1 3.68Å; Y149-V644 HydrophobicContact CE1-CG2 4.13Å; Y149-V644 HydrophobicContact CE2-CG1 3.91Å; Y149-V644 HydrophobicContact CE2-CG2 4.01Å; Y149-V644 HydrophobicContact CG-CG1 4.26Å; Y149-V644 VanDerWaalsContact CZ-CG2 3.5Å; Y149-V644 WeakPolarHBondContact OH-CG2 3.39Å
150G64.9Low83.7Confident2 Ų234.9 Ų34.92%0.02118%0.179CC..  trans-81.1146.5173.400000108.7D152 I153 A154G150-D152 WeakPolarHBondContact CA-OD1 3.49Å; G150-D152 PolarHBondContact O-N 2.99Å; G150-I153 PolarHBondContact O-N 3.05Å; G150-I153 VanDerWaalsContact O-N 3.15Å; G150-A154 WeakPolarHBondContact O-CB 3.46Å; G150-A154 PolarHBondContact O-N 3.49Å
151V81.6Confident83.6Confident6 Ų635.3 Ų35.34%0.03618%0.183CC..Hα-helixtrans-57.8-37.2178.363.40000111.2I140 V144 V155 L175 F176I140-V151 HydrophobicContact CG2-CG2 4.4Å; V144-V151 HydrophobicContact CG2-CB 4.28Å; V151-V155 HydrophobicContact CG2-CG2 4.32Å; V151-V155 VanDerWaalsContact O-CB 3.24Å; V151-V155 WeakPolarHBondContact O-CB 3.47Å; V151-V155 WeakPolarHBondContact O-CG2 3.35Å; V151-V155 PolarHBondContact O-N 3.29Å; V151-L175 HydrophobicContact CG2-CB 3.82Å; V151-F176 HydrophobicContact CG1-CD1 3.73Å; V151-F176 HydrophobicContact CG1-CD2 4.46Å; V151-F176 HydrophobicContact CG1-CE1 3.68Å; V151-F176 HydrophobicContact CG1-CE2 4.41Å; V151-F176 HydrophobicContact CG1-CG 4.15Å; V151-F176 HydrophobicContact CG1-CZ 4.03Å; V151-F176 HydrophobicContact CG2-CD2 4.02Å; V151-F176 HydrophobicContact CG2-CE2 4.02Å; V151-F176 HydrophobicContact CG2-CG 4.37Å; V151-F176 HydrophobicContact CG2-CZ 4.38Å
152D77.7Confident83.6Confident55 Ų5535.5 Ų35.529%0.29418%0.183SC..Hα-helixtrans-61-51.6173.463.4-37000112.5G150 V155 Q156 F176 Y652G150-D152 WeakPolarHBondContact CA-OD1 3.49Å; G150-D152 PolarHBondContact O-N 2.99Å; D152-V155 PolarHBondContact O-N 3.48Å; D152-Q156 PolarHBondContact O-N 2.84Å; D152-F176 HydrophobicContact CB-CE1 4.42Å; D152-F176 HydrophobicContact CB-CZ 4.27Å; D152-Y652 PolarHBondContact OD2-OH 3.21Å
153I75.2Confident83.5Confident31 Ų3139.4 Ų39.416%0.15921%0.21CC..Hα-helixtrans-66.2-42179-57.2178.1000110.5Y149 G150 Q156 I157 E648 Y652Y149-I153 HydrophobicContact CD1-CB 4.46Å; Y149-I153 HydrophobicContact CD1-CG2 3.8Å; Y149-I153 HydrophobicContact CE1-CG2 4.32Å; G150-I153 PolarHBondContact O-N 3.05Å; G150-I153 VanDerWaalsContact O-N 3.15Å; I153-Q156 PolarHBondContact O-N 3.41Å; I153-I157 HydrophobicContact CG2-CD1 3.83Å; I153-I157 HydrophobicContact CG2-CG1 4.29Å; I153-I157 WeakPolarHBondContact O-CB 3.32Å; I153-I157 VanDerWaalsContact O-CG1 3.27Å; I153-I157 WeakPolarHBondContact O-CG1 3.41Å; I153-I157 PolarHBondContact O-N 3.14Å; I153-E648 HydrophobicContact CD1-CB 4.45Å; I153-E648 HydrophobicContact CD1-CG 4.37Å; I153-Y652 HydrophobicContact CD1-CD2 4.24Å; I153-Y652 HydrophobicContact CD1-CE2 3.81Å; I153-Y652 HydrophobicContact CG1-CE2 3.85Å
154A84.4Confident83.7Confident0 Ų041.6 Ų41.60%022%0.223CC..Hα-helixtrans-65.8-41.1-179.900000111.3I140 L143 V144 G150 Q156 I157 F158I140-A154 HydrophobicContact CB-CB 4.44Å; I140-A154 HydrophobicContact CG1-CB 4.44Å; I140-A154 HydrophobicContact CG2-CB 3.81Å; L143-A154 HydrophobicContact CB-CB 3.83Å; L143-A154 HydrophobicContact CD1-CB 3.96Å; V144-A154 HydrophobicContact CG2-CB 4.16Å; G150-A154 WeakPolarHBondContact O-CB 3.46Å; G150-A154 PolarHBondContact O-N 3.49Å; A154-Q156 VanDerWaalsContact C-N 3.33Å; A154-I157 PolarHBondContact O-N 2.98Å; A154-F158 PolarHBondContact O-N 3.41Å
155V91.3Very high84.4Confident11 Ų1140.6 Ų40.67%0.06722%0.218CC..Hα-helixtrans-60-43.9170.9167.20000110.5I140 V151 D152 F158 S159 L172 L175 F176 P186I140-V155 HydrophobicContact CD1-CB 4.32Å; I140-V155 HydrophobicContact CD1-CG2 3.75Å; I140-V155 HydrophobicContact CG2-CG2 4.27Å; V151-V155 HydrophobicContact CG2-CG2 4.32Å; V151-V155 VanDerWaalsContact O-CB 3.24Å; V151-V155 WeakPolarHBondContact O-CB 3.47Å; V151-V155 WeakPolarHBondContact O-CG2 3.35Å; V151-V155 PolarHBondContact O-N 3.29Å; D152-V155 PolarHBondContact O-N 3.48Å; V155-F158 PolarHBondContact O-N 2.95Å; V155-S159 WeakPolarHBondContact O-CB 3.21Å; V155-S159 PolarHBondContact O-N 2.75Å; V155-S159 PolarHBondContact O-OG 3.17Å; V155-L172 HydrophobicContact CG1-CD2 4Å; V155-L172 HydrophobicContact CG2-CD2 4.15Å; V155-L175 HydrophobicContact CG2-CD1 4.31Å; V155-F176 HydrophobicContact CG2-CE2 4.03Å; V155-P186 HydrophobicContact CG1-CG 4.37Å
156Q86Confident84.9Confident103 Ų10337.3 Ų37.348%0.48120%0.202SC..Hα-helixtrans-64.4-45.7177.5-169.862.451.500112D152 I153 A154 F158 S159 D160D152-Q156 PolarHBondContact O-N 2.84Å; I153-Q156 PolarHBondContact O-N 3.41Å; A154-Q156 VanDerWaalsContact C-N 3.33Å; Q156-F158 VanDerWaalsContact C-N 3.28Å; Q156-F158 PolarHBondContact O-N 2.85Å; Q156-S159 PolarHBondContact O-N 3.28Å; Q156-S159 VanDerWaalsContact O-N 3.15Å; Q156-D160 PolarHBondContact NE2-OD1 2.89Å; Q156-D160 WeakPolarHBondContact O-CB 3.03Å; Q156-D160 PolarHBondContact O-N 3.17Å
157I86.8Confident85.3Confident36 Ų3634.4 Ų34.419%0.18519%0.188CC..Hα-helixtrans-56.3-44.8176.7-73167.1000110.6I23 L24 L143 Y149 I153 A154 A161I23-I157 HydrophobicContact CG2-CG2 3.7Å; L24-I157 HydrophobicContact CD2-CD1 4.47Å; L143-I157 HydrophobicContact CD1-CB 4.35Å; L143-I157 HydrophobicContact CD1-CG2 4.02Å; Y149-I157 HydrophobicContact CD1-CD1 3.55Å; Y149-I157 HydrophobicContact CE1-CD1 3.37Å; I153-I157 HydrophobicContact CG2-CD1 3.83Å; I153-I157 HydrophobicContact CG2-CG1 4.29Å; I153-I157 WeakPolarHBondContact O-CB 3.32Å; I153-I157 VanDerWaalsContact O-CG1 3.27Å; I153-I157 WeakPolarHBondContact O-CG1 3.41Å; I153-I157 PolarHBondContact O-N 3.14Å; A154-I157 PolarHBondContact O-N 2.98Å; I157-A161 WeakPolarHBondContact O-CB 3.39Å; I157-A161 PolarHBondContact O-N 3.42Å; I157-A161 VanDerWaalsContact O-N 3.15Å
158F95.3Very high86.1Confident0 Ų034.7 Ų34.70%019%0.187CC..Hα-helixtrans-67.6-42.8177.3-178.5-98.4000112I23 P29 T135 G136 I139 I140 A154 V155 Q156 D160 A161 R162 I166I23-F158 HydrophobicContact CD1-CD2 3.67Å; I23-F158 HydrophobicContact CD1-CE2 4.3Å; P29-F158 HydrophobicContact CB-CE2 3.91Å; P29-F158 HydrophobicContact CB-CZ 4.5Å; P29-F158 HydrophobicContact CG-CE2 4.13Å; T135-F158 HydrophobicContact CG2-CE2 4.36Å; G136-F158 VanDerWaalsContact CA-CE1 3.47Å; I139-F158 HydrophobicContact CB-CD2 4.48Å; I139-F158 HydrophobicContact CD1-CD2 4.35Å; I139-F158 HydrophobicContact CD1-CE2 4.13Å; I139-F158 HydrophobicContact CG2-CD2 4.46Å; I140-F158 HydrophobicContact CD1-CB 3.97Å; I140-F158 HydrophobicContact CD1-CD1 4.41Å; I140-F158 HydrophobicContact CD1-CG 4.28Å; I140-F158 HydrophobicContact CG1-CB 3.95Å; I140-F158 HydrophobicContact CG1-CG 4.48Å; A154-F158 PolarHBondContact O-N 3.41Å; V155-F158 PolarHBondContact O-N 2.95Å; Q156-F158 VanDerWaalsContact C-N 3.28Å; Q156-F158 PolarHBondContact O-N 2.85Å; F158-D160 PolarHBondContact O-N 2.99Å; F158-A161 PolarHBondContact O-N 2.89Å; F158-R162 HydrophobicContact CE1-CB 4.34Å; F158-R162 HydrophobicContact CE2-CB 4.2Å; F158-R162 HydrophobicContact CZ-CB 4Å; F158-R162 HydrophobicContact CZ-CG 4.05Å; F158-R162 PolarHBondContact O-N 2.83Å; F158-I166 HydrophobicContact CD1-CG1 4.2Å; F158-I166 HydrophobicContact CE1-CG1 4.1Å
159S94.1Very high87.3Confident24 Ų2431.1 Ų31.117%0.16817%0.174CC..Hα-helixtrans-63.5-39.5179.1-62.50000112.6V155 Q156 R162 P163V155-S159 WeakPolarHBondContact O-CB 3.21Å; V155-S159 PolarHBondContact O-N 2.75Å; V155-S159 PolarHBondContact O-OG 3.17Å; Q156-S159 PolarHBondContact O-N 3.28Å; Q156-S159 VanDerWaalsContact O-N 3.15Å; S159-R162 CarbonylContact O-C 3.35Å; S159-P163 WeakPolarHBondContact O-CA 3.21Å; S159-P163 WeakPolarHBondContact O-CG 3.45Å; S159-P163 VanDerWaalsContact O-N 3.1Å
160D89.5Confident88.4Confident104 Ų10432.2 Ų32.256%0.55618%0.182SC*.Hα-helixtrans-67-41.6176.3-72.5-11000111.5Q156 F158Q156-D160 PolarHBondContact NE2-OD1 2.89Å; Q156-D160 WeakPolarHBondContact O-CB 3.03Å; Q156-D160 PolarHBondContact O-N 3.17Å; F158-D160 PolarHBondContact O-N 2.99Å
161A93.2Very high89.8Confident9 Ų932.4 Ų32.47%0.07418%0.182CC..Hα-helixtrans-76-29.7179.700000112.9G20 D21 I23 I157 F158G20-A161 CarbonylContact C-O 3.5Å; G20-A161 WeakPolarHBondContact CA-O 3.39Å; D21-A161 HydrophobicContact CB-CB 4.27Å; D21-A161 PolarHBondContact N-O 2.63Å; I23-A161 HydrophobicContact CD1-CB 3.87Å; I23-A161 HydrophobicContact CG1-CB 3.38Å; I157-A161 WeakPolarHBondContact O-CB 3.39Å; I157-A161 PolarHBondContact O-N 3.42Å; I157-A161 VanDerWaalsContact O-N 3.15Å; F158-A161 PolarHBondContact O-N 2.89Å
162R94.6Very high90.4Very high5 Ų532.3 Ų32.32%0.01918%0.181CC..SBendtrans-135.469.8-178.2-171.259.8177.5174-2.6111.2P17 M19 P29 H130 F132 F158 S159 G165P17-R162 PolarHBondContact O-NH1 3.31Å; P17-R162 PolarHBondContact O-NH2 3.17Å; M19-R162 PolarHBondContact O-NH1 3.31Å; P29-R162 HydrophobicContact CB-CG 4.34Å; P29-R162 HydrophobicContact CG-CB 3.85Å; P29-R162 HydrophobicContact CG-CG 4.11Å; H130-R162 PolarHBondContact O-NH2 2.89Å; F132-R162 HydrophobicContact CD1-CG 3.86Å; F132-R162 HydrophobicContact CE1-CG 3.65Å; F132-R162 HydrophobicContact CZ-CG 4.22Å; F132-R162 VanDerWaalsContact CZ-NE 3.34Å; F158-R162 HydrophobicContact CE1-CB 4.34Å; F158-R162 HydrophobicContact CE2-CB 4.2Å; F158-R162 HydrophobicContact CZ-CB 4Å; F158-R162 HydrophobicContact CZ-CG 4.05Å; F158-R162 PolarHBondContact O-N 2.83Å; S159-R162 CarbonylContact O-C 3.35Å; R162-G165 WeakPolarHBondContact O-CA 3.38Å; R162-G165 PolarHBondContact O-N 3.35Å
163P92.7Very high91.1Very high88 Ų8834.2 Ų34.257%0.57119%0.188SC*.THydrogen-bonded Turntrans-59137-175.8-25.334.8000113.3F132 S159F132-P163 WeakPolarHBondContact CE1-O 3.49Å; S159-P163 WeakPolarHBondContact O-CA 3.21Å; S159-P163 WeakPolarHBondContact O-CG 3.45Å; S159-P163 VanDerWaalsContact O-N 3.1Å
164P92.9Very high91.9Very high45 Ų4533.4 Ų33.429%0.29218%0.184SC..THydrogen-bonded Turncis-90.411.5639.5-39.8000114.2P189 P192P164-P189 HydrophobicContact CB-CB 3.95Å; P164-P189 HydrophobicContact CB-CG 3.98Å; P164-P189 HydrophobicContact CG-CB 4.39Å; P164-P189 HydrophobicContact CG-CG 4.1Å; P164-P192 HydrophobicContact CG-CG 3.8Å
165G94.2Very high92.2Very high0 Ų033.4 Ų33.40%018%0.184CC..  trans90.7-149.8-172.300000113.3F132 R162 Y167F132-G165 WeakPolarHBondContact CD1-O 3.36Å; R162-G165 WeakPolarHBondContact O-CA 3.38Å; R162-G165 PolarHBondContact O-N 3.35Å; G165-Y167 PolarHBondContact O-N 2.75Å
166I94.2Very high92.2Very high3 Ų333 Ų332%0.01518%0.182CC..  trans-72.5117.1174.5-63.1-178.2000108.3N133 I140 F158 Y171 L172 L175 P189N133-I166 WeakPolarHBondContact OD1-CG2 3.28Å; I140-I166 HydrophobicContact CD1-CD1 3.66Å; I140-I166 HydrophobicContact CD1-CG1 4.38Å; F158-I166 HydrophobicContact CD1-CG1 4.2Å; F158-I166 HydrophobicContact CE1-CG1 4.1Å; I166-Y171 HydrophobicContact CG2-CG 4.43Å; I166-L172 HydrophobicContact CB-CD2 3.92Å; I166-L172 HydrophobicContact CB-CG 4.2Å; I166-L172 HydrophobicContact CD1-CD2 4.46Å; I166-L172 HydrophobicContact CG2-CD2 4.08Å; I166-L172 HydrophobicContact CG2-CG 3.86Å; I166-L175 HydrophobicContact CD1-CD1 3.63Å; I166-P189 VanDerWaalsContact O-CD 3.29Å; I166-P189 WeakPolarHBondContact O-CD 3.2Å
167Y93Very high92.3Very high19 Ų1932.7 Ų32.78%0.07519%0.187CC..  trans-102.74.9-177.357.8-102.6000113.7F132 N133 G165 L191 P192 W194F132-Y167 HydrophobicContact CB-CD1 3.87Å; F132-Y167 HydrophobicContact CB-CE1 3.35Å; F132-Y167 HydrophobicContact CD1-CD1 4.29Å; F132-Y167 HydrophobicContact CD1-CE1 4.23Å; F132-Y167 AromaticContact CD2-CE1 3.99Å; F132-Y167 HydrophobicContact CD2-CE1 3.99Å; F132-Y167 HydrophobicContact CG-CD1 4.1Å; F132-Y167 AromaticContact CG-CE1 3.61Å; F132-Y167 HydrophobicContact CG-CE1 3.61Å; N133-Y167 WeakPolarHBondContact ND2-CE2 3.26Å; N133-Y167 PolarHBondContact ND2-OH 2.65Å; N133-Y167 PolarHBondContact OD1-N 3.14Å; N133-Y167 VanDerWaalsContact OD1-N 3.14Å; G165-Y167 PolarHBondContact O-N 2.75Å; Y167-L191 HydrophobicContact CD2-CD2 3.74Å; Y167-L191 HydrophobicContact CE2-CD2 4.13Å; Y167-P192 HydrophobicContact CD1-CG 4.42Å; Y167-W194 AromaticContact CE1-CH2 3.77Å; Y167-W194 HydrophobicContact CE1-CH2 3.77Å; Y167-W194 HydrophobicContact CE1-CZ2 4.27Å
168K91.4Very high92.3Very high47 Ų4734.7 Ų34.720%0.20419%0.192CC..  trans-108.8122.1175.5-73.7-169.2165.9-156.60110.8E96 N133 D170 Y171 L172E96-K168 VanDerWaalsContact CG-NZ 3.27Å; E96-K168 IonicContact OE1-NZ 2.67Å; E96-K168 PolarHBondContact OE1-NZ 2.82Å; N133-K168 HydrophobicContact CB-CD 4.42Å; N133-K168 WeakPolarHBondContact ND2-CD 3.29Å; N133-K168 WeakPolarHBondContact ND2-CG 3.29Å; N133-K168 WeakPolarHBondContact OD1-CB 3.35Å; N133-K168 PolarHBondContact OD1-N 2.74Å; N133-K168 VanDerWaalsContact OD1-N 3.15Å; K168-D170 WeakPolarHBondContact CB-OD1 3.39Å; K168-D170 PolarHBondContact O-N 3.44Å; K168-Y171 HydrophobicContact CB-CD2 3.75Å; K168-Y171 HydrophobicContact CB-CE2 4.39Å; K168-Y171 HydrophobicContact CD-CD2 4.14Å; K168-Y171 HydrophobicContact CD-CE2 3.94Å; K168-Y171 PolarHBondContact O-N 2.97Å; K168-L172 PolarHBondContact O-N 2.89Å
169A91.9Very high91.7Very high43 Ų4337.1 Ų37.136%0.35520%0.202SC..Hα-helixtrans-60.4-41.3-174.100000113Y171 L172 E173 A188A169-Y171 PolarHBondContact O-N 3.38Å; A169-L172 PolarHBondContact O-N 2.82Å; A169-E173 WeakPolarHBondContact O-CB 3.47Å; A169-E173 WeakPolarHBondContact O-CG 3.11Å; A169-E173 PolarHBondContact O-N 3.41Å; A169-A188 HydrophobicContact CB-CB 4.04Å
170D92.5Very high90.8Very high46 Ų4638.2 Ų38.225%0.24622%0.217CC..Hα-helixtrans-59.2-30.3-179.961-43.9000113.5R98 K168 D174R98-D170 VanDerWaalsContact CD-O 3.24Å; R98-D170 WeakPolarHBondContact CD-O 3.39Å; K168-D170 WeakPolarHBondContact CB-OD1 3.39Å; K168-D170 PolarHBondContact O-N 3.44Å; D170-D174 WeakPolarHBondContact O-CB 3.42Å; D170-D174 PolarHBondContact O-N 3.19Å
171Y93.7Very high90Very high5 Ų535.9 Ų35.92%0.0221%0.208CC..Hα-helixtrans-74.4-41.7174.6-76.1-106.3000111.8E97 N133 R134 F137 I166 K168 A169 L175E97-Y171 PolarHBondContact O-OH 3.43Å; N133-Y171 HydrophobicContact CB-CD1 3.9Å; N133-Y171 HydrophobicContact CB-CD2 4.04Å; N133-Y171 HydrophobicContact CB-CE1 3.9Å; N133-Y171 HydrophobicContact CB-CE2 4.08Å; N133-Y171 HydrophobicContact CB-CG 3.98Å; R134-Y171 HydrophobicContact CB-CE1 4.46Å; R134-Y171 HydrophobicContact CG-CE1 3.69Å; R134-Y171 WeakPolarHBondContact CG-OH 3.49Å; F137-Y171 HydrophobicContact CB-CD1 4.04Å; F137-Y171 AromaticContact CD2-CD1 3.94Å; F137-Y171 HydrophobicContact CD2-CD1 3.94Å; F137-Y171 HydrophobicContact CG-CD1 4.33Å; I166-Y171 HydrophobicContact CG2-CG 4.43Å; K168-Y171 HydrophobicContact CB-CD2 3.75Å; K168-Y171 HydrophobicContact CB-CE2 4.39Å; K168-Y171 HydrophobicContact CD-CD2 4.14Å; K168-Y171 HydrophobicContact CD-CE2 3.94Å; K168-Y171 PolarHBondContact O-N 2.97Å; A169-Y171 PolarHBondContact O-N 3.38Å; Y171-L175 WeakPolarHBondContact O-CG 3.21Å; Y171-L175 PolarHBondContact O-N 3.46Å; Y171-L175 VanDerWaalsContact O-N 3.1Å
172L93.2Very high89.3Confident4 Ų439.2 Ų39.22%0.02122%0.224CC..Hα-helixtrans-66.3-47.7176.5-68.7171.8000110.6V155 I166 K168 A169 D174 L175 F176 P186 A188V155-L172 HydrophobicContact CG1-CD2 4Å; V155-L172 HydrophobicContact CG2-CD2 4.15Å; I166-L172 HydrophobicContact CB-CD2 3.92Å; I166-L172 HydrophobicContact CB-CG 4.2Å; I166-L172 HydrophobicContact CD1-CD2 4.46Å; I166-L172 HydrophobicContact CG2-CD2 4.08Å; I166-L172 HydrophobicContact CG2-CG 3.86Å; K168-L172 PolarHBondContact O-N 2.89Å; A169-L172 PolarHBondContact O-N 2.82Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 2.86Å; L172-L175 WeakPolarHBondContact O-CB 3.25Å; L172-L175 PolarHBondContact O-N 2.81Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L172-F176 WeakPolarHBondContact O-CD2 3.23Å; L172-F176 PolarHBondContact O-N 3.42Å; L172-P186 HydrophobicContact CD1-CG 4.46Å; L172-A188 HydrophobicContact CD1-CB 4.19Å
173E92.7Very high88.4Confident95 Ų9546.1 Ų46.144%0.44426%0.256SS..Hα-helixtrans-56.7-41.9177.9-72.2171.5-167.900111.8A169 F176 T177 I182A169-E173 WeakPolarHBondContact O-CB 3.47Å; A169-E173 WeakPolarHBondContact O-CG 3.11Å; A169-E173 PolarHBondContact O-N 3.41Å; E173-F176 PolarHBondContact O-N 3.46Å; E173-T177 VanDerWaalsContact O-CB 3.24Å; E173-T177 WeakPolarHBondContact O-CB 3.41Å; E173-T177 PolarHBondContact O-N 3.28Å; E173-T177 PolarHBondContact O-OG1 2.86Å; E173-I182 HydrophobicContact CB-CD1 4Å; E173-I182 HydrophobicContact CG-CD1 4.18Å
174D92.8Very high87.6Confident15 Ų1547.5 Ų47.58%0.0826%0.259CS..Hα-helixtrans-69.1-40177.3-172.416.4000112.2R98 F137 D170 L172 F176 T177 R178R98-D174 WeakPolarHBondContact CB-OD2 3.24Å; R98-D174 WeakPolarHBondContact CD-OD2 2.97Å; R98-D174 IonicContact NE-OD2 2.76Å; F137-D174 HydrophobicContact CE2-CB 4Å; D170-D174 WeakPolarHBondContact O-CB 3.42Å; D170-D174 PolarHBondContact O-N 3.19Å; L172-D174 VanDerWaalsContact C-N 3.28Å; L172-D174 PolarHBondContact O-N 2.86Å; D174-F176 PolarHBondContact O-N 3.17Å; D174-T177 PolarHBondContact O-N 3.41Å; D174-R178 WeakPolarHBondContact O-CB 3.44Å; D174-R178 VanDerWaalsContact O-CG 3.29Å; D174-R178 WeakPolarHBondContact O-CG 3.28Å; D174-R178 PolarHBondContact O-N 2.82Å; D174-R178 IonicContact OD1-CZ 2.97Å; D174-R178 IonicContact OD1-NE 3.26Å; D174-R178 PolarHBondContact OD1-NE 3.1Å; D174-R178 IonicContact OD1-NH2 2.81Å; D174-R178 PolarHBondContact OD1-NH2 2.96Å; D174-R178 IonicContact OD2-CZ 3.31Å; D174-R178 IonicContact OD2-NE 3.21Å; D174-R178 PolarHBondContact OD2-NE 3.38Å; D174-R178 IonicContact OD2-NH2 2.9Å; D174-R178 PolarHBondContact OD2-NH2 3.23Å
175L91.3Very high87.2Confident0 Ų046.8 Ų46.80%026%0.255CS..Hα-helixtrans-58.7-48.4172.3-74.8169.2000111.6F137 I140 V151 V155 I166 Y171 L172 T177 R178 Y179F137-L175 HydrophobicContact CD1-CD2 4.26Å; F137-L175 HydrophobicContact CD2-CD1 4.11Å; F137-L175 HydrophobicContact CD2-CD2 3.76Å; F137-L175 HydrophobicContact CD2-CG 3.59Å; F137-L175 HydrophobicContact CE1-CD2 4.2Å; F137-L175 HydrophobicContact CE2-CD2 3.71Å; F137-L175 HydrophobicContact CE2-CG 3.6Å; F137-L175 HydrophobicContact CG-CD2 4.03Å; F137-L175 HydrophobicContact CG-CG 4.29Å; F137-L175 HydrophobicContact CZ-CD2 3.93Å; F137-L175 HydrophobicContact CZ-CG 4.3Å; I140-L175 HydrophobicContact CB-CD1 4.23Å; I140-L175 HydrophobicContact CB-CD2 4.26Å; I140-L175 HydrophobicContact CD1-CD1 3.83Å; I140-L175 HydrophobicContact CG2-CD1 3.93Å; I140-L175 HydrophobicContact CG2-CD2 3.83Å; I140-L175 HydrophobicContact CG2-CG 4.42Å; V151-L175 HydrophobicContact CG2-CB 3.82Å; V155-L175 HydrophobicContact CG2-CD1 4.31Å; I166-L175 HydrophobicContact CD1-CD1 3.63Å; Y171-L175 WeakPolarHBondContact O-CG 3.21Å; Y171-L175 PolarHBondContact O-N 3.46Å; Y171-L175 VanDerWaalsContact O-N 3.1Å; L172-L175 WeakPolarHBondContact O-CB 3.25Å; L172-L175 PolarHBondContact O-N 2.81Å; L172-L175 VanDerWaalsContact O-N 3.12Å; L175-T177 VanDerWaalsContact C-N 3.34Å; L175-R178 PolarHBondContact O-N 2.66Å; L175-Y179 HydrophobicContact CD2-CD2 3.96Å; L175-Y179 HydrophobicContact CD2-CE2 3.84Å; L175-Y179 WeakPolarHBondContact O-CB 3.44Å; L175-Y179 WeakPolarHBondContact O-CD2 3.41Å; L175-Y179 PolarHBondContact O-N 2.88Å
176F90.9Very high86.7Confident3 Ų349.5 Ų49.51%0.01327%0.272CS..Hα-helixtrans-70.7-29.9179.7-82.3-98.2000112.5V151 D152 V155 L172 E173 D174 G180 C181 I182 D184 C185 P186V151-F176 HydrophobicContact CG1-CD1 3.73Å; V151-F176 HydrophobicContact CG1-CD2 4.46Å; V151-F176 HydrophobicContact CG1-CE1 3.68Å; V151-F176 HydrophobicContact CG1-CE2 4.41Å; V151-F176 HydrophobicContact CG1-CG 4.15Å; V151-F176 HydrophobicContact CG1-CZ 4.03Å; V151-F176 HydrophobicContact CG2-CD2 4.02Å; V151-F176 HydrophobicContact CG2-CE2 4.02Å; V151-F176 HydrophobicContact CG2-CG 4.37Å; V151-F176 HydrophobicContact CG2-CZ 4.38Å; D152-F176 HydrophobicContact CB-CE1 4.42Å; D152-F176 HydrophobicContact CB-CZ 4.27Å; V155-F176 HydrophobicContact CG2-CE2 4.03Å; L172-F176 WeakPolarHBondContact O-CD2 3.23Å; L172-F176 PolarHBondContact O-N 3.42Å; E173-F176 PolarHBondContact O-N 3.46Å; D174-F176 PolarHBondContact O-N 3.17Å; F176-G180 CarbonylContact O-C 3.56Å; F176-G180 WeakPolarHBondContact O-CA 3.44Å; F176-G180 PolarHBondContact O-N 3.34Å; F176-G180 VanDerWaalsContact O-O 3.04Å; F176-C181 WeakPolarHBondContact CD1-O 3.4Å; F176-I182 HydrophobicContact CB-CD1 4.4Å; F176-D184 HydrophobicContact CD1-CB 4.34Å; F176-D184 HydrophobicContact CE1-CB 4.12Å; F176-D184 VanDerWaalsContact CE1-O 3.28Å; F176-D184 WeakPolarHBondContact CE1-O 3.44Å; F176-C185 HydrophobicContact CB-CB 3.94Å; F176-C185 HydrophobicContact CD1-CB 4.18Å; F176-C185 HydrophobicContact CD2-CB 4.04Å; F176-C185 HydrophobicContact CG-CB 3.79Å; F176-P186 HydrophobicContact CE2-CG 4.08Å; F176-P186 HydrophobicContact CZ-CG 4.25Å
177T88Confident86.3Confident96 Ų9658.2 Ų58.259%0.58931%0.313SS*.Hα-helixtrans-67.6-39.1171.7-59.40000111.8E173 D174 L175E173-T177 VanDerWaalsContact O-CB 3.24Å; E173-T177 WeakPolarHBondContact O-CB 3.41Å; E173-T177 PolarHBondContact O-N 3.28Å; E173-T177 PolarHBondContact O-OG1 2.86Å; D174-T177 PolarHBondContact O-N 3.41Å; L175-T177 VanDerWaalsContact C-N 3.34Å
178R85.9Confident86.2Confident78 Ų7858.6 Ų58.629%0.29432%0.32SS..Hα-helixtrans-77.6-37.8-179.5-71.3-178.4-162-163.29.7113.4P99 D174 L175P99-R178 PolarHBondContact O-NH1 2.92Å; P99-R178 PolarHBondContact O-NH2 3.4Å; D174-R178 WeakPolarHBondContact O-CB 3.44Å; D174-R178 VanDerWaalsContact O-CG 3.29Å; D174-R178 WeakPolarHBondContact O-CG 3.28Å; D174-R178 PolarHBondContact O-N 2.82Å; D174-R178 IonicContact OD1-CZ 2.97Å; D174-R178 IonicContact OD1-NE 3.26Å; D174-R178 PolarHBondContact OD1-NE 3.1Å; D174-R178 IonicContact OD1-NH2 2.81Å; D174-R178 PolarHBondContact OD1-NH2 2.96Å; D174-R178 IonicContact OD2-CZ 3.31Å; D174-R178 IonicContact OD2-NE 3.21Å; D174-R178 PolarHBondContact OD2-NE 3.38Å; D174-R178 IonicContact OD2-NH2 2.9Å; D174-R178 PolarHBondContact OD2-NH2 3.23Å; L175-R178 PolarHBondContact O-N 2.66Å
179Y82.7Confident86.1Confident51 Ų5158.5 Ų58.520%0.232%0.324CS..Hα-helixtrans-127-1.7-161.4-57.3-56.4000114.8A141 V144 E145 L175A141-Y179 HydrophobicContact CB-CE2 4.03Å; V144-Y179 HydrophobicContact CB-CD1 4.41Å; V144-Y179 HydrophobicContact CB-CG 4.34Å; V144-Y179 HydrophobicContact CG1-CD1 3.67Å; V144-Y179 HydrophobicContact CG1-CE1 4.41Å; V144-Y179 HydrophobicContact CG1-CG 3.79Å; V144-Y179 HydrophobicContact CG2-CG 4.47Å; E145-Y179 HydrophobicContact CG-CE1 3.7Å; E145-Y179 WeakPolarHBondContact OE1-CE1 3.35Å; E145-Y179 PolarHBondContact OE1-OH 2.75Å; L175-Y179 HydrophobicContact CD2-CD2 3.96Å; L175-Y179 HydrophobicContact CD2-CE2 3.84Å; L175-Y179 WeakPolarHBondContact O-CB 3.44Å; L175-Y179 WeakPolarHBondContact O-CD2 3.41Å; L175-Y179 PolarHBondContact O-N 2.88Å
180G76.2Confident85.8Confident47 Ų4761.5 Ų61.549%0.48534%0.342SS..SBendtrans-156.2-145.2-175.900000113.3F176F176-G180 CarbonylContact O-C 3.56Å; F176-G180 WeakPolarHBondContact O-CA 3.44Å; F176-G180 PolarHBondContact O-N 3.34Å; F176-G180 VanDerWaalsContact O-O 3.04Å
181C71.6Confident85.4Confident55 Ų5563.7 Ų63.737%0.37235%0.353SS..  trans-112.4127.4179.9-155.80000107.9F176 E183 D184F176-C181 WeakPolarHBondContact CD1-O 3.4Å; C181-E183 PolarHBondContact O-N 3.21Å; C181-E183 PolarHBondContact SG-OE2 2.84Å; C181-D184 HydrophobicContact CB-CB 4.33Å; C181-D184 VanDerWaalsContact CB-OD2 3.3Å; C181-D184 WeakPolarHBondContact CB-OD2 3.46Å; C181-D184 PolarHBondContact O-N 2.9Å
182I79.4Confident84.8Confident78 Ų7864.2 Ų64.240%0.436%0.357SS..G310 helixtrans-64-27.2-177.5-168.361.7000111.5E173 F176 D184 C185E173-I182 HydrophobicContact CB-CD1 4Å; E173-I182 HydrophobicContact CG-CD1 4.18Å; F176-I182 HydrophobicContact CB-CD1 4.4Å; I182-D184 PolarHBondContact O-N 2.78Å; I182-C185 HydrophobicContact CD1-CB 4.28Å; I182-C185 WeakPolarHBondContact O-CB 3.4Å; I182-C185 PolarHBondContact O-N 2.76Å; I182-C185 VanDerWaalsContact O-N 3.17Å
183E75.5Confident84.1Confident151 Ų15170.7 Ų70.771%0.70639%0.392SS*.G310 helixtrans-64.4-26.2176-65.479.5-178.900113.1C181C181-E183 PolarHBondContact O-N 3.21Å; C181-E183 PolarHBondContact SG-OE2 2.84Å
184D76.2Confident83.6Confident117 Ų11767.4 Ų67.463%0.62638%0.376SS*.G310 helixtrans-92.61.3178.2-63.1-38.4000112.4F176 C181 I182F176-D184 HydrophobicContact CD1-CB 4.34Å; F176-D184 HydrophobicContact CE1-CB 4.12Å; F176-D184 VanDerWaalsContact CE1-O 3.28Å; F176-D184 WeakPolarHBondContact CE1-O 3.44Å; C181-D184 HydrophobicContact CB-CB 4.33Å; C181-D184 VanDerWaalsContact CB-OD2 3.3Å; C181-D184 WeakPolarHBondContact CB-OD2 3.46Å; C181-D184 PolarHBondContact O-N 2.9Å; I182-D184 PolarHBondContact O-N 2.78Å
185C83.6Confident82.7Confident30 Ų3066.8 Ų66.820%0.20337%0.372CS..PPolyproline II helixtrans-64.2122.5-178.7-175.90000110.5F176 I182F176-C185 HydrophobicContact CB-CB 3.94Å; F176-C185 HydrophobicContact CD1-CB 4.18Å; F176-C185 HydrophobicContact CD2-CB 4.04Å; F176-C185 HydrophobicContact CG-CB 3.79Å; I182-C185 HydrophobicContact CD1-CB 4.28Å; I182-C185 WeakPolarHBondContact O-CB 3.4Å; I182-C185 PolarHBondContact O-N 2.76Å; I182-C185 VanDerWaalsContact O-N 3.17Å
186P83.8Confident81.3Confident56 Ų5670.7 Ų70.736%0.36440%0.397SS..PPolyproline II helixtrans-66.5146.2177.528.5-33.3000109.8V155 L172 F176 A188V155-P186 HydrophobicContact CG1-CG 4.37Å; L172-P186 HydrophobicContact CD1-CG 4.46Å; F176-P186 HydrophobicContact CE2-CG 4.08Å; F176-P186 HydrophobicContact CZ-CG 4.25Å; P186-A188 PolarHBondContact O-N 3.34Å
187Q86.8Confident79.4Confident187 Ų18775.9 Ų75.987%0.87442%0.421SS*.PPolyproline II helixtrans-61.1134.9169.4-172.11777.500109.2
188A89.9Confident77.4Confident27 Ų2775 Ų7522%0.22341%0.412CS..PPolyproline II helixtrans-56.2134.4176.200000110.4A169 L172 P186A169-A188 HydrophobicContact CB-CB 4.04Å; L172-A188 HydrophobicContact CD1-CB 4.19Å; P186-A188 PolarHBondContact O-N 3.34Å
189P90.1Very high75.1Confident44 Ų4478.8 Ų78.829%0.28643%0.434SS..PPolyproline II helixtrans-61.8158.4177.627.2-35.5000110.7P164 I166 L191P164-P189 HydrophobicContact CB-CB 3.95Å; P164-P189 HydrophobicContact CB-CG 3.98Å; P164-P189 HydrophobicContact CG-CB 4.39Å; P164-P189 HydrophobicContact CG-CG 4.1Å; I166-P189 VanDerWaalsContact O-CD 3.29Å; I166-P189 WeakPolarHBondContact O-CD 3.2Å; P189-L191 PolarHBondContact O-N 2.96Å
190S85.5Confident72.7Confident107 Ų10784.9 Ų84.975%0.74846%0.464SS*.PPolyproline II helixtrans-55.2141.7172.354.70000110.6
191L84.7Confident70.8Confident91 Ų9192.6 Ų92.648%0.47648%0.48SS..PPolyproline II helixtrans-54.9129176.5-79.5163.3000109.6Y167 P189 C195Y167-L191 HydrophobicContact CD2-CD2 3.74Å; Y167-L191 HydrophobicContact CE2-CD2 4.13Å; P189-L191 PolarHBondContact O-N 2.96Å; L191-C195 HydrophobicContact CB-CB 4.37Å; L191-C195 HydrophobicContact CD2-CB 4.21Å
192P79.1Confident68.8Low16 Ų1694.9 Ų94.910%0.10450%0.496CS..PPolyproline II helixtrans-57.8149.1174.9-2533.7000111.9P164 Y167 W194 C195P164-P192 HydrophobicContact CG-CG 3.8Å; Y167-P192 HydrophobicContact CD1-CG 4.42Å; P192-W194 HydrophobicContact CB-CD2 4.05Å; P192-W194 VanDerWaalsContact CB-CE2 3.4Å; P192-W194 HydrophobicContact CB-CG 4.16Å; P192-W194 HydrophobicContact CB-CZ2 3.84Å; P192-W194 HydrophobicContact CG-CZ2 3.69Å; P192-W194 PolarHBondContact O-N 3.23Å; P192-W194 VanDerWaalsContact O-N 3.12Å; P192-C195 VanDerWaalsContact O-CB 3.23Å; P192-C195 WeakPolarHBondContact O-CB 3.4Å; P192-C195 PolarHBondContact O-N 2.96Å
193D79.9Confident66.2Low140 Ų14096 Ų9675%0.74951%0.511SS*.G310 helixtrans-55-36.1-176.7-58.5-27.4000113.2C195 T196D193-C195 PolarHBondContact O-N 2.57Å; D193-T196 PolarHBondContact O-N 2.7Å; D193-T196 VanDerWaalsContact O-N 3.13Å; D193-T196 PolarHBondContact O-OG1 2.91Å
194W81.7Confident64Low26 Ų2697.5 Ų97.510%0.09852%0.518CS..G310 helixtrans-66.7-6.6176.655-97.9000114.3R12 K15 C16 H130 F132 Y167 P192R12-W194 HydrophobicContact CB-CE3 4.45Å; K15-W194 HydrophobicContact CB-CB 3.69Å; K15-W194 WeakPolarHBondContact O-CB 3.16Å; C16-W194 HydrophobicContact CB-CD2 4.11Å; C16-W194 HydrophobicContact CB-CE3 3.8Å; C16-W194 HydrophobicContact CB-CZ3 4.03Å; H130-W194 HydrophobicContact CB-CH2 4.3Å; H130-W194 HydrophobicContact CB-CZ3 4.39Å; H130-W194 AromaticContact CD2-CZ3 3.93Å; F132-W194 AromaticContact CD2-CH2 3.72Å; F132-W194 HydrophobicContact CD2-CH2 3.72Å; F132-W194 AromaticContact CD2-CZ2 3.85Å; F132-W194 HydrophobicContact CD2-CZ2 3.85Å; F132-W194 HydrophobicContact CE1-CZ2 4.43Å; F132-W194 AromaticContact CE2-CH2 3.63Å; F132-W194 HydrophobicContact CE2-CH2 3.63Å; F132-W194 AromaticContact CE2-CZ2 3.35Å; F132-W194 HydrophobicContact CE2-CZ2 3.35Å; F132-W194 HydrophobicContact CZ-CH2 4.39Å; F132-W194 AromaticContact CZ-CZ2 3.68Å; F132-W194 HydrophobicContact CZ-CZ2 3.68Å; Y167-W194 AromaticContact CE1-CH2 3.77Å; Y167-W194 HydrophobicContact CE1-CH2 3.77Å; Y167-W194 HydrophobicContact CE1-CZ2 4.27Å; P192-W194 HydrophobicContact CB-CD2 4.05Å; P192-W194 VanDerWaalsContact CB-CE2 3.4Å; P192-W194 HydrophobicContact CB-CG 4.16Å; P192-W194 HydrophobicContact CB-CZ2 3.84Å; P192-W194 HydrophobicContact CG-CZ2 3.69Å; P192-W194 PolarHBondContact O-N 3.23Å; P192-W194 VanDerWaalsContact O-N 3.12Å
195C74.6Confident61.6Low2 Ų298.4 Ų98.41%0.01453%0.528CS..G310 helixtrans-84.9-19.1173.4-77.90000113.9R12 L191 P192 D193R12-C195 VanDerWaalsContact CD-O 3.22Å; R12-C195 WeakPolarHBondContact CD-O 3.34Å; R12-C195 VanDerWaalsContact CZ-O 3.3Å; R12-C195 PolarHBondContact NE-O 2.78Å; L191-C195 HydrophobicContact CB-CB 4.37Å; L191-C195 HydrophobicContact CD2-CB 4.21Å; P192-C195 VanDerWaalsContact O-CB 3.23Å; P192-C195 WeakPolarHBondContact O-CB 3.4Å; P192-C195 PolarHBondContact O-N 2.96Å; D193-C195 PolarHBondContact O-N 2.57Å
196T60.8Low58.9Low83 Ų83102.8 Ų102.851%0.50956%0.556SS.*THydrogen-bonded Turntrans-96.2-15.8-172.553.50000114D193 D198 E199D193-T196 PolarHBondContact O-N 2.7Å; D193-T196 VanDerWaalsContact O-N 3.13Å; D193-T196 PolarHBondContact O-OG1 2.91Å; T196-D198 PolarHBondContact O-N 3.09Å; T196-E199 PolarHBondContact O-N 2.83Å
197E51Low56.4Low111 Ų111104.6 Ų104.652%0.51958%0.575SS.*G310 helixtrans-62.3-18.9-171.3-66-178.2167.800115.8K15K15-E197 WeakPolarHBondContact CG-OE2 3.11Å
198D46.9Very low53.5Low77 Ų77105.4 Ų105.441%0.41258%0.576SS.*G310 helixtrans-84.7-6.5-176.6-75.8-26.5000114.4R11 R12 T196 E200R11-D198 WeakPolarHBondContact CA-OD2 3.33Å; R11-D198 WeakPolarHBondContact CB-OD2 3.36Å; R12-D198 WeakPolarHBondContact CG-OD2 3.33Å; R12-D198 PolarHBondContact N-OD2 2.91Å; T196-D198 PolarHBondContact O-N 3.09Å; D198-E200 PolarHBondContact O-N 2.91Å
199E36.3Very low50.6Low159 Ų159116.2 Ų116.274%0.74361%0.611SS**G310 helixtrans-77.6-15.8-175.4-68-164.5175.800114.4T196T196-E199 PolarHBondContact O-N 2.83Å
200E33.9Very low47.6Very low179 Ų179122.7 Ų122.784%0.83664%0.635SS**G310 helixtrans-84.8-7.1-176.3-69.7-172.1162.400115.1D198D198-E200 PolarHBondContact O-N 2.91Å
201Y36.3Very low45Very low209 Ų209125.7 Ų125.782%0.8264%0.642SS**G310 helixtrans-122.315.6-169.9-91.5-84.2000117.4
202S28.4Very low42.2Very low102 Ų102129.4 Ų129.471%0.71366%0.657SS**  trans-140.767.1179.7-81.50000114.9
203S25.3Very low40Very low101 Ų101137.1 Ų137.171%0.70669%0.692SS**  trans-81.8116147.3540000107.9
204H29.2Very low37.4Very low184 Ų184138 Ų13885%0.85270%0.696SS**  trans146.382.5159.6-69.6-41.2000110.5
205T25.1Very low35Very low136 Ų136142.5 Ų142.583%0.83473%0.73SS**  trans-96.7135.9167.6-37.20000109.2
206P27.3Very low32.9Very low121 Ų121148 Ų14879%0.78676%0.764SS**  trans-125119.71447.214000112.9
207A30.5Very low31.3Very low94 Ų94151 Ų15178%0.77778%0.777SS**  trans33.1116.7144.300000121.2
208K27.5Very low30.3Very low204 Ų204155.8 Ų155.889%0.88780%0.796SS**  trans-60.2136.7159.6-72.6172.8174.5172.60111.8
209R29.3Very low29.3Very low254 Ų254158.6 Ų158.696%0.95881%0.811SS**  trans-122.1121.3149-79.5-174.9175.6175.4-1108.8
210K27Very low29.1Very low181 Ų181159 Ų15979%0.78782%0.818SS**  trans-78.3138.4168.9-78.5177.9167.7-173.10108.4
211N29.5Very low28.8Very low169 Ų169159.1 Ų159.190%0.90482%0.819SS**  trans-127.7124.8153.4-104.410.9000107.9
212E26.4Very low28.6Very low170 Ų170158.5 Ų158.579%0.79482%0.823SS**  trans-92.4140165.8-71.8169.6164.700108.2
213E32.4Very low28.4Very low178 Ų178160 Ų16083%0.83283%0.828SS**  trans-170.3105.8157.6-104.8167.4-160.700106
214L26.9Very low28.8Very low159 Ų159161.9 Ų161.983%0.83284%0.835SS**  67.6113.286.1-88.2149000114.8
215C29.7Very low28.8Very low120 Ų120157.8 Ų157.881%0.81183%0.828SS**  trans174.396.4144.9-95.80000108.9
216T30.9Very low28.8Very low118 Ų118156.4 Ų156.472%0.72482%0.823SS**  73.4106.388.856.40000116.5
217N26.4Very low29.1Very low146 Ų146156 Ų15678%0.78182%0.824SS**  trans10134148.4-61.6-9.3000121.1
218F30.6Very low29Very low210 Ų210161 Ų16192%0.92183%0.828SS**  trans-140.9112.8136.9-98.8-84.4000109.6
219D27Very low29Very low137 Ų137159 Ų15973%0.73383%0.825SS**  trans-70.1146.3161.3-83.4-45.4000109.8
220N31.6Very low29.1Very low168 Ų168152.1 Ų152.190%0.89882%0.816SS**  trans-153.4113144.7-100.5-15.4000109.4
221Q27.4Very low29.1Very low180 Ų180155 Ų15584%0.84182%0.822SS**  trans-78.7137.2163.4-69.5174.22.700108.9
222E31.1Very low29.1Very low196 Ų196154.8 Ų154.892%0.91682%0.82SS**  trans-140.6126.9146.8-99.4-174.4176.700109.6
223T25.7Very low29Very low133 Ų133151.6 Ų151.682%0.81682%0.816SS**  trans-102.3134.1174.833.80000107.6
224V32.5Very low29Very low141 Ų141150.2 Ų150.286%0.85581%0.814SS**  trans-135.6132162.1-175.30000110.1
225S30.5Very low29.1Very low99 Ų99151.2 Ų151.269%0.69281%0.814SS**  trans-80.7150.7-169.650.30000115.9
226S25.3Very low29.2Very low107 Ų107152.6 Ų152.675%0.74881%0.812SS**  trans9.6136.4146.871.90000121.5
227S32.3Very low29Very low113 Ų113155.9 Ų155.979%0.7982%0.819SS**  -171.4125.2122.828.50000114.9
228K28.1Very low29.3Very low198 Ų198157.2 Ų157.286%0.86182%0.821SS**  trans30125.9137.5-63.5171.8176174.60120.9
229I29.2Very low29.1Very low163 Ų163155.7 Ų155.784%0.83682%0.822SS**  -15797129.2-57.5-169.8000106.7
230S31.4Very low29.3Very low108 Ų108153.4 Ų153.476%0.75582%0.823SS**  63.7122.988.982.30000117.4
231R25.7Very low29.2Very low243 Ų243151 Ų15192%0.91782%0.818SS**  trans-55.5145177.1-63.6166.1178.9162.3-1.5113.8
232L29.1Very low29.2Very low164 Ų164152.2 Ų152.286%0.85982%0.821SS**  trans-132.5108.8152.1-96.2148.6000108
233S26Very low29.2Very low102 Ų102147.9 Ų147.971%0.71381%0.813SS**  trans-96127.4160.748.20000106.5
234D31.7Very low29.4Very low149 Ų149148.5 Ų148.580%0.79781%0.81SS**  trans-143127.3159.2-88.2-38.7000110
235H29.6Very low29.3Very low180 Ų180146.5 Ų146.583%0.83380%0.8SS**  trans-70.2132.2171.2-77.5-92.8000109.9
236I31.8Very low29.4Very low150 Ų150148 Ų14877%0.76981%0.805SS**  trans-137.3100.7152-58.7-178.5000107.5E238I236-E238 HydrophobicContact CG2-CB 4.3Å; I236-E238 HydrophobicContact CG2-CG 4.49Å
237E26.5Very low30Very low187 Ų187148.8 Ų148.887%0.87481%0.811SS**  trans-80.4118.6153.2-75.5-178.3159.500107
238E32.2Very low30.9Very low174 Ų174151.2 Ų151.281%0.81381%0.807SS**  trans-139113.2161.8-105.2-175.4173.300110.3I236 A240I236-E238 HydrophobicContact CG2-CB 4.3Å; I236-E238 HydrophobicContact CG2-CG 4.49Å; E238-A240 PolarHBondContact O-N 2.97Å
239N26.6Very low32.6Very low177 Ų177146.8 Ų146.895%0.94780%0.801SS**  trans-64.7112.3163.7-79.4-43000108.9
240A30.2Very low34.6Very low90 Ų90143 Ų14374%0.74478%0.778SS**  trans-116109167.400000109.8E238E238-A240 PolarHBondContact O-N 2.97Å
241S30.5Very low36.9Very low116 Ų116140 Ų14081%0.81176%0.756SS**  trans-59.2131170.537.10000111.3S243S241-S243 PolarHBondContact O-N 3.33Å
242F27.1Very low39.5Very low206 Ų206133.3 Ų133.390%0.90474%0.744SS**  trans-67.2116.8174.3-105.2-103.5000110.5
243S31.6Very low42.2Very low106 Ų106128.1 Ų128.174%0.74172%0.721SS**  trans-107.4132155.851.10000108S241 P245S241-S243 PolarHBondContact O-N 3.33Å; S243-P245 WeakPolarHBondContact O-CD 3.28Å
244I30.4Very low44.9Very low146 Ų146123.7 Ų123.775%0.74969%0.689SS**PPolyproline II helixtrans-85.7117.7-172.7-61.7164000109.1
245P29.6Very low47Very low99 Ų99122.3 Ų122.364%0.64369%0.688SS**PPolyproline II helixtrans-84.1120.2163.8-2.622.5000108.9S243S243-P245 WeakPolarHBondContact O-CD 3.28Å
246T31.7Very low49.4Very low129 Ų129116.6 Ų116.679%0.79168%0.678SS**SBendtrans-67138.2172.139.80000110.8
247S38.3Very low51.9Low125 Ų125116.4 Ų116.487%0.87468%0.679SS**  trans79.363.1-176.8101.60000117.7
248K51Low54.7Low163 Ų163109.8 Ų109.871%0.70965%0.652SS**  trans-81.5123.6154.1-79.4-176.8176.2-179.60108.9F250K248-F250 PolarHBondContact O-N 2.85Å
249S65Low57.3Low105 Ų105107.9 Ų107.973%0.73465%0.647SS**  trans-69.2114166.165.70000108.3
250F71.7Confident60.3Low84 Ų84100.6 Ų100.637%0.36861%0.607SS.*PPolyproline II helixtrans-68.9150.9175.7-68.1-74.7000111.2K248 P275 H278K248-F250 PolarHBondContact O-N 2.85Å; F250-P275 HydrophobicContact CE2-CB 3.77Å; F250-P275 HydrophobicContact CE2-CG 3.86Å; F250-P275 HydrophobicContact CZ-CB 3.76Å; F250-P275 HydrophobicContact CZ-CG 4.37Å; F250-H278 HydrophobicContact CB-CB 4.47Å; F250-H278 VanDerWaalsContact CB-CD2 3.41Å; F250-H278 WeakPolarHBondContact CB-CD2 3.07Å; F250-H278 HydrophobicContact CD1-CB 3.24Å; F250-H278 AromaticContact CD1-CD2 3.79Å; F250-H278 AromaticContact CD1-CG 3.41Å; F250-H278 VanDerWaalsContact CD1-CG 3.41Å; F250-H278 HydrophobicContact CE1-CB 3.51Å; F250-H278 HydrophobicContact CG-CB 3.93Å; F250-H278 AromaticContact CG-CD2 3.51Å; F250-H278 AromaticContact CG-CG 3.64Å; F250-H278 HydrophobicContact CZ-CB 4.4Å
251P78.1Confident63Low44 Ų4497.6 Ų97.629%0.28658%0.578SS.*PPolyproline II helixtrans-61.2161.4169.928-34.2000110.5H278P251-H278 PolarHBondContact O-CE1 3.45Å; P251-H278 PolarHBondContact O-NE2 2.78Å
252P81.7Confident65.6Low104 Ų10499.8 Ų99.868%0.67558%0.576SS**PPolyproline II helixtrans-59.3145.6174.625.7-33.7000111
253P84.7Confident68.3Low55 Ų5591.6 Ų91.636%0.35755%0.549SS..PPolyproline II helixtrans-64.6164.9175.129.5-36.3000111.3Q272 D273P253-Q272 HydrophobicContact CB-CB 3.97Å; P253-D273 HydrophobicContact CG-CB 4.32Å
254P82.9Confident70.9Confident8 Ų887.3 Ų87.35%0.05252%0.518CS..PPolyproline II helixtrans-55.4141.7174.5-18.427.2000112L333 G383 N384 F385P254-L333 HydrophobicContact CG-CD1 3.93Å; P254-G383 WeakPolarHBondContact CB-O 3.26Å; P254-N384 HydrophobicContact CG-CB 4Å; P254-N384 WeakPolarHBondContact CG-O 3.28Å; P254-F385 HydrophobicContact CB-CD1 4.32Å; P254-F385 HydrophobicContact CB-CE1 3.99Å; P254-F385 HydrophobicContact CB-CZ 4.34Å; P254-F385 HydrophobicContact CG-CD1 4.42Å
255P76.9Confident73.6Confident120 Ų12084.2 Ų84.278%0.77951%0.509SS*.SBendtrans-71.3143.217730.3-34.4000111.3F385P255-F385 WeakPolarHBondContact O-CZ 3.42Å
256G79.7Confident76.5Confident60 Ų6083.9 Ų83.962%0.61950%0.498SS*.SBendtrans110-173.9178.500000112.9
257N83.9Confident79.5Confident147 Ų14778.7 Ų78.779%0.78647%0.466SS*.  trans-105.3135.4175.7-65.8-35.9000109.3D259N257-D259 PolarHBondContact O-N 2.72Å
258P85.9Confident82.2Confident47 Ų4776.8 Ų76.831%0.30545%0.446SS..  trans-62.2133.1171.727.2-33.6000109.7V269 Q272 F385 Y387P258-V269 HydrophobicContact CB-CG1 3.67Å; P258-V269 HydrophobicContact CG-CG1 3.53Å; P258-Q272 HydrophobicContact CG-CG 4.42Å; P258-F385 HydrophobicContact CB-CB 3.97Å; P258-F385 HydrophobicContact CB-CD1 3.94Å; P258-F385 HydrophobicContact CB-CD2 4.41Å; P258-F385 HydrophobicContact CB-CG 3.86Å; P258-Y387 HydrophobicContact CB-CE1 3.97Å
259D85.5Confident84.2Confident134 Ų13472.7 Ų72.772%0.71743%0.434SS*.  trans-130.784.6-179.1-171.126.4000108.3N257 Y387N257-D259 PolarHBondContact O-N 2.72Å; D259-Y387 PolarHBondContact N-OH 3.48Å; D259-Y387 VanDerWaalsContact N-OH 3.14Å
260F89.7Confident85.6Confident25 Ų2568.7 Ų68.711%0.1141%0.405CS..PPolyproline II helixtrans-70.9147.6176.8-169.2-116.9000110E262 V264 V267 V269 Y367 L379 Y387 L432F260-E262 PolarHBondContact O-N 3.15Å; F260-E262 VanDerWaalsContact O-N 3.12Å; F260-V264 HydrophobicContact CD1-CB 4.38Å; F260-V264 HydrophobicContact CE1-CB 3.61Å; F260-V264 HydrophobicContact CE1-CG1 3.66Å; F260-V264 HydrophobicContact CE1-CG2 4.47Å; F260-V264 HydrophobicContact CZ-CB 4.33Å; F260-V264 HydrophobicContact CZ-CG1 4.09Å; F260-V267 HydrophobicContact CD1-CB 4.23Å; F260-V267 HydrophobicContact CD1-CG1 4.3Å; F260-V267 HydrophobicContact CD2-CG1 4.49Å; F260-V267 HydrophobicContact CE1-CB 3.6Å; F260-V267 HydrophobicContact CE1-CG1 3.81Å; F260-V267 HydrophobicContact CE1-CG2 3.73Å; F260-V267 HydrophobicContact CE2-CG1 4.07Å; F260-V267 HydrophobicContact CZ-CB 3.92Å; F260-V267 HydrophobicContact CZ-CG1 3.71Å; F260-V267 HydrophobicContact CZ-CG2 3.8Å; F260-V269 HydrophobicContact CB-CG2 4.42Å; F260-Y367 AromaticContact CD2-CE1 3.92Å; F260-Y367 HydrophobicContact CD2-CE1 3.92Å; F260-Y367 AromaticContact CD2-CZ 3.69Å; F260-Y367 WeakPolarHBondContact CD2-OH 3.4Å; F260-Y367 AromaticContact CE2-CE1 3.95Å; F260-Y367 HydrophobicContact CE2-CE1 3.95Å; F260-Y367 HydrophobicContact CE2-CE2 4.1Å; F260-Y367 AromaticContact CE2-CZ 3.58Å; F260-Y367 WeakPolarHBondContact CE2-OH 3.47Å; F260-L379 HydrophobicContact CE2-CD1 3.75Å; F260-L379 HydrophobicContact CZ-CD1 4.01Å; F260-Y387 HydrophobicContact CB-CD1 3.71Å; F260-Y387 HydrophobicContact CB-CE1 3.51Å; F260-Y387 AromaticContact CD2-CD1 3.65Å; F260-Y387 HydrophobicContact CD2-CD1 3.65Å; F260-Y387 AromaticContact CD2-CD2 3.93Å; F260-Y387 HydrophobicContact CD2-CD2 3.93Å; F260-Y387 HydrophobicContact CD2-CE1 4Å; F260-Y387 HydrophobicContact CD2-CE2 4.26Å; F260-Y387 AromaticContact CD2-CG 3.61Å; F260-Y387 HydrophobicContact CD2-CG 3.61Å; F260-Y387 HydrophobicContact CE2-CD2 4.49Å; F260-Y387 HydrophobicContact CE2-CG 4.23Å; F260-Y387 AromaticContact CG-CD1 3.93Å; F260-Y387 HydrophobicContact CG-CD1 3.93Å; F260-Y387 HydrophobicContact CG-CE1 4.16Å; F260-Y387 HydrophobicContact CG-CG 4.33Å; F260-L432 HydrophobicContact CE1-CD2 4.43Å; F260-L432 HydrophobicContact CE2-CD2 4.14Å; F260-L432 HydrophobicContact CZ-CD2 3.62Å
261M88Confident86.7Confident27 Ų2769.3 Ų69.313%0.13342%0.415CS..PPolyproline II helixtrans-50.6120.2-177.9-173.4179.6-173.800111.9V264 Y367 L432 L434M261-V264 HydrophobicContact CB-CG2 4.24Å; M261-V264 HydrophobicContact CG-CG2 4.2Å; M261-V264 PolarHBondContact O-N 2.82Å; M261-V264 HydrophobicContact SD-CG2 4.23Å; M261-Y367 PolarHBondContact N-OH 3.43Å; M261-Y367 VanDerWaalsContact N-OH 3.12Å; M261-L432 HydrophobicContact CB-CD2 4.27Å; M261-L432 HydrophobicContact SD-CB 4Å; M261-L432 HydrophobicContact SD-CD2 4.09Å; M261-L432 HydrophobicContact SD-CG 3.89Å; M261-L434 HydrophobicContact CE-CB 4.4Å; M261-L434 HydrophobicContact CE-CD1 4.05Å; M261-L434 HydrophobicContact CE-CG 3.74Å
262E85.3Confident87.4Confident162 Ų16268.1 Ų68.176%0.75741%0.406SS*.THydrogen-bonded Turntrans-59.7145.7179.2-166.5178.4-176.800111.4F260 V264F260-E262 PolarHBondContact O-N 3.15Å; F260-E262 VanDerWaalsContact O-N 3.12Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 3.41Å
263G82.6Confident87.8Confident33 Ų3367.9 Ų67.934%0.3440%0.399SS..THydrogen-bonded Turntrans84.6-3.5-179.500000115.2
264V86.2Confident88.3Confident17 Ų1766.4 Ų66.410%0.10339%0.39CS..  trans-100117175.8-172.70000110.4F260 M261 E262 V267 L432 L434 P453 F504F260-V264 HydrophobicContact CD1-CB 4.38Å; F260-V264 HydrophobicContact CE1-CB 3.61Å; F260-V264 HydrophobicContact CE1-CG1 3.66Å; F260-V264 HydrophobicContact CE1-CG2 4.47Å; F260-V264 HydrophobicContact CZ-CB 4.33Å; F260-V264 HydrophobicContact CZ-CG1 4.09Å; M261-V264 HydrophobicContact CB-CG2 4.24Å; M261-V264 HydrophobicContact CG-CG2 4.2Å; M261-V264 PolarHBondContact O-N 2.82Å; M261-V264 HydrophobicContact SD-CG2 4.23Å; E262-V264 VanDerWaalsContact C-N 3.31Å; E262-V264 PolarHBondContact O-N 3.41Å; V264-V267 HydrophobicContact CG1-CG2 4.19Å; V264-L432 HydrophobicContact CB-CD2 4.49Å; V264-L432 HydrophobicContact CG1-CD2 4.24Å; V264-L432 HydrophobicContact CG2-CD2 3.92Å; V264-L432 HydrophobicContact CG2-CG 4.49Å; V264-L434 HydrophobicContact CG2-CD2 4.14Å; V264-P453 HydrophobicContact CB-CB 4.43Å; V264-P453 HydrophobicContact CG1-CB 3.91Å; V264-P453 HydrophobicContact CG1-CG 4.17Å; V264-P453 HydrophobicContact CG2-CB 3.89Å; V264-F504 HydrophobicContact CG1-CD1 4.34Å
265S87.1Confident88.8Confident80 Ų8069.9 Ų69.956%0.55941%0.413SS*.  trans-96.1174.7175.663.50000112.1V267S265-V267 VanDerWaalsContact C-N 3.31Å; S265-V267 PolarHBondContact O-N 3.35Å
266K90.9Very high89.7Confident93 Ų9367.1 Ų67.140%0.40439%0.389SS..SBendtrans60.135.2179-51.9176.6-179.2178.90114N390 S500 S503K266-N390 HydrophobicContact CB-CB 4.36Å; K266-N390 PolarHBondContact O-N 3.5Å; K266-N390 PolarHBondContact O-OD1 3.47Å; K266-S500 PolarHBondContact NZ-O 3.24Å; K266-S503 VanDerWaalsContact O-CB 3.26Å; K266-S503 WeakPolarHBondContact O-CB 3.41Å; K266-S503 PolarHBondContact O-OG 3.29Å
267V93.9Very high90.5Very high19 Ų1964.3 Ų64.312%0.11536%0.36CS..EExtended strand (participates in β ladder)trans-134.5121.7171.9-177.10000108F260 V264 S265 P389 N390 F504F260-V267 HydrophobicContact CD1-CB 4.23Å; F260-V267 HydrophobicContact CD1-CG1 4.3Å; F260-V267 HydrophobicContact CD2-CG1 4.49Å; F260-V267 HydrophobicContact CE1-CB 3.6Å; F260-V267 HydrophobicContact CE1-CG1 3.81Å; F260-V267 HydrophobicContact CE1-CG2 3.73Å; F260-V267 HydrophobicContact CE2-CG1 4.07Å; F260-V267 HydrophobicContact CZ-CB 3.92Å; F260-V267 HydrophobicContact CZ-CG1 3.71Å; F260-V267 HydrophobicContact CZ-CG2 3.8Å; V264-V267 HydrophobicContact CG1-CG2 4.19Å; S265-V267 VanDerWaalsContact C-N 3.31Å; S265-V267 PolarHBondContact O-N 3.35Å; V267-P389 HydrophobicContact CG2-CB 4.38Å; V267-N390 PolarHBondContact N-OD1 3.42Å; V267-F504 HydrophobicContact CG2-CD1 4.19Å; V267-F504 HydrophobicContact CG2-CE1 3.95Å
268D94.6Very high91Very high86 Ų8657.5 Ų57.546%0.4632%0.323SS..EExtended strand (participates in β ladder)trans-85.7132.6178.4-62.9-38.2000110.1L270 Y387 K388 N390D268-L270 PolarHBondContact O-N 3.03Å; D268-Y387 CarbonylContact O-C 3.56Å; D268-Y387 WeakPolarHBondContact O-CA 3.41Å; D268-K388 PolarHBondContact N-O 3.09Å; D268-K388 PolarHBondContact O-N 2.69Å; D268-N390 PolarHBondContact OD2-OD1 3.19Å
269V94.6Very high91.4Very high76 Ų7659.2 Ų59.246%0.46133%0.327SS..EExtended strand (participates in β ladder)trans-80.4112.1167-175.70000107.2P258 F260 Y387P258-V269 HydrophobicContact CB-CG1 3.67Å; P258-V269 HydrophobicContact CG-CG1 3.53Å; F260-V269 HydrophobicContact CB-CG2 4.42Å; V269-Y387 HydrophobicContact CB-CD1 4.31Å; V269-Y387 HydrophobicContact CG1-CD1 4.19Å; V269-Y387 HydrophobicContact CG1-CE1 4.08Å; V269-Y387 HydrophobicContact CG2-CD1 3.94Å; V269-Y387 HydrophobicContact CG2-CE1 4.1Å
270L94Very high91.9Very high21 Ų2152.8 Ų52.811%0.1129%0.293CS..  trans-67.5153.8-179.6-63.9-173.6000111D268 Q272 E276 A277 Y378 V386 K388D268-L270 PolarHBondContact O-N 3.03Å; L270-Q272 PolarHBondContact O-N 2.96Å; L270-Q272 PolarHBondContact O-NE2 3.27Å; L270-E276 HydrophobicContact CD1-CG 4.14Å; L270-A277 HydrophobicContact CB-CB 4.39Å; L270-A277 HydrophobicContact CD1-CB 4.4Å; L270-Y378 HydrophobicContact CD1-CD1 3.93Å; L270-Y378 HydrophobicContact CD1-CE1 3.88Å; L270-V386 HydrophobicContact CD1-CB 4.4Å; L270-V386 HydrophobicContact CD1-CG1 3.8Å; L270-V386 PolarHBondContact N-O 3.2Å; L270-K388 HydrophobicContact CD1-CB 4.4Å; L270-K388 HydrophobicContact CD2-CB 3.83Å; L270-K388 HydrophobicContact CD2-CD 4.15Å; L270-K388 HydrophobicContact CG-CB 4.1Å
271V93.7Very high92.2Very high98 Ų9852.1 Ų52.159%0.59429%0.29SS*.  trans-67.1117.3165.6-158.70000107.1D273 S274 A277V271-D273 WeakPolarHBondContact CG1-OD1 3.21Å; V271-D273 PolarHBondContact O-N 2.69Å; V271-S274 WeakPolarHBondContact O-CB 3.38Å; V271-S274 PolarHBondContact O-N 3.12Å; V271-S274 PolarHBondContact O-OG 2.83Å; V271-A277 WeakPolarHBondContact O-CB 3.49Å
272Q93Very high92.4Very high19 Ų1955.1 Ų55.19%0.08931%0.306CS..THydrogen-bonded Turntrans-71.5-16.9-162.7-63-61.4-49.300113.6P253 P258 L270 R281 F385 V386P253-Q272 HydrophobicContact CB-CB 3.97Å; P258-Q272 HydrophobicContact CG-CG 4.42Å; L270-Q272 PolarHBondContact O-N 2.96Å; L270-Q272 PolarHBondContact O-NE2 3.27Å; Q272-R281 PolarHBondContact O-NH1 2.7Å; Q272-R281 PolarHBondContact O-NH2 2.79Å; Q272-F385 HydrophobicContact CG-CD1 3.91Å; Q272-F385 VanDerWaalsContact OE1-CA 3.27Å; Q272-V386 PolarHBondContact NE2-O 2.91Å
273D91.6Very high92.9Very high98 Ų9848.7 Ų48.752%0.52428%0.277SS..THydrogen-bonded Turntrans-92.8-1172.964.6-8.2000113.4P253 V271P253-D273 HydrophobicContact CG-CB 4.32Å; V271-D273 WeakPolarHBondContact CG1-OD1 3.21Å; V271-D273 PolarHBondContact O-N 2.69Å
274S94Very high93.5Very high24 Ų2447.4 Ų47.417%0.16826%0.263CS..SBendtrans-67.7150.5179.167.40000111.8V271 E276 A277 H278V271-S274 WeakPolarHBondContact O-CB 3.38Å; V271-S274 PolarHBondContact O-N 3.12Å; V271-S274 PolarHBondContact O-OG 2.83Å; S274-E276 PolarHBondContact O-N 3.37Å; S274-A277 PolarHBondContact O-N 3.11Å; S274-A277 VanDerWaalsContact O-N 3.14Å; S274-A277 WeakPolarHBondContact OG-CB 3.47Å; S274-A277 PolarHBondContact OG-N 2.87Å; S274-H278 PolarHBondContact O-CD2 3Å; S274-H278 VanDerWaalsContact O-CD2 3.28Å; S274-H278 PolarHBondContact O-N 3.4Å; S274-H278 VanDerWaalsContact O-N 3.08Å
275P94.5Very high93.8Very high82 Ų8249.1 Ų49.153%0.53227%0.271SS..Hα-helixtrans-53.9-37.2174.1-25.833.7000113.1F250 H278 E279F250-P275 HydrophobicContact CE2-CB 3.77Å; F250-P275 HydrophobicContact CE2-CG 3.86Å; F250-P275 HydrophobicContact CZ-CB 3.76Å; F250-P275 HydrophobicContact CZ-CG 4.37Å; P275-H278 PolarHBondContact O-N 3.08Å; P275-E279 WeakPolarHBondContact O-CB 3.37Å; P275-E279 PolarHBondContact O-N 3.17Å
276E95.8Very high94.1Very high62 Ų6250.9 Ų50.929%0.2927%0.269SS..Hα-helixtrans-65.2-44.1178.9-174.3174.7-168.600111.8L270 S274 E279 A280 Y378 K388L270-E276 HydrophobicContact CD1-CG 4.14Å; S274-E276 PolarHBondContact O-N 3.37Å; E276-E279 PolarHBondContact O-N 3.5Å; E276-A280 WeakPolarHBondContact O-CB 3.14Å; E276-A280 PolarHBondContact O-N 2.67Å; E276-Y378 HydrophobicContact CG-CE1 3.81Å; E276-Y378 WeakPolarHBondContact CG-OH 3.04Å; E276-Y378 VanDerWaalsContact OE1-CE1 3.27Å; E276-Y378 WeakPolarHBondContact OE1-CE1 3.5Å; E276-Y378 PolarHBondContact OE1-OH 2.93Å; E276-K388 IonicContact OE1-NZ 2.75Å; E276-K388 PolarHBondContact OE1-NZ 3.4Å; E276-K388 IonicContact OE2-NZ 3.9Å
277A95.2Very high94.4Very high0 Ų046.5 Ų46.50%025%0.25CC..Hα-helixtrans-65.5-38.6176.600000111.9L270 V271 S274 R281 V386L270-A277 HydrophobicContact CB-CB 4.39Å; L270-A277 HydrophobicContact CD1-CB 4.4Å; V271-A277 WeakPolarHBondContact O-CB 3.49Å; S274-A277 PolarHBondContact O-N 3.11Å; S274-A277 VanDerWaalsContact O-N 3.14Å; S274-A277 WeakPolarHBondContact OG-CB 3.47Å; S274-A277 PolarHBondContact OG-N 2.87Å; A277-R281 WeakPolarHBondContact O-CG 3.44Å; A277-R281 PolarHBondContact O-N 3.34Å; A277-V386 HydrophobicContact CB-CB 4.28Å; A277-V386 HydrophobicContact CB-CG2 4.31Å
278H94.4Very high94.4Very high4 Ų445.6 Ų45.62%0.01925%0.245CC..Hα-helixtrans-66.3-45.5174.8-78.6-68.5000112.6F250 P251 S274 P275 A280 R281 D282F250-H278 HydrophobicContact CB-CB 4.47Å; F250-H278 VanDerWaalsContact CB-CD2 3.41Å; F250-H278 WeakPolarHBondContact CB-CD2 3.07Å; F250-H278 HydrophobicContact CD1-CB 3.24Å; F250-H278 AromaticContact CD1-CD2 3.79Å; F250-H278 AromaticContact CD1-CG 3.41Å; F250-H278 VanDerWaalsContact CD1-CG 3.41Å; F250-H278 HydrophobicContact CE1-CB 3.51Å; F250-H278 HydrophobicContact CG-CB 3.93Å; F250-H278 AromaticContact CG-CD2 3.51Å; F250-H278 AromaticContact CG-CG 3.64Å; F250-H278 HydrophobicContact CZ-CB 4.4Å; P251-H278 PolarHBondContact O-CE1 3.45Å; P251-H278 PolarHBondContact O-NE2 2.78Å; S274-H278 PolarHBondContact O-CD2 3Å; S274-H278 VanDerWaalsContact O-CD2 3.28Å; S274-H278 PolarHBondContact O-N 3.4Å; S274-H278 VanDerWaalsContact O-N 3.08Å; P275-H278 PolarHBondContact O-N 3.08Å; H278-A280 VanDerWaalsContact C-N 3.31Å; H278-A280 PolarHBondContact O-N 2.75Å; H278-R281 PolarHBondContact O-N 2.94Å; H278-R281 VanDerWaalsContact O-N 3.17Å; H278-D282 WeakPolarHBondContact O-CB 3.23Å; H278-D282 VanDerWaalsContact O-CG 3.31Å; H278-D282 PolarHBondContact O-N 2.69Å
279E95.7Very high94.3Very high83 Ų8342.9 Ų42.939%0.38823%0.229SC..Hα-helixtrans-59.1-42.4177.3-169.9-172.4176.200111.8P275 E276 R281 D282 L283 M372 R376P275-E279 WeakPolarHBondContact O-CB 3.37Å; P275-E279 PolarHBondContact O-N 3.17Å; E276-E279 PolarHBondContact O-N 3.5Å; E279-R281 PolarHBondContact O-N 2.88Å; E279-D282 PolarHBondContact O-N 3.39Å; E279-L283 WeakPolarHBondContact O-CB 3.06Å; E279-L283 PolarHBondContact O-N 2.99Å; E279-M372 HydrophobicContact CG-CE 4.03Å; E279-M372 WeakPolarHBondContact OE1-CE 3.48Å; E279-R376 IonicContact OE1-CZ 3.73Å; E279-R376 IonicContact OE1-NH1 3.78Å; E279-R376 IonicContact OE1-NH2 2.78Å; E279-R376 PolarHBondContact OE1-NH2 2.76Å; E279-R376 IonicContact OE2-NH2 2.77Å; E279-R376 PolarHBondContact OE2-NH2 3.22Å
280A96.1Very high94.2Very high0 Ų041.8 Ų41.80%022%0.219CC..Hα-helixtrans-61.7-42.4176.100000112.2E276 H278 S284 L370 Y378 V386E276-A280 WeakPolarHBondContact O-CB 3.14Å; E276-A280 PolarHBondContact O-N 2.67Å; H278-A280 VanDerWaalsContact C-N 3.31Å; H278-A280 PolarHBondContact O-N 2.75Å; A280-S284 WeakPolarHBondContact O-CB 3.34Å; A280-S284 PolarHBondContact O-N 3.19Å; A280-L370 HydrophobicContact CB-CD2 4.09Å; A280-L370 VanDerWaalsContact O-CD2 3.28Å; A280-L370 WeakPolarHBondContact O-CD2 3.49Å; A280-Y378 HydrophobicContact CB-CD1 4.3Å; A280-Y378 HydrophobicContact CB-CD2 4.11Å; A280-Y378 HydrophobicContact CB-CG 3.99Å; A280-V386 HydrophobicContact CB-CG1 3.89Å
281R94.5Very high94.2Very high11 Ų1140.8 Ų40.84%0.04221%0.214CC..Hα-helixtrans-66.9-47.2176.6-69-178.1-158.5107.4-2.8112Q272 A277 H278 E279 L283 S284 D285 N384 V386Q272-R281 PolarHBondContact O-NH1 2.7Å; Q272-R281 PolarHBondContact O-NH2 2.79Å; A277-R281 WeakPolarHBondContact O-CG 3.44Å; A277-R281 PolarHBondContact O-N 3.34Å; H278-R281 PolarHBondContact O-N 2.94Å; H278-R281 VanDerWaalsContact O-N 3.17Å; E279-R281 PolarHBondContact O-N 2.88Å; R281-L283 PolarHBondContact O-N 3.5Å; R281-S284 PolarHBondContact O-N 2.91Å; R281-D285 PolarHBondContact O-N 3.45Å; R281-N384 PolarHBondContact NE-O 2.98Å; R281-V386 HydrophobicContact CG-CG2 3.68Å
282D93.5Very high94.2Very high90 Ų9036.1 Ų36.148%0.48119%0.186SC..Hα-helixtrans-62.6-44-178-71.7-7.8000111H278 E279 D285 K286H278-D282 WeakPolarHBondContact O-CB 3.23Å; H278-D282 VanDerWaalsContact O-CG 3.31Å; H278-D282 PolarHBondContact O-N 2.69Å; E279-D282 PolarHBondContact O-N 3.39Å; D282-D285 PolarHBondContact O-N 3.47Å; D282-K286 WeakPolarHBondContact O-CB 3.42Å; D282-K286 PolarHBondContact O-N 3.25Å
283L94.9Very high94.2Very high26 Ų2637 Ų3714%0.13619%0.189CC..Hα-helixtrans-67.8-41.6175.7-177.960.8000111.5E279 R281 D285 K286 L287 L370 M372E279-L283 WeakPolarHBondContact O-CB 3.06Å; E279-L283 PolarHBondContact O-N 2.99Å; R281-L283 PolarHBondContact O-N 3.5Å; L283-D285 VanDerWaalsContact C-N 3.33Å; L283-D285 PolarHBondContact O-N 2.89Å; L283-K286 PolarHBondContact O-N 3.38Å; L283-L287 HydrophobicContact CD1-CD1 4.19Å; L283-L287 HydrophobicContact CD1-CD2 4.21Å; L283-L287 HydrophobicContact CD1-CG 3.93Å; L283-L287 HydrophobicContact CD2-CD1 4.47Å; L283-L287 HydrophobicContact CG-CD1 3.95Å; L283-L287 HydrophobicContact CG-CG 4.13Å; L283-L287 WeakPolarHBondContact O-CB 3.26Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.34Å; L283-L287 PolarHBondContact O-N 2.95Å; L283-L370 HydrophobicContact CB-CD2 4.41Å; L283-L370 HydrophobicContact CD2-CD1 4.19Å; L283-L370 HydrophobicContact CD2-CD2 4.41Å; L283-L370 HydrophobicContact CG-CD1 4.28Å; L283-M372 HydrophobicContact CD2-CB 4.47Å; L283-M372 HydrophobicContact CD2-CE 3.61Å; L283-M372 HydrophobicContact CD2-CG 3.74Å; L283-M372 HydrophobicContact CD2-SD 4.01Å
284S95.4Very high94.1Very high7 Ų733.1 Ų33.15%0.04917%0.168CC..Hα-helixtrans-57.7-45.3175.5-175.60000111.8A280 R281 L287 C288 I380A280-S284 WeakPolarHBondContact O-CB 3.34Å; A280-S284 PolarHBondContact O-N 3.19Å; R281-S284 PolarHBondContact O-N 2.91Å; S284-L287 PolarHBondContact O-N 3.48Å; S284-C288 WeakPolarHBondContact O-CB 3.28Å; S284-C288 PolarHBondContact O-N 3.02Å; S284-C288 PolarHBondContact O-SG 2.79Å; S284-I380 VanDerWaalsContact CB-CD1 3.44Å
285D92.7Very high93.7Very high52 Ų5235.6 Ų35.628%0.27817%0.174SC..Hα-helixtrans-61.4-45.2175.4-176.866.2000111.7R281 D282 L283 L287 C288 K289R281-D285 PolarHBondContact O-N 3.45Å; D282-D285 PolarHBondContact O-N 3.47Å; L283-D285 VanDerWaalsContact C-N 3.33Å; L283-D285 PolarHBondContact O-N 2.89Å; D285-L287 PolarHBondContact O-N 3.47Å; D285-C288 WeakPolarHBondContact O-CB 3.46Å; D285-C288 PolarHBondContact O-N 2.59Å; D285-K289 WeakPolarHBondContact O-CG 3.35Å; D285-K289 PolarHBondContact O-N 3.29Å; D285-K289 WeakPolarHBondContact OD2-CE 3.42Å; D285-K289 IonicContact OD2-NZ 2.8Å; D285-K289 PolarHBondContact OD2-NZ 3.44Å
286K93.8Very high92.9Very high117 Ų11735.2 Ų35.251%0.50917%0.167SC..Hα-helixtrans-60.1-45.1176-174.2178.4-178.6178.20112.2D282 L283 C288 K289 M290D282-K286 WeakPolarHBondContact O-CB 3.42Å; D282-K286 PolarHBondContact O-N 3.25Å; L283-K286 PolarHBondContact O-N 3.38Å; K286-C288 VanDerWaalsContact C-N 3.35Å; K286-K289 PolarHBondContact O-N 3.14Å; K286-M290 WeakPolarHBondContact O-CB 3.38Å; K286-M290 PolarHBondContact O-N 3.12Å
287L95.9Very high91.9Very high1 Ų141.8 Ų41.81%0.00520%0.198CC..Hα-helixtrans-69.9-32.5178.6-63.6178.1000111.9L283 S284 D285 M290 G291 L370 N425 L427 T462L283-L287 HydrophobicContact CD1-CD1 4.19Å; L283-L287 HydrophobicContact CD1-CD2 4.21Å; L283-L287 HydrophobicContact CD1-CG 3.93Å; L283-L287 HydrophobicContact CD2-CD1 4.47Å; L283-L287 HydrophobicContact CG-CD1 3.95Å; L283-L287 HydrophobicContact CG-CG 4.13Å; L283-L287 WeakPolarHBondContact O-CB 3.26Å; L283-L287 VanDerWaalsContact O-CG 3.27Å; L283-L287 WeakPolarHBondContact O-CG 3.34Å; L283-L287 PolarHBondContact O-N 2.95Å; S284-L287 PolarHBondContact O-N 3.48Å; D285-L287 PolarHBondContact O-N 3.47Å; L287-M290 HydrophobicContact CD2-CE 4.35Å; L287-M290 HydrophobicContact CD2-SD 4.43Å; L287-G291 PolarHBondContact O-N 3.33Å; L287-L370 HydrophobicContact CD1-CD1 3.53Å; L287-N425 HydrophobicContact CD1-CB 4.25Å; L287-N425 HydrophobicContact CD2-CB 4.13Å; L287-L427 HydrophobicContact CB-CB 4.19Å; L287-L427 HydrophobicContact CB-CD2 4.06Å; L287-L427 HydrophobicContact CD1-CB 4.22Å; L287-T462 HydrophobicContact CB-CG2 4.5Å; L287-T462 HydrophobicContact CD2-CG2 3.74Å; L287-T462 PolarHBondContact O-OG1 2.83Å
288C94.3Very high91Very high1 Ų144.1 Ų44.11%0.00722%0.221CC..Hα-helixtrans-60.8-51.6170.7-74.90000110.9S284 D285 K286 M290 G291 G292 K336 L427 L549S284-C288 WeakPolarHBondContact O-CB 3.28Å; S284-C288 PolarHBondContact O-N 3.02Å; S284-C288 PolarHBondContact O-SG 2.79Å; D285-C288 WeakPolarHBondContact O-CB 3.46Å; D285-C288 PolarHBondContact O-N 2.59Å; K286-C288 VanDerWaalsContact C-N 3.35Å; C288-M290 VanDerWaalsContact C-N 3.32Å; C288-M290 PolarHBondContact O-N 2.92Å; C288-G291 PolarHBondContact O-N 3.21Å; C288-G292 WeakPolarHBondContact O-CA 3.19Å; C288-G292 PolarHBondContact O-N 2.83Å; C288-K336 HydrophobicContact CB-CB 4.09Å; C288-L427 WeakPolarHBondContact SG-CD2 3.44Å; C288-L549 HydrophobicContact CB-CD1 4.23Å; C288-L549 HydrophobicContact CB-CD2 3.89Å
289K92.4Very high90.6Very high29 Ų2949.9 Ų49.913%0.12625%0.248CC..Hα-helixtrans-62.1-40.3178.7-69.9168.8176.3165.80112D285 K286 G291 A303 D305D285-K289 WeakPolarHBondContact O-CG 3.35Å; D285-K289 PolarHBondContact O-N 3.29Å; D285-K289 WeakPolarHBondContact OD2-CE 3.42Å; D285-K289 IonicContact OD2-NZ 2.8Å; D285-K289 PolarHBondContact OD2-NZ 3.44Å; K286-K289 PolarHBondContact O-N 3.14Å; K289-G291 PolarHBondContact O-N 2.92Å; K289-A303 HydrophobicContact CB-CB 4.27Å; K289-A303 HydrophobicContact CG-CB 4.47Å; K289-A303 CarbonylContact O-C 3.53Å; K289-A303 WeakPolarHBondContact O-CB 3.47Å; K289-D305 VanDerWaalsContact CD-OD1 3.22Å; K289-D305 WeakPolarHBondContact CD-OD1 3.41Å; K289-D305 IonicContact NZ-OD1 3.5Å; K289-D305 PolarHBondContact NZ-OD1 2.77Å
290M93.8Very high90.2Very high53 Ų5348.6 Ų48.626%0.26124%0.244SC..Hα-helixtrans-60.3-47.8177.4-175.3-173.8-64.800111.8K286 L287 C288 T462 P467 R470K286-M290 WeakPolarHBondContact O-CB 3.38Å; K286-M290 PolarHBondContact O-N 3.12Å; L287-M290 HydrophobicContact CD2-CE 4.35Å; L287-M290 HydrophobicContact CD2-SD 4.43Å; C288-M290 VanDerWaalsContact C-N 3.32Å; C288-M290 PolarHBondContact O-N 2.92Å; M290-T462 HydrophobicContact SD-CG2 4Å; M290-P467 HydrophobicContact CG-CB 4.18Å; M290-P467 VanDerWaalsContact O-CB 3.27Å; M290-P467 WeakPolarHBondContact O-CB 3.26Å; M290-R470 VanDerWaalsContact O-CZ 3.26Å; M290-R470 PolarHBondContact O-NE 2.79Å; M290-R470 PolarHBondContact O-NH2 2.79Å
291G93.1Very high89.8Confident0 Ų052.7 Ų52.70%026%0.262CS..Hα-helixtrans-92.3-20.4-173.300000116.1L287 C288 K289 I461 G469 R470L287-G291 PolarHBondContact O-N 3.33Å; C288-G291 PolarHBondContact O-N 3.21Å; K289-G291 PolarHBondContact O-N 2.92Å; G291-I461 WeakPolarHBondContact CA-O 3.49Å; G291-G469 CarbonylContact O-C 3.53Å; G291-G469 WeakPolarHBondContact O-CA 3.37Å; G291-R470 WeakPolarHBondContact O-CG 3.16Å; G291-R470 PolarHBondContact O-N 2.84Å; G291-R470 VanDerWaalsContact O-N 3.16Å
292G92.9Very high89.6Confident0 Ų054.8 Ų54.80%028%0.277CS..  trans-103.2166.1-168.500000115.9C288 A303 Y547C288-G292 WeakPolarHBondContact O-CA 3.19Å; C288-G292 PolarHBondContact O-N 2.83Å; G292-A303 WeakPolarHBondContact O-CB 3.49Å; G292-A303 PolarHBondContact O-N 3.19Å; G292-Y547 WeakPolarHBondContact CA-O 3.44Å
293Y93.9Very high89.2Confident38 Ų3850.6 Ų50.615%0.14926%0.255CS..EExtended strand (participates in β ladder)trans-108.6153.7168.3-80.4-106.6000110.7L300 F301 P302 R470 F546 Y547 V548 L549Y293-L300 HydrophobicContact CD1-CB 3.94Å; Y293-F301 CarbonylContact C-O 3.53Å; Y293-F301 VanDerWaalsContact CA-O 3.26Å; Y293-F301 WeakPolarHBondContact CA-O 3.13Å; Y293-F301 VanDerWaalsContact CD1-C 3.41Å; Y293-F301 WeakPolarHBondContact CD1-O 3.46Å; Y293-P302 HydrophobicContact CD1-CG 4.35Å; Y293-P302 HydrophobicContact CE1-CB 4.38Å; Y293-P302 HydrophobicContact CE1-CG 3.75Å; Y293-R470 HydrophobicContact CD2-CG 4.49Å; Y293-R470 HydrophobicContact CE2-CB 4.05Å; Y293-R470 HydrophobicContact CE2-CG 3.87Å; Y293-F546 HydrophobicContact CD1-CD2 4.41Å; Y293-F546 HydrophobicContact CD2-CB 3.59Å; Y293-F546 HydrophobicContact CD2-CD2 4.09Å; Y293-F546 AromaticContact CD2-CG 3.98Å; Y293-F546 HydrophobicContact CD2-CG 3.98Å; Y293-F546 HydrophobicContact CE1-CD2 4.13Å; Y293-F546 HydrophobicContact CE2-CB 3.87Å; Y293-F546 HydrophobicContact CE2-CD1 4.41Å; Y293-F546 AromaticContact CE2-CD2 3.8Å; Y293-F546 HydrophobicContact CE2-CD2 3.8Å; Y293-F546 AromaticContact CE2-CG 3.75Å; Y293-F546 HydrophobicContact CE2-CG 3.75Å; Y293-F546 HydrophobicContact CG-CB 4.25Å; Y293-F546 HydrophobicContact CG-CD2 4.4Å; Y293-F546 AromaticContact CZ-CD2 3.82Å; Y293-Y547 PolarHBondContact N-O 3.04Å; Y293-V548 CarbonylContact O-C 3.53Å; Y293-V548 WeakPolarHBondContact O-CA 3.13Å; Y293-L549 PolarHBondContact O-N 3.32Å
294L88.9Confident88.5Confident16 Ų1651.9 Ų51.98%0.08426%0.264CS..EExtended strand (participates in β ladder)trans-102.1142.1166.8-65.6168.9000108.9L300 F301 A303 T307 L549L294-L300 WeakPolarHBondContact O-CA 3.45Å; L294-F301 PolarHBondContact N-O 3Å; L294-F301 PolarHBondContact O-N 3.22Å; L294-A303 HydrophobicContact CD1-CB 4.43Å; L294-A303 HydrophobicContact CG-CB 4.17Å; L294-T307 HydrophobicContact CD1-CG2 4.28Å; L294-L549 HydrophobicContact CD2-CB 4.1Å; L294-L549 HydrophobicContact CD2-CD1 4.4Å
295Y85.5Confident87Confident76 Ų7656.5 Ų56.530%0.29829%0.288SS..EExtended strand (participates in β ladder)trans-105112.9173.1-174.2-87.2000109.2G298 Q299 L300 P553 Q554Y295-G298 WeakPolarHBondContact OH-CA 3.46Å; Y295-Q299 WeakPolarHBondContact CA-O 3.44Å; Y295-L300 HydrophobicContact CD2-CD2 3.83Å; Y295-L300 HydrophobicContact CD2-CG 4.26Å; Y295-P553 HydrophobicContact CD1-CG 3.72Å; Y295-P553 HydrophobicContact CE1-CB 4.48Å; Y295-P553 HydrophobicContact CE1-CG 3.52Å; Y295-P553 HydrophobicContact CG-CG 4.29Å; Y295-Q554 VanDerWaalsContact CE2-NE2 3.35Å
296L79.3Confident85.1Confident74 Ų7457.3 Ų57.339%0.38730%0.297SS..EExtended strand (participates in β ladder)trans-132.7129.2-178.3-61.8172.7000108.4G298 Q299 F301L296-G298 PolarHBondContact O-N 3.39Å; L296-G298 VanDerWaalsContact O-N 3.09Å; L296-Q299 PolarHBondContact N-O 3.29Å; L296-Q299 PolarHBondContact O-N 3.47Å; L296-F301 HydrophobicContact CB-CD2 4.17Å; L296-F301 HydrophobicContact CB-CE2 4.13Å; L296-F301 HydrophobicContact CD1-CD2 4.41Å
297E73.4Confident83.1Confident200 Ų20053.2 Ų53.294%0.93528%0.282SS*.THydrogen-bonded Turntrans5038.6173.7-59.6-179.9179.200114.8Q299E297-Q299 VanDerWaalsContact C-N 3.33Å; E297-Q299 PolarHBondContact O-N 2.69Å
298G77.7Confident80.5Confident48 Ų4855.5 Ų55.550%0.49530%0.298SS..THydrogen-bonded Turntrans85.7-1179.200000115.4Y295 L296Y295-G298 WeakPolarHBondContact OH-CA 3.46Å; L296-G298 PolarHBondContact O-N 3.39Å; L296-G298 VanDerWaalsContact O-N 3.09Å
299Q84.3Confident77.7Confident126 Ų12661.5 Ų61.559%0.58933%0.326SS*.EExtended strand (participates in β ladder)trans-122.9152.6-175.7-61-173.8800112.4Y295 L296 E297 F301Y295-Q299 WeakPolarHBondContact CA-O 3.44Å; L296-Q299 PolarHBondContact N-O 3.29Å; L296-Q299 PolarHBondContact O-N 3.47Å; E297-Q299 VanDerWaalsContact C-N 3.33Å; E297-Q299 PolarHBondContact O-N 2.69Å; Q299-F301 HydrophobicContact CB-CE2 3.7Å; Q299-F301 HydrophobicContact CB-CZ 3.95Å
300L87.1Confident74.9Confident56 Ų5666.1 Ų66.129%0.29335%0.353SS..EExtended strand (participates in β ladder)trans-99.5127.3178.5-73.1172.5000110.7Y293 L294 Y295 F546 V548Y293-L300 HydrophobicContact CD1-CB 3.94Å; L294-L300 WeakPolarHBondContact O-CA 3.45Å; Y295-L300 HydrophobicContact CD2-CD2 3.83Å; Y295-L300 HydrophobicContact CD2-CG 4.26Å; L300-F546 HydrophobicContact CD1-CD2 4.33Å; L300-V548 HydrophobicContact CD2-CG2 3.62Å
301F89.2Confident72.2Confident86 Ų8668.1 Ų68.138%0.37736%0.361SS..EExtended strand (participates in β ladder)trans-121.7135176.9-61.8-85.9000110.5Y293 L294 L296 Q299 A303Y293-F301 CarbonylContact C-O 3.53Å; Y293-F301 VanDerWaalsContact CA-O 3.26Å; Y293-F301 WeakPolarHBondContact CA-O 3.13Å; Y293-F301 VanDerWaalsContact CD1-C 3.41Å; Y293-F301 WeakPolarHBondContact CD1-O 3.46Å; L294-F301 PolarHBondContact N-O 3Å; L294-F301 PolarHBondContact O-N 3.22Å; L296-F301 HydrophobicContact CB-CD2 4.17Å; L296-F301 HydrophobicContact CB-CE2 4.13Å; L296-F301 HydrophobicContact CD1-CD2 4.41Å; Q299-F301 HydrophobicContact CB-CE2 3.7Å; Q299-F301 HydrophobicContact CB-CZ 3.95Å; F301-A303 PolarHBondContact O-N 3.07Å
302P89.2Confident69.3Low54 Ų5472.7 Ų72.735%0.35138%0.383SS..EExtended strand (participates in β ladder)trans-57.8130.7171.9-2232.1000110.3Y293 T304Y293-P302 HydrophobicContact CD1-CG 4.35Å; Y293-P302 HydrophobicContact CE1-CB 4.38Å; Y293-P302 HydrophobicContact CE1-CG 3.75Å; P302-T304 PolarHBondContact O-N 2.95Å
303A84.9Confident66.2Low2 Ų278.1 Ų78.12%0.01741%0.408CS..  trans-66.4133.3174.800000109.5K289 G292 L294 F301 L549K289-A303 HydrophobicContact CB-CB 4.27Å; K289-A303 HydrophobicContact CG-CB 4.47Å; K289-A303 CarbonylContact O-C 3.53Å; K289-A303 WeakPolarHBondContact O-CB 3.47Å; G292-A303 WeakPolarHBondContact O-CB 3.49Å; G292-A303 PolarHBondContact O-N 3.19Å; L294-A303 HydrophobicContact CD1-CB 4.43Å; L294-A303 HydrophobicContact CG-CB 4.17Å; F301-A303 PolarHBondContact O-N 3.07Å; A303-L549 HydrophobicContact CB-CD1 3.71Å
304T80.1Confident63.2Low54 Ų5481.6 Ų81.633%0.33144%0.435SS..  trans-135.9160.5177.5570000109.3P302 S306 T307P302-T304 PolarHBondContact O-N 2.95Å; T304-S306 PolarHBondContact O-N 2.97Å; T304-S306 PolarHBondContact OG1-OG 3.37Å; T304-T307 PolarHBondContact N-OG1 3.46Å; T304-T307 PolarHBondContact O-N 3.48Å; T304-T307 PolarHBondContact O-OG1 3.06Å; T304-T307 WeakPolarHBondContact OG1-CG2 3.46Å; T304-T307 PolarHBondContact OG1-N 2.91Å; T304-T307 PolarHBondContact OG1-OG1 2.88Å
305D65Low60.5Low104 Ų10488.7 Ų88.756%0.55647%0.468SS*.G310 helixtrans-59.3-34.8175.6-73.6-42.6000111.7K289 T307 S308K289-D305 VanDerWaalsContact CD-OD1 3.22Å; K289-D305 WeakPolarHBondContact CD-OD1 3.41Å; K289-D305 IonicContact NZ-OD1 3.5Å; K289-D305 PolarHBondContact NZ-OD1 2.77Å; D305-T307 VanDerWaalsContact C-N 3.33Å; D305-T307 PolarHBondContact O-N 2.88Å; D305-S308 PolarHBondContact O-N 2.96Å; D305-S308 PolarHBondContact O-OG 2.96Å
306S52.3Low58Low68 Ų6892.3 Ų92.348%0.47649%0.492SS..G310 helixtrans-64.3-27.717441.70000114.6T304 S308 E309 N310T304-S306 PolarHBondContact O-N 2.97Å; T304-S306 PolarHBondContact OG1-OG 3.37Å; S306-S308 PolarHBondContact O-N 3.17Å; S306-E309 PolarHBondContact O-N 3.3Å; S306-E309 VanDerWaalsContact O-N 3.11Å; S306-N310 PolarHBondContact O-N 3Å
307T51.6Low55.7Low31 Ų3197.5 Ų97.519%0.1952%0.52CS..G310 helixtrans-70.3-16.2178.243.90000113.7L294 T304 D305 E309 N310 E311L294-T307 HydrophobicContact CD1-CG2 4.28Å; T304-T307 PolarHBondContact N-OG1 3.46Å; T304-T307 PolarHBondContact O-N 3.48Å; T304-T307 PolarHBondContact O-OG1 3.06Å; T304-T307 WeakPolarHBondContact OG1-CG2 3.46Å; T304-T307 PolarHBondContact OG1-N 2.91Å; T304-T307 PolarHBondContact OG1-OG1 2.88Å; D305-T307 VanDerWaalsContact C-N 3.33Å; D305-T307 PolarHBondContact O-N 2.88Å; T307-E309 VanDerWaalsContact C-N 3.31Å; T307-N310 PolarHBondContact O-N 3.16Å; T307-E311 PolarHBondContact O-N 3.32Å
308S41.5Very low53.9Low49 Ų4996.7 Ų96.734%0.34352%0.516SS..G310 helixtrans-77.6-18.6171.766.10000113.6D305 S306 R331D305-S308 PolarHBondContact O-N 2.96Å; D305-S308 PolarHBondContact O-OG 2.96Å; S306-S308 PolarHBondContact O-N 3.17Å; S308-R331 PolarHBondContact O-NH1 2.97Å; S308-R331 VanDerWaalsContact O-NH1 3.14Å
309E36Very low51.8Low127 Ų12798.6 Ų98.659%0.59353%0.527SS*.THydrogen-bonded Turntrans-82.1-38.3169.2-62.5-174.3160.300110.1S306 T307 E311 Q312S306-E309 PolarHBondContact O-N 3.3Å; S306-E309 VanDerWaalsContact O-N 3.11Å; T307-E309 VanDerWaalsContact C-N 3.31Å; E309-E311 PolarHBondContact O-N 2.79Å; E309-Q312 WeakPolarHBondContact O-CB 3.47Å; E309-Q312 WeakPolarHBondContact O-CG 3.13Å; E309-Q312 PolarHBondContact O-N 3.17Å; E309-Q312 VanDerWaalsContact O-N 3.1Å; E309-Q312 PolarHBondContact O-OE1 2.86Å
310N33.4Very low49.4Very low127 Ų127100.1 Ų100.168%0.67954%0.539SS*.THydrogen-bonded Turntrans-86.59.8-178.9-73.1-8.7000116.6S306 T307 Q312S306-N310 PolarHBondContact O-N 3Å; T307-N310 PolarHBondContact O-N 3.16Å; N310-Q312 PolarHBondContact O-N 3.02Å
311E37.4Very low46.7Very low95 Ų95109.6 Ų109.644%0.44457%0.571SS.*THydrogen-bonded Turntrans-75.89.3152.1-76.8-173.6179.200111.2T307 E309T307-E311 PolarHBondContact O-N 3.32Å; E309-E311 PolarHBondContact O-N 2.79Å
312Q31.8Very low44.1Very low96 Ų96110 Ų11045%0.44959%0.585SS.*SBendtrans-71124.6162.9-77.4164.5-2.200109.1E309 N310E309-Q312 WeakPolarHBondContact O-CB 3.47Å; E309-Q312 WeakPolarHBondContact O-CG 3.13Å; E309-Q312 PolarHBondContact O-N 3.17Å; E309-Q312 VanDerWaalsContact O-N 3.1Å; E309-Q312 PolarHBondContact O-OE1 2.86Å; N310-Q312 PolarHBondContact O-N 3.02Å
313E28.7Very low41.4Very low113 Ų113117.1 Ų117.153%0.52861%0.613SS.*  trans-36.4138.5145.9-72.4165.917200108.6D116 E315D116-E313 HydrophobicContact CB-CG 4.49Å; D116-E313 WeakPolarHBondContact O-CG 3.45Å; D116-E313 VanDerWaalsContact O-OE1 3.05Å; E313-E315 VanDerWaalsContact C-N 3.27Å; E313-E315 PolarHBondContact O-N 2.81Å
314P29.3Very low38.9Very low111 Ų111126.2 Ų126.272%0.72165%0.652SS**  trans-65.589-175.527.5-32.6000109.6N316P314-N316 PolarHBondContact O-N 2.7Å
315E33.9Very low36.7Very low165 Ų165131.6 Ų131.677%0.77168%0.678SS**  trans-70.7120.2168.8-83.9-168163.700107.9E313 L317E313-E315 VanDerWaalsContact C-N 3.27Å; E313-E315 PolarHBondContact O-N 2.81Å; E315-L317 PolarHBondContact O-N 2.87Å
316N32.8Very low35.1Very low153 Ų153131.9 Ų131.982%0.81869%0.688SS**  trans-37.3122.1177.9-72.2-48.9000113P314 E318P314-N316 PolarHBondContact O-N 2.7Å; N316-E318 VanDerWaalsContact C-N 3.3Å; N316-E318 PolarHBondContact O-N 3.36Å
317L31.1Very low34Very low183 Ų183137.9 Ų137.996%0.95871%0.705SS**  trans-64.986.5163.6-79.6154.9000109.7E315E315-L317 PolarHBondContact O-N 2.87Å
318E35.2Very low33.1Very low182 Ų182140.3 Ų140.385%0.8572%0.722SS**  trans-126.5106.6154.6-78.2-165165.100110.7N316N316-E318 VanDerWaalsContact C-N 3.3Å; N316-E318 PolarHBondContact O-N 3.36Å
319A33.6Very low32.6Very low89 Ų89142 Ų14274%0.73673%0.733SS**  trans8.8113.7153.500000118.4
320N33.5Very low32.8Very low158 Ų158146.2 Ų146.285%0.84575%0.75SS**  -168.5110.6118.3-94-39.3000110.7S322N320-S322 PolarHBondContact O-N 2.97Å
321R30.2Very low33.3Very low254 Ų254146.3 Ų146.396%0.95874%0.74SS**  trans-66114.4166.5-84.3177170.6173.4-3.5108.7
322S34.6Very low34.2Very low96 Ų96146.4 Ų146.467%0.67175%0.749SS**  trans-151.6121.1159.7-63.70000108N320 K324N320-S322 PolarHBondContact O-N 2.97Å; S322-K324 PolarHBondContact O-N 3.35Å; S322-K324 VanDerWaalsContact O-N 3.09Å
323E31.8Very low36Very low203 Ų203145.4 Ų145.495%0.94975%0.746SS**  trans-47.1111.3177.8-67.2170.5151.800111.1
324K33Very low38.3Very low192 Ų192148.4 Ų148.484%0.83575%0.753SS**  trans-128.3112.2167.7-87.6-178.8178.5170.80108.8S322 S326S322-K324 PolarHBondContact O-N 3.35Å; S322-K324 VanDerWaalsContact O-N 3.09Å; K324-S326 PolarHBondContact O-N 2.86Å
325I34.7Very low40.9Very low168 Ų168144.4 Ų144.486%0.86272%0.724SS**  trans-38.1116.8164.4-65.1162.5000109.1K327I325-K327 PolarHBondContact O-N 2.77Å; I325-K327 VanDerWaalsContact O-N 3.13Å
326S29.9Very low43.5Very low109 Ų109138.8 Ų138.876%0.76270%0.697SS**  trans-61.7111.3-176.154.80000110.6K324K324-S326 PolarHBondContact O-N 2.86Å
327K30.2Very low46.2Very low195 Ų195131.5 Ų131.585%0.84866%0.658SS**PPolyproline II helixtrans-62.6136164.2-77.2179175.7177.20108.4I325 S329I325-K327 PolarHBondContact O-N 2.77Å; I325-K327 VanDerWaalsContact O-N 3.13Å; K327-S329 PolarHBondContact O-N 2.96Å
328P33.7Very low49.2Very low82 Ų82123.4 Ų123.453%0.53262%0.617SS.*PPolyproline II helixtrans-57.1124.8175.922-30.5000109K330P328-K330 PolarHBondContact O-N 2.82Å
329S30.9Very low51.8Low84 Ų84116.9 Ų116.959%0.58759%0.587SS**PPolyproline II helixtrans-59.6130.3-175.893.30000109.3K327 R331K327-S329 PolarHBondContact O-N 2.96Å; S329-R331 PolarHBondContact O-N 3.01Å; S329-R331 WeakPolarHBondContact OG-CB 3.39Å
330K39.9Very low54.7Low216 Ų216114 Ų11494%0.93956%0.561SS**  trans-68.917.9174.2-71.1-177.8173.3-177.50112.9P328P328-K330 PolarHBondContact O-N 2.82Å
331R42.7Very low57.4Low128 Ų128108.1 Ų108.148%0.48353%0.53SS..  trans-74.7134.9-175.8-67.3-176.9178.8-178.9-1.8109.3S308 S329 L333S308-R331 PolarHBondContact O-NH1 2.97Å; S308-R331 VanDerWaalsContact O-NH1 3.14Å; S329-R331 PolarHBondContact O-N 3.01Å; S329-R331 WeakPolarHBondContact OG-CB 3.39Å; R331-L333 PolarHBondContact O-N 3.49Å
332P56.3Low60.3Low97 Ų9796.6 Ų96.663%0.6349%0.489SS*.  trans-62.1135.6177.724.1-31.7000110.4R334P332-R334 PolarHBondContact O-N 3.31Å; P332-R334 VanDerWaalsContact O-N 3.17Å
333L69.9Low63Low75 Ų7592.3 Ų92.339%0.39346%0.458SS..  trans-59.1114.9173.6-77.5154.4000109.3P254 R331 N384P254-L333 HydrophobicContact CG-CD1 3.93Å; R331-L333 PolarHBondContact O-N 3.49Å; L333-N384 HydrophobicContact CB-CB 4.47Å; L333-N384 PolarHBondContact O-ND2 3.39Å
334R76.5Confident65.7Low177 Ų17783 Ų8367%0.66842%0.415SS*.  trans-101.6131.4178.2-68.9-174.3177.2-156.80110.3P332 K336P332-R334 PolarHBondContact O-N 3.31Å; P332-R334 VanDerWaalsContact O-N 3.17Å; R334-K336 PolarHBondContact O-N 3.32Å
335F84.9Confident68.2Low26 Ų2677.6 Ų77.611%0.11439%0.393CS..  trans-66126.8173.3-177.3-102000110.7Q339 L368 D381 R382 N384F335-Q339 VanDerWaalsContact CD1-NE2 3.26Å; F335-Q339 VanDerWaalsContact CE1-NE2 3.34Å; F335-L368 HydrophobicContact CE2-CD1 3.85Å; F335-L368 HydrophobicContact CE2-CG 3.77Å; F335-L368 HydrophobicContact CZ-CD1 4.07Å; F335-L368 HydrophobicContact CZ-CD2 4.36Å; F335-L368 HydrophobicContact CZ-CG 3.71Å; F335-D381 WeakPolarHBondContact CD2-O 3.49Å; F335-D381 VanDerWaalsContact CE2-O 3.29Å; F335-D381 WeakPolarHBondContact CE2-O 3.4Å; F335-R382 WeakPolarHBondContact CB-O 3.18Å; F335-R382 HydrophobicContact CD1-CG 4.28Å; F335-R382 HydrophobicContact CE1-CG 4.31Å; F335-N384 PolarHBondContact N-ND2 2.96Å
336K88.8Confident70.4Confident47 Ų4774.2 Ų74.220%0.20437%0.369CS..  trans-93.7-11.4-171.5-66.5-67.9-175.3177.80114.7C288 R334 L549 G550C288-K336 HydrophobicContact CB-CB 4.09Å; R334-K336 PolarHBondContact O-N 3.32Å; K336-L549 CarbonylContact O-C 3.45Å; K336-L549 VanDerWaalsContact O-CA 3.22Å; K336-L549 WeakPolarHBondContact O-CA 3.22Å; K336-L549 WeakPolarHBondContact O-CB 3.37Å; K336-G550 PolarHBondContact O-N 2.88Å
337G89.5Confident73.3Confident0 Ų070.7 Ų70.70%034%0.342CS..SBendtrans-62.5145.8178.900000113.2Q339 Y547G337-Q339 PolarHBondContact O-N 3.25Å; G337-Q339 PolarHBondContact O-NE2 2.91Å; G337-Y547 WeakPolarHBondContact CA-OH 3.27Å
338S93.4Very high76.2Confident13 Ų1362 Ų629%0.09131%0.305CS..PPolyproline II helixtrans-58120.5-175-178.80000113.5R366 Y547 V548 G550 C552S338-R366 PolarHBondContact O-NH1 3.12Å; S338-R366 PolarHBondContact O-NH2 3.2Å; S338-Y547 PolarHBondContact N-OH 2.98Å; S338-V548 VanDerWaalsContact CA-O 3.26Å; S338-V548 WeakPolarHBondContact CA-O 3.47Å; S338-V548 WeakPolarHBondContact CB-O 3.33Å; S338-V548 PolarHBondContact OG-O 3.36Å; S338-G550 CarbonylContact C-O 3.55Å; S338-G550 VanDerWaalsContact CA-O 3.28Å; S338-G550 WeakPolarHBondContact CA-O 3.34Å; S338-C552 WeakPolarHBondContact OG-CB 3.34Å
339Q90.8Very high78.9Confident45 Ų4560.2 Ų60.221%0.2130%0.297CS..EExtended strand (participates in β ladder)trans-102.8122.5-179.1-55.7-58.9-36.600111.2F335 G337 R366 G550 C552F335-Q339 VanDerWaalsContact CD1-NE2 3.26Å; F335-Q339 VanDerWaalsContact CE1-NE2 3.34Å; G337-Q339 PolarHBondContact O-N 3.25Å; G337-Q339 PolarHBondContact O-NE2 2.91Å; Q339-R366 VanDerWaalsContact CD-NH1 3.27Å; Q339-R366 VanDerWaalsContact OE1-NH1 3.1Å; Q339-G550 PolarHBondContact N-O 3.28Å; Q339-C552 PolarHBondContact O-N 3.09Å
340P93.2Very high81.7Confident30 Ų3057.3 Ų57.320%0.19528%0.279CS..EExtended strand (participates in β ladder)trans-75145.317728.4-33.9000113.1T555 K557P340-T555 CarbonylContact C-O 3.53Å; P340-T555 WeakPolarHBondContact CA-O 3.44Å; P340-T555 HydrophobicContact CB-CG2 3.83Å; P340-T555 WeakPolarHBondContact CB-O 3.42Å; P340-K557 HydrophobicContact CB-CB 4.16Å; P340-K557 HydrophobicContact CB-CD 4.44Å; P340-K557 HydrophobicContact CB-CG 4.45Å; P340-K557 HydrophobicContact CG-CB 4.35Å; P340-K557 HydrophobicContact CG-CD 4.13Å; P340-K557 PolarHBondContact O-NZ 3.35Å
341V90.7Very high84.2Confident33 Ų3347 Ų4720%0.223%0.234CC..EExtended strand (participates in β ladder)trans-91.2143.4175.3179.70000110.3T551 T555 L556 K557V341-T551 HydrophobicContact CG2-CG2 3.66Å; V341-T555 PolarHBondContact N-O 2.71Å; V341-L556 CarbonylContact O-C 3.58Å; V341-L556 WeakPolarHBondContact O-CA 3.05Å; V341-K557 PolarHBondContact O-N 2.86Å
342S91.2Very high86.6Confident13 Ų1341.9 Ų41.99%0.09122%0.217CC..EExtended strand (participates in β ladder)trans-64.3140.6177.2-61.70000111T344 N347 K557S342-T344 PolarHBondContact O-N 2.93Å; S342-N347 PolarHBondContact O-ND2 3.46Å; S342-K557 CarbonylContact C-O 3.55Å; S342-K557 WeakPolarHBondContact CA-O 3.35Å; S342-K557 WeakPolarHBondContact OG-CE 3.45Å
343I91.7Very high88.2Confident5 Ų542 Ų423%0.02621%0.212CC..PPolyproline II helixtrans-63.3133.2168.6-73.6-163.7000109.3N347 V348 L351 F538 L556 K557 W558 S649 V654 L659I343-N347 WeakPolarHBondContact CA-OD1 3.32Å; I343-V348 HydrophobicContact CG2-CB 4.16Å; I343-V348 HydrophobicContact CG2-CG2 4.24Å; I343-L351 HydrophobicContact CD1-CD1 4.07Å; I343-F538 HydrophobicContact CD1-CD2 3.62Å; I343-F538 HydrophobicContact CD1-CE2 3.56Å; I343-F538 HydrophobicContact CD1-CZ 4.49Å; I343-L556 HydrophobicContact CD1-CB 4.11Å; I343-L556 HydrophobicContact CD1-CD1 4.26Å; I343-L556 HydrophobicContact CG1-CB 3.68Å; I343-L556 HydrophobicContact CG1-CD1 4.15Å; I343-L556 HydrophobicContact CG1-CG 4.42Å; I343-K557 PolarHBondContact N-O 3Å; I343-W558 HydrophobicContact CB-CB 4.37Å; I343-W558 HydrophobicContact CD1-CB 4.03Å; I343-W558 HydrophobicContact CG1-CB 4.27Å; I343-S649 WeakPolarHBondContact O-CB 3.22Å; I343-V654 HydrophobicContact CG2-CB 3.82Å; I343-V654 HydrophobicContact CG2-CG1 4.05Å; I343-V654 HydrophobicContact CG2-CG2 3.67Å; I343-L659 HydrophobicContact CD1-CD2 3.76Å; I343-L659 HydrophobicContact CG2-CD2 4.45Å
344T88.6Confident89.2Confident7 Ų740.8 Ų40.84%0.04321%0.21CC..  trans-133.5171.5173.678.40000110S342 R346 N347 V348 A645 E648S342-T344 PolarHBondContact O-N 2.93Å; T344-R346 PolarHBondContact O-N 3.29Å; T344-R346 PolarHBondContact OG1-N 2.89Å; T344-N347 PolarHBondContact N-OD1 3.3Å; T344-N347 PolarHBondContact O-N 2.98Å; T344-N347 PolarHBondContact O-OD1 3.36Å; T344-V348 WeakPolarHBondContact O-CB 3.44Å; T344-V348 PolarHBondContact O-N 3.1Å; T344-V348 VanDerWaalsContact O-N 3.09Å; T344-A645 HydrophobicContact CG2-CB 4.44Å; T344-E648 WeakPolarHBondContact CB-OE1 3.47Å; T344-E648 HydrophobicContact CG2-CB 4.34Å; T344-E648 HydrophobicContact CG2-CG 4.21Å; T344-E648 PolarHBondContact OG1-OE1 2.62Å; T344-E648 VanDerWaalsContact OG1-OE1 3.11Å
345Q84.9Confident90Very high80 Ų8035.9 Ų35.937%0.37420%0.197SC..THydrogen-bonded Turntrans-60-26.7177.2-61.9-61.9-18.400112.3Y652 P653Q345-Y652 PolarHBondContact NE2-O 3.36Å; Q345-Y652 VanDerWaalsContact NE2-O 3.16Å; Q345-P653 PolarHBondContact NE2-O 3.11Å
346R82Confident90.6Very high97 Ų9735.4 Ų35.437%0.36619%0.194SC..THydrogen-bonded Turntrans-76.4-38.3-179.8-59.6-173.8-161.5102.437.3113.8N148 Y149 T344 E648N148-R346 PolarHBondContact O-NH1 2.82Å; Y149-R346 VanDerWaalsContact C-NH1 3.3Å; T344-R346 PolarHBondContact O-N 3.29Å; T344-R346 PolarHBondContact OG1-N 2.89Å; R346-E648 IonicContact CZ-OE1 2.68Å; R346-E648 IonicContact CZ-OE2 2.75Å; R346-E648 IonicContact NE-OE1 2.83Å; R346-E648 VanDerWaalsContact NH1-CD 3.31Å; R346-E648 IonicContact NH1-OE1 2.69Å; R346-E648 PolarHBondContact NH1-OE1 3.42Å; R346-E648 IonicContact NH1-OE2 3.71Å; R346-E648 PolarHBondContact NH1-OE2 3.03Å; R346-E648 IonicContact NH2-OE1 2.66Å; R346-E648 PolarHBondContact NH2-OE1 3.49Å; R346-E648 IonicContact NH2-OE2 3.88Å; R346-E648 PolarHBondContact NH2-OE2 3.26Å; R346-E648 VanDerWaalsContact NH2-OE2 3.14Å
347N89.2Confident91Very high34 Ų3433.2 Ų33.218%0.18219%0.185CC..THydrogen-bonded Turntrans-100.3-11.9-172.970.317.2000113.7S342 I343 T344 A349 A350 L556S342-N347 PolarHBondContact O-ND2 3.46Å; I343-N347 WeakPolarHBondContact CA-OD1 3.32Å; T344-N347 PolarHBondContact N-OD1 3.3Å; T344-N347 PolarHBondContact O-N 2.98Å; T344-N347 PolarHBondContact O-OD1 3.36Å; N347-A349 PolarHBondContact O-N 3.05Å; N347-A349 VanDerWaalsContact O-N 3.15Å; N347-A350 WeakPolarHBondContact O-CB 3.14Å; N347-A350 PolarHBondContact O-N 2.81Å; N347-L556 HydrophobicContact CB-CD2 4.46Å
348V91.3Very high91.3Very high13 Ų1333.2 Ų33.28%0.07919%0.185CC..THydrogen-bonded Turntrans-59.5-29.4-179.771.20000112.6I343 T344 A350 L351 V654 L659I343-V348 HydrophobicContact CG2-CB 4.16Å; I343-V348 HydrophobicContact CG2-CG2 4.24Å; T344-V348 WeakPolarHBondContact O-CB 3.44Å; T344-V348 PolarHBondContact O-N 3.1Å; T344-V348 VanDerWaalsContact O-N 3.09Å; V348-A350 PolarHBondContact O-N 2.81Å; V348-A350 VanDerWaalsContact O-N 3.1Å; V348-L351 HydrophobicContact CG2-CD1 4.33Å; V348-L351 WeakPolarHBondContact O-CB 3.44Å; V348-L351 PolarHBondContact O-N 3.21Å; V348-V654 HydrophobicContact CB-CG2 4.35Å; V348-V654 HydrophobicContact CG2-CG1 3.93Å; V348-L659 HydrophobicContact CG2-CD2 4.14Å
349A90Very high91.5Very high44 Ų4432.8 Ų32.836%0.36418%0.182SC..THydrogen-bonded Turntrans-60-19.4174.500000113.4N347 L351 V352 N353N347-A349 PolarHBondContact O-N 3.05Å; N347-A349 VanDerWaalsContact O-N 3.15Å; A349-L351 PolarHBondContact O-N 2.72Å; A349-V352 WeakPolarHBondContact O-CB 3.35Å; A349-V352 PolarHBondContact O-N 3Å; A349-N353 PolarHBondContact O-N 3.01Å; A349-N353 VanDerWaalsContact O-N 3.1Å; A349-N353 PolarHBondContact O-ND2 3.39Å
350A91.1Very high91.7Very high24 Ų2431.6 Ų31.620%0.19818%0.175CC..Hα-helixtrans-59.9-33172.700000112N347 V348 V352 N353 S354 Y356 L556N347-A350 WeakPolarHBondContact O-CB 3.14Å; N347-A350 PolarHBondContact O-N 2.81Å; V348-A350 PolarHBondContact O-N 2.81Å; V348-A350 VanDerWaalsContact O-N 3.1Å; A350-V352 PolarHBondContact O-N 2.9Å; A350-N353 PolarHBondContact O-N 3.26Å; A350-S354 WeakPolarHBondContact O-CB 3.42Å; A350-S354 PolarHBondContact O-N 3.4Å; A350-S354 PolarHBondContact O-OG 3.39Å; A350-Y356 HydrophobicContact CB-CE2 4.06Å; A350-Y356 WeakPolarHBondContact O-CE2 3.28Å; A350-L556 HydrophobicContact CB-CD1 4.29Å
351L92.5Very high91.7Very high0 Ų032 Ų320%017%0.174CC..Hα-helixtrans-66.7-22.4175.4-59.9-176.8000112.7I343 V348 A349 Y356 L514 F538 L556 L659 C662 R666I343-L351 HydrophobicContact CD1-CD1 4.07Å; V348-L351 HydrophobicContact CG2-CD1 4.33Å; V348-L351 WeakPolarHBondContact O-CB 3.44Å; V348-L351 PolarHBondContact O-N 3.21Å; A349-L351 PolarHBondContact O-N 2.72Å; L351-Y356 HydrophobicContact CD2-CD1 4.27Å; L351-Y356 HydrophobicContact CD2-CD2 3.98Å; L351-Y356 HydrophobicContact CD2-CE2 4.26Å; L351-Y356 HydrophobicContact CD2-CG 3.98Å; L351-L514 HydrophobicContact CD2-CD1 4.4Å; L351-F538 HydrophobicContact CD1-CD1 4.2Å; L351-F538 HydrophobicContact CD1-CE1 3.97Å; L351-F538 HydrophobicContact CD1-CE2 4.39Å; L351-F538 HydrophobicContact CD1-CG 4.5Å; L351-F538 HydrophobicContact CD1-CZ 4.07Å; L351-F538 HydrophobicContact CD2-CB 3.88Å; L351-F538 HydrophobicContact CD2-CD1 3.56Å; L351-F538 HydrophobicContact CD2-CD2 4.42Å; L351-F538 HydrophobicContact CD2-CE1 4.16Å; L351-F538 HydrophobicContact CD2-CG 3.7Å; L351-L556 HydrophobicContact CD2-CD1 4.26Å; L351-L659 HydrophobicContact CD1-CD2 3.77Å; L351-C662 HydrophobicContact CB-CB 4.42Å; L351-R666 WeakPolarHBondContact O-CD 3.45Å
352V92.2Very high91.8Very high20 Ų2030.5 Ų30.512%0.12117%0.165CC..Hα-helixtrans-82.5-42.8173.6-174.40000110.4A349 A350 C662 Q665 R666A349-V352 WeakPolarHBondContact O-CB 3.35Å; A349-V352 PolarHBondContact O-N 3Å; A350-V352 PolarHBondContact O-N 2.9Å; V352-C662 HydrophobicContact CG2-CB 3.84Å; V352-Q665 HydrophobicContact CG1-CB 4.35Å; V352-Q665 HydrophobicContact CG2-CB 4.48Å; V352-R666 WeakPolarHBondContact O-CG 3.33Å; V352-R666 PolarHBondContact O-NH1 3.18Å
353N90.3Very high91.7Very high98 Ų9834.2 Ų34.252%0.52418%0.184SC..Hα-helixtrans-96.2-17.5-164.7-67.4-42.4000115.4A349 A350 K669A349-N353 PolarHBondContact O-N 3.01Å; A349-N353 VanDerWaalsContact O-N 3.1Å; A349-N353 PolarHBondContact O-ND2 3.39Å; A350-N353 PolarHBondContact O-N 3.26Å; N353-K669 PolarHBondContact OD1-NZ 3.1Å
354S91.2Very high91.7Very high51 Ų5135 Ų3536%0.35719%0.193SC..SBendtrans-127.1162.1-173.5-35.20000112.4A350 Y356 R666A350-S354 WeakPolarHBondContact O-CB 3.42Å; A350-S354 PolarHBondContact O-N 3.4Å; A350-S354 PolarHBondContact O-OG 3.39Å; S354-Y356 PolarHBondContact O-N 3.48Å; S354-R666 VanDerWaalsContact C-NH1 3.33Å; S354-R666 PolarHBondContact O-NH1 3.29Å
355D93.5Very high91.9Very high73 Ų7337 Ų3739%0.3921%0.205SC..  trans-79.2116.8179.7-63.4-21.4000110.3P540 C541 R666D355-P540 WeakPolarHBondContact O-CA 3.36Å; D355-C541 PolarHBondContact O-N 3.3Å; D355-R666 IonicContact OD1-CZ 3.92Å; D355-R666 IonicContact OD1-NH1 3.07Å; D355-R666 IonicContact OD1-NH2 3.29Å; D355-R666 PolarHBondContact OD1-NH2 2.74Å
356Y96.4Very high92.3Very high16 Ų1634 Ų346%0.06319%0.191CC..EExtended strand (participates in β ladder)trans-126.2152.7176.4-79.6-92.2000111.4A350 L351 S354 L514 F538 Q539 P540 Q554 L556A350-Y356 HydrophobicContact CB-CE2 4.06Å; A350-Y356 WeakPolarHBondContact O-CE2 3.28Å; L351-Y356 HydrophobicContact CD2-CD1 4.27Å; L351-Y356 HydrophobicContact CD2-CD2 3.98Å; L351-Y356 HydrophobicContact CD2-CE2 4.26Å; L351-Y356 HydrophobicContact CD2-CG 3.98Å; S354-Y356 PolarHBondContact O-N 3.48Å; Y356-L514 WeakPolarHBondContact O-CB 3.37Å; Y356-F538 HydrophobicContact CD1-CB 3.61Å; Y356-F538 HydrophobicContact CE1-CB 4.02Å; Y356-F538 HydrophobicContact CG-CB 4.4Å; Y356-Q539 WeakPolarHBondContact CA-O 3.45Å; Y356-Q539 VanDerWaalsContact CD1-C 3.49Å; Y356-P540 HydrophobicContact CD1-CB 4.38Å; Y356-P540 HydrophobicContact CE1-CB 4.05Å; Y356-Q554 WeakPolarHBondContact CE1-O 3.25Å; Y356-Q554 PolarHBondContact OH-O 3.29Å; Y356-L556 HydrophobicContact CE1-CD1 4.4Å; Y356-L556 HydrophobicContact CE1-CG 4.34Å
357C96.4Very high93Very high2 Ų229.4 Ų29.41%0.01417%0.173CC..EExtended strand (participates in β ladder)trans-116.3161.8157.764.50000109.1F473 F474 F511 R512 F538 Q539C357-F473 WeakPolarHBondContact SG-CE1 3.36Å; C357-F474 HydrophobicContact CB-CZ 4.26Å; C357-F511 HydrophobicContact CB-CB 4.43Å; C357-F511 HydrophobicContact CB-CD1 4.44Å; C357-F511 WeakPolarHBondContact SG-CD1 3.49Å; C357-R512 WeakPolarHBondContact CB-O 3.31Å; C357-F538 WeakPolarHBondContact O-CA 3.35Å; C357-Q539 PolarHBondContact N-O 3.03Å; C357-Q539 PolarHBondContact O-N 2.81Å; C357-Q539 PolarHBondContact SG-O 3.36Å; C357-Q539 VanDerWaalsContact SG-O 3.38Å
358V97.4Very high93.4Very high0 Ų027.9 Ų27.90%017%0.165CC..EExtended strand (participates in β ladder)trans-128.6143.3-172.461.80000111.1R512 A513 L520 L536 V537 F538V358-R512 HydrophobicContact CG1-CB 4.37Å; V358-R512 PolarHBondContact N-O 2.89Å; V358-R512 PolarHBondContact O-N 3.33Å; V358-A513 WeakPolarHBondContact CG1-O 3.17Å; V358-L520 HydrophobicContact CB-CD1 4.18Å; V358-L520 HydrophobicContact CG1-CD1 3.59Å; V358-L520 HydrophobicContact CG2-CD1 3.72Å; V358-L536 HydrophobicContact CG2-CB 4.38Å; V358-L536 HydrophobicContact CG2-CD1 4.33Å; V358-L536 HydrophobicContact CG2-CD2 4.48Å; V358-V537 WeakPolarHBondContact CA-O 3.45Å; V358-F538 HydrophobicContact CB-CD1 4.05Å; V358-F538 HydrophobicContact CB-CE1 4.18Å; V358-F538 HydrophobicContact CG2-CD1 3.87Å; V358-F538 HydrophobicContact CG2-CE1 3.7Å; V358-F538 HydrophobicContact CG2-CZ 4.25Å
359T96.5Very high93.8Very high3 Ų327.3 Ų27.32%0.01816%0.162CC..EExtended strand (participates in β ladder)trans-140.9164.5171.6-168.80000110.2K509 A510 F511 L536 V537T359-K509 HydrophobicContact CG2-CD 4.41Å; T359-K509 WeakPolarHBondContact OG1-CE 3.1Å; T359-A510 WeakPolarHBondContact CB-O 3.41Å; T359-A510 PolarHBondContact OG1-O 3.15Å; T359-F511 HydrophobicContact CG2-CD1 3.89Å; T359-F511 HydrophobicContact CG2-CE1 3.45Å; T359-F511 VanDerWaalsContact CG2-CE1 3.45Å; T359-F511 HydrophobicContact CG2-CE2 4.48Å; T359-F511 HydrophobicContact CG2-CZ 3.81Å; T359-L536 WeakPolarHBondContact O-CA 3.1Å; T359-V537 HydrophobicContact CG2-CB 3.98Å; T359-V537 PolarHBondContact N-O 2.94Å; T359-V537 PolarHBondContact O-N 2.58Å
360Y94.8Very high94.2Very high20 Ų2025.2 Ų25.28%0.07814%0.144CC..EExtended strand (participates in β ladder)trans-69.3145.5171.256.5-95.7000110.5A362 L456 K509 F525 L529 H531 T533Y360-A362 HydrophobicContact CD2-CB 4.21Å; Y360-A362 HydrophobicContact CE2-CB 4.09Å; Y360-A362 PolarHBondContact O-N 2.96Å; Y360-L456 HydrophobicContact CE2-CD1 4.39Å; Y360-K509 WeakPolarHBondContact O-CE 3.3Å; Y360-K509 PolarHBondContact O-NZ 3.48Å; Y360-F525 HydrophobicContact CD1-CE1 4.07Å; Y360-F525 AromaticContact CD1-CZ 3.94Å; Y360-F525 HydrophobicContact CD1-CZ 3.94Å; Y360-F525 HydrophobicContact CE1-CZ 4.46Å; Y360-L529 HydrophobicContact CD1-CD1 4.06Å; Y360-L529 HydrophobicContact CD1-CD2 4.21Å; Y360-L529 HydrophobicContact CD2-CD1 4.29Å; Y360-L529 HydrophobicContact CE1-CD1 4.46Å; Y360-L529 HydrophobicContact CE1-CD2 3.9Å; Y360-L529 HydrophobicContact CG-CD1 3.96Å; Y360-H531 AromaticContact CD2-NE2 3.81Å; Y360-H531 AromaticContact CE2-CE1 3.76Å; Y360-H531 AromaticContact CE2-NE2 3.06Å; Y360-H531 WeakPolarHBondContact CE2-NE2 3.45Å; Y360-H531 AromaticContact CZ-CE1 3.87Å; Y360-H531 AromaticContact CZ-NE2 3.65Å; Y360-T533 HydrophobicContact CD2-CG2 3.72Å; Y360-T533 HydrophobicContact CG-CG2 4.1Å
361K94.2Very high94.5Very high40 Ų4024 Ų2417%0.17414%0.135CC..EExtended strand (participates in β ladder)trans-83.7109.3168.4-167.1-175.4164.6-62.20107.5T533 D534 G535 V537K361-T533 WeakPolarHBondContact O-CA 3.5Å; K361-T533 WeakPolarHBondContact O-CB 3.19Å; K361-D534 WeakPolarHBondContact CB-OD1 3.34Å; K361-D534 WeakPolarHBondContact CD-OD1 3.47Å; K361-D534 WeakPolarHBondContact CE-OD1 3.33Å; K361-D534 WeakPolarHBondContact CG-OD1 3.16Å; K361-D534 IonicContact NZ-OD1 3.99Å; K361-D534 PolarHBondContact NZ-OD1 3.27Å; K361-D534 IonicContact NZ-OD2 3.14Å; K361-D534 PolarHBondContact NZ-OD2 2.76Å; K361-D534 PolarHBondContact O-N 2.94Å; K361-D534 VanDerWaalsContact O-N 3.09Å; K361-G535 VanDerWaalsContact CB-C 3.48Å; K361-G535 WeakPolarHBondContact CB-O 3.2Å; K361-G535 PolarHBondContact N-O 3.45Å; K361-V537 HydrophobicContact CB-CG2 3.95Å; K361-V537 HydrophobicContact CG-CG2 3.98Å
362A92.4Very high94.7Very high0 Ų024.8 Ų24.80%014%0.139CC..EExtended strand (participates in β ladder)trans-73.8151.7176.400000108.8Y360 E431 V433Y360-A362 HydrophobicContact CD2-CB 4.21Å; Y360-A362 HydrophobicContact CE2-CB 4.09Å; Y360-A362 PolarHBondContact O-N 2.96Å; A362-E431 VanDerWaalsContact O-OE1 3.11Å; A362-V433 HydrophobicContact CB-CG1 3.83Å
363D89.3Confident94.8Very high91 Ų9124.1 Ų24.149%0.48714%0.136SC..  trans-98.880171.618038000108S532D363-S532 WeakPolarHBondContact CB-OG 3.35Å; D363-S532 PolarHBondContact N-O 3.07Å; D363-S532 PolarHBondContact OD2-OG 2.86Å
364G90.7Very high94.8Very high22 Ų2222.3 Ų22.323%0.22713%0.129CC..SBendtrans-135.9-171.8179.300000112.2E431 L432G364-E431 WeakPolarHBondContact CA-OE1 3.46Å; G364-E431 PolarHBondContact N-OE1 3.08Å; G364-L432 CarbonylContact C-O 3.57Å; G364-L432 WeakPolarHBondContact CA-O 3.28Å
365T93Very high94.8Very high48 Ų4822.3 Ų22.329%0.29414%0.137SC..EExtended strand (participates in β ladder)trans-103.3123.6175.6-52.60000110Y367 E431 L432T365-Y367 HydrophobicContact CG2-CD2 4.37Å; T365-Y367 HydrophobicContact CG2-CE1 4.27Å; T365-Y367 HydrophobicContact CG2-CE2 3.54Å; T365-Y367 VanDerWaalsContact CG2-CZ 3.46Å; T365-Y367 WeakPolarHBondContact CG2-OH 3.42Å; T365-Y367 WeakPolarHBondContact O-CD2 3.45Å; T365-Y367 WeakPolarHBondContact O-CE2 3.32Å; T365-E431 WeakPolarHBondContact O-CA 3.3Å; T365-L432 PolarHBondContact N-O 3.36Å; T365-L432 PolarHBondContact O-N 2.98Å
366R94.5Very high94.9Very high18 Ų1823 Ų237%0.06813%0.134CC..EExtended strand (participates in β ladder)trans-75.1132.3179.9-179.5176.6-176.21748.7111.2S338 Q339 D429 Y458S338-R366 PolarHBondContact O-NH1 3.12Å; S338-R366 PolarHBondContact O-NH2 3.2Å; Q339-R366 VanDerWaalsContact CD-NH1 3.27Å; Q339-R366 VanDerWaalsContact OE1-NH1 3.1Å; R366-D429 IonicContact CZ-OD1 3.23Å; R366-D429 IonicContact CZ-OD2 2.85Å; R366-D429 IonicContact NE-OD1 3.87Å; R366-D429 PolarHBondContact NE-OD1 3.44Å; R366-D429 IonicContact NE-OD2 3.23Å; R366-D429 IonicContact NH2-OD1 2.67Å; R366-D429 PolarHBondContact NH2-OD1 3.37Å; R366-D429 IonicContact NH2-OD2 3.03Å; R366-D429 PolarHBondContact NH2-OD2 3.32Å; R366-Y458 WeakPolarHBondContact CD-OH 3.4Å; R366-Y458 WeakPolarHBondContact CG-OH 3.4Å; R366-Y458 PolarHBondContact NE-OH 3.5Å
367Y96.9Very high95Very high0 Ų022.4 Ų22.40%013%0.132CC..EExtended strand (participates in β ladder)trans-137147.8169.2-55.6-91000110.9F260 M261 T365 L379 I380 D381 Y387 G430 L432 F455F260-Y367 AromaticContact CD2-CE1 3.92Å; F260-Y367 HydrophobicContact CD2-CE1 3.92Å; F260-Y367 AromaticContact CD2-CZ 3.69Å; F260-Y367 WeakPolarHBondContact CD2-OH 3.4Å; F260-Y367 AromaticContact CE2-CE1 3.95Å; F260-Y367 HydrophobicContact CE2-CE1 3.95Å; F260-Y367 HydrophobicContact CE2-CE2 4.1Å; F260-Y367 AromaticContact CE2-CZ 3.58Å; F260-Y367 WeakPolarHBondContact CE2-OH 3.47Å; M261-Y367 PolarHBondContact N-OH 3.43Å; M261-Y367 VanDerWaalsContact N-OH 3.12Å; T365-Y367 HydrophobicContact CG2-CD2 4.37Å; T365-Y367 HydrophobicContact CG2-CE1 4.27Å; T365-Y367 HydrophobicContact CG2-CE2 3.54Å; T365-Y367 VanDerWaalsContact CG2-CZ 3.46Å; T365-Y367 WeakPolarHBondContact CG2-OH 3.42Å; T365-Y367 WeakPolarHBondContact O-CD2 3.45Å; T365-Y367 WeakPolarHBondContact O-CE2 3.32Å; Y367-L379 HydrophobicContact CD1-CB 3.9Å; Y367-L379 HydrophobicContact CG-CB 4.07Å; Y367-I380 CarbonylContact C-O 3.55Å; Y367-I380 VanDerWaalsContact CA-O 3.28Å; Y367-I380 WeakPolarHBondContact CA-O 3.49Å; Y367-D381 HydrophobicContact CD1-CB 3.75Å; Y367-D381 HydrophobicContact CE1-CB 3.69Å; Y367-Y387 HydrophobicContact CD1-CD2 4.22Å; Y367-Y387 HydrophobicContact CD1-CE2 4.33Å; Y367-Y387 AromaticContact CE1-CD2 3.81Å; Y367-Y387 HydrophobicContact CE1-CD2 3.81Å; Y367-Y387 AromaticContact CE1-CE2 3.7Å; Y367-Y387 HydrophobicContact CE1-CE2 3.7Å; Y367-G430 PolarHBondContact N-O 3.22Å; Y367-G430 VanDerWaalsContact N-O 3.11Å; Y367-G430 PolarHBondContact O-N 2.9Å; Y367-G430 VanDerWaalsContact O-O 3.08Å; Y367-L432 HydrophobicContact CD2-CB 3.98Å; Y367-L432 HydrophobicContact CE2-CB 3.84Å; Y367-L432 HydrophobicContact CE2-CD2 4.06Å; Y367-F455 HydrophobicContact CD2-CE2 4.43Å
368L97.7Very high95.1Very high3 Ų322.3 Ų22.32%0.01613%0.132CC..EExtended strand (participates in β ladder)trans-80.1135154.2-63.9176.8000108.3F335 L379 I380 L427 L428 D429 I461F335-L368 HydrophobicContact CE2-CD1 3.85Å; F335-L368 HydrophobicContact CE2-CG 3.77Å; F335-L368 HydrophobicContact CZ-CD1 4.07Å; F335-L368 HydrophobicContact CZ-CD2 4.36Å; F335-L368 HydrophobicContact CZ-CG 3.71Å; L368-L379 CarbonylContact O-C 3.59Å; L368-L379 WeakPolarHBondContact O-CA 3.47Å; L368-I380 HydrophobicContact CB-CB 4.44Å; L368-I380 PolarHBondContact N-O 2.71Å; L368-I380 PolarHBondContact O-N 3.5Å; L368-L427 HydrophobicContact CB-CD1 4.14Å; L368-L428 CarbonylContact C-O 3.33Å; L368-L428 WeakPolarHBondContact CA-O 3.1Å; L368-D429 HydrophobicContact CD2-CB 3.88Å; L368-I461 HydrophobicContact CD2-CD1 4.09Å
369M98.4Very high95.1Very high0 Ų022.3 Ų22.30%013%0.132CC..EExtended strand (participates in β ladder)trans-104.6113.7172.9179.9-174.2-70.800109.3I371 V377 Y378 L379 L392 F394 L428 F455 F504M369-I371 HydrophobicContact CG-CG1 4.36Å; M369-V377 HydrophobicContact CG-CG1 4.04Å; M369-V377 HydrophobicContact SD-CG1 4.43Å; M369-Y378 CarbonylContact C-O 3.55Å; M369-Y378 WeakPolarHBondContact CA-O 3.45Å; M369-L379 HydrophobicContact CB-CD2 3.88Å; M369-L379 HydrophobicContact CE-CD2 3.77Å; M369-L379 HydrophobicContact CG-CD2 4.04Å; M369-L392 HydrophobicContact CE-CD2 3.6Å; M369-L392 HydrophobicContact SD-CD2 3.97Å; M369-F394 HydrophobicContact CE-CZ 4.44Å; M369-F394 HydrophobicContact SD-CE1 4.26Å; M369-F394 HydrophobicContact SD-CE2 4.04Å; M369-F394 HydrophobicContact SD-CZ 3.42Å; M369-F394 WeakPolarHBondContact SD-CZ 3.34Å; M369-L428 HydrophobicContact CB-CB 4.26Å; M369-L428 PolarHBondContact N-O 3.13Å; M369-L428 PolarHBondContact O-N 3.02Å; M369-L428 HydrophobicContact SD-CD1 4.12Å; M369-F455 HydrophobicContact CB-CE1 4.04Å; M369-F455 HydrophobicContact CB-CZ 4.02Å; M369-F455 HydrophobicContact CE-CB 4.27Å; M369-F455 HydrophobicContact CE-CD1 3.44Å; M369-F455 VanDerWaalsContact CE-CD1 3.44Å; M369-F455 HydrophobicContact CE-CD2 4.21Å; M369-F455 HydrophobicContact CE-CE1 3.71Å; M369-F455 HydrophobicContact CE-CE2 4.45Å; M369-F455 HydrophobicContact CE-CG 3.7Å; M369-F455 HydrophobicContact CE-CZ 4.21Å; M369-F455 HydrophobicContact SD-CD1 4.49Å; M369-F455 HydrophobicContact SD-CE1 4.43Å; M369-F504 HydrophobicContact CE-CE2 3.85Å; M369-F504 HydrophobicContact CE-CZ 4.1Å
370L98.4Very high95.1Very high0 Ų022.2 Ų22.20%013%0.131CC..EExtended strand (participates in β ladder)trans-95.8120.3175174.866000109.3A280 L283 L287 M372 V377 Y378 L427A280-L370 HydrophobicContact CB-CD2 4.09Å; A280-L370 VanDerWaalsContact O-CD2 3.28Å; A280-L370 WeakPolarHBondContact O-CD2 3.49Å; L283-L370 HydrophobicContact CB-CD2 4.41Å; L283-L370 HydrophobicContact CD2-CD1 4.19Å; L283-L370 HydrophobicContact CD2-CD2 4.41Å; L283-L370 HydrophobicContact CG-CD1 4.28Å; L287-L370 HydrophobicContact CD1-CD1 3.53Å; L370-M372 HydrophobicContact CD1-CG 4.21Å; L370-M372 HydrophobicContact CD2-CG 3.68Å; L370-M372 HydrophobicContact CD2-SD 3.84Å; L370-M372 HydrophobicContact CG-CG 3.68Å; L370-M372 HydrophobicContact CG-SD 4.49Å; L370-V377 CarbonylContact O-C 3.52Å; L370-V377 WeakPolarHBondContact O-CA 3.42Å; L370-Y378 HydrophobicContact CD2-CD2 4.24Å; L370-Y378 PolarHBondContact N-O 3.45Å; L370-Y378 PolarHBondContact O-N 3Å; L370-L427 HydrophobicContact CB-CD1 4.07Å; L370-L427 HydrophobicContact CD1-CD1 4.24Å
371I98Very high95.1Very high0 Ų022 Ų220%013%0.131CC..EExtended strand (participates in β ladder)trans-106.9101.6172.7-55.9162.3000106.8M369 V377 F394 L423 F424 N425 T426 L428M369-I371 HydrophobicContact CG-CG1 4.36Å; I371-V377 HydrophobicContact CG1-CG1 4.34Å; I371-V377 HydrophobicContact CG1-CG2 4.45Å; I371-V377 HydrophobicContact CG2-CG2 4.27Å; I371-F394 HydrophobicContact CD1-CB 4.27Å; I371-F394 HydrophobicContact CD1-CD1 3.68Å; I371-F394 HydrophobicContact CD1-CD2 3.62Å; I371-F394 HydrophobicContact CD1-CE1 3.86Å; I371-F394 HydrophobicContact CD1-CE2 3.79Å; I371-F394 HydrophobicContact CD1-CG 3.58Å; I371-F394 HydrophobicContact CD1-CZ 3.92Å; I371-F394 HydrophobicContact CG1-CD2 3.88Å; I371-F394 HydrophobicContact CG1-CE2 3.91Å; I371-F394 HydrophobicContact CG1-CG 4.33Å; I371-F394 HydrophobicContact CG1-CZ 4.4Å; I371-F394 HydrophobicContact CG2-CD2 4.23Å; I371-L423 HydrophobicContact CD1-CD1 4.38Å; I371-L423 HydrophobicContact CG2-CB 4.07Å; I371-L423 VanDerWaalsContact CG2-O 3.29Å; I371-L423 WeakPolarHBondContact CG2-O 3.36Å; I371-F424 CarbonylContact O-C 3.5Å; I371-F424 VanDerWaalsContact O-C 3.27Å; I371-N425 WeakPolarHBondContact O-CA 3.39Å; I371-N425 PolarHBondContact O-N 2.83Å; I371-T426 HydrophobicContact CD1-CG2 4.21Å; I371-T426 PolarHBondContact N-O 2.89Å; I371-T426 PolarHBondContact O-N 3.05Å; I371-L428 HydrophobicContact CD1-CD1 3.83Å
372M96.3Very high94.8Very high16 Ų1627.4 Ų27.48%0.07915%0.151CC..EExtended strand (participates in β ladder)trans-84.6-28.4178.1-57.8-173.753.500112.1E279 L283 L370 R376 Y378 F424E279-M372 HydrophobicContact CG-CE 4.03Å; E279-M372 WeakPolarHBondContact OE1-CE 3.48Å; L283-M372 HydrophobicContact CD2-CB 4.47Å; L283-M372 HydrophobicContact CD2-CE 3.61Å; L283-M372 HydrophobicContact CD2-CG 3.74Å; L283-M372 HydrophobicContact CD2-SD 4.01Å; L370-M372 HydrophobicContact CD1-CG 4.21Å; L370-M372 HydrophobicContact CD2-CG 3.68Å; L370-M372 HydrophobicContact CD2-SD 3.84Å; L370-M372 HydrophobicContact CG-CG 3.68Å; L370-M372 HydrophobicContact CG-SD 4.49Å; M372-R376 HydrophobicContact CB-CB 3.92Å; M372-R376 WeakPolarHBondContact CB-O 3.4Å; M372-R376 PolarHBondContact N-O 2.7Å; M372-Y378 HydrophobicContact CG-CD2 4.09Å; M372-Y378 HydrophobicContact CG-CE2 3.9Å; M372-Y378 HydrophobicContact SD-CD2 3.88Å; M372-Y378 HydrophobicContact SD-CE2 3.4Å; M372-Y378 WeakPolarHBondContact SD-CE2 3.13Å; M372-F424 WeakPolarHBondContact O-CB 3.44Å
373G94.1Very high94.6Very high6 Ų629 Ų296%0.06217%0.166CC..EExtended strand (participates in β ladder)trans161.2-168.5-178.200000111.5G375 R376G373-G375 PolarHBondContact O-N 2.97Å; G373-R376 PolarHBondContact O-N 2.78Å; G373-R376 VanDerWaalsContact O-N 3.13Å
374P91.9Very high94.6Very high59 Ų5925.5 Ų25.538%0.38315%0.148SC..THydrogen-bonded Turntrans-53.5129.3176.1-23.832.4000112.2R376 L416 H422P374-R376 PolarHBondContact O-N 3.16Å; P374-L416 HydrophobicContact CB-CB 4.41Å; P374-L416 HydrophobicContact CB-CD2 3.98Å; P374-H422 HydrophobicContact CG-CB 3.74Å
375G91Very high94.8Very high51 Ų5125.2 Ų25.253%0.52614%0.14SC..THydrogen-bonded Turntrans66.64.1179.200000115.8G373 K388G373-G375 PolarHBondContact O-N 2.97Å; G375-K388 WeakPolarHBondContact O-CE 3.41Å
376R95.7Very high94.9Very high89 Ų8922.9 Ų22.934%0.33613%0.126SC..EExtended strand (participates in β ladder)trans-12565.9-175.7-61.3-175.771.3-1696.1110.2E279 M372 G373 P374 Y378E279-R376 IonicContact OE1-CZ 3.73Å; E279-R376 IonicContact OE1-NH1 3.78Å; E279-R376 IonicContact OE1-NH2 2.78Å; E279-R376 PolarHBondContact OE1-NH2 2.76Å; E279-R376 IonicContact OE2-NH2 2.77Å; E279-R376 PolarHBondContact OE2-NH2 3.22Å; M372-R376 HydrophobicContact CB-CB 3.92Å; M372-R376 WeakPolarHBondContact CB-O 3.4Å; M372-R376 PolarHBondContact N-O 2.7Å; G373-R376 PolarHBondContact O-N 2.78Å; G373-R376 VanDerWaalsContact O-N 3.13Å; P374-R376 PolarHBondContact O-N 3.16Å; R376-Y378 HydrophobicContact CB-CE2 3.95Å
377V97.7Very high95.1Very high3 Ų322 Ų222%0.01812%0.123CC..EExtended strand (participates in β ladder)trans-112.1134.2174.5-177.60000108.5M369 L370 I371 P389 L392 F394M369-V377 HydrophobicContact CG-CG1 4.04Å; M369-V377 HydrophobicContact SD-CG1 4.43Å; L370-V377 CarbonylContact O-C 3.52Å; L370-V377 WeakPolarHBondContact O-CA 3.42Å; I371-V377 HydrophobicContact CG1-CG1 4.34Å; I371-V377 HydrophobicContact CG1-CG2 4.45Å; I371-V377 HydrophobicContact CG2-CG2 4.27Å; V377-P389 VanDerWaalsContact O-CD 3.31Å; V377-P389 WeakPolarHBondContact O-CD 3.5Å; V377-L392 HydrophobicContact CG1-CB 4.39Å; V377-L392 HydrophobicContact CG1-CD2 4.1Å; V377-F394 HydrophobicContact CG1-CE2 4.16Å; V377-F394 HydrophobicContact CG2-CD2 4.19Å; V377-F394 HydrophobicContact CG2-CE2 4.16Å
378Y98.3Very high95.1Very high0 Ų024.3 Ų24.30%013%0.133CC..EExtended strand (participates in β ladder)trans-132.9147.3-176.3-52.4-85.1000110.8L270 E276 A280 M369 L370 M372 R376 V386 Y387 K388L270-Y378 HydrophobicContact CD1-CD1 3.93Å; L270-Y378 HydrophobicContact CD1-CE1 3.88Å; E276-Y378 HydrophobicContact CG-CE1 3.81Å; E276-Y378 WeakPolarHBondContact CG-OH 3.04Å; E276-Y378 VanDerWaalsContact OE1-CE1 3.27Å; E276-Y378 WeakPolarHBondContact OE1-CE1 3.5Å; E276-Y378 PolarHBondContact OE1-OH 2.93Å; A280-Y378 HydrophobicContact CB-CD1 4.3Å; A280-Y378 HydrophobicContact CB-CD2 4.11Å; A280-Y378 HydrophobicContact CB-CG 3.99Å; M369-Y378 CarbonylContact C-O 3.55Å; M369-Y378 WeakPolarHBondContact CA-O 3.45Å; L370-Y378 HydrophobicContact CD2-CD2 4.24Å; L370-Y378 PolarHBondContact N-O 3.45Å; L370-Y378 PolarHBondContact O-N 3Å; M372-Y378 HydrophobicContact CG-CD2 4.09Å; M372-Y378 HydrophobicContact CG-CE2 3.9Å; M372-Y378 HydrophobicContact SD-CD2 3.88Å; M372-Y378 HydrophobicContact SD-CE2 3.4Å; M372-Y378 WeakPolarHBondContact SD-CE2 3.13Å; R376-Y378 HydrophobicContact CB-CE2 3.95Å; Y378-V386 HydrophobicContact CD1-CG1 3.92Å; Y378-V386 HydrophobicContact CG-CG1 4.26Å; Y378-Y387 CarbonylContact C-O 3.54Å; Y378-Y387 WeakPolarHBondContact CA-O 3.36Å; Y378-K388 HydrophobicContact CD1-CB 4.19Å; Y378-K388 HydrophobicContact CD1-CG 4.31Å; Y378-K388 HydrophobicContact CE1-CB 4.37Å; Y378-K388 HydrophobicContact CE1-CD 4.04Å; Y378-K388 HydrophobicContact CE1-CG 4.17Å
379L98Very high95.1Very high0 Ų024.5 Ų24.50%013%0.134CC..EExtended strand (participates in β ladder)trans-107.7136.9167.2-60.3174.8000108.5F260 Y367 L368 M369 V386 Y387 P389 F455 F504F260-L379 HydrophobicContact CE2-CD1 3.75Å; F260-L379 HydrophobicContact CZ-CD1 4.01Å; Y367-L379 HydrophobicContact CD1-CB 3.9Å; Y367-L379 HydrophobicContact CG-CB 4.07Å; L368-L379 CarbonylContact O-C 3.59Å; L368-L379 WeakPolarHBondContact O-CA 3.47Å; M369-L379 HydrophobicContact CB-CD2 3.88Å; M369-L379 HydrophobicContact CE-CD2 3.77Å; M369-L379 HydrophobicContact CG-CD2 4.04Å; L379-V386 WeakPolarHBondContact O-CA 3.49Å; L379-Y387 HydrophobicContact CB-CD2 4.43Å; L379-Y387 PolarHBondContact N-O 2.67Å; L379-Y387 PolarHBondContact O-N 3.24Å; L379-P389 HydrophobicContact CD1-CG 4.21Å; L379-P389 HydrophobicContact CG-CG 4.14Å; L379-F455 HydrophobicContact CD2-CD2 4.44Å; L379-F455 HydrophobicContact CD2-CE2 4.12Å; L379-F504 HydrophobicContact CD1-CE1 3.97Å; L379-F504 HydrophobicContact CD1-CZ 3.87Å; L379-F504 HydrophobicContact CD2-CZ 4.37Å; L379-F504 HydrophobicContact CG-CZ 4.49Å
380I96Very high94.9Very high1 Ų128.5 Ų28.51%0.00516%0.155CC..EExtended strand (participates in β ladder)trans-126118.3179.9-55.5172.7000108.4S284 Y367 L368 F385 V386S284-I380 VanDerWaalsContact CB-CD1 3.44Å; Y367-I380 CarbonylContact C-O 3.55Å; Y367-I380 VanDerWaalsContact CA-O 3.28Å; Y367-I380 WeakPolarHBondContact CA-O 3.49Å; L368-I380 HydrophobicContact CB-CB 4.44Å; L368-I380 PolarHBondContact N-O 2.71Å; L368-I380 PolarHBondContact O-N 3.5Å; I380-F385 WeakPolarHBondContact CA-O 3.33Å; I380-V386 HydrophobicContact CG1-CG2 4.39Å
381D94.2Very high94.7Very high15 Ų1530.6 Ų30.68%0.0817%0.168CC..  trans-84.7-178.1-179.469.418.7000113.1F335 Y367 G383 N384 F385 Y387F335-D381 WeakPolarHBondContact CD2-O 3.49Å; F335-D381 VanDerWaalsContact CE2-O 3.29Å; F335-D381 WeakPolarHBondContact CE2-O 3.4Å; Y367-D381 HydrophobicContact CD1-CB 3.75Å; Y367-D381 HydrophobicContact CE1-CB 3.69Å; D381-G383 PolarHBondContact O-N 3.43Å; D381-G383 VanDerWaalsContact OD1-C 3.32Å; D381-G383 WeakPolarHBondContact OD1-CA 3.37Å; D381-G383 PolarHBondContact OD1-N 2.6Å; D381-N384 PolarHBondContact O-N 2.99Å; D381-N384 PolarHBondContact OD1-N 3.04Å; D381-F385 PolarHBondContact N-O 2.75Å; D381-F385 PolarHBondContact OD1-N 2.97Å; D381-F385 WeakPolarHBondContact OD2-CB 3.44Å; D381-F385 WeakPolarHBondContact OD2-CD2 3.36Å; D381-Y387 HydrophobicContact CB-CE2 4.01Å; D381-Y387 WeakPolarHBondContact OD2-CE2 3.14Å; D381-Y387 PolarHBondContact OD2-OH 3.42Å
382R88.9Confident94.4Very high154 Ų15430.9 Ų30.958%0.58117%0.17SC*.THydrogen-bonded Turntrans-63.8-22.1177.1-68.8-174.7178.9155.24114.2F335 N384F335-R382 WeakPolarHBondContact CB-O 3.18Å; F335-R382 HydrophobicContact CD1-CG 4.28Å; F335-R382 HydrophobicContact CE1-CG 4.31Å; R382-N384 VanDerWaalsContact C-N 3.25Å
383G87Confident94.3Very high32 Ų3231.7 Ų31.733%0.3317%0.173SC..THydrogen-bonded Turntrans-81.4-3.2172.600000113.1P254 D381 F385P254-G383 WeakPolarHBondContact CB-O 3.26Å; D381-G383 PolarHBondContact O-N 3.43Å; D381-G383 VanDerWaalsContact OD1-C 3.32Å; D381-G383 WeakPolarHBondContact OD1-CA 3.37Å; D381-G383 PolarHBondContact OD1-N 2.6Å; G383-F385 PolarHBondContact O-N 2.82Å
384N90.2Very high94.3Very high18 Ų1831.4 Ų31.410%0.09617%0.17CC..  trans61.922.2-167.7-62.1-69000113.7P254 R281 L333 F335 D381 R382P254-N384 HydrophobicContact CG-CB 4Å; P254-N384 WeakPolarHBondContact CG-O 3.28Å; R281-N384 PolarHBondContact NE-O 2.98Å; L333-N384 HydrophobicContact CB-CB 4.47Å; L333-N384 PolarHBondContact O-ND2 3.39Å; F335-N384 PolarHBondContact N-ND2 2.96Å; D381-N384 PolarHBondContact O-N 2.99Å; D381-N384 PolarHBondContact OD1-N 3.04Å; R382-N384 VanDerWaalsContact C-N 3.25Å
385F93.9Very high94.4Very high16 Ų1628.6 Ų28.67%0.0715%0.152CC..  trans-73.6140.4169-60.6-67.7000110P254 P255 P258 Q272 I380 D381 G383 Y387P254-F385 HydrophobicContact CB-CD1 4.32Å; P254-F385 HydrophobicContact CB-CE1 3.99Å; P254-F385 HydrophobicContact CB-CZ 4.34Å; P254-F385 HydrophobicContact CG-CD1 4.42Å; P255-F385 WeakPolarHBondContact O-CZ 3.42Å; P258-F385 HydrophobicContact CB-CB 3.97Å; P258-F385 HydrophobicContact CB-CD1 3.94Å; P258-F385 HydrophobicContact CB-CD2 4.41Å; P258-F385 HydrophobicContact CB-CG 3.86Å; Q272-F385 HydrophobicContact CG-CD1 3.91Å; Q272-F385 VanDerWaalsContact OE1-CA 3.27Å; I380-F385 WeakPolarHBondContact CA-O 3.33Å; D381-F385 PolarHBondContact N-O 2.75Å; D381-F385 PolarHBondContact OD1-N 2.97Å; D381-F385 WeakPolarHBondContact OD2-CB 3.44Å; D381-F385 WeakPolarHBondContact OD2-CD2 3.36Å; G383-F385 PolarHBondContact O-N 2.82Å; F385-Y387 HydrophobicContact CB-CE2 3.94Å; F385-Y387 WeakPolarHBondContact CB-OH 3.42Å; F385-Y387 WeakPolarHBondContact O-CE2 3.35Å
386V96.6Very high94.6Very high0 Ų026.5 Ų26.50%013%0.129CC..EExtended strand (participates in β ladder)trans-107.4128.7-174-171.70000110.2L270 Q272 A277 A280 R281 Y378 L379 I380L270-V386 HydrophobicContact CD1-CB 4.4Å; L270-V386 HydrophobicContact CD1-CG1 3.8Å; L270-V386 PolarHBondContact N-O 3.2Å; Q272-V386 PolarHBondContact NE2-O 2.91Å; A277-V386 HydrophobicContact CB-CB 4.28Å; A277-V386 HydrophobicContact CB-CG2 4.31Å; A280-V386 HydrophobicContact CB-CG1 3.89Å; R281-V386 HydrophobicContact CG-CG2 3.68Å; Y378-V386 HydrophobicContact CD1-CG1 3.92Å; Y378-V386 HydrophobicContact CG-CG1 4.26Å; L379-V386 WeakPolarHBondContact O-CA 3.49Å; I380-V386 HydrophobicContact CG1-CG2 4.39Å
387Y97.7Very high94.5Very high0 Ų023 Ų230%012%0.117CC..EExtended strand (participates in β ladder)trans-122.6149.2177.6-46.4-87.9000109.5P258 D259 F260 D268 V269 Y367 Y378 L379 D381 F385P258-Y387 HydrophobicContact CB-CE1 3.97Å; D259-Y387 PolarHBondContact N-OH 3.48Å; D259-Y387 VanDerWaalsContact N-OH 3.14Å; F260-Y387 HydrophobicContact CB-CD1 3.71Å; F260-Y387 HydrophobicContact CB-CE1 3.51Å; F260-Y387 AromaticContact CD2-CD1 3.65Å; F260-Y387 HydrophobicContact CD2-CD1 3.65Å; F260-Y387 AromaticContact CD2-CD2 3.93Å; F260-Y387 HydrophobicContact CD2-CD2 3.93Å; F260-Y387 HydrophobicContact CD2-CE1 4Å; F260-Y387 HydrophobicContact CD2-CE2 4.26Å; F260-Y387 AromaticContact CD2-CG 3.61Å; F260-Y387 HydrophobicContact CD2-CG 3.61Å; F260-Y387 HydrophobicContact CE2-CD2 4.49Å; F260-Y387 HydrophobicContact CE2-CG 4.23Å; F260-Y387 AromaticContact CG-CD1 3.93Å; F260-Y387 HydrophobicContact CG-CD1 3.93Å; F260-Y387 HydrophobicContact CG-CE1 4.16Å; F260-Y387 HydrophobicContact CG-CG 4.33Å; D268-Y387 CarbonylContact O-C 3.56Å; D268-Y387 WeakPolarHBondContact O-CA 3.41Å; V269-Y387 HydrophobicContact CB-CD1 4.31Å; V269-Y387 HydrophobicContact CG1-CD1 4.19Å; V269-Y387 HydrophobicContact CG1-CE1 4.08Å; V269-Y387 HydrophobicContact CG2-CD1 3.94Å; V269-Y387 HydrophobicContact CG2-CE1 4.1Å; Y367-Y387 HydrophobicContact CD1-CD2 4.22Å; Y367-Y387 HydrophobicContact CD1-CE2 4.33Å; Y367-Y387 AromaticContact CE1-CD2 3.81Å; Y367-Y387 HydrophobicContact CE1-CD2 3.81Å; Y367-Y387 AromaticContact CE1-CE2 3.7Å; Y367-Y387 HydrophobicContact CE1-CE2 3.7Å; Y378-Y387 CarbonylContact C-O 3.54Å; Y378-Y387 WeakPolarHBondContact CA-O 3.36Å; L379-Y387 HydrophobicContact CB-CD2 4.43Å; L379-Y387 PolarHBondContact N-O 2.67Å; L379-Y387 PolarHBondContact O-N 3.24Å; D381-Y387 HydrophobicContact CB-CE2 4.01Å; D381-Y387 WeakPolarHBondContact OD2-CE2 3.14Å; D381-Y387 PolarHBondContact OD2-OH 3.42Å; F385-Y387 HydrophobicContact CB-CE2 3.94Å; F385-Y387 WeakPolarHBondContact CB-OH 3.42Å; F385-Y387 WeakPolarHBondContact O-CE2 3.35Å
388K97.5Very high94.2Very high48 Ų4825.6 Ų25.621%0.20914%0.136CC..EExtended strand (participates in β ladder)trans-124.5107.3-177.2-175.7178.1-1761700110.4D268 L270 E276 G375 Y378 N390D268-K388 PolarHBondContact N-O 3.09Å; D268-K388 PolarHBondContact O-N 2.69Å; L270-K388 HydrophobicContact CD1-CB 4.4Å; L270-K388 HydrophobicContact CD2-CB 3.83Å; L270-K388 HydrophobicContact CD2-CD 4.15Å; L270-K388 HydrophobicContact CG-CB 4.1Å; E276-K388 IonicContact OE1-NZ 2.75Å; E276-K388 PolarHBondContact OE1-NZ 3.4Å; E276-K388 IonicContact OE2-NZ 3.9Å; G375-K388 WeakPolarHBondContact O-CE 3.41Å; Y378-K388 HydrophobicContact CD1-CB 4.19Å; Y378-K388 HydrophobicContact CD1-CG 4.31Å; Y378-K388 HydrophobicContact CE1-CB 4.37Å; Y378-K388 HydrophobicContact CE1-CD 4.04Å; Y378-K388 HydrophobicContact CE1-CG 4.17Å; K388-N390 PolarHBondContact O-N 3.02Å
389P96.7Very high93.9Very high6 Ų625.9 Ų25.94%0.03914%0.137CC..EExtended strand (participates in β ladder)trans-60133169.9-23.135000110.9V267 V377 L379 V391 L392 F504V267-P389 HydrophobicContact CG2-CB 4.38Å; V377-P389 VanDerWaalsContact O-CD 3.31Å; V377-P389 WeakPolarHBondContact O-CD 3.5Å; L379-P389 HydrophobicContact CD1-CG 4.21Å; L379-P389 HydrophobicContact CG-CG 4.14Å; P389-V391 VanDerWaalsContact C-N 3.31Å; P389-V391 PolarHBondContact O-N 3.46Å; P389-L392 HydrophobicContact CB-CB 4.22Å; P389-F504 HydrophobicContact CB-CE1 4.13Å; P389-F504 HydrophobicContact CB-CZ 4.45Å; P389-F504 HydrophobicContact CG-CE1 3.86Å; P389-F504 HydrophobicContact CG-CZ 3.93Å
390N95.2Very high93.5Very high84 Ų8425.9 Ų25.945%0.44914%0.137SC..SBendtrans-59.1-43.5-177.6-61.524.3000111.7K266 V267 D268 K388 S503K266-N390 HydrophobicContact CB-CB 4.36Å; K266-N390 PolarHBondContact O-N 3.5Å; K266-N390 PolarHBondContact O-OD1 3.47Å; V267-N390 PolarHBondContact N-OD1 3.42Å; D268-N390 PolarHBondContact OD2-OD1 3.19Å; K388-N390 PolarHBondContact O-N 3.02Å; N390-S503 PolarHBondContact N-OG 2.86Å; N390-S503 VanDerWaalsContact N-OG 3.15Å
391V93.7Very high93.2Very high45 Ų4532.8 Ų32.827%0.27316%0.163SC..SBendtrans-141.5112.7178.2-177.50000109.3P389 Q502 S503P389-V391 VanDerWaalsContact C-N 3.31Å; P389-V391 PolarHBondContact O-N 3.46Å; V391-Q502 CarbonylContact O-C 3.27Å; V391-Q502 WeakPolarHBondContact O-CA 3.5Å; V391-S503 PolarHBondContact N-OG 2.97Å; V391-S503 PolarHBondContact O-N 3.31Å; V391-S503 PolarHBondContact O-OG 3.27Å
392L93Very high92.9Very high5 Ų536.4 Ų36.43%0.02618%0.18CC..  trans-144.6119.1168.6-156.867.8000109.9M369 V377 P389 F394 Q502 F504 V506M369-L392 HydrophobicContact CE-CD2 3.6Å; M369-L392 HydrophobicContact SD-CD2 3.97Å; V377-L392 HydrophobicContact CG1-CB 4.39Å; V377-L392 HydrophobicContact CG1-CD2 4.1Å; P389-L392 HydrophobicContact CB-CB 4.22Å; L392-F394 HydrophobicContact CB-CE2 4.19Å; L392-F394 HydrophobicContact CD2-CE2 3.63Å; L392-F394 HydrophobicContact CD2-CZ 3.65Å; L392-F394 HydrophobicContact CG-CE2 3.58Å; L392-F394 HydrophobicContact CG-CZ 3.85Å; L392-Q502 HydrophobicContact CD1-CB 4.41Å; L392-F504 HydrophobicContact CD1-CD2 4.39Å; L392-F504 HydrophobicContact CD1-CE2 4.2Å; L392-F504 HydrophobicContact CD2-CE2 3.7Å; L392-F504 HydrophobicContact CD2-CZ 3.81Å; L392-V506 HydrophobicContact CD1-CG2 3.99Å; L392-V506 HydrophobicContact CD2-CG2 4.22Å
393H92.7Very high92.7Very high33 Ų3329.1 Ų29.115%0.15315%0.152CC..  trans-112.3135.4-169.4-68.2163000112.5F415 R488 V497 Q502H393-F415 HydrophobicContact CB-CE2 3.83Å; H393-F415 HydrophobicContact CB-CZ 3.52Å; H393-F415 AromaticContact CG-CZ 3.53Å; H393-F415 AromaticContact ND1-CZ 3.67Å; H393-R488 WeakPolarHBondContact O-CD 3.45Å; H393-R488 PolarHBondContact O-NE 3.23Å; H393-V497 HydrophobicContact CB-CG1 4.42Å; H393-Q502 PolarHBondContact ND1-NE2 3.24Å
394F94.9Very high92.4Very high0 Ų033.1 Ų33.10%016%0.162CC..  trans-132.278.7-179.3-64.4-88.5000111.1M369 I371 V377 L392 H422 L423 V484 R488M369-F394 HydrophobicContact CE-CZ 4.44Å; M369-F394 HydrophobicContact SD-CE1 4.26Å; M369-F394 HydrophobicContact SD-CE2 4.04Å; M369-F394 HydrophobicContact SD-CZ 3.42Å; M369-F394 WeakPolarHBondContact SD-CZ 3.34Å; I371-F394 HydrophobicContact CD1-CB 4.27Å; I371-F394 HydrophobicContact CD1-CD1 3.68Å; I371-F394 HydrophobicContact CD1-CD2 3.62Å; I371-F394 HydrophobicContact CD1-CE1 3.86Å; I371-F394 HydrophobicContact CD1-CE2 3.79Å; I371-F394 HydrophobicContact CD1-CG 3.58Å; I371-F394 HydrophobicContact CD1-CZ 3.92Å; I371-F394 HydrophobicContact CG1-CD2 3.88Å; I371-F394 HydrophobicContact CG1-CE2 3.91Å; I371-F394 HydrophobicContact CG1-CG 4.33Å; I371-F394 HydrophobicContact CG1-CZ 4.4Å; I371-F394 HydrophobicContact CG2-CD2 4.23Å; V377-F394 HydrophobicContact CG1-CE2 4.16Å; V377-F394 HydrophobicContact CG2-CD2 4.19Å; V377-F394 HydrophobicContact CG2-CE2 4.16Å; L392-F394 HydrophobicContact CB-CE2 4.19Å; L392-F394 HydrophobicContact CD2-CE2 3.63Å; L392-F394 HydrophobicContact CD2-CZ 3.65Å; L392-F394 HydrophobicContact CG-CE2 3.58Å; L392-F394 HydrophobicContact CG-CZ 3.85Å; F394-H422 PolarHBondContact N-NE2 3.15Å; F394-H422 CarbonylContact O-C 3.41Å; F394-H422 WeakPolarHBondContact O-CA 3.31Å; F394-L423 HydrophobicContact CB-CB 4.06Å; F394-L423 HydrophobicContact CB-CD1 3.98Å; F394-L423 HydrophobicContact CB-CG 4.08Å; F394-L423 HydrophobicContact CD1-CD1 4.5Å; F394-L423 PolarHBondContact O-N 3.31Å; F394-V484 HydrophobicContact CD1-CG1 3.84Å; F394-V484 HydrophobicContact CE1-CG1 3.88Å; F394-R488 HydrophobicContact CD1-CG 4.41Å
395P94Very high92Very high1 Ų141 Ų411%0.00620%0.196CC..BIsolated β-bridgetrans-63.6150176.228.6-35.5000111.3W399 I400 F415 G421 P487 V497P395-W399 HydrophobicContact CB-CE3 3.92Å; P395-W399 HydrophobicContact CB-CZ3 4.16Å; P395-I400 HydrophobicContact CB-CD1 4.09Å; P395-I400 HydrophobicContact CB-CG1 4.08Å; P395-I400 HydrophobicContact CG-CD1 4.09Å; P395-I400 HydrophobicContact CG-CG1 4.25Å; P395-F415 HydrophobicContact CB-CD2 3.94Å; P395-F415 HydrophobicContact CB-CE2 4.36Å; P395-F415 HydrophobicContact CB-CG 4.18Å; P395-G421 CarbonylContact C-O 3.57Å; P395-G421 WeakPolarHBondContact CA-O 3.3Å; P395-P487 HydrophobicContact CG-CB 4.17Å; P395-P487 WeakPolarHBondContact O-CB 3.4Å; P395-V497 HydrophobicContact CG-CG2 3.93Å
396T95.2Very high91.1Very high7 Ų744.7 Ų44.74%0.04321%0.209CC..  trans-79.8158176.864.60000112.2S398 W399 I400 D420 G421 H422 L423T396-S398 VanDerWaalsContact C-N 3.32Å; T396-S398 PolarHBondContact O-N 3.46Å; T396-S398 PolarHBondContact OG1-OG 2.88Å; T396-S398 VanDerWaalsContact OG1-OG 3.06Å; T396-W399 PolarHBondContact O-N 2.85Å; T396-W399 VanDerWaalsContact OG1-CB 3.26Å; T396-W399 WeakPolarHBondContact OG1-CB 3.48Å; T396-W399 PolarHBondContact OG1-N 2.8Å; T396-I400 WeakPolarHBondContact O-CG1 3.34Å; T396-I400 PolarHBondContact O-N 3.31Å; T396-I400 VanDerWaalsContact O-N 3.13Å; T396-D420 WeakPolarHBondContact CB-O 3.37Å; T396-D420 WeakPolarHBondContact CG2-O 3.42Å; T396-D420 PolarHBondContact OG1-O 3.01Å; T396-G421 PolarHBondContact N-O 2.62Å; T396-H422 VanDerWaalsContact CG2-C 3.48Å; T396-L423 HydrophobicContact CG2-CD2 4.17Å
397V92.9Very high89.6Confident14 Ų1446.6 Ų46.69%0.08523%0.229CC..Hα-helixtrans-60-42.2174173.30000111.5R401 K482 Q483 W486 P487V397-R401 HydrophobicContact CG1-CG 4.36Å; V397-R401 WeakPolarHBondContact O-CB 3.02Å; V397-R401 VanDerWaalsContact O-CG 3.31Å; V397-R401 WeakPolarHBondContact O-CG 3.24Å; V397-R401 PolarHBondContact O-N 2.98Å; V397-K482 WeakPolarHBondContact CG2-O 3.49Å; V397-Q483 VanDerWaalsContact CG2-OE1 3.25Å; V397-W486 HydrophobicContact CB-CZ3 4.36Å; V397-W486 HydrophobicContact CG1-CE3 4.41Å; V397-W486 HydrophobicContact CG1-CZ3 3.91Å; V397-W486 HydrophobicContact CG2-CE3 4.17Å; V397-W486 HydrophobicContact CG2-CZ3 4.34Å; V397-P487 HydrophobicContact CB-CG 4.4Å; V397-P487 HydrophobicContact CG2-CG 3.51Å
398S92Very high88Confident59 Ų5951.7 Ų51.741%0.41326%0.262SS..Hα-helixtrans-59-51.5179.437.60000110.8T396 I400 R401 E402T396-S398 VanDerWaalsContact C-N 3.32Å; T396-S398 PolarHBondContact O-N 3.46Å; T396-S398 PolarHBondContact OG1-OG 2.88Å; T396-S398 VanDerWaalsContact OG1-OG 3.06Å; S398-I400 PolarHBondContact O-N 2.95Å; S398-R401 PolarHBondContact O-N 2.81Å; S398-E402 WeakPolarHBondContact O-CG 3.34Å; S398-E402 PolarHBondContact O-N 2.83Å
399W91.4Very high86.2Confident6 Ų657.3 Ų57.32%0.02329%0.294CS..Hα-helixtrans-63.5-40.9-178.1-177.792.1000112.8P395 T396 E402 N403 P413 F415 L496P395-W399 HydrophobicContact CB-CE3 3.92Å; P395-W399 HydrophobicContact CB-CZ3 4.16Å; T396-W399 PolarHBondContact O-N 2.85Å; T396-W399 VanDerWaalsContact OG1-CB 3.26Å; T396-W399 WeakPolarHBondContact OG1-CB 3.48Å; T396-W399 PolarHBondContact OG1-N 2.8Å; W399-E402 PolarHBondContact O-N 3.25Å; W399-N403 WeakPolarHBondContact CZ2-ND2 3.48Å; W399-N403 PolarHBondContact NE1-ND2 2.62Å; W399-N403 PolarHBondContact O-N 3.09Å; W399-N403 PolarHBondContact O-ND2 2.88Å; W399-P413 WeakPolarHBondContact CZ2-O 3.5Å; W399-F415 HydrophobicContact CD2-CB 3.47Å; W399-F415 VanDerWaalsContact CD2-CB 3.47Å; W399-F415 HydrophobicContact CE3-CB 3.76Å; W399-F415 HydrophobicContact CE3-CG 4.47Å; W399-F415 HydrophobicContact CG-CB 4.06Å; W399-F415 HydrophobicContact CH2-CB 3.81Å; W399-F415 AromaticContact CH2-CD1 3.92Å; W399-F415 HydrophobicContact CH2-CD1 3.92Å; W399-F415 HydrophobicContact CH2-CG 4.27Å; W399-F415 HydrophobicContact CZ2-CB 3.55Å; W399-F415 HydrophobicContact CZ2-CD1 4.3Å; W399-F415 HydrophobicContact CZ2-CG 4.42Å; W399-F415 HydrophobicContact CZ3-CB 3.9Å; W399-F415 HydrophobicContact CZ3-CD1 4.19Å; W399-F415 HydrophobicContact CZ3-CG 4.28Å; W399-L496 HydrophobicContact CH2-CB 3.93Å; W399-L496 HydrophobicContact CH2-CD1 3.8Å; W399-L496 HydrophobicContact CH2-CD2 4.01Å; W399-L496 HydrophobicContact CH2-CG 4.12Å; W399-L496 HydrophobicContact CZ3-CB 4.08Å; W399-L496 HydrophobicContact CZ3-CD1 3.71Å; W399-L496 HydrophobicContact CZ3-CG 4.37Å
400I90.2Very high84.6Confident0 Ų059.3 Ų59.30%031%0.309CS..Hα-helixtrans-62.1-47.4175.6-69.5-70.1000111.3P395 T396 S398 E402 N403 E404 W486 P487 T490 L496P395-I400 HydrophobicContact CB-CD1 4.09Å; P395-I400 HydrophobicContact CB-CG1 4.08Å; P395-I400 HydrophobicContact CG-CD1 4.09Å; P395-I400 HydrophobicContact CG-CG1 4.25Å; T396-I400 WeakPolarHBondContact O-CG1 3.34Å; T396-I400 PolarHBondContact O-N 3.31Å; T396-I400 VanDerWaalsContact O-N 3.13Å; S398-I400 PolarHBondContact O-N 2.95Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 2.8Å; I400-N403 PolarHBondContact O-N 2.95Å; I400-E404 WeakPolarHBondContact O-CB 3.19Å; I400-E404 PolarHBondContact O-N 2.86Å; I400-W486 HydrophobicContact CB-CH2 4.47Å; I400-W486 HydrophobicContact CB-CZ3 4.2Å; I400-W486 HydrophobicContact CG2-CH2 3.71Å; I400-W486 HydrophobicContact CG2-CZ3 3.84Å; I400-P487 WeakPolarHBondContact CD1-O 3.36Å; I400-P487 HydrophobicContact CG1-CB 3.95Å; I400-T490 HydrophobicContact CG2-CG2 3.6Å; I400-L496 HydrophobicContact CD1-CD1 3.99Å
401R89.5Confident83.1Confident145 Ų14558.9 Ų58.955%0.54732%0.323SS..Hα-helixtrans-64.7-33-179.3-74.1178.4177.3-174.6-0.8112.9V397 S398 K405 W486V397-R401 HydrophobicContact CG1-CG 4.36Å; V397-R401 WeakPolarHBondContact O-CB 3.02Å; V397-R401 VanDerWaalsContact O-CG 3.31Å; V397-R401 WeakPolarHBondContact O-CG 3.24Å; V397-R401 PolarHBondContact O-N 2.98Å; S398-R401 PolarHBondContact O-N 2.81Å; R401-K405 WeakPolarHBondContact O-CG 3.49Å; R401-W486 HydrophobicContact CG-CH2 3.89Å; R401-W486 HydrophobicContact CG-CZ3 4.37Å
402E87.1Confident81.8Confident92 Ų9260.6 Ų60.643%0.4333%0.325SS..Hα-helixtrans-68.9-41.1173.8-73.8-179.2-159.500111.9S398 W399 I400 K405 R406S398-E402 WeakPolarHBondContact O-CG 3.34Å; S398-E402 PolarHBondContact O-N 2.83Å; W399-E402 PolarHBondContact O-N 3.25Å; I400-E402 VanDerWaalsContact C-N 3.29Å; I400-E402 PolarHBondContact O-N 2.8Å; E402-K405 PolarHBondContact O-N 3.32Å; E402-R406 WeakPolarHBondContact O-CG 3.31Å; E402-R406 PolarHBondContact O-N 2.88Å; E402-R406 IonicContact OE2-NH2 3.76Å
403N84.9Confident80.6Confident1 Ų162.7 Ų62.71%0.00534%0.339CS..Hα-helixtrans-76.4-22.5179-78.8-81.5000113.6W399 I400 K405 R406 L496W399-N403 WeakPolarHBondContact CZ2-ND2 3.48Å; W399-N403 PolarHBondContact NE1-ND2 2.62Å; W399-N403 PolarHBondContact O-N 3.09Å; W399-N403 PolarHBondContact O-ND2 2.88Å; I400-N403 PolarHBondContact O-N 2.95Å; N403-K405 VanDerWaalsContact C-N 3.32Å; N403-R406 PolarHBondContact O-N 3.15Å; N403-R406 VanDerWaalsContact O-O 3.04Å; N403-L496 HydrophobicContact CB-CD1 4.02Å
404E81.4Confident80Confident115 Ų11564.5 Ų64.554%0.53735%0.35SS..Hα-helixtrans-65.6-37.1170.8-173.5176.7-159.900111.7I400 R406 L494I400-E404 WeakPolarHBondContact O-CB 3.19Å; I400-E404 PolarHBondContact O-N 2.86Å; E404-R406 VanDerWaalsContact C-N 3.29Å; E404-R406 PolarHBondContact O-N 2.82Å; E404-L494 HydrophobicContact CB-CD1 4.48Å
405K81.4Confident79.4Confident184 Ų18464.8 Ų64.880%0.835%0.351SS*.Hα-helixtrans-73-23.3175.4-64.8173.1-175.6178.20112.7R401 E402 N403 G407R401-K405 WeakPolarHBondContact O-CG 3.49Å; E402-K405 PolarHBondContact O-N 3.32Å; N403-K405 VanDerWaalsContact C-N 3.32Å; K405-G407 PolarHBondContact O-N 3.32Å
406R74Confident79Confident93 Ų9367 Ų6735%0.35136%0.363SS..SBendtrans-82111.2178.8-73.4180-161.8-165.810.9108.8E402 N403 E404 S410 P413E402-R406 WeakPolarHBondContact O-CG 3.31Å; E402-R406 PolarHBondContact O-N 2.88Å; E402-R406 IonicContact OE2-NH2 3.76Å; N403-R406 PolarHBondContact O-N 3.15Å; N403-R406 VanDerWaalsContact O-O 3.04Å; E404-R406 VanDerWaalsContact C-N 3.29Å; E404-R406 PolarHBondContact O-N 2.82Å; R406-S410 WeakPolarHBondContact CB-OG 3.33Å; R406-P413 VanDerWaalsContact NH1-CD 3.27Å
407G65.2Low78.5Confident40 Ų4073.1 Ų73.141%0.41240%0.395SS..  trans-53.9155.7177.300000112K405 N409 S410K405-G407 PolarHBondContact O-N 3.32Å; G407-N409 PolarHBondContact O-N 3.02Å; G407-S410 PolarHBondContact O-N 3.33Å; G407-S410 PolarHBondContact O-OG 3Å
408P64.8Low78.1Confident107 Ų10774.4 Ų74.470%0.69540%0.402SS*.THydrogen-bonded Turntrans-57.6-21.7-17320.4-31.5000114.4
409N60.2Low77.7Confident166 Ų16677.2 Ų77.289%0.88842%0.418SS*.THydrogen-bonded Turntrans-92.5-0.8-179-66.8-8.5000114.6G407G407-N409 PolarHBondContact O-N 3.02Å
410S63.7Low77.4Confident49 Ų4982 Ų8234%0.34345%0.445SS..SBendtrans-89.4134.3171.958.80000109.2R406 G407 R412R406-S410 WeakPolarHBondContact CB-OG 3.33Å; G407-S410 PolarHBondContact O-N 3.33Å; G407-S410 PolarHBondContact O-OG 3Å; S410-R412 PolarHBondContact O-N 3.3Å
411G63.8Low77.5Confident74 Ų7482 Ų8276%0.76345%0.445SS*.  trans-53.5107.1178.700000110.4P413G411-P413 WeakPolarHBondContact O-CD 3.37Å
412R65.7Low77.7Confident82 Ų8275.3 Ų75.331%0.30942%0.419SS..  trans-77.4113.3178.7-74.3161.6168-160.83.3107S410 L494 L496S410-R412 PolarHBondContact O-N 3.3Å; R412-L494 PolarHBondContact NH1-O 3.23Å; R412-L496 HydrophobicContact CB-CD2 4.43Å; R412-L496 HydrophobicContact CG-CD2 4.38Å
413P67.6Low78.2Confident48 Ų4871 Ų7131%0.31240%0.399SS..  trans-61.9141.7175.927.4-33.7000108.5W399 R406 G411 F415W399-P413 WeakPolarHBondContact CZ2-O 3.5Å; R406-P413 VanDerWaalsContact NH1-CD 3.27Å; G411-P413 WeakPolarHBondContact O-CD 3.37Å; P413-F415 PolarHBondContact O-N 3.45Å
414D80.6Confident78.7Confident72 Ų7274.3 Ų74.339%0.38541%0.414SS..  trans-69.1125.8175.2179.15000110.2L416 N417 D418D414-L416 PolarHBondContact O-N 3Å; D414-L416 VanDerWaalsContact O-N 3.11Å; D414-L416 WeakPolarHBondContact OD1-CB 3.46Å; D414-L416 WeakPolarHBondContact OD1-CG 3.36Å; D414-L416 PolarHBondContact OD1-N 3.01Å; D414-N417 PolarHBondContact O-N 3.4Å; D414-N417 PolarHBondContact OD2-ND2 3.21Å; D414-D418 PolarHBondContact O-N 2.53Å
415F81.6Confident79.4Confident5 Ų570.6 Ų70.62%0.02240%0.397CS..THydrogen-bonded Turntrans-61.4-18.617970.9-78.1000113.2H393 P395 W399 P413 N417 G421 H422H393-F415 HydrophobicContact CB-CE2 3.83Å; H393-F415 HydrophobicContact CB-CZ 3.52Å; H393-F415 AromaticContact CG-CZ 3.53Å; H393-F415 AromaticContact ND1-CZ 3.67Å; P395-F415 HydrophobicContact CB-CD2 3.94Å; P395-F415 HydrophobicContact CB-CE2 4.36Å; P395-F415 HydrophobicContact CB-CG 4.18Å; W399-F415 HydrophobicContact CD2-CB 3.47Å; W399-F415 VanDerWaalsContact CD2-CB 3.47Å; W399-F415 HydrophobicContact CE3-CB 3.76Å; W399-F415 HydrophobicContact CE3-CG 4.47Å; W399-F415 HydrophobicContact CG-CB 4.06Å; W399-F415 HydrophobicContact CH2-CB 3.81Å; W399-F415 AromaticContact CH2-CD1 3.92Å; W399-F415 HydrophobicContact CH2-CD1 3.92Å; W399-F415 HydrophobicContact CH2-CG 4.27Å; W399-F415 HydrophobicContact CZ2-CB 3.55Å; W399-F415 HydrophobicContact CZ2-CD1 4.3Å; W399-F415 HydrophobicContact CZ2-CG 4.42Å; W399-F415 HydrophobicContact CZ3-CB 3.9Å; W399-F415 HydrophobicContact CZ3-CD1 4.19Å; W399-F415 HydrophobicContact CZ3-CG 4.28Å; P413-F415 PolarHBondContact O-N 3.45Å; F415-N417 VanDerWaalsContact C-N 3.27Å; F415-G421 CarbonylContact O-C 3.5Å; F415-G421 WeakPolarHBondContact O-CA 3.34Å; F415-H422 HydrophobicContact CD2-CB 4.27Å; F415-H422 AromaticContact CD2-CD2 3.84Å; F415-H422 AromaticContact CE2-CD2 3.5Å; F415-H422 VanDerWaalsContact CE2-CD2 3.5Å; F415-H422 WeakPolarHBondContact CE2-CD2 3.44Å
416L85.8Confident80.2Confident49 Ų4961.8 Ų61.826%0.25736%0.359SS..THydrogen-bonded Turntrans-71.1-24.4174.3-60.6175000112.7P374 D414P374-L416 HydrophobicContact CB-CB 4.41Å; P374-L416 HydrophobicContact CB-CD2 3.98Å; D414-L416 PolarHBondContact O-N 3Å; D414-L416 VanDerWaalsContact O-N 3.11Å; D414-L416 WeakPolarHBondContact OD1-CB 3.46Å; D414-L416 WeakPolarHBondContact OD1-CG 3.36Å; D414-L416 PolarHBondContact OD1-N 3.01Å
417N85Confident81.4Confident135 Ų13557.4 Ų57.472%0.72234%0.342SS*.THydrogen-bonded Turntrans-103.5-7.2-180-63.4-57.4000113D414 F415D414-N417 PolarHBondContact O-N 3.4Å; D414-N417 PolarHBondContact OD2-ND2 3.21Å; F415-N417 VanDerWaalsContact C-N 3.27Å
418D84.7Confident82.9Confident41 Ų4155.5 Ų55.522%0.21932%0.323CS..SBendtrans-86.5123.5175.5-170.9-48.2000109.4D414 D420 G421D414-D418 PolarHBondContact O-N 2.53Å; D418-D420 PolarHBondContact O-N 2.92Å; D418-D420 VanDerWaalsContact O-N 3.11Å; D418-D420 PolarHBondContact OD1-N 3.15Å; D418-G421 PolarHBondContact O-N 3.1Å; D418-G421 PolarHBondContact OD1-N 3.32Å
419P82.4Confident84.5Confident118 Ų11850.4 Ų50.477%0.76629%0.29SS*.THydrogen-bonded Turntrans-53.2-32-179.4-27.434.9000114.5
420D86Confident86.3Confident107 Ų10742.5 Ų42.557%0.57225%0.248SC*.THydrogen-bonded Turntrans-107.810.5178.9-68-45.7000111.9T396 D418T396-D420 WeakPolarHBondContact CB-O 3.37Å; T396-D420 WeakPolarHBondContact CG2-O 3.42Å; T396-D420 PolarHBondContact OG1-O 3.01Å; D418-D420 PolarHBondContact O-N 2.92Å; D418-D420 VanDerWaalsContact O-N 3.11Å; D418-D420 PolarHBondContact OD1-N 3.15Å
421G91.3Very high87.8Confident0 Ų041.2 Ų41.20%024%0.236CC..THydrogen-bonded Turntrans-76.6-30.5-175.800000114.5P395 T396 F415 D418P395-G421 CarbonylContact C-O 3.57Å; P395-G421 WeakPolarHBondContact CA-O 3.3Å; T396-G421 PolarHBondContact N-O 2.62Å; F415-G421 CarbonylContact O-C 3.5Å; F415-G421 WeakPolarHBondContact O-CA 3.34Å; D418-G421 PolarHBondContact O-N 3.1Å; D418-G421 PolarHBondContact OD1-N 3.32Å
422H94.9Very high89.3Confident4 Ų437.7 Ų37.72%0.01920%0.2CC..BIsolated β-bridgetrans-122145-175.7-162.8-72.8000111.7P374 F394 T396 F415P374-H422 HydrophobicContact CG-CB 3.74Å; F394-H422 PolarHBondContact N-NE2 3.15Å; F394-H422 CarbonylContact O-C 3.41Å; F394-H422 WeakPolarHBondContact O-CA 3.31Å; T396-H422 VanDerWaalsContact CG2-C 3.48Å; F415-H422 HydrophobicContact CD2-CB 4.27Å; F415-H422 AromaticContact CD2-CD2 3.84Å; F415-H422 AromaticContact CE2-CD2 3.5Å; F415-H422 VanDerWaalsContact CE2-CD2 3.5Å; F415-H422 WeakPolarHBondContact CE2-CD2 3.44Å
423L96.4Very high90.6Very high1 Ų133.8 Ų33.81%0.00519%0.185CC..  trans-57.1143.9170.1-67-177.1000110.5I371 F394 T396 T426 L463 V484I371-L423 HydrophobicContact CD1-CD1 4.38Å; I371-L423 HydrophobicContact CG2-CB 4.07Å; I371-L423 VanDerWaalsContact CG2-O 3.29Å; I371-L423 WeakPolarHBondContact CG2-O 3.36Å; F394-L423 HydrophobicContact CB-CB 4.06Å; F394-L423 HydrophobicContact CB-CD1 3.98Å; F394-L423 HydrophobicContact CB-CG 4.08Å; F394-L423 HydrophobicContact CD1-CD1 4.5Å; F394-L423 PolarHBondContact O-N 3.31Å; T396-L423 HydrophobicContact CG2-CD2 4.17Å; L423-T426 HydrophobicContact CD1-CG2 4.47Å; L423-L463 HydrophobicContact CD1-CD1 4.24Å; L423-L463 HydrophobicContact CD2-CD1 3.93Å; L423-V484 HydrophobicContact CD1-CG2 4.12Å
424F95.6Very high91.7Very high71 Ų7132.6 Ų32.631%0.31118%0.176SC..  trans-134.7160.7176.266.4-87.7000109.4I371 M372 T426 N464I371-F424 CarbonylContact O-C 3.5Å; I371-F424 VanDerWaalsContact O-C 3.27Å; M372-F424 WeakPolarHBondContact O-CB 3.44Å; F424-T426 PolarHBondContact O-N 3.22Å; F424-T426 PolarHBondContact O-OG1 2.97Å; F424-N464 HydrophobicContact CD1-CB 4.35Å; F424-N464 HydrophobicContact CE1-CB 3.88Å; F424-N464 HydrophobicContact CE2-CB 4.29Å; F424-N464 HydrophobicContact CZ-CB 3.84Å; F424-N464 PolarHBondContact N-OD1 2.92Å; F424-N464 WeakPolarHBondContact O-CA 3.36Å; F424-N464 PolarHBondContact O-N 3.26Å; F424-N464 PolarHBondContact O-OD1 3.3Å
425N96.9Very high92Very high36 Ų3629.5 Ų29.519%0.19316%0.16CC..SBendtrans33.449.8-178.8-62.8-4.5000114.5L287 I371 N465L287-N425 HydrophobicContact CD1-CB 4.25Å; L287-N425 HydrophobicContact CD2-CB 4.13Å; I371-N425 WeakPolarHBondContact O-CA 3.39Å; I371-N425 PolarHBondContact O-N 2.83Å; N425-N465 WeakPolarHBondContact CB-OD1 3.49Å; N425-N465 PolarHBondContact ND2-ND2 2.73Å; N425-N465 PolarHBondContact ND2-OD1 2.95Å; N425-N465 PolarHBondContact O-N 2.69Å
426T98.2Very high92.2Very high0 Ų033.1 Ų33.10%018%0.177CC..EExtended strand (participates in β ladder)trans-113.2132.5-177.5-65.30000108.3I371 L423 F424 L428 I460 T462 L463 N464I371-T426 HydrophobicContact CD1-CG2 4.21Å; I371-T426 PolarHBondContact N-O 2.89Å; I371-T426 PolarHBondContact O-N 3.05Å; L423-T426 HydrophobicContact CD1-CG2 4.47Å; F424-T426 PolarHBondContact O-N 3.22Å; F424-T426 PolarHBondContact O-OG1 2.97Å; T426-L428 HydrophobicContact CG2-CD2 4.19Å; T426-L428 HydrophobicContact CG2-CG 4.23Å; T426-I460 HydrophobicContact CG2-CD1 4.36Å; T426-T462 CarbonylContact C-O 3.47Å; T426-T462 VanDerWaalsContact CA-O 3.29Å; T426-T462 WeakPolarHBondContact CA-O 3.29Å; T426-T462 WeakPolarHBondContact CG2-O 3.31Å; T426-L463 HydrophobicContact CG2-CD1 3.82Å; T426-N464 PolarHBondContact OG1-N 2.95Å; T426-N464 PolarHBondContact OG1-OD1 3Å
427L98.3Very high91.5Very high0 Ų034.4 Ų34.40%018%0.184CC..EExtended strand (participates in β ladder)trans-124.4115.5-176.5-170.368000110.1L287 C288 L368 L370 I461 T462L287-L427 HydrophobicContact CB-CB 4.19Å; L287-L427 HydrophobicContact CB-CD2 4.06Å; L287-L427 HydrophobicContact CD1-CB 4.22Å; C288-L427 WeakPolarHBondContact SG-CD2 3.44Å; L368-L427 HydrophobicContact CB-CD1 4.14Å; L370-L427 HydrophobicContact CB-CD1 4.07Å; L370-L427 HydrophobicContact CD1-CD1 4.24Å; L427-I461 HydrophobicContact CB-CB 4.42Å; L427-I461 HydrophobicContact CD2-CB 4.28Å; L427-I461 HydrophobicContact CD2-CD1 3.69Å; L427-I461 HydrophobicContact CG-CD1 4.08Å; L427-I461 PolarHBondContact O-N 2.92Å; L427-T462 PolarHBondContact N-O 3.26Å; L427-T462 PolarHBondContact O-N 3.44Å
428L98.3Very high90.5Very high0 Ų034.6 Ų34.60%018%0.18CC..EExtended strand (participates in β ladder)trans-110.9146.8-177.1-56.1168.7000110L368 M369 I371 T426 I457 I460 V484L368-L428 CarbonylContact C-O 3.33Å; L368-L428 WeakPolarHBondContact CA-O 3.1Å; M369-L428 HydrophobicContact CB-CB 4.26Å; M369-L428 PolarHBondContact N-O 3.13Å; M369-L428 PolarHBondContact O-N 3.02Å; M369-L428 HydrophobicContact SD-CD1 4.12Å; I371-L428 HydrophobicContact CD1-CD1 3.83Å; T426-L428 HydrophobicContact CG2-CD2 4.19Å; T426-L428 HydrophobicContact CG2-CG 4.23Å; L428-I457 HydrophobicContact CB-CG2 4.25Å; L428-I457 HydrophobicContact CD1-CD1 3.85Å; L428-I457 HydrophobicContact CD1-CG1 4.44Å; L428-I457 HydrophobicContact CD2-CG2 4.29Å; L428-I460 HydrophobicContact CD2-CB 3.93Å; L428-I460 HydrophobicContact CD2-CD1 3.61Å; L428-I460 HydrophobicContact CD2-CG1 3.69Å; L428-V484 HydrophobicContact CD1-CG1 4.1Å; L428-V484 HydrophobicContact CD2-CG2 4.15Å
429D97.9Very high89.3Confident1 Ų137.4 Ų37.41%0.00520%0.203CC..EExtended strand (participates in β ladder)trans-111129.8173.6-161.95.4000109.8R366 L368 Y458 D459 Y547R366-D429 IonicContact CZ-OD1 3.23Å; R366-D429 IonicContact CZ-OD2 2.85Å; R366-D429 IonicContact NE-OD1 3.87Å; R366-D429 PolarHBondContact NE-OD1 3.44Å; R366-D429 IonicContact NE-OD2 3.23Å; R366-D429 IonicContact NH2-OD1 2.67Å; R366-D429 PolarHBondContact NH2-OD1 3.37Å; R366-D429 IonicContact NH2-OD2 3.03Å; R366-D429 PolarHBondContact NH2-OD2 3.32Å; L368-D429 HydrophobicContact CD2-CB 3.88Å; D429-Y458 HydrophobicContact CB-CD2 4.44Å; D429-Y458 HydrophobicContact CB-CE2 3.89Å; D429-Y458 PolarHBondContact O-N 3.29Å; D429-Y458 PolarHBondContact OD1-OH 3.5Å; D429-Y458 WeakPolarHBondContact OD2-CE2 3.34Å; D429-D459 HydrophobicContact CB-CB 4.27Å; D429-D459 PolarHBondContact N-O 3.29Å; D429-D459 PolarHBondContact O-N 3.07Å; D429-Y547 HydrophobicContact CB-CE2 4.29Å; D429-Y547 PolarHBondContact OD2-OH 3.16Å
430G97.1Very high87.9Confident0 Ų038.5 Ų38.50%020%0.195CC..EExtended strand (participates in β ladder)trans-163.4-178.2-170.300000114.3Y367 F455 L456 Y458Y367-G430 PolarHBondContact N-O 3.22Å; Y367-G430 VanDerWaalsContact N-O 3.11Å; Y367-G430 PolarHBondContact O-N 2.9Å; Y367-G430 VanDerWaalsContact O-O 3.08Å; G430-F455 VanDerWaalsContact CA-CZ 3.45Å; G430-L456 CarbonylContact C-O 3.51Å; G430-L456 WeakPolarHBondContact CA-O 3.45Å; G430-Y458 PolarHBondContact O-OH 3.08Å
431E95.7Very high86.1Confident22 Ų2238.2 Ų38.210%0.10320%0.2CC..EExtended strand (participates in β ladder)trans-138.9130.3-178-176.7165.4-151.500109.5A362 G364 T365 V433 L456 Y458 K509A362-E431 VanDerWaalsContact O-OE1 3.11Å; G364-E431 WeakPolarHBondContact CA-OE1 3.46Å; G364-E431 PolarHBondContact N-OE1 3.08Å; T365-E431 WeakPolarHBondContact O-CA 3.3Å; E431-V433 HydrophobicContact CG-CG1 4.26Å; E431-L456 PolarHBondContact N-O 3.47Å; E431-L456 PolarHBondContact O-N 2.94Å; E431-Y458 HydrophobicContact CB-CE1 4.05Å; E431-K509 IonicContact OE2-NZ 3.53Å
432L95.4Very high84.2Confident0 Ų043.3 Ų43.30%023%0.233CC..EExtended strand (participates in β ladder)trans-88.6125.4175.1-166.565.1000108.7F260 M261 V264 G364 T365 Y367 F455 F504F260-L432 HydrophobicContact CE1-CD2 4.43Å; F260-L432 HydrophobicContact CE2-CD2 4.14Å; F260-L432 HydrophobicContact CZ-CD2 3.62Å; M261-L432 HydrophobicContact CB-CD2 4.27Å; M261-L432 HydrophobicContact SD-CB 4Å; M261-L432 HydrophobicContact SD-CD2 4.09Å; M261-L432 HydrophobicContact SD-CG 3.89Å; V264-L432 HydrophobicContact CB-CD2 4.49Å; V264-L432 HydrophobicContact CG1-CD2 4.24Å; V264-L432 HydrophobicContact CG2-CD2 3.92Å; V264-L432 HydrophobicContact CG2-CG 4.49Å; G364-L432 CarbonylContact C-O 3.57Å; G364-L432 WeakPolarHBondContact CA-O 3.28Å; T365-L432 PolarHBondContact N-O 3.36Å; T365-L432 PolarHBondContact O-N 2.98Å; Y367-L432 HydrophobicContact CD2-CB 3.98Å; Y367-L432 HydrophobicContact CE2-CB 3.84Å; Y367-L432 HydrophobicContact CE2-CD2 4.06Å; L432-F455 HydrophobicContact CB-CD2 4.14Å; L432-F455 HydrophobicContact CD1-CB 3.99Å; L432-F455 HydrophobicContact CD1-CD2 4.16Å; L432-F504 HydrophobicContact CD1-CD1 4.31Å; L432-F504 HydrophobicContact CD1-CD2 4.11Å; L432-F504 HydrophobicContact CD1-CE2 4.4Å; L432-F504 HydrophobicContact CD1-CG 4.08Å
433V93.7Very high81.9Confident0 Ų048.3 Ų48.30%026%0.259CS..EExtended strand (participates in β ladder)trans-124.4155179.6-59.60000110.5A362 E431 P453 R454 L456 H531A362-V433 HydrophobicContact CB-CG1 3.83Å; E431-V433 HydrophobicContact CG-CG1 4.26Å; V433-P453 WeakPolarHBondContact O-CA 3.29Å; V433-R454 HydrophobicContact CG2-CB 4.1Å; V433-R454 WeakPolarHBondContact CG2-O 3.36Å; V433-R454 PolarHBondContact N-O 3.32Å; V433-R454 PolarHBondContact O-N 2.75Å; V433-L456 HydrophobicContact CG1-CD1 4.06Å; V433-L456 HydrophobicContact CG2-CD1 3.86Å; V433-L456 HydrophobicContact CG2-CG 4.04Å; V433-H531 HydrophobicContact CB-CB 4.25Å; V433-H531 HydrophobicContact CG2-CB 4.34Å
434L91Very high79.7Confident23 Ų2356.1 Ų56.112%0.1230%0.3CS..EExtended strand (participates in β ladder)trans-98.4113.9169.6-72.2171.5000109.4M261 V264 H436 V449 P453M261-L434 HydrophobicContact CE-CB 4.4Å; M261-L434 HydrophobicContact CE-CD1 4.05Å; M261-L434 HydrophobicContact CE-CG 3.74Å; V264-L434 HydrophobicContact CG2-CD2 4.14Å; L434-H436 PolarHBondContact O-CE1 3.42Å; L434-H436 VanDerWaalsContact O-CE1 3.27Å; L434-H436 PolarHBondContact O-ND1 3.26Å; L434-V449 HydrophobicContact CD1-CG1 3.76Å; L434-P453 HydrophobicContact CD2-CB 4.25Å
435C86.5Confident76.9Confident6 Ų657.2 Ų57.24%0.04132%0.316CS..EExtended strand (participates in β ladder)trans-88.5121.2179.3-65.10000110.6G451 T452 R454 D530C435-G451 CarbonylContact O-C 3.56Å; C435-G451 WeakPolarHBondContact O-CA 3.46Å; C435-T452 WeakPolarHBondContact CB-O 3.4Å; C435-T452 PolarHBondContact N-O 3.03Å; C435-T452 PolarHBondContact O-N 2.84Å; C435-R454 PolarHBondContact SG-NH1 3.36Å; C435-R454 VanDerWaalsContact SG-NH1 3.39Å; C435-D530 CarbonylContact C-O 3.53Å; C435-D530 WeakPolarHBondContact CA-O 3.44Å; C435-D530 HydrophobicContact CB-CB 4.22Å; C435-D530 WeakPolarHBondContact CB-OD2 3.46Å; C435-D530 VanDerWaalsContact SG-CG 3.53Å; C435-D530 PolarHBondContact SG-OD1 3.13Å; C435-D530 PolarHBondContact SG-OD2 2.91Å
436H85Confident74.2Confident81 Ų8159.4 Ų59.438%0.37533%0.331SS..  trans-97.7133.2-179.6-56.968.5000109.3L434 H438 S450 D530L434-H436 PolarHBondContact O-CE1 3.42Å; L434-H436 VanDerWaalsContact O-CE1 3.27Å; L434-H436 PolarHBondContact O-ND1 3.26Å; H436-H438 PolarHBondContact O-N 3.27Å; H436-S450 PolarHBondContact CD2-O 3.43Å; H436-S450 PolarHBondContact NE2-O 2.67Å; H436-S450 VanDerWaalsContact NE2-O 3.15Å; H436-D530 PolarHBondContact N-O 2.74Å
437D71.3Confident71.4Confident77 Ų7765.8 Ų65.841%0.41238%0.376SS..  trans-87.8104.5175-175.7-5.2000109.2S439 K440D437-S439 PolarHBondContact O-N 3.09Å; D437-S439 WeakPolarHBondContact OD1-CB 3.39Å; D437-S439 PolarHBondContact OD1-N 3.39Å; D437-S439 PolarHBondContact OD1-OG 3.44Å; D437-S439 PolarHBondContact OD2-OG 3.45Å; D437-K440 HydrophobicContact CB-CD 4.18Å; D437-K440 HydrophobicContact CB-CG 4.27Å; D437-K440 PolarHBondContact O-N 3.49Å; D437-K440 VanDerWaalsContact OD2-CE 3.28Å; D437-K440 WeakPolarHBondContact OD2-CE 3.23Å; D437-K440 IonicContact OD2-NZ 3.58Å
438H64.1Low68.9Low139 Ų13973.1 Ų73.164%0.64441%0.41SS*.THydrogen-bonded Turntrans-60.4-14.2178.8-61.8-60.8000113.4H436 L529H436-H438 PolarHBondContact O-N 3.27Å; H438-L529 PolarHBondContact NE2-O 3.21Å
439S58.8Low66.8Low99 Ų9976.5 Ų76.569%0.69243%0.43SS*.THydrogen-bonded Turntrans-84.7-12.4177750000114.2D437D437-S439 PolarHBondContact O-N 3.09Å; D437-S439 WeakPolarHBondContact OD1-CB 3.39Å; D437-S439 PolarHBondContact OD1-N 3.39Å; D437-S439 PolarHBondContact OD1-OG 3.44Å; D437-S439 PolarHBondContact OD2-OG 3.45Å
440K54Low65.1Low141 Ų14179.7 Ų79.761%0.61345%0.453SS*.SBendtrans-97.5131.5178.2-67.8179.2-175.4172.90110.2D437D437-K440 HydrophobicContact CB-CD 4.18Å; D437-K440 HydrophobicContact CB-CG 4.27Å; D437-K440 PolarHBondContact O-N 3.49Å; D437-K440 VanDerWaalsContact OD2-CE 3.28Å; D437-K440 WeakPolarHBondContact OD2-CE 3.23Å; D437-K440 IonicContact OD2-NZ 3.58Å
441P48.6Very low64.1Low102 Ų10280.9 Ų80.966%0.66247%0.465SS*.PPolyproline II helixtrans-59.8145.9174.225.6-32.3000109.7N443P441-N443 PolarHBondContact O-N 3.23Å
442P50.8Low63.7Low106 Ų10684 Ų8469%0.68849%0.486SS*.PPolyproline II helixtrans-57.2117.6173.222.8-30.6000108I444P442-I444 PolarHBondContact O-N 2.86Å
443N46.5Very low63.6Low109 Ų10985 Ų8558%0.58349%0.492SS*.  trans-64.3102.5178.7-99.5-14.3000108.6P441 S445P441-N443 PolarHBondContact O-N 3.23Å; N443-S445 PolarHBondContact O-N 2.91Å
444I50.1Low63.5Low166 Ų16687.7 Ų87.785%0.85150%0.502SS*.THydrogen-bonded Turntrans-72.8-3.5177.2-67.5159.8000111.2P442P442-I444 PolarHBondContact O-N 2.86Å
445S37.7Very low63.7Low94 Ų9486.6 Ų86.666%0.65750%0.496SS*.THydrogen-bonded Turntrans-140.850.6-167.868.60000114.8N443N443-S445 PolarHBondContact O-N 2.91Å
446T40Very low64.2Low81 Ų8186.6 Ų86.650%0.49750%0.496SS..  trans-173.7133155.936.10000107.9E448T446-E448 PolarHBondContact O-N 3.03Å
447S38.4Very low64.8Low135 Ų13582.8 Ų82.894%0.94448%0.478SS*.  trans-65.926.3175.239.40000114.6
448E46.5Very low66Low153 Ų15380.9 Ų80.972%0.71547%0.465SS*.SBendtrans-86.2118.3172.4-70.8-173.7165.300108.5T446 S450T446-E448 PolarHBondContact O-N 3.03Å; E448-S450 PolarHBondContact O-N 2.8Å
449V53.6Low67.6Low71 Ų7174.5 Ų74.543%0.4344%0.436SS..  trans-54.2111.5175.6-179.10000108.6L434 G451L434-V449 HydrophobicContact CD1-CG1 3.76Å; V449-G451 PolarHBondContact O-N 2.82Å
450S62.3Low69.4Low69 Ų6969.8 Ų69.848%0.48340%0.403SS..  trans-73.694.3-174.8-178.10000110.2H436 E448H436-S450 PolarHBondContact CD2-O 3.43Å; H436-S450 PolarHBondContact NE2-O 2.67Å; H436-S450 VanDerWaalsContact NE2-O 3.15Å; E448-S450 PolarHBondContact O-N 2.8Å
451G76Confident71.5Confident24 Ų2463.1 Ų63.125%0.24737%0.374CS..  trans179.6143.1173.900000113.1C435 V449C435-G451 CarbonylContact O-C 3.56Å; C435-G451 WeakPolarHBondContact O-CA 3.46Å; V449-G451 PolarHBondContact O-N 2.82Å
452T87.3Confident73.9Confident89 Ų8958.2 Ų58.255%0.54634%0.343SS..EExtended strand (participates in β ladder)trans-89.9118.9172.9-56.80000109.4C435C435-T452 WeakPolarHBondContact CB-O 3.4Å; C435-T452 PolarHBondContact N-O 3.03Å; C435-T452 PolarHBondContact O-N 2.84Å
453P92.6Very high76.1Confident19 Ų1953.8 Ų53.812%0.12331%0.313CS..EExtended strand (participates in β ladder)trans-67.1137-178.826.2-34000112.2V264 V433 L434 F504 S505V264-P453 HydrophobicContact CB-CB 4.43Å; V264-P453 HydrophobicContact CG1-CB 3.91Å; V264-P453 HydrophobicContact CG1-CG 4.17Å; V264-P453 HydrophobicContact CG2-CB 3.89Å; V433-P453 WeakPolarHBondContact O-CA 3.29Å; L434-P453 HydrophobicContact CD2-CB 4.25Å; P453-F504 HydrophobicContact CB-CB 3.76Å; P453-F504 HydrophobicContact CG-CB 3.79Å; P453-F504 WeakPolarHBondContact O-CB 3.35Å; P453-S505 PolarHBondContact O-N 3.02Å; P453-S505 VanDerWaalsContact O-N 3.1Å; P453-S505 PolarHBondContact O-OG 2.94Å; P453-S505 VanDerWaalsContact O-OG 3.08Å
454R92.5Very high78.5Confident58 Ų5850.6 Ų50.622%0.21930%0.296CS..EExtended strand (participates in β ladder)trans-141125.3179.5-175.6178.6-63153.710.8111.3V433 C435 L456 S505 R507 D530V433-R454 HydrophobicContact CG2-CB 4.1Å; V433-R454 WeakPolarHBondContact CG2-O 3.36Å; V433-R454 PolarHBondContact N-O 3.32Å; V433-R454 PolarHBondContact O-N 2.75Å; C435-R454 PolarHBondContact SG-NH1 3.36Å; C435-R454 VanDerWaalsContact SG-NH1 3.39Å; R454-L456 HydrophobicContact CG-CD2 3.9Å; R454-S505 CarbonylContact C-O 2.98Å; R454-S505 VanDerWaalsContact CA-O 3.29Å; R454-S505 WeakPolarHBondContact CA-O 3.45Å; R454-S505 WeakPolarHBondContact CA-OG 3.43Å; R454-S505 WeakPolarHBondContact CB-OG 3.48Å; R454-S505 VanDerWaalsContact CG-OG 3.25Å; R454-S505 WeakPolarHBondContact CG-OG 2.94Å; R454-R507 HydrophobicContact CG-CB 4.42Å; R454-R507 HydrophobicContact CG-CG 4.12Å; R454-D530 IonicContact CZ-OD2 3.72Å; R454-D530 VanDerWaalsContact CZ-OD2 3.26Å; R454-D530 IonicContact NH1-OD1 2.7Å; R454-D530 PolarHBondContact NH1-OD1 2.82Å; R454-D530 IonicContact NH1-OD2 2.92Å; R454-D530 PolarHBondContact NH1-OD2 2.89Å; R454-D530 IonicContact NH2-OD2 3.34Å; R454-D530 PolarHBondContact NH2-OD2 3.35Å
455F96.1Very high80.6Confident0 Ų046 Ų460%027%0.273CS..EExtended strand (participates in β ladder)trans-89.4116.2171.9-166.4-99.3000110.2Y367 M369 L379 G430 L432 I457 F504 S505 V506 R507Y367-F455 HydrophobicContact CD2-CE2 4.43Å; M369-F455 HydrophobicContact CB-CE1 4.04Å; M369-F455 HydrophobicContact CB-CZ 4.02Å; M369-F455 HydrophobicContact CE-CB 4.27Å; M369-F455 HydrophobicContact CE-CD1 3.44Å; M369-F455 VanDerWaalsContact CE-CD1 3.44Å; M369-F455 HydrophobicContact CE-CD2 4.21Å; M369-F455 HydrophobicContact CE-CE1 3.71Å; M369-F455 HydrophobicContact CE-CE2 4.45Å; M369-F455 HydrophobicContact CE-CG 3.7Å; M369-F455 HydrophobicContact CE-CZ 4.21Å; M369-F455 HydrophobicContact SD-CD1 4.49Å; M369-F455 HydrophobicContact SD-CE1 4.43Å; L379-F455 HydrophobicContact CD2-CD2 4.44Å; L379-F455 HydrophobicContact CD2-CE2 4.12Å; G430-F455 VanDerWaalsContact CA-CZ 3.45Å; L432-F455 HydrophobicContact CB-CD2 4.14Å; L432-F455 HydrophobicContact CD1-CB 3.99Å; L432-F455 HydrophobicContact CD1-CD2 4.16Å; F455-I457 HydrophobicContact CD1-CG1 3.79Å; F455-I457 HydrophobicContact CE1-CG1 3.88Å; F455-F504 HydrophobicContact CB-CD2 3.85Å; F455-F504 HydrophobicContact CB-CE2 3.62Å; F455-F504 HydrophobicContact CG-CE2 4.29Å; F455-S505 PolarHBondContact N-O 3.37Å; F455-V506 HydrophobicContact CB-CG1 4.34Å; F455-V506 HydrophobicContact CB-CG2 4.36Å; F455-V506 HydrophobicContact CD1-CG1 4.17Å; F455-V506 WeakPolarHBondContact O-CA 3.31Å; F455-R507 PolarHBondContact O-N 2.91Å
456L95.5Very high83.4Confident6 Ų647.9 Ų47.93%0.03127%0.269CS..EExtended strand (participates in β ladder)trans-96.1102.6178.4-60.4-179.4000109.6Y360 G430 E431 V433 R454 R507 K509Y360-L456 HydrophobicContact CE2-CD1 4.39Å; G430-L456 CarbonylContact C-O 3.51Å; G430-L456 WeakPolarHBondContact CA-O 3.45Å; E431-L456 PolarHBondContact N-O 3.47Å; E431-L456 PolarHBondContact O-N 2.94Å; V433-L456 HydrophobicContact CG1-CD1 4.06Å; V433-L456 HydrophobicContact CG2-CD1 3.86Å; V433-L456 HydrophobicContact CG2-CG 4.04Å; R454-L456 HydrophobicContact CG-CD2 3.9Å; L456-R507 CarbonylContact C-O 3.48Å; L456-R507 WeakPolarHBondContact CA-O 3.11Å; L456-R507 HydrophobicContact CD2-CB 4.09Å; L456-K509 HydrophobicContact CB-CB 4.27Å
457I97.2Very high86.1Confident0 Ų046.5 Ų46.50%026%0.262CS..EExtended strand (participates in β ladder)trans-76.3124.8175.4-54165.1000108.7L428 F455 I480 V484 I485 V506 R507 R508 K509L428-I457 HydrophobicContact CB-CG2 4.25Å; L428-I457 HydrophobicContact CD1-CD1 3.85Å; L428-I457 HydrophobicContact CD1-CG1 4.44Å; L428-I457 HydrophobicContact CD2-CG2 4.29Å; F455-I457 HydrophobicContact CD1-CG1 3.79Å; F455-I457 HydrophobicContact CE1-CG1 3.88Å; I457-I480 HydrophobicContact CB-CG2 4.16Å; I457-I480 HydrophobicContact CD1-CG2 4.27Å; I457-I480 HydrophobicContact CG2-CD1 3.77Å; I457-I480 HydrophobicContact CG2-CG1 4.05Å; I457-I480 HydrophobicContact CG2-CG2 3.84Å; I457-V484 HydrophobicContact CD1-CG1 3.94Å; I457-I485 HydrophobicContact CD1-CD1 4.19Å; I457-V506 HydrophobicContact CD1-CG1 3.46Å; I457-V506 VanDerWaalsContact CD1-CG1 3.46Å; I457-V506 HydrophobicContact CG1-CG1 3.81Å; I457-R507 PolarHBondContact N-O 3.41Å; I457-R508 CarbonylContact O-C 3.56Å; I457-R508 WeakPolarHBondContact O-CA 3.43Å; I457-K509 PolarHBondContact O-N 2.85Å
458Y96.8Very high88.9Confident37 Ų3741.1 Ų41.115%0.14522%0.222CC..EExtended strand (participates in β ladder)trans-116.9-16.7176.252.1-105.8000114.1R366 D429 G430 E431 K509R366-Y458 WeakPolarHBondContact CD-OH 3.4Å; R366-Y458 WeakPolarHBondContact CG-OH 3.4Å; R366-Y458 PolarHBondContact NE-OH 3.5Å; D429-Y458 HydrophobicContact CB-CD2 4.44Å; D429-Y458 HydrophobicContact CB-CE2 3.89Å; D429-Y458 PolarHBondContact O-N 3.29Å; D429-Y458 PolarHBondContact OD1-OH 3.5Å; D429-Y458 WeakPolarHBondContact OD2-CE2 3.34Å; G430-Y458 PolarHBondContact O-OH 3.08Å; E431-Y458 HydrophobicContact CB-CE1 4.05Å; Y458-K509 HydrophobicContact CD1-CD 4.3Å
459D97.8Very high91.2Very high6 Ų633.9 Ų33.93%0.03219%0.188CC..EExtended strand (participates in β ladder)trans-151.4167.4172.8-144.4-34000111.9D429 R476 Y547D429-D459 HydrophobicContact CB-CB 4.27Å; D429-D459 PolarHBondContact N-O 3.29Å; D429-D459 PolarHBondContact O-N 3.07Å; D459-R476 IonicContact OD1-CZ 2.82Å; D459-R476 IonicContact OD1-NE 2.74Å; D459-R476 PolarHBondContact OD1-NE 2.93Å; D459-R476 IonicContact OD1-NH2 3.33Å; D459-R476 IonicContact OD2-CZ 3.44Å; D459-R476 IonicContact OD2-NE 3.22Å; D459-R476 PolarHBondContact OD2-NE 2.86Å; D459-R476 IonicContact OD2-NH2 2.95Å; D459-R476 PolarHBondContact OD2-NH2 3.09Å; D459-Y547 HydrophobicContact CB-CD2 4.06Å; D459-Y547 HydrophobicContact CB-CE2 3.86Å; D459-Y547 WeakPolarHBondContact OD2-CD2 3.25Å
460I97.9Very high93.2Very high0 Ų034.9 Ų34.90%018%0.184CC..EExtended strand (participates in β ladder)trans-136.8131.1179-178.5166.3000109.8T426 L428 L463 I468 R476 T479 I480T426-I460 HydrophobicContact CG2-CD1 4.36Å; L428-I460 HydrophobicContact CD2-CB 3.93Å; L428-I460 HydrophobicContact CD2-CD1 3.61Å; L428-I460 HydrophobicContact CD2-CG1 3.69Å; I460-L463 HydrophobicContact CD1-CB 3.93Å; I460-L463 HydrophobicContact CD1-CD1 4.16Å; I460-I468 HydrophobicContact CG2-CG2 3.79Å; I460-R476 HydrophobicContact CG2-CB 3.8Å; I460-R476 WeakPolarHBondContact CG2-O 3.5Å; I460-T479 HydrophobicContact CD1-CG2 4.37Å; I460-I480 HydrophobicContact CB-CD1 4.24Å; I460-I480 HydrophobicContact CB-CG1 3.84Å; I460-I480 HydrophobicContact CG2-CD1 4.11Å; I460-I480 HydrophobicContact CG2-CG1 3.73Å
461I97.7Very high94.8Very high0 Ų032.9 Ų32.90%017%0.17CC..EExtended strand (participates in β ladder)trans-97.7-46.5-176.7-54.6167.5000110.1G291 L368 L427 I468 G469 Y547G291-I461 WeakPolarHBondContact CA-O 3.49Å; L368-I461 HydrophobicContact CD2-CD1 4.09Å; L427-I461 HydrophobicContact CB-CB 4.42Å; L427-I461 HydrophobicContact CD2-CB 4.28Å; L427-I461 HydrophobicContact CD2-CD1 3.69Å; L427-I461 HydrophobicContact CG-CD1 4.08Å; L427-I461 PolarHBondContact O-N 2.92Å; I461-I468 PolarHBondContact O-N 3.19Å; I461-G469 PolarHBondContact O-N 2.98Å; I461-Y547 HydrophobicContact CD1-CD1 4.31Å; I461-Y547 HydrophobicContact CD1-CE1 3.65Å; I461-Y547 HydrophobicContact CD1-CE2 4.35Å; I461-Y547 HydrophobicContact CG1-CD1 3.89Å; I461-Y547 HydrophobicContact CG1-CD2 4.09Å; I461-Y547 HydrophobicContact CG1-CE1 3.67Å; I461-Y547 HydrophobicContact CG1-CE2 3.88Å; I461-Y547 HydrophobicContact CG1-CG 4.1Å
462T97.8Very high95.7Very high0 Ų033 Ų330%017%0.169CC..EExtended strand (participates in β ladder)trans-143.1142.5-177-61.80000109.8L287 M290 T426 L427 K466L287-T462 HydrophobicContact CB-CG2 4.5Å; L287-T462 HydrophobicContact CD2-CG2 3.74Å; L287-T462 PolarHBondContact O-OG1 2.83Å; M290-T462 HydrophobicContact SD-CG2 4Å; T426-T462 CarbonylContact C-O 3.47Å; T426-T462 VanDerWaalsContact CA-O 3.29Å; T426-T462 WeakPolarHBondContact CA-O 3.29Å; T426-T462 WeakPolarHBondContact CG2-O 3.31Å; L427-T462 PolarHBondContact N-O 3.26Å; L427-T462 PolarHBondContact O-N 3.44Å; T462-K466 VanDerWaalsContact CA-O 3.3Å; T462-K466 WeakPolarHBondContact CA-O 3.21Å; T462-K466 WeakPolarHBondContact CG2-O 3.33Å
463L97.6Very high96.2Very high13 Ų1328.7 Ų28.77%0.06814%0.143CC..BIsolated β-bridgetrans-131.3117177.2178.371.7000109.6L423 T426 I460 N465 K466 I468 T479 Q483L423-L463 HydrophobicContact CD1-CD1 4.24Å; L423-L463 HydrophobicContact CD2-CD1 3.93Å; T426-L463 HydrophobicContact CG2-CD1 3.82Å; I460-L463 HydrophobicContact CD1-CB 3.93Å; I460-L463 HydrophobicContact CD1-CD1 4.16Å; L463-N465 VanDerWaalsContact C-N 3.3Å; L463-N465 PolarHBondContact O-N 2.87Å; L463-K466 PolarHBondContact N-O 2.88Å; L463-K466 WeakPolarHBondContact O-CA 3.21Å; L463-K466 WeakPolarHBondContact O-CB 3.45Å; L463-K466 PolarHBondContact O-N 2.84Å; L463-I468 HydrophobicContact CB-CD1 4.38Å; L463-I468 HydrophobicContact CB-CG1 3.59Å; L463-T479 HydrophobicContact CD2-CG2 3.69Å; L463-Q483 HydrophobicContact CD1-CB 4.3Å; L463-Q483 HydrophobicContact CD2-CB 3.77Å; L463-Q483 HydrophobicContact CD2-CG 3.71Å
464N96.4Very high96.3Very high42 Ų4232.9 Ų32.923%0.22516%0.159CC..THydrogen-bonded Turntrans47.250.7-179.5-64.9-13.9000112.5F424 T426 K466F424-N464 HydrophobicContact CD1-CB 4.35Å; F424-N464 HydrophobicContact CE1-CB 3.88Å; F424-N464 HydrophobicContact CE2-CB 4.29Å; F424-N464 HydrophobicContact CZ-CB 3.84Å; F424-N464 PolarHBondContact N-OD1 2.92Å; F424-N464 WeakPolarHBondContact O-CA 3.36Å; F424-N464 PolarHBondContact O-N 3.26Å; F424-N464 PolarHBondContact O-OD1 3.3Å; T426-N464 PolarHBondContact OG1-N 2.95Å; T426-N464 PolarHBondContact OG1-OD1 3Å; N464-K466 PolarHBondContact O-N 2.78Å
465N95.1Very high96.5Very high68 Ų6835.1 Ų35.136%0.36417%0.172SC..THydrogen-bonded Turntrans61.413.7-173.1-63.8-45.3000116.3N425 L463N425-N465 WeakPolarHBondContact CB-OD1 3.49Å; N425-N465 PolarHBondContact ND2-ND2 2.73Å; N425-N465 PolarHBondContact ND2-OD1 2.95Å; N425-N465 PolarHBondContact O-N 2.69Å; L463-N465 VanDerWaalsContact C-N 3.3Å; L463-N465 PolarHBondContact O-N 2.87Å
466K96.4Very high96.6Very high134 Ų13435.2 Ų35.258%0.58317%0.172SC*.BIsolated β-bridgetrans-96.4131.4174.1-59.9-178178.81800111T462 L463 N464 I468T462-K466 VanDerWaalsContact CA-O 3.3Å; T462-K466 WeakPolarHBondContact CA-O 3.21Å; T462-K466 WeakPolarHBondContact CG2-O 3.33Å; L463-K466 PolarHBondContact N-O 2.88Å; L463-K466 WeakPolarHBondContact O-CA 3.21Å; L463-K466 WeakPolarHBondContact O-CB 3.45Å; L463-K466 PolarHBondContact O-N 2.84Å; N464-K466 PolarHBondContact O-N 2.78Å; K466-I468 VanDerWaalsContact C-N 3.27Å; K466-I468 HydrophobicContact CB-CD1 4.09Å; K466-I468 PolarHBondContact O-N 3.05Å
467P96.2Very high96.6Very high53 Ų5336.4 Ų36.434%0.34418%0.177SC..  trans-78.266.3-173.634-38.3000112.7M290 G469 R470M290-P467 HydrophobicContact CG-CB 4.18Å; M290-P467 VanDerWaalsContact O-CB 3.27Å; M290-P467 WeakPolarHBondContact O-CB 3.26Å; P467-G469 PolarHBondContact O-N 3.5Å; P467-R470 HydrophobicContact CB-CG 4.11Å; P467-R470 WeakPolarHBondContact O-CB 3.38Å; P467-R470 PolarHBondContact O-N 2.92Å; P467-R470 VanDerWaalsContact O-N 3.12Å
468I96.8Very high96.5Very high22 Ų2238.2 Ų38.211%0.11319%0.189CC..G310 helixtrans-61.2-28.8-176.5-55.8-54.1000112.5I460 I461 L463 K466 R470 S471 R476 T479I460-I468 HydrophobicContact CG2-CG2 3.79Å; I461-I468 PolarHBondContact O-N 3.19Å; L463-I468 HydrophobicContact CB-CD1 4.38Å; L463-I468 HydrophobicContact CB-CG1 3.59Å; K466-I468 VanDerWaalsContact C-N 3.27Å; K466-I468 HydrophobicContact CB-CD1 4.09Å; K466-I468 PolarHBondContact O-N 3.05Å; I468-R470 PolarHBondContact O-N 3.17Å; I468-S471 WeakPolarHBondContact O-CB 2.94Å; I468-S471 PolarHBondContact O-N 3.23Å; I468-R476 HydrophobicContact CG2-CB 4.26Å; I468-R476 HydrophobicContact CG2-CG 4.07Å; I468-R476 VanDerWaalsContact O-CD 3.3Å; I468-R476 WeakPolarHBondContact O-CD 2.88Å; I468-R476 WeakPolarHBondContact O-CG 3.4Å; I468-T479 HydrophobicContact CG1-CG2 4.49Å; I468-T479 HydrophobicContact CG2-CG2 4.21Å
469G95.8Very high96.5Very high0 Ų037.5 Ų37.50%019%0.189CC..G310 helixtrans-57.9-19.2176.100000114.3G291 I461 P467 S471 Y547G291-G469 CarbonylContact O-C 3.53Å; G291-G469 WeakPolarHBondContact O-CA 3.37Å; I461-G469 PolarHBondContact O-N 2.98Å; P467-G469 PolarHBondContact O-N 3.5Å; G469-S471 VanDerWaalsContact C-N 3.32Å; G469-Y547 PolarHBondContact O-N 3.38Å
470R94.7Very high96.4Very high93 Ų9337.2 Ų37.235%0.35119%0.187SC..G310 helixtrans-85.1-0.3176.8-56.3-172.3-178.7-168.9-5.5114.1M290 G291 Y293 P467 I468 F546M290-R470 VanDerWaalsContact O-CZ 3.26Å; M290-R470 PolarHBondContact O-NE 2.79Å; M290-R470 PolarHBondContact O-NH2 2.79Å; G291-R470 WeakPolarHBondContact O-CG 3.16Å; G291-R470 PolarHBondContact O-N 2.84Å; G291-R470 VanDerWaalsContact O-N 3.16Å; Y293-R470 HydrophobicContact CD2-CG 4.49Å; Y293-R470 HydrophobicContact CE2-CB 4.05Å; Y293-R470 HydrophobicContact CE2-CG 3.87Å; P467-R470 HydrophobicContact CB-CG 4.11Å; P467-R470 WeakPolarHBondContact O-CB 3.38Å; P467-R470 PolarHBondContact O-N 2.92Å; P467-R470 VanDerWaalsContact O-N 3.12Å; I468-R470 PolarHBondContact O-N 3.17Å; R470-F546 WeakPolarHBondContact O-CD1 3.26Å; R470-F546 VanDerWaalsContact O-CE1 3.26Å; R470-F546 WeakPolarHBondContact O-CE1 3.35Å
471S95.8Very high96.1Very high26 Ų2640.2 Ų40.218%0.18220%0.203CC..SBendtrans-95.4160.7171.9-59.80000111.1I468 G469 E475 R476I468-S471 WeakPolarHBondContact O-CB 2.94Å; I468-S471 PolarHBondContact O-N 3.23Å; G469-S471 VanDerWaalsContact C-N 3.32Å; S471-E475 WeakPolarHBondContact CB-OE1 3.32Å; S471-E475 WeakPolarHBondContact CB-OE2 3.34Å; S471-E475 VanDerWaalsContact OG-CD 3.26Å; S471-E475 PolarHBondContact OG-OE1 3.44Å; S471-E475 PolarHBondContact OG-OE2 2.66Å; S471-R476 PolarHBondContact O-NH1 2.7Å
472A96Very high96Very high26 Ų2646.1 Ų46.122%0.21523%0.229CC..  trans-58.7152.5174.500000112.4F474 E475 R476A472-F474 VanDerWaalsContact C-N 3.35Å; A472-F474 PolarHBondContact O-N 3.49Å; A472-F474 VanDerWaalsContact O-N 3.17Å; A472-E475 WeakPolarHBondContact O-CB 3.44Å; A472-E475 PolarHBondContact O-N 3.49Å; A472-R476 PolarHBondContact O-N 3.33Å
473F96.5Very high95.9Very high0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-50.2-46.6-172.3175.4-105.5000114.5C357 E475 R476 Y477 F511 Q539 C541 D545C357-F473 WeakPolarHBondContact SG-CE1 3.36Å; F473-E475 VanDerWaalsContact C-N 3.27Å; F473-E475 PolarHBondContact O-N 2.65Å; F473-R476 WeakPolarHBondContact O-CB 3.43Å; F473-R476 PolarHBondContact O-N 2.59Å; F473-R476 VanDerWaalsContact O-N 3.17Å; F473-Y477 HydrophobicContact CE1-CG 4.42Å; F473-Y477 HydrophobicContact CZ-CD2 4.18Å; F473-Y477 HydrophobicContact CZ-CG 4.36Å; F473-Y477 VanDerWaalsContact O-CB 3.3Å; F473-Y477 WeakPolarHBondContact O-CB 3.46Å; F473-Y477 PolarHBondContact O-N 2.79Å; F473-F511 HydrophobicContact CE1-CD1 4.43Å; F473-F511 HydrophobicContact CE1-CG 4.3Å; F473-F511 HydrophobicContact CE2-CE2 4.46Å; F473-F511 HydrophobicContact CE2-CZ 4.39Å; F473-F511 HydrophobicContact CZ-CD1 4.12Å; F473-F511 AromaticContact CZ-CD2 3.85Å; F473-F511 HydrophobicContact CZ-CD2 3.85Å; F473-F511 HydrophobicContact CZ-CE1 4.07Å; F473-F511 AromaticContact CZ-CE2 3.77Å; F473-F511 HydrophobicContact CZ-CE2 3.77Å; F473-F511 HydrophobicContact CZ-CG 4Å; F473-F511 AromaticContact CZ-CZ 3.88Å; F473-F511 HydrophobicContact CZ-CZ 3.88Å; F473-Q539 HydrophobicContact CD1-CG 4.15Å; F473-Q539 HydrophobicContact CD2-CG 3.6Å; F473-Q539 HydrophobicContact CE1-CG 4.02Å; F473-Q539 HydrophobicContact CE2-CG 3.46Å; F473-Q539 VanDerWaalsContact CE2-CG 3.46Å; F473-Q539 HydrophobicContact CG-CG 3.96Å; F473-Q539 HydrophobicContact CZ-CG 3.67Å; F473-C541 HydrophobicContact CB-CB 4.27Å; F473-C541 HydrophobicContact CD1-CB 3.85Å; F473-C541 HydrophobicContact CG-CB 4.43Å; F473-D545 PolarHBondContact N-O 2.87Å
474F95.6Very high95.7Very high106 Ų10648.7 Ų48.747%0.46524%0.241SC..Hα-helixtrans-67.6-25.8-177.7-75-60.4000113.9C357 A472 Y477 S478 C541C357-F474 HydrophobicContact CB-CZ 4.26Å; A472-F474 VanDerWaalsContact C-N 3.35Å; A472-F474 PolarHBondContact O-N 3.49Å; A472-F474 VanDerWaalsContact O-N 3.17Å; F474-Y477 HydrophobicContact CD1-CD1 4.3Å; F474-S478 WeakPolarHBondContact O-CB 3.43Å; F474-S478 PolarHBondContact O-N 3.16Å; F474-C541 HydrophobicContact CD2-CB 4.09Å; F474-C541 HydrophobicContact CE2-CB 3.55Å; F474-C541 HydrophobicContact CZ-CB 3.99Å
475E96.6Very high95.5Very high106 Ų10647.2 Ų47.250%0.49523%0.233SC..Hα-helixtrans-70.1-44.4172.4-170-177.7142.100110.6S471 A472 F473 S478 T479S471-E475 WeakPolarHBondContact CB-OE1 3.32Å; S471-E475 WeakPolarHBondContact CB-OE2 3.34Å; S471-E475 VanDerWaalsContact OG-CD 3.26Å; S471-E475 PolarHBondContact OG-OE1 3.44Å; S471-E475 PolarHBondContact OG-OE2 2.66Å; A472-E475 WeakPolarHBondContact O-CB 3.44Å; A472-E475 PolarHBondContact O-N 3.49Å; F473-E475 VanDerWaalsContact C-N 3.27Å; F473-E475 PolarHBondContact O-N 2.65Å; E475-S478 PolarHBondContact O-N 3.45Å; E475-T479 VanDerWaalsContact O-CB 3.31Å; E475-T479 WeakPolarHBondContact O-CB 3.29Å; E475-T479 PolarHBondContact O-N 2.88Å; E475-T479 PolarHBondContact O-OG1 2.93Å
476R97.4Very high95.5Very high1 Ų148 Ų480%0.00423%0.231CC..Hα-helixtrans-60.8-47.7174.5-50.3-160.8-59.2-91.36.4111.1D459 I460 I468 S471 A472 F473 S478 T479 I480 D545D459-R476 IonicContact OD1-CZ 2.82Å; D459-R476 IonicContact OD1-NE 2.74Å; D459-R476 PolarHBondContact OD1-NE 2.93Å; D459-R476 IonicContact OD1-NH2 3.33Å; D459-R476 IonicContact OD2-CZ 3.44Å; D459-R476 IonicContact OD2-NE 3.22Å; D459-R476 PolarHBondContact OD2-NE 2.86Å; D459-R476 IonicContact OD2-NH2 2.95Å; D459-R476 PolarHBondContact OD2-NH2 3.09Å; I460-R476 HydrophobicContact CG2-CB 3.8Å; I460-R476 WeakPolarHBondContact CG2-O 3.5Å; I468-R476 HydrophobicContact CG2-CB 4.26Å; I468-R476 HydrophobicContact CG2-CG 4.07Å; I468-R476 VanDerWaalsContact O-CD 3.3Å; I468-R476 WeakPolarHBondContact O-CD 2.88Å; I468-R476 WeakPolarHBondContact O-CG 3.4Å; S471-R476 PolarHBondContact O-NH1 2.7Å; A472-R476 PolarHBondContact O-N 3.33Å; F473-R476 WeakPolarHBondContact O-CB 3.43Å; F473-R476 PolarHBondContact O-N 2.59Å; F473-R476 VanDerWaalsContact O-N 3.17Å; R476-S478 PolarHBondContact O-N 2.81Å; R476-T479 WeakPolarHBondContact O-CB 3.37Å; R476-T479 PolarHBondContact O-N 3.34Å; R476-T479 VanDerWaalsContact O-N 3.14Å; R476-I480 PolarHBondContact O-N 3.14Å; R476-D545 PolarHBondContact NH1-O 3.11Å
477Y96Very high95.3Very high32 Ų3241.7 Ų41.713%0.12520%0.203CC..Hα-helixtrans-60.7-44.8177.9-175.7-114.4000112.9F473 F474 T479 I480 D481 R508 K509 F511F473-Y477 HydrophobicContact CE1-CG 4.42Å; F473-Y477 HydrophobicContact CZ-CD2 4.18Å; F473-Y477 HydrophobicContact CZ-CG 4.36Å; F473-Y477 VanDerWaalsContact O-CB 3.3Å; F473-Y477 WeakPolarHBondContact O-CB 3.46Å; F473-Y477 PolarHBondContact O-N 2.79Å; F474-Y477 HydrophobicContact CD1-CD1 4.3Å; Y477-T479 VanDerWaalsContact C-N 3.3Å; Y477-T479 PolarHBondContact O-N 3.49Å; Y477-I480 PolarHBondContact O-N 2.63Å; Y477-D481 PolarHBondContact O-N 2.67Å; Y477-R508 HydrophobicContact CD2-CG 4.34Å; Y477-R508 HydrophobicContact CE2-CG 3.88Å; Y477-R508 VanDerWaalsContact CE2-NH1 3.33Å; Y477-R508 PolarHBondContact OH-NH1 2.73Å; Y477-K509 WeakPolarHBondContact CE2-O 3.19Å; Y477-K509 PolarHBondContact OH-O 2.77Å; Y477-F511 HydrophobicContact CD2-CD2 4.11Å; Y477-F511 HydrophobicContact CE2-CB 4.44Å; Y477-F511 AromaticContact CE2-CD2 3.54Å; Y477-F511 HydrophobicContact CE2-CD2 3.54Å; Y477-F511 HydrophobicContact CE2-CE2 4.28Å; Y477-F511 HydrophobicContact CE2-CG 4.42Å; Y477-F511 PolarHBondContact OH-N 2.89Å
478S95.9Very high95.1Very high38 Ų3839.3 Ų39.327%0.26619%0.187SC..Hα-helixtrans-66.3-34.1174.8-170.10000112F474 E475 R476 D481 K482F474-S478 WeakPolarHBondContact O-CB 3.43Å; F474-S478 PolarHBondContact O-N 3.16Å; E475-S478 PolarHBondContact O-N 3.45Å; R476-S478 PolarHBondContact O-N 2.81Å; S478-D481 PolarHBondContact O-N 3.14Å; S478-K482 WeakPolarHBondContact O-CB 3.34Å; S478-K482 WeakPolarHBondContact O-CG 3.42Å; S478-K482 PolarHBondContact O-N 2.88Å; S478-K482 VanDerWaalsContact OG-CE 3.24Å; S478-K482 WeakPolarHBondContact OG-CE 3.03Å; S478-K482 PolarHBondContact OG-NZ 3.3Å
479T97Very high94.6Very high22 Ų2240.5 Ų40.514%0.13519%0.194CC..Hα-helixtrans-63.9-42176.7-63.20000111.5I460 L463 I468 E475 R476 Y477 D481 K482 Q483I460-T479 HydrophobicContact CD1-CG2 4.37Å; L463-T479 HydrophobicContact CD2-CG2 3.69Å; I468-T479 HydrophobicContact CG1-CG2 4.49Å; I468-T479 HydrophobicContact CG2-CG2 4.21Å; E475-T479 VanDerWaalsContact O-CB 3.31Å; E475-T479 WeakPolarHBondContact O-CB 3.29Å; E475-T479 PolarHBondContact O-N 2.88Å; E475-T479 PolarHBondContact O-OG1 2.93Å; R476-T479 WeakPolarHBondContact O-CB 3.37Å; R476-T479 PolarHBondContact O-N 3.34Å; R476-T479 VanDerWaalsContact O-N 3.14Å; Y477-T479 VanDerWaalsContact C-N 3.3Å; Y477-T479 PolarHBondContact O-N 3.49Å; T479-D481 VanDerWaalsContact C-N 3.3Å; T479-D481 PolarHBondContact O-N 3.33Å; T479-K482 PolarHBondContact O-N 3.07Å; T479-Q483 HydrophobicContact CG2-CB 4.27Å; T479-Q483 HydrophobicContact CG2-CG 3.9Å; T479-Q483 VanDerWaalsContact O-CB 3.24Å; T479-Q483 WeakPolarHBondContact O-CB 3.24Å; T479-Q483 PolarHBondContact O-N 3.24Å
480I96.1Very high94.3Very high0 Ų041.5 Ų41.50%020%0.2CC..Iπ-helixtrans-56.3-47.8173.8-65.2158.8000110.5I457 I460 R476 Y477 V484 I485 R508I457-I480 HydrophobicContact CB-CG2 4.16Å; I457-I480 HydrophobicContact CD1-CG2 4.27Å; I457-I480 HydrophobicContact CG2-CD1 3.77Å; I457-I480 HydrophobicContact CG2-CG1 4.05Å; I457-I480 HydrophobicContact CG2-CG2 3.84Å; I460-I480 HydrophobicContact CB-CD1 4.24Å; I460-I480 HydrophobicContact CB-CG1 3.84Å; I460-I480 HydrophobicContact CG2-CD1 4.11Å; I460-I480 HydrophobicContact CG2-CG1 3.73Å; R476-I480 PolarHBondContact O-N 3.14Å; Y477-I480 PolarHBondContact O-N 2.63Å; I480-V484 WeakPolarHBondContact O-CA 3.43Å; I480-V484 VanDerWaalsContact O-CB 3.31Å; I480-V484 WeakPolarHBondContact O-CB 3.41Å; I480-V484 PolarHBondContact O-N 3.39Å; I480-I485 HydrophobicContact CG2-CG1 4.11Å; I480-I485 PolarHBondContact O-N 2.85Å; I480-R508 HydrophobicContact CG2-CB 4.04Å; I480-R508 HydrophobicContact CG2-CG 3.9Å
481D91.3Very high93.9Very high63 Ų6337.1 Ų37.134%0.33718%0.183SC..Iπ-helixtrans-62-49.6-178.4-154.361.7000111.6Y477 S478 T479 W486 R508Y477-D481 PolarHBondContact O-N 2.67Å; S478-D481 PolarHBondContact O-N 3.14Å; T479-D481 VanDerWaalsContact C-N 3.3Å; T479-D481 PolarHBondContact O-N 3.33Å; D481-W486 VanDerWaalsContact O-CB 3.24Å; D481-W486 WeakPolarHBondContact O-CB 3.31Å; D481-W486 PolarHBondContact O-N 2.8Å; D481-R508 IonicContact OD1-CZ 2.86Å; D481-R508 IonicContact OD1-NE 3.81Å; D481-R508 PolarHBondContact OD1-NE 3.48Å; D481-R508 IonicContact OD1-NH2 3.32Å; D481-R508 PolarHBondContact OD1-NH2 3Å
482K94Very high93.4Very high124 Ų12436.7 Ų36.754%0.53918%0.183SC..Iπ-helixtrans-75.7-39.1-174.4-70.6168.7177.5159.70114.1V397 S478 T479 P487V397-K482 WeakPolarHBondContact CG2-O 3.49Å; S478-K482 WeakPolarHBondContact O-CB 3.34Å; S478-K482 WeakPolarHBondContact O-CG 3.42Å; S478-K482 PolarHBondContact O-N 2.88Å; S478-K482 VanDerWaalsContact OG-CE 3.24Å; S478-K482 WeakPolarHBondContact OG-CE 3.03Å; S478-K482 PolarHBondContact OG-NZ 3.3Å; T479-K482 PolarHBondContact O-N 3.07Å; K482-P487 WeakPolarHBondContact O-CD 3.18Å
483Q95.9Very high92.8Very high66 Ų6643.6 Ų43.631%0.30821%0.211SC..Iπ-helixtrans-103.7-20.4-168.3-58.2-66.9-26.800113.4V397 L463 T479 P487V397-Q483 VanDerWaalsContact CG2-OE1 3.25Å; L463-Q483 HydrophobicContact CD1-CB 4.3Å; L463-Q483 HydrophobicContact CD2-CB 3.77Å; L463-Q483 HydrophobicContact CD2-CG 3.71Å; T479-Q483 HydrophobicContact CG2-CB 4.27Å; T479-Q483 HydrophobicContact CG2-CG 3.9Å; T479-Q483 VanDerWaalsContact O-CB 3.24Å; T479-Q483 WeakPolarHBondContact O-CB 3.24Å; T479-Q483 PolarHBondContact O-N 3.24Å; Q483-P487 WeakPolarHBondContact O-CG 3.41Å
484V94.3Very high92.3Very high1 Ų146.1 Ų46.11%0.00622%0.224CC..Iπ-helixtrans-115.7-52.8-176.9-1740000111.1F394 L423 L428 I457 I480 R488F394-V484 HydrophobicContact CD1-CG1 3.84Å; F394-V484 HydrophobicContact CE1-CG1 3.88Å; L423-V484 HydrophobicContact CD1-CG2 4.12Å; L428-V484 HydrophobicContact CD1-CG1 4.1Å; L428-V484 HydrophobicContact CD2-CG2 4.15Å; I457-V484 HydrophobicContact CD1-CG1 3.94Å; I480-V484 WeakPolarHBondContact O-CA 3.43Å; I480-V484 VanDerWaalsContact O-CB 3.31Å; I480-V484 WeakPolarHBondContact O-CB 3.41Å; I480-V484 PolarHBondContact O-N 3.39Å; V484-R488 VanDerWaalsContact O-CG 3.29Å; V484-R488 WeakPolarHBondContact O-CG 3.48Å
485I93Very high91.7Very high11 Ų1144.1 Ų44.16%0.05623%0.234CC..Iπ-helixtrans-78.9-48.6-174-61.1-57.3000112I457 I480 R488 N489 R508I457-I485 HydrophobicContact CD1-CD1 4.19Å; I480-I485 HydrophobicContact CG2-CG1 4.11Å; I480-I485 PolarHBondContact O-N 2.85Å; I485-R488 PolarHBondContact O-N 3.4Å; I485-N489 WeakPolarHBondContact CG2-ND2 3.32Å; I485-N489 PolarHBondContact O-N 2.99Å; I485-R508 HydrophobicContact CG1-CB 3.97Å
486W93.5Very high91.2Very high85 Ų8540.4 Ų40.432%0.32222%0.217SC..Hα-helixtrans-57.6-49.2-178.2177.389.8000112.6V397 I400 R401 D481 R488 N489 T490V397-W486 HydrophobicContact CB-CZ3 4.36Å; V397-W486 HydrophobicContact CG1-CE3 4.41Å; V397-W486 HydrophobicContact CG1-CZ3 3.91Å; V397-W486 HydrophobicContact CG2-CE3 4.17Å; V397-W486 HydrophobicContact CG2-CZ3 4.34Å; I400-W486 HydrophobicContact CB-CH2 4.47Å; I400-W486 HydrophobicContact CB-CZ3 4.2Å; I400-W486 HydrophobicContact CG2-CH2 3.71Å; I400-W486 HydrophobicContact CG2-CZ3 3.84Å; R401-W486 HydrophobicContact CG-CH2 3.89Å; R401-W486 HydrophobicContact CG-CZ3 4.37Å; D481-W486 VanDerWaalsContact O-CB 3.24Å; D481-W486 WeakPolarHBondContact O-CB 3.31Å; D481-W486 PolarHBondContact O-N 2.8Å; W486-R488 VanDerWaalsContact C-N 3.32Å; W486-R488 PolarHBondContact O-N 3.14Å; W486-N489 PolarHBondContact O-N 3.09Å; W486-T490 HydrophobicContact CZ2-CG2 4.24Å; W486-T490 PolarHBondContact NE1-OG1 2.89Å; W486-T490 WeakPolarHBondContact O-CB 3.32Å; W486-T490 PolarHBondContact O-N 3.38Å; W486-T490 PolarHBondContact O-OG1 2.85Å; W486-T490 VanDerWaalsContact O-OG1 3.04Å
487P92.3Very high90.5Very high0 Ų040.5 Ų40.50%022%0.218CC..Hα-helixtrans-60-39.8178.2-26.436.7000113.4P395 V397 I400 K482 Q483 G491P395-P487 HydrophobicContact CG-CB 4.17Å; P395-P487 WeakPolarHBondContact O-CB 3.4Å; V397-P487 HydrophobicContact CB-CG 4.4Å; V397-P487 HydrophobicContact CG2-CG 3.51Å; I400-P487 WeakPolarHBondContact CD1-O 3.36Å; I400-P487 HydrophobicContact CG1-CB 3.95Å; K482-P487 WeakPolarHBondContact O-CD 3.18Å; Q483-P487 WeakPolarHBondContact O-CG 3.41Å; P487-G491 WeakPolarHBondContact O-CA 3.41Å; P487-G491 PolarHBondContact O-N 3.31Å
488R91.7Very high90.1Very high3 Ų343.2 Ų43.21%0.01123%0.234CC..Hα-helixtrans-65.6-48.6178.1-70.4-176.988.1-1225.2111.6H393 F394 V484 I485 W486 G491 G492 F499H393-R488 WeakPolarHBondContact O-CD 3.45Å; H393-R488 PolarHBondContact O-NE 3.23Å; F394-R488 HydrophobicContact CD1-CG 4.41Å; V484-R488 VanDerWaalsContact O-CG 3.29Å; V484-R488 WeakPolarHBondContact O-CG 3.48Å; I485-R488 PolarHBondContact O-N 3.4Å; W486-R488 VanDerWaalsContact C-N 3.32Å; W486-R488 PolarHBondContact O-N 3.14Å; R488-G491 PolarHBondContact O-N 3.42Å; R488-G492 PolarHBondContact O-N 2.99Å; R488-F499 VanDerWaalsContact O-CZ 3.3Å; R488-F499 WeakPolarHBondContact O-CZ 3.29Å
489N87.5Confident89.7Confident47 Ų4745.5 Ų45.525%0.25124%0.239SC..Hα-helixtrans-65.6-47.1-178.9-73.2-11.7000111.6I485 W486 G492 H493 R507I485-N489 WeakPolarHBondContact CG2-ND2 3.32Å; I485-N489 PolarHBondContact O-N 2.99Å; W486-N489 PolarHBondContact O-N 3.09Å; N489-G492 PolarHBondContact O-N 3.11Å; N489-H493 PolarHBondContact O-N 3.09Å; N489-R507 PolarHBondContact OD1-NH1 3.07Å
490T88.6Confident89.1Confident22 Ų2248.5 Ų48.514%0.13526%0.262CS..Hα-helixtrans-63-43.4176.3-580000110.8I400 W486 G492 H493 L494I400-T490 HydrophobicContact CG2-CG2 3.6Å; W486-T490 HydrophobicContact CZ2-CG2 4.24Å; W486-T490 PolarHBondContact NE1-OG1 2.89Å; W486-T490 WeakPolarHBondContact O-CB 3.32Å; W486-T490 PolarHBondContact O-N 3.38Å; W486-T490 PolarHBondContact O-OG1 2.85Å; W486-T490 VanDerWaalsContact O-OG1 3.04Å; T490-G492 VanDerWaalsContact C-N 3.3Å; T490-G492 PolarHBondContact O-N 3.3Å; T490-H493 PolarHBondContact O-N 2.78Å; T490-L494 HydrophobicContact CG2-CD1 3.94Å; T490-L494 HydrophobicContact CG2-CG 4.4Å; T490-L494 WeakPolarHBondContact O-CB 3.39Å; T490-L494 VanDerWaalsContact O-CG 3.3Å; T490-L494 WeakPolarHBondContact O-CG 3.2Å; T490-L494 PolarHBondContact O-N 3.43Å
491G87Confident88.8Confident0 Ų051.3 Ų51.30%028%0.279CS..Hα-helixtrans-57.7-42.2173.600000112.3P487 R488 L494 G495 L496 V497P487-G491 WeakPolarHBondContact O-CA 3.41Å; P487-G491 PolarHBondContact O-N 3.31Å; R488-G491 PolarHBondContact O-N 3.42Å; G491-L494 PolarHBondContact O-N 2.94Å; G491-G495 PolarHBondContact O-N 3.27Å; G491-L496 WeakPolarHBondContact O-CA 3.48Å; G491-L496 WeakPolarHBondContact O-CB 3.25Å; G491-L496 PolarHBondContact O-N 3.35Å; G491-V497 PolarHBondContact O-N 2.78Å; G491-V497 VanDerWaalsContact O-N 3.17Å
492G85.1Confident88.8Confident17 Ų1748.8 Ų48.818%0.17527%0.265CS..Hα-helixtrans-62.8-46.4174.200000113.6R488 N489 T490 L494 G495 V497R488-G492 PolarHBondContact O-N 2.99Å; N489-G492 PolarHBondContact O-N 3.11Å; T490-G492 VanDerWaalsContact C-N 3.3Å; T490-G492 PolarHBondContact O-N 3.3Å; G492-L494 VanDerWaalsContact C-N 3.27Å; G492-L494 PolarHBondContact O-N 3.18Å; G492-G495 PolarHBondContact O-N 3.01Å; G492-V497 WeakPolarHBondContact CA-O 3.44Å
493H83.6Confident88.7Confident171 Ų17143.2 Ų43.279%0.79224%0.241SC*.Hα-helixtrans-63.1-32.8176.5-67.3155.9000113.2N489 T490 G495N489-H493 PolarHBondContact O-N 3.09Å; T490-H493 PolarHBondContact O-N 2.78Å; H493-G495 PolarHBondContact O-N 3.11Å
494L85.5Confident88.5Confident53 Ų5340.4 Ų40.428%0.27723%0.228SC..THydrogen-bonded Turntrans-80.9-1.9176.2-66.8175.6000113.4E404 R412 T490 G491 G492 L496E404-L494 HydrophobicContact CB-CD1 4.48Å; R412-L494 PolarHBondContact NH1-O 3.23Å; T490-L494 HydrophobicContact CG2-CD1 3.94Å; T490-L494 HydrophobicContact CG2-CG 4.4Å; T490-L494 WeakPolarHBondContact O-CB 3.39Å; T490-L494 VanDerWaalsContact O-CG 3.3Å; T490-L494 WeakPolarHBondContact O-CG 3.2Å; T490-L494 PolarHBondContact O-N 3.43Å; G491-L494 PolarHBondContact O-N 2.94Å; G492-L494 VanDerWaalsContact C-N 3.27Å; G492-L494 PolarHBondContact O-N 3.18Å; L494-L496 HydrophobicContact CB-CD1 3.84Å; L494-L496 HydrophobicContact CB-CG 3.8Å; L494-L496 HydrophobicContact CD1-CD1 3.88Å; L494-L496 PolarHBondContact O-N 3.1Å
495G84.2Confident88.4Confident65 Ų6542 Ų4267%0.6724%0.239SC*.THydrogen-bonded Turntrans71.115.4-174.900000114.3G491 G492 H493G491-G495 PolarHBondContact O-N 3.27Å; G492-G495 PolarHBondContact O-N 3.01Å; H493-G495 PolarHBondContact O-N 3.11Å
496L84.9Confident88.3Confident28 Ų2841.5 Ų41.515%0.14724%0.237CC..SBendtrans-83.8-23.2178.7-58.2174.2000112.5W399 I400 N403 R412 G491 L494W399-L496 HydrophobicContact CH2-CB 3.93Å; W399-L496 HydrophobicContact CH2-CD1 3.8Å; W399-L496 HydrophobicContact CH2-CD2 4.01Å; W399-L496 HydrophobicContact CH2-CG 4.12Å; W399-L496 HydrophobicContact CZ3-CB 4.08Å; W399-L496 HydrophobicContact CZ3-CD1 3.71Å; W399-L496 HydrophobicContact CZ3-CG 4.37Å; I400-L496 HydrophobicContact CD1-CD1 3.99Å; N403-L496 HydrophobicContact CB-CD1 4.02Å; R412-L496 HydrophobicContact CB-CD2 4.43Å; R412-L496 HydrophobicContact CG-CD2 4.38Å; G491-L496 WeakPolarHBondContact O-CA 3.48Å; G491-L496 WeakPolarHBondContact O-CB 3.25Å; G491-L496 PolarHBondContact O-N 3.35Å; L494-L496 HydrophobicContact CB-CD1 3.84Å; L494-L496 HydrophobicContact CB-CG 3.8Å; L494-L496 HydrophobicContact CD1-CD1 3.88Å; L494-L496 PolarHBondContact O-N 3.1Å
497V83.6Confident88.2Confident3 Ų342.3 Ų42.32%0.01824%0.24CC..SBendtrans-126.6113.1177.1-179.60000108.6H393 P395 G491 G492 F499H393-V497 HydrophobicContact CB-CG1 4.42Å; P395-V497 HydrophobicContact CG-CG2 3.93Å; G491-V497 PolarHBondContact O-N 2.78Å; G491-V497 VanDerWaalsContact O-N 3.17Å; G492-V497 WeakPolarHBondContact CA-O 3.44Å; V497-F499 HydrophobicContact CG1-CD1 4.27Å; V497-F499 HydrophobicContact CG1-CE1 4.12Å; V497-F499 PolarHBondContact O-N 3.27Å
498D87.3Confident88.3Confident88 Ų8845.7 Ų45.747%0.47125%0.253SS..  trans-82.3104.7175.1-175.6-7.3000110.7S500 T501D498-S500 VanDerWaalsContact CG-OG 3.24Å; D498-S500 PolarHBondContact O-N 2.91Å; D498-S500 VanDerWaalsContact OD1-CB 3.29Å; D498-S500 WeakPolarHBondContact OD1-CB 3.33Å; D498-S500 PolarHBondContact OD1-N 3Å; D498-S500 PolarHBondContact OD1-OG 3.28Å; D498-S500 PolarHBondContact OD2-OG 3.09Å; D498-T501 HydrophobicContact CB-CG2 4.16Å; D498-T501 PolarHBondContact O-N 3.16Å; D498-T501 PolarHBondContact O-OG1 3.06Å; D498-T501 WeakPolarHBondContact OD2-CG2 3.39Å
499F87.3Confident88.5Confident86 Ų8645.8 Ų45.838%0.37725%0.253SS..THydrogen-bonded Turntrans-66-21.3178.6-67.6-52.4000114.3R488 V497 T501 Q502R488-F499 VanDerWaalsContact O-CZ 3.3Å; R488-F499 WeakPolarHBondContact O-CZ 3.29Å; V497-F499 HydrophobicContact CG1-CD1 4.27Å; V497-F499 HydrophobicContact CG1-CE1 4.12Å; V497-F499 PolarHBondContact O-N 3.27Å; F499-T501 VanDerWaalsContact C-N 3.28Å; F499-T501 PolarHBondContact O-N 3.36Å; F499-Q502 HydrophobicContact CD1-CG 4.35Å; F499-Q502 PolarHBondContact O-N 3.46Å
500S85.1Confident88.7Confident86 Ų8646 Ų4660%0.60126%0.261SS*.THydrogen-bonded Turntrans-70.9-26.7179.875.30000112.7K266 D498K266-S500 PolarHBondContact NZ-O 3.24Å; D498-S500 VanDerWaalsContact CG-OG 3.24Å; D498-S500 PolarHBondContact O-N 2.91Å; D498-S500 VanDerWaalsContact OD1-CB 3.29Å; D498-S500 WeakPolarHBondContact OD1-CB 3.33Å; D498-S500 PolarHBondContact OD1-N 3Å; D498-S500 PolarHBondContact OD1-OG 3.28Å; D498-S500 PolarHBondContact OD2-OG 3.09Å
501T89.8Confident89.1Confident58 Ų5846.1 Ų46.136%0.35626%0.26SS..THydrogen-bonded Turntrans-81.7-24.2178.564.60000113D498 F499D498-T501 HydrophobicContact CB-CG2 4.16Å; D498-T501 PolarHBondContact O-N 3.16Å; D498-T501 PolarHBondContact O-OG1 3.06Å; D498-T501 WeakPolarHBondContact OD2-CG2 3.39Å; F499-T501 VanDerWaalsContact C-N 3.28Å; F499-T501 PolarHBondContact O-N 3.36Å
502Q90.1Very high89.5Confident10 Ų1050.2 Ų50.25%0.04728%0.275CS..SBendtrans-63.8146-175.1-55.2-73.6-67.500111.1V391 L392 H393 F499 F504V391-Q502 CarbonylContact O-C 3.27Å; V391-Q502 WeakPolarHBondContact O-CA 3.5Å; L392-Q502 HydrophobicContact CD1-CB 4.41Å; H393-Q502 PolarHBondContact ND1-NE2 3.24Å; F499-Q502 HydrophobicContact CD1-CG 4.35Å; F499-Q502 PolarHBondContact O-N 3.46Å; Q502-F504 VanDerWaalsContact C-N 3.32Å; Q502-F504 PolarHBondContact O-N 3.38Å
503S92.1Very high89.9Confident7 Ų751.4 Ų51.45%0.04928%0.283CS..SBendtrans-61.7-39.7178.6-62.30000112.6K266 N390 V391K266-S503 VanDerWaalsContact O-CB 3.26Å; K266-S503 WeakPolarHBondContact O-CB 3.41Å; K266-S503 PolarHBondContact O-OG 3.29Å; N390-S503 PolarHBondContact N-OG 2.86Å; N390-S503 VanDerWaalsContact N-OG 3.15Å; V391-S503 PolarHBondContact N-OG 2.97Å; V391-S503 PolarHBondContact O-N 3.31Å; V391-S503 PolarHBondContact O-OG 3.27Å
504F92.8Very high90.4Very high8 Ų843.9 Ų43.94%0.03525%0.249CC..SBendtrans-157.9164.3176.847.2-102.2000111.3V264 V267 M369 L379 P389 L392 L432 P453 F455 Q502 V506V264-F504 HydrophobicContact CG1-CD1 4.34Å; V267-F504 HydrophobicContact CG2-CD1 4.19Å; V267-F504 HydrophobicContact CG2-CE1 3.95Å; M369-F504 HydrophobicContact CE-CE2 3.85Å; M369-F504 HydrophobicContact CE-CZ 4.1Å; L379-F504 HydrophobicContact CD1-CE1 3.97Å; L379-F504 HydrophobicContact CD1-CZ 3.87Å; L379-F504 HydrophobicContact CD2-CZ 4.37Å; L379-F504 HydrophobicContact CG-CZ 4.49Å; P389-F504 HydrophobicContact CB-CE1 4.13Å; P389-F504 HydrophobicContact CB-CZ 4.45Å; P389-F504 HydrophobicContact CG-CE1 3.86Å; P389-F504 HydrophobicContact CG-CZ 3.93Å; L392-F504 HydrophobicContact CD1-CD2 4.39Å; L392-F504 HydrophobicContact CD1-CE2 4.2Å; L392-F504 HydrophobicContact CD2-CE2 3.7Å; L392-F504 HydrophobicContact CD2-CZ 3.81Å; L432-F504 HydrophobicContact CD1-CD1 4.31Å; L432-F504 HydrophobicContact CD1-CD2 4.11Å; L432-F504 HydrophobicContact CD1-CE2 4.4Å; L432-F504 HydrophobicContact CD1-CG 4.08Å; P453-F504 HydrophobicContact CB-CB 3.76Å; P453-F504 HydrophobicContact CG-CB 3.79Å; P453-F504 WeakPolarHBondContact O-CB 3.35Å; F455-F504 HydrophobicContact CB-CD2 3.85Å; F455-F504 HydrophobicContact CB-CE2 3.62Å; F455-F504 HydrophobicContact CG-CE2 4.29Å; Q502-F504 VanDerWaalsContact C-N 3.32Å; Q502-F504 PolarHBondContact O-N 3.38Å; F504-V506 HydrophobicContact CD2-CG2 4.2Å; F504-V506 HydrophobicContact CE2-CG2 4.13Å
505S90.6Very high90.8Very high34 Ų3447 Ų4724%0.23826%0.262CS..EExtended strand (participates in β ladder)trans-74.1147.8176.366.40000111P453 R454 F455P453-S505 PolarHBondContact O-N 3.02Å; P453-S505 VanDerWaalsContact O-N 3.1Å; P453-S505 PolarHBondContact O-OG 2.94Å; P453-S505 VanDerWaalsContact O-OG 3.08Å; R454-S505 CarbonylContact C-O 2.98Å; R454-S505 VanDerWaalsContact CA-O 3.29Å; R454-S505 WeakPolarHBondContact CA-O 3.45Å; R454-S505 WeakPolarHBondContact CA-OG 3.43Å; R454-S505 WeakPolarHBondContact CB-OG 3.48Å; R454-S505 VanDerWaalsContact CG-OG 3.25Å; R454-S505 WeakPolarHBondContact CG-OG 2.94Å; F455-S505 PolarHBondContact N-O 3.37Å
506V92.8Very high91.2Very high1 Ų146 Ų461%0.00624%0.242CC..EExtended strand (participates in β ladder)trans-125.3130.9175.3-1700000108.7L392 F455 I457 F504L392-V506 HydrophobicContact CD1-CG2 3.99Å; L392-V506 HydrophobicContact CD2-CG2 4.22Å; F455-V506 HydrophobicContact CB-CG1 4.34Å; F455-V506 HydrophobicContact CB-CG2 4.36Å; F455-V506 HydrophobicContact CD1-CG1 4.17Å; F455-V506 WeakPolarHBondContact O-CA 3.31Å; I457-V506 HydrophobicContact CD1-CG1 3.46Å; I457-V506 VanDerWaalsContact CD1-CG1 3.46Å; I457-V506 HydrophobicContact CG1-CG1 3.81Å; F504-V506 HydrophobicContact CD2-CG2 4.2Å; F504-V506 HydrophobicContact CE2-CG2 4.13Å
507R91.2Very high91.7Very high102 Ų10244.7 Ų44.739%0.38524%0.235SC..EExtended strand (participates in β ladder)trans-137.9153.9-179.2-63.7-65.4-179-138.87.1109.4R454 F455 L456 I457 N489R454-R507 HydrophobicContact CG-CB 4.42Å; R454-R507 HydrophobicContact CG-CG 4.12Å; F455-R507 PolarHBondContact O-N 2.91Å; L456-R507 CarbonylContact C-O 3.48Å; L456-R507 WeakPolarHBondContact CA-O 3.11Å; L456-R507 HydrophobicContact CD2-CB 4.09Å; I457-R507 PolarHBondContact N-O 3.41Å; N489-R507 PolarHBondContact OD1-NH1 3.07Å
508R94.1Very high92.2Very high70 Ų7048.5 Ų48.526%0.26425%0.253SS..EExtended strand (participates in β ladder)trans-80.1134166.8-177.8177.554.269-7.6108.7I457 Y477 I480 D481 I485I457-R508 CarbonylContact O-C 3.56Å; I457-R508 WeakPolarHBondContact O-CA 3.43Å; Y477-R508 HydrophobicContact CD2-CG 4.34Å; Y477-R508 HydrophobicContact CE2-CG 3.88Å; Y477-R508 VanDerWaalsContact CE2-NH1 3.33Å; Y477-R508 PolarHBondContact OH-NH1 2.73Å; I480-R508 HydrophobicContact CG2-CB 4.04Å; I480-R508 HydrophobicContact CG2-CG 3.9Å; D481-R508 IonicContact OD1-CZ 2.86Å; D481-R508 IonicContact OD1-NE 3.81Å; D481-R508 PolarHBondContact OD1-NE 3.48Å; D481-R508 IonicContact OD1-NH2 3.32Å; D481-R508 PolarHBondContact OD1-NH2 3Å; I485-R508 HydrophobicContact CG1-CB 3.97Å
509K94.5Very high92.5Very high6 Ų648.1 Ų48.13%0.02625%0.248CC..PPolyproline II helixtrans-69.1136.9173.7-165.4170.7-177.3175.10109.5T359 Y360 E431 L456 I457 Y458 Y477T359-K509 HydrophobicContact CG2-CD 4.41Å; T359-K509 WeakPolarHBondContact OG1-CE 3.1Å; Y360-K509 WeakPolarHBondContact O-CE 3.3Å; Y360-K509 PolarHBondContact O-NZ 3.48Å; E431-K509 IonicContact OE2-NZ 3.53Å; L456-K509 HydrophobicContact CB-CB 4.27Å; I457-K509 PolarHBondContact O-N 2.85Å; Y458-K509 HydrophobicContact CD1-CD 4.3Å; Y477-K509 WeakPolarHBondContact CE2-O 3.19Å; Y477-K509 PolarHBondContact OH-O 2.77Å
510A93.2Very high92.8Very high50 Ų5044.1 Ų44.141%0.41323%0.23SC..PPolyproline II helixtrans-83.4123.1-178.900000110.9T359T359-A510 WeakPolarHBondContact CB-O 3.41Å; T359-A510 PolarHBondContact OG1-O 3.15Å
511F96Very high93.1Very high25 Ų2542.1 Ų42.111%0.1121%0.213CC..PPolyproline II helixtrans-99.4142164.7-73-96.7000109.9C357 T359 F473 Y477 Q539C357-F511 HydrophobicContact CB-CB 4.43Å; C357-F511 HydrophobicContact CB-CD1 4.44Å; C357-F511 WeakPolarHBondContact SG-CD1 3.49Å; T359-F511 HydrophobicContact CG2-CD1 3.89Å; T359-F511 HydrophobicContact CG2-CE1 3.45Å; T359-F511 VanDerWaalsContact CG2-CE1 3.45Å; T359-F511 HydrophobicContact CG2-CE2 4.48Å; T359-F511 HydrophobicContact CG2-CZ 3.81Å; F473-F511 HydrophobicContact CE1-CD1 4.43Å; F473-F511 HydrophobicContact CE1-CG 4.3Å; F473-F511 HydrophobicContact CE2-CE2 4.46Å; F473-F511 HydrophobicContact CE2-CZ 4.39Å; F473-F511 HydrophobicContact CZ-CD1 4.12Å; F473-F511 AromaticContact CZ-CD2 3.85Å; F473-F511 HydrophobicContact CZ-CD2 3.85Å; F473-F511 HydrophobicContact CZ-CE1 4.07Å; F473-F511 AromaticContact CZ-CE2 3.77Å; F473-F511 HydrophobicContact CZ-CE2 3.77Å; F473-F511 HydrophobicContact CZ-CG 4Å; F473-F511 AromaticContact CZ-CZ 3.88Å; F473-F511 HydrophobicContact CZ-CZ 3.88Å; Y477-F511 HydrophobicContact CD2-CD2 4.11Å; Y477-F511 HydrophobicContact CE2-CB 4.44Å; Y477-F511 AromaticContact CE2-CD2 3.54Å; Y477-F511 HydrophobicContact CE2-CD2 3.54Å; Y477-F511 HydrophobicContact CE2-CE2 4.28Å; Y477-F511 HydrophobicContact CE2-CG 4.42Å; Y477-F511 PolarHBondContact OH-N 2.89Å; F511-Q539 HydrophobicContact CD1-CB 4.13Å; F511-Q539 HydrophobicContact CE1-CB 3.5Å; F511-Q539 VanDerWaalsContact CE1-CB 3.5Å; F511-Q539 HydrophobicContact CE1-CG 4.06Å; F511-Q539 HydrophobicContact CZ-CB 4.29Å; F511-Q539 HydrophobicContact CZ-CG 4.47Å
512R95Very high93.3Very high86 Ų8644.6 Ų44.633%0.32522%0.219SC..EExtended strand (participates in β ladder)trans-114.2164.8177.7-65.3-164.6179-129.3-2.9110.9C357 V358 D516 E519C357-R512 WeakPolarHBondContact CB-O 3.31Å; V358-R512 HydrophobicContact CG1-CB 4.37Å; V358-R512 PolarHBondContact N-O 2.89Å; V358-R512 PolarHBondContact O-N 3.33Å; R512-D516 HydrophobicContact CB-CB 3.93Å; R512-E519 IonicContact NH1-OE1 2.85Å; R512-E519 PolarHBondContact NH1-OE1 3.26Å; R512-E519 IonicContact NH1-OE2 3.72Å; R512-E519 PolarHBondContact NH1-OE2 2.96Å
513A94.8Very high93.2Very high42 Ų4248.2 Ų48.235%0.34724%0.243SC..EExtended strand (participates in β ladder)trans-64.6148.6172.800000109.5V358 Q515 D516V358-A513 WeakPolarHBondContact CG1-O 3.17Å; A513-Q515 HydrophobicContact CB-CG 3.8Å; A513-Q515 PolarHBondContact O-N 3.05Å; A513-Q515 VanDerWaalsContact O-N 3.09Å; A513-D516 PolarHBondContact N-OD2 3.07Å; A513-D516 WeakPolarHBondContact O-CB 3.29Å; A513-D516 PolarHBondContact O-N 2.9Å
514L94.2Very high93.2Very high14 Ų1451.3 Ų51.37%0.07327%0.269CS..G310 helixtrans-55.2-33-177.5-173.562.7000113.1L351 Y356 D516 T517 F538 V663L351-L514 HydrophobicContact CD2-CD1 4.4Å; Y356-L514 WeakPolarHBondContact O-CB 3.37Å; L514-D516 PolarHBondContact O-N 2.75Å; L514-T517 WeakPolarHBondContact O-CB 3.36Å; L514-T517 PolarHBondContact O-N 3.25Å; L514-T517 VanDerWaalsContact O-N 3.15Å; L514-T517 PolarHBondContact O-OG1 2.91Å; L514-F538 HydrophobicContact CD1-CD1 3.69Å; L514-F538 HydrophobicContact CD1-CE1 3.86Å; L514-V663 HydrophobicContact CD1-CG2 4Å; L514-V663 HydrophobicContact CD2-CG2 4.4Å; L514-V663 HydrophobicContact CG-CG1 4.15Å; L514-V663 HydrophobicContact CG-CG2 3.86Å; L514-V663 WeakPolarHBondContact O-CG1 3.49Å
515Q93Very high93Very high118 Ų11852.1 Ų52.155%0.55127%0.272SS*.G310 helixtrans-59.3-24.117562.9-149.631.600115.1A513 T517A513-Q515 HydrophobicContact CB-CG 3.8Å; A513-Q515 PolarHBondContact O-N 3.05Å; A513-Q515 VanDerWaalsContact O-N 3.09Å; Q515-T517 PolarHBondContact O-N 3.06Å
516D93.9Very high92.8Very high44 Ų4453.8 Ų53.824%0.23528%0.279CS..G310 helixtrans-82.94.4-179.3-53.3-28.3000111.8R512 A513 L514 E518 E519 L520R512-D516 HydrophobicContact CB-CB 3.93Å; A513-D516 PolarHBondContact N-OD2 3.07Å; A513-D516 WeakPolarHBondContact O-CB 3.29Å; A513-D516 PolarHBondContact O-N 2.9Å; L514-D516 PolarHBondContact O-N 2.75Å; D516-E518 PolarHBondContact O-N 3.4Å; D516-E519 WeakPolarHBondContact O-CA 3.38Å; D516-E519 WeakPolarHBondContact O-CB 3.46Å; D516-E519 PolarHBondContact O-N 3.43Å; D516-L520 PolarHBondContact O-N 2.82Å
517T94.7Very high92.4Very high1 Ų160.8 Ų60.81%0.00631%0.311CS..Hα-helixtrans-53.1-42.5177.8-63.80000111.8L514 Q515 E519 L520 L521 L536 F538L514-T517 WeakPolarHBondContact O-CB 3.36Å; L514-T517 PolarHBondContact O-N 3.25Å; L514-T517 VanDerWaalsContact O-N 3.15Å; L514-T517 PolarHBondContact O-OG1 2.91Å; Q515-T517 PolarHBondContact O-N 3.06Å; T517-E519 VanDerWaalsContact C-N 3.31Å; T517-E519 PolarHBondContact O-N 3.35Å; T517-L520 PolarHBondContact O-N 2.85Å; T517-L521 HydrophobicContact CG2-CD1 4.11Å; T517-L521 WeakPolarHBondContact O-CG 3.05Å; T517-L521 PolarHBondContact O-N 2.78Å; T517-L536 HydrophobicContact CG2-CD1 3.95Å; T517-F538 HydrophobicContact CG2-CE1 4.24Å; T517-F538 HydrophobicContact CG2-CZ 4.24Å
518E94.4Very high92.2Very high83 Ų8359.9 Ų59.939%0.38832%0.321SS..Hα-helixtrans-65.9-33.2177.9-174.2171.8-171.600112.1D516 K522 V660 R664D516-E518 PolarHBondContact O-N 3.4Å; E518-K522 WeakPolarHBondContact O-CG 3.38Å; E518-V660 HydrophobicContact CB-CG1 4.29Å; E518-V660 HydrophobicContact CB-CG2 3.99Å; E518-V660 HydrophobicContact CG-CG1 4.43Å; E518-V660 HydrophobicContact CG-CG2 4.32Å; E518-R664 VanDerWaalsContact CD-NH2 3.26Å; E518-R664 IonicContact OE1-NH2 3.31Å; E518-R664 PolarHBondContact OE1-NH2 2.87Å; E518-R664 VanDerWaalsContact OE1-NH2 3.11Å; E518-R664 IonicContact OE2-CZ 3.39Å; E518-R664 IonicContact OE2-NE 2.58Å; E518-R664 IonicContact OE2-NH2 2.72Å; E518-R664 PolarHBondContact OE2-NH2 2.81Å
519E93.6Very high92Very high79 Ų7957.6 Ų57.637%0.36931%0.314SS..Hα-helixtrans-69.1-42.3175.5-167.6-168.9173.100111.4R512 D516 T517 L521 K522 F525R512-E519 IonicContact NH1-OE1 2.85Å; R512-E519 PolarHBondContact NH1-OE1 3.26Å; R512-E519 IonicContact NH1-OE2 3.72Å; R512-E519 PolarHBondContact NH1-OE2 2.96Å; D516-E519 WeakPolarHBondContact O-CA 3.38Å; D516-E519 WeakPolarHBondContact O-CB 3.46Å; D516-E519 PolarHBondContact O-N 3.43Å; T517-E519 VanDerWaalsContact C-N 3.31Å; T517-E519 PolarHBondContact O-N 3.35Å; E519-L521 PolarHBondContact O-N 2.86Å; E519-K522 WeakPolarHBondContact O-CB 3.06Å; E519-K522 PolarHBondContact O-N 2.68Å; E519-K522 VanDerWaalsContact O-N 3.1Å; E519-F525 WeakPolarHBondContact O-CB 3.5Å
520L92.9Very high91.7Very high3 Ų359.3 Ų59.32%0.01632%0.323CS..Hα-helixtrans-63.7-25.7178.3-68.5176.5000113.2V358 D516 T517 F525 L536V358-L520 HydrophobicContact CB-CD1 4.18Å; V358-L520 HydrophobicContact CG1-CD1 3.59Å; V358-L520 HydrophobicContact CG2-CD1 3.72Å; D516-L520 PolarHBondContact O-N 2.82Å; T517-L520 PolarHBondContact O-N 2.85Å; L520-F525 HydrophobicContact CB-CD1 4.4Å; L520-F525 HydrophobicContact CD2-CD1 3.75Å; L520-F525 HydrophobicContact CD2-CD2 4.3Å; L520-F525 HydrophobicContact CD2-CE1 3.25Å; L520-F525 HydrophobicContact CD2-CE2 3.86Å; L520-F525 HydrophobicContact CD2-CG 4.26Å; L520-F525 HydrophobicContact CD2-CZ 3.31Å; L520-F525 HydrophobicContact CG-CE1 4.47Å; L520-F525 WeakPolarHBondContact O-CD1 3.49Å; L520-L536 HydrophobicContact CB-CD2 3.94Å; L520-L536 HydrophobicContact CD1-CD2 4.26Å
521L92.5Very high91.4Very high44 Ų4457.7 Ų57.723%0.2331%0.307CS..THydrogen-bonded Turntrans-84.4-12.3177.5-68.9167.4000113.2T517 E519 L536 W558 A656 V660T517-L521 HydrophobicContact CG2-CD1 4.11Å; T517-L521 WeakPolarHBondContact O-CG 3.05Å; T517-L521 PolarHBondContact O-N 2.78Å; E519-L521 PolarHBondContact O-N 2.86Å; L521-L536 HydrophobicContact CD1-CD1 4.42Å; L521-L536 HydrophobicContact CD2-CD1 3.81Å; L521-L536 HydrophobicContact CD2-CG 4.28Å; L521-L536 HydrophobicContact CG-CD1 4.02Å; L521-W558 HydrophobicContact CD2-CE3 4.45Å; L521-W558 HydrophobicContact CD2-CH2 3.94Å; L521-W558 HydrophobicContact CD2-CZ3 3.58Å; L521-A656 HydrophobicContact CD1-CB 4.13Å; L521-V660 HydrophobicContact CD1-CG2 4.04Å
522K92.3Very high91Very high110 Ų11059.4 Ų59.448%0.47832%0.322SS..SBendtrans-71.5138.9-179.2-74.3172.4-172.8177.40110.8E518 E519 A524 F525 L526E518-K522 WeakPolarHBondContact O-CG 3.38Å; E519-K522 WeakPolarHBondContact O-CB 3.06Å; E519-K522 PolarHBondContact O-N 2.68Å; E519-K522 VanDerWaalsContact O-N 3.1Å; K522-A524 PolarHBondContact O-N 3.35Å; K522-A524 VanDerWaalsContact O-N 3.11Å; K522-F525 PolarHBondContact O-N 3.2Å; K522-L526 PolarHBondContact O-N 3.48Å
523P89.3Confident90.8Very high85 Ų8556.8 Ų56.855%0.55232%0.315SS*.Hα-helixtrans-53.1-35.6175.4-28.134.8000113.8F525 L526 Q527P523-F525 VanDerWaalsContact C-N 3.32Å; P523-F525 PolarHBondContact O-N 2.98Å; P523-L526 PolarHBondContact O-N 3.44Å; P523-Q527 WeakPolarHBondContact O-CB 3.29Å; P523-Q527 WeakPolarHBondContact O-CG 3.27Å; P523-Q527 PolarHBondContact O-N 3.23Å
524A90.4Very high90.6Very high73 Ų7355.8 Ų55.860%0.60330%0.304SS*.Hα-helixtrans-60.2-38.9178.100000113K522 S528K522-A524 PolarHBondContact O-N 3.35Å; K522-A524 VanDerWaalsContact O-N 3.11Å; A524-S528 PolarHBondContact O-N 3.37Å
525F89.7Confident90.5Very high24 Ų2455.6 Ų55.611%0.10531%0.306CS..Hα-helixtrans-71.5-47.3175.7177.2-96.9000110.7Y360 E519 L520 K522 P523 Q527 S528 L529Y360-F525 HydrophobicContact CD1-CE1 4.07Å; Y360-F525 AromaticContact CD1-CZ 3.94Å; Y360-F525 HydrophobicContact CD1-CZ 3.94Å; Y360-F525 HydrophobicContact CE1-CZ 4.46Å; E519-F525 WeakPolarHBondContact O-CB 3.5Å; L520-F525 HydrophobicContact CB-CD1 4.4Å; L520-F525 HydrophobicContact CD2-CD1 3.75Å; L520-F525 HydrophobicContact CD2-CD2 4.3Å; L520-F525 HydrophobicContact CD2-CE1 3.25Å; L520-F525 HydrophobicContact CD2-CE2 3.86Å; L520-F525 HydrophobicContact CD2-CG 4.26Å; L520-F525 HydrophobicContact CD2-CZ 3.31Å; L520-F525 HydrophobicContact CG-CE1 4.47Å; L520-F525 WeakPolarHBondContact O-CD1 3.49Å; K522-F525 PolarHBondContact O-N 3.2Å; P523-F525 VanDerWaalsContact C-N 3.32Å; P523-F525 PolarHBondContact O-N 2.98Å; F525-Q527 VanDerWaalsContact C-N 3.28Å; F525-Q527 PolarHBondContact O-N 3.25Å; F525-S528 WeakPolarHBondContact O-CB 3.27Å; F525-S528 PolarHBondContact O-N 3.17Å; F525-S528 PolarHBondContact O-OG 3.04Å; F525-L529 HydrophobicContact CE1-CD1 3.87Å; F525-L529 HydrophobicContact CE1-CD2 4.34Å; F525-L529 HydrophobicContact CE1-CG 4.24Å; F525-L529 HydrophobicContact CZ-CD1 4.35Å; F525-L529 HydrophobicContact CZ-CD2 4.01Å; F525-L529 HydrophobicContact CZ-CG 4.37Å; F525-L529 PolarHBondContact O-N 3.5Å
526L85.7Confident90.7Very high70 Ų7050.2 Ų50.237%0.36628%0.281SS..Hα-helixtrans-59.6-38.9-179.9-61.5176.2000112.1K522 P523 S528 L529K522-L526 PolarHBondContact O-N 3.48Å; P523-L526 PolarHBondContact O-N 3.44Å; L526-S528 VanDerWaalsContact C-N 3.3Å; L526-S528 PolarHBondContact O-N 3.22Å; L526-L529 PolarHBondContact O-N 2.82Å
527Q85.2Confident90.9Very high147 Ų14749.2 Ų49.269%0.68728%0.276SS*.Hα-helixtrans-71.3-23.1175.4-71.1170.211.400113.4P523 F525 L529P523-Q527 WeakPolarHBondContact O-CB 3.29Å; P523-Q527 WeakPolarHBondContact O-CG 3.27Å; P523-Q527 PolarHBondContact O-N 3.23Å; F525-Q527 VanDerWaalsContact C-N 3.28Å; F525-Q527 PolarHBondContact O-N 3.25Å; Q527-L529 VanDerWaalsContact C-N 3.27Å; Q527-L529 PolarHBondContact O-N 3.48Å
528S87.9Confident91Very high84 Ų8449.1 Ų49.159%0.58728%0.276SS*.Hα-helixtrans-75.5-16.3176.7780000113.4A524 F525 L526A524-S528 PolarHBondContact O-N 3.37Å; F525-S528 WeakPolarHBondContact O-CB 3.27Å; F525-S528 PolarHBondContact O-N 3.17Å; F525-S528 PolarHBondContact O-OG 3.04Å; L526-S528 VanDerWaalsContact C-N 3.3Å; L526-S528 PolarHBondContact O-N 3.22Å
529L88.1Confident91.1Very high22 Ų2246 Ų4612%0.11526%0.261CS..  trans-76.7142.4177.1-62.7176.2000110.5Y360 H438 F525 L526 Q527 H531 T533Y360-L529 HydrophobicContact CD1-CD1 4.06Å; Y360-L529 HydrophobicContact CD1-CD2 4.21Å; Y360-L529 HydrophobicContact CD2-CD1 4.29Å; Y360-L529 HydrophobicContact CE1-CD1 4.46Å; Y360-L529 HydrophobicContact CE1-CD2 3.9Å; Y360-L529 HydrophobicContact CG-CD1 3.96Å; H438-L529 PolarHBondContact NE2-O 3.21Å; F525-L529 HydrophobicContact CE1-CD1 3.87Å; F525-L529 HydrophobicContact CE1-CD2 4.34Å; F525-L529 HydrophobicContact CE1-CG 4.24Å; F525-L529 HydrophobicContact CZ-CD1 4.35Å; F525-L529 HydrophobicContact CZ-CD2 4.01Å; F525-L529 HydrophobicContact CZ-CG 4.37Å; F525-L529 PolarHBondContact O-N 3.5Å; L526-L529 PolarHBondContact O-N 2.82Å; Q527-L529 VanDerWaalsContact C-N 3.27Å; Q527-L529 PolarHBondContact O-N 3.48Å; L529-H531 VanDerWaalsContact C-N 3.27Å; L529-H531 PolarHBondContact O-N 2.78Å; L529-T533 HydrophobicContact CD1-CG2 3.4Å
530D88.3Confident91.2Very high42 Ų4242.5 Ų42.523%0.22525%0.245CC..SBendtrans-87.47.6177.362.42.5000112.8C435 H436 R454C435-D530 CarbonylContact C-O 3.53Å; C435-D530 WeakPolarHBondContact CA-O 3.44Å; C435-D530 HydrophobicContact CB-CB 4.22Å; C435-D530 WeakPolarHBondContact CB-OD2 3.46Å; C435-D530 VanDerWaalsContact SG-CG 3.53Å; C435-D530 PolarHBondContact SG-OD1 3.13Å; C435-D530 PolarHBondContact SG-OD2 2.91Å; H436-D530 PolarHBondContact N-O 2.74Å; R454-D530 IonicContact CZ-OD2 3.72Å; R454-D530 VanDerWaalsContact CZ-OD2 3.26Å; R454-D530 IonicContact NH1-OD1 2.7Å; R454-D530 PolarHBondContact NH1-OD1 2.82Å; R454-D530 IonicContact NH1-OD2 2.92Å; R454-D530 PolarHBondContact NH1-OD2 2.89Å; R454-D530 IonicContact NH2-OD2 3.34Å; R454-D530 PolarHBondContact NH2-OD2 3.35Å
531H87.3Confident91.3Very high16 Ų1643.2 Ų43.27%0.07425%0.251CS..SBendtrans-147.1160.5-178.956.4-81000110.3Y360 V433 L529Y360-H531 AromaticContact CD2-NE2 3.81Å; Y360-H531 AromaticContact CE2-CE1 3.76Å; Y360-H531 AromaticContact CE2-NE2 3.06Å; Y360-H531 WeakPolarHBondContact CE2-NE2 3.45Å; Y360-H531 AromaticContact CZ-CE1 3.87Å; Y360-H531 AromaticContact CZ-NE2 3.65Å; V433-H531 HydrophobicContact CB-CB 4.25Å; V433-H531 HydrophobicContact CG2-CB 4.34Å; L529-H531 VanDerWaalsContact C-N 3.27Å; L529-H531 PolarHBondContact O-N 2.78Å
532S87.3Confident91.4Very high61 Ų6141.4 Ų41.443%0.42724%0.242SC..  trans-67.9148.5179.2420000112.1D363D363-S532 WeakPolarHBondContact CB-OG 3.35Å; D363-S532 PolarHBondContact N-O 3.07Å; D363-S532 PolarHBondContact OD2-OG 2.86Å
533T90.9Very high91.3Very high30 Ų3040.7 Ų40.718%0.18425%0.249CC..EExtended strand (participates in β ladder)trans-136.2145.9174.561.40000110Y360 K361 L529Y360-T533 HydrophobicContact CD2-CG2 3.72Å; Y360-T533 HydrophobicContact CG-CG2 4.1Å; K361-T533 WeakPolarHBondContact O-CA 3.5Å; K361-T533 WeakPolarHBondContact O-CB 3.19Å; L529-T533 HydrophobicContact CD1-CG2 3.4Å
534D90.5Very high91.3Very high21 Ų2142.8 Ų42.811%0.11225%0.251CS..EExtended strand (participates in β ladder)trans-127.119.5-174.972.4-27.7000112.9K361 K559 M563K361-D534 WeakPolarHBondContact CB-OD1 3.34Å; K361-D534 WeakPolarHBondContact CD-OD1 3.47Å; K361-D534 WeakPolarHBondContact CE-OD1 3.33Å; K361-D534 WeakPolarHBondContact CG-OD1 3.16Å; K361-D534 IonicContact NZ-OD1 3.99Å; K361-D534 PolarHBondContact NZ-OD1 3.27Å; K361-D534 IonicContact NZ-OD2 3.14Å; K361-D534 PolarHBondContact NZ-OD2 2.76Å; K361-D534 PolarHBondContact O-N 2.94Å; K361-D534 VanDerWaalsContact O-N 3.09Å; D534-K559 WeakPolarHBondContact O-CB 3.28Å; D534-K559 VanDerWaalsContact O-CG 3.28Å; D534-K559 WeakPolarHBondContact O-CG 3.49Å; D534-K559 WeakPolarHBondContact OD2-CE 2.95Å; D534-K559 IonicContact OD2-NZ 3.15Å; D534-K559 PolarHBondContact OD2-NZ 2.6Å; D534-M563 HydrophobicContact CB-SD 4.27Å
535G93.8Very high91.3Very high11 Ų1141 Ų4111%0.11323%0.231CC..EExtended strand (participates in β ladder)trans153-153.317800000114.6K361 W558K361-G535 VanDerWaalsContact CB-C 3.48Å; K361-G535 WeakPolarHBondContact CB-O 3.2Å; K361-G535 PolarHBondContact N-O 3.45Å; G535-W558 CarbonylContact C-O 3.52Å; G535-W558 WeakPolarHBondContact CA-O 3.36Å
536L96.2Very high91.6Very high4 Ų441.5 Ų41.52%0.02123%0.234CC..EExtended strand (participates in β ladder)trans-126.9153.4179.9-61.9179.7000111V358 T359 T517 L520 L521 F538 K557 W558V358-L536 HydrophobicContact CG2-CB 4.38Å; V358-L536 HydrophobicContact CG2-CD1 4.33Å; V358-L536 HydrophobicContact CG2-CD2 4.48Å; T359-L536 WeakPolarHBondContact O-CA 3.1Å; T517-L536 HydrophobicContact CG2-CD1 3.95Å; L520-L536 HydrophobicContact CB-CD2 3.94Å; L520-L536 HydrophobicContact CD1-CD2 4.26Å; L521-L536 HydrophobicContact CD1-CD1 4.42Å; L521-L536 HydrophobicContact CD2-CD1 3.81Å; L521-L536 HydrophobicContact CD2-CG 4.28Å; L521-L536 HydrophobicContact CG-CD1 4.02Å; L536-F538 HydrophobicContact CB-CE2 4.02Å; L536-F538 HydrophobicContact CB-CZ 4.3Å; L536-F538 HydrophobicContact CD1-CE2 4.48Å; L536-F538 HydrophobicContact CD1-CZ 4.01Å; L536-K557 WeakPolarHBondContact O-CA 3.15Å; L536-W558 HydrophobicContact CB-CE3 4.38Å; L536-W558 HydrophobicContact CD1-CE3 4.38Å; L536-W558 HydrophobicContact CG-CE3 4.17Å; L536-W558 PolarHBondContact N-O 3.17Å; L536-W558 PolarHBondContact O-N 3.4Å
537V97.1Very high92.1Very high23 Ų2338.3 Ų38.314%0.13922%0.217CC..EExtended strand (participates in β ladder)trans-122126.4169.5-179.60000108.2V358 T359 K361 T555 L556V358-V537 WeakPolarHBondContact CA-O 3.45Å; T359-V537 HydrophobicContact CG2-CB 3.98Å; T359-V537 PolarHBondContact N-O 2.94Å; T359-V537 PolarHBondContact O-N 2.58Å; K361-V537 HydrophobicContact CB-CG2 3.95Å; K361-V537 HydrophobicContact CG-CG2 3.98Å; V537-T555 HydrophobicContact CG1-CG2 4.23Å; V537-L556 WeakPolarHBondContact CA-O 3.24Å
538F97.6Very high92.6Very high0 Ų031.5 Ų31.50%019%0.186CC..EExtended strand (participates in β ladder)trans-102.7113.4174.2-58.3-91.4000108I343 L351 Y356 C357 V358 L514 T517 L536 L556 W558 L659I343-F538 HydrophobicContact CD1-CD2 3.62Å; I343-F538 HydrophobicContact CD1-CE2 3.56Å; I343-F538 HydrophobicContact CD1-CZ 4.49Å; L351-F538 HydrophobicContact CD1-CD1 4.2Å; L351-F538 HydrophobicContact CD1-CE1 3.97Å; L351-F538 HydrophobicContact CD1-CE2 4.39Å; L351-F538 HydrophobicContact CD1-CG 4.5Å; L351-F538 HydrophobicContact CD1-CZ 4.07Å; L351-F538 HydrophobicContact CD2-CB 3.88Å; L351-F538 HydrophobicContact CD2-CD1 3.56Å; L351-F538 HydrophobicContact CD2-CD2 4.42Å; L351-F538 HydrophobicContact CD2-CE1 4.16Å; L351-F538 HydrophobicContact CD2-CG 3.7Å; Y356-F538 HydrophobicContact CD1-CB 3.61Å; Y356-F538 HydrophobicContact CE1-CB 4.02Å; Y356-F538 HydrophobicContact CG-CB 4.4Å; C357-F538 WeakPolarHBondContact O-CA 3.35Å; V358-F538 HydrophobicContact CB-CD1 4.05Å; V358-F538 HydrophobicContact CB-CE1 4.18Å; V358-F538 HydrophobicContact CG2-CD1 3.87Å; V358-F538 HydrophobicContact CG2-CE1 3.7Å; V358-F538 HydrophobicContact CG2-CZ 4.25Å; L514-F538 HydrophobicContact CD1-CD1 3.69Å; L514-F538 HydrophobicContact CD1-CE1 3.86Å; T517-F538 HydrophobicContact CG2-CE1 4.24Å; T517-F538 HydrophobicContact CG2-CZ 4.24Å; L536-F538 HydrophobicContact CB-CE2 4.02Å; L536-F538 HydrophobicContact CB-CZ 4.3Å; L536-F538 HydrophobicContact CD1-CE2 4.48Å; L536-F538 HydrophobicContact CD1-CZ 4.01Å; F538-L556 HydrophobicContact CB-CB 4.22Å; F538-L556 HydrophobicContact CD2-CB 4.48Å; F538-L556 PolarHBondContact N-O 3.46Å; F538-L556 PolarHBondContact O-N 3.49Å; F538-W558 HydrophobicContact CE2-CB 4Å; F538-L659 HydrophobicContact CE2-CD1 4.42Å; F538-L659 HydrophobicContact CE2-CD2 4.33Å; F538-L659 HydrophobicContact CZ-CD1 4.18Å; F538-L659 HydrophobicContact CZ-CD2 4.21Å
539Q96.9Very high92.8Very high17 Ų1728 Ų288%0.07916%0.16CC..EExtended strand (participates in β ladder)trans-102.2120.6-177.4173.659.547.500109.2Y356 C357 F473 F511Y356-Q539 WeakPolarHBondContact CA-O 3.45Å; Y356-Q539 VanDerWaalsContact CD1-C 3.49Å; C357-Q539 PolarHBondContact N-O 3.03Å; C357-Q539 PolarHBondContact O-N 2.81Å; C357-Q539 PolarHBondContact SG-O 3.36Å; C357-Q539 VanDerWaalsContact SG-O 3.38Å; F473-Q539 HydrophobicContact CD1-CG 4.15Å; F473-Q539 HydrophobicContact CD2-CG 3.6Å; F473-Q539 HydrophobicContact CE1-CG 4.02Å; F473-Q539 HydrophobicContact CE2-CG 3.46Å; F473-Q539 VanDerWaalsContact CE2-CG 3.46Å; F473-Q539 HydrophobicContact CG-CG 3.96Å; F473-Q539 HydrophobicContact CZ-CG 3.67Å; F511-Q539 HydrophobicContact CD1-CB 4.13Å; F511-Q539 HydrophobicContact CE1-CB 3.5Å; F511-Q539 VanDerWaalsContact CE1-CB 3.5Å; F511-Q539 HydrophobicContact CE1-CG 4.06Å; F511-Q539 HydrophobicContact CZ-CB 4.29Å; F511-Q539 HydrophobicContact CZ-CG 4.47Å
540P95.9Very high92.9Very high6 Ų628 Ų284%0.03917%0.165CC..EExtended strand (participates in β ladder)trans-63.3137.1175.930.3-39.2000109.7D355 Y356 D545 Q554D355-P540 WeakPolarHBondContact O-CA 3.36Å; Y356-P540 HydrophobicContact CD1-CB 4.38Å; Y356-P540 HydrophobicContact CE1-CB 4.05Å; P540-D545 HydrophobicContact CB-CB 4.11Å; P540-D545 HydrophobicContact CG-CB 4.48Å; P540-Q554 HydrophobicContact CB-CB 4.25Å; P540-Q554 HydrophobicContact CG-CB 3.9Å
541C95.1Very high92.9Very high18 Ų1830.2 Ų30.212%0.12218%0.18CC..  trans-140.118.2-168.671.90000114.9D355 F473 F474 D545D355-C541 PolarHBondContact O-N 3.3Å; F473-C541 HydrophobicContact CB-CB 4.27Å; F473-C541 HydrophobicContact CD1-CB 3.85Å; F473-C541 HydrophobicContact CG-CB 4.43Å; F474-C541 HydrophobicContact CD2-CB 4.09Å; F474-C541 HydrophobicContact CE2-CB 3.55Å; F474-C541 HydrophobicContact CZ-CB 3.99Å; C541-D545 PolarHBondContact N-OD2 3.43Å
542G93.1Very high93.1Very high6 Ų629.6 Ų29.66%0.06218%0.178CC..SBendtrans-70.1175.1169.900000113E544 D545G542-E544 VanDerWaalsContact C-N 3.3Å; G542-E544 PolarHBondContact O-N 2.66Å; G542-D545 VanDerWaalsContact CA-OD2 3.27Å; G542-D545 WeakPolarHBondContact CA-OD2 3.37Å; G542-D545 PolarHBondContact N-OD2 2.87Å; G542-D545 PolarHBondContact O-N 3.12Å
543P90.8Very high93.2Very high94 Ų9429 Ų2961%0.6117%0.173SC*.THydrogen-bonded Turntrans-65.4-29.1-175.624.7-33.5000114
544E89.2Confident93.2Very high129 Ų12929.9 Ų29.960%0.60318%0.175SC*.THydrogen-bonded Turntrans-99.310-179.4-57-59139.100113G542 F546G542-E544 VanDerWaalsContact C-N 3.3Å; G542-E544 PolarHBondContact O-N 2.66Å; E544-F546 HydrophobicContact CB-CE2 4.41Å; E544-F546 HydrophobicContact CB-CZ 4.5Å; E544-F546 VanDerWaalsContact O-CD2 3.29Å; E544-F546 WeakPolarHBondContact O-CD2 3.17Å; E544-F546 WeakPolarHBondContact O-CE2 3.49Å; E544-F546 PolarHBondContact O-N 2.83Å; E544-F546 VanDerWaalsContact O-N 3.15Å; E544-F546 WeakPolarHBondContact OE2-CZ 3.28Å
545D91.4Very high93.4Very high35 Ų3529.2 Ų29.219%0.18717%0.172CC..  trans-88.282.2-178.4-69.9-45.5000111.5F473 R476 P540 C541 G542F473-D545 PolarHBondContact N-O 2.87Å; R476-D545 PolarHBondContact NH1-O 3.11Å; P540-D545 HydrophobicContact CB-CB 4.11Å; P540-D545 HydrophobicContact CG-CB 4.48Å; C541-D545 PolarHBondContact N-OD2 3.43Å; G542-D545 VanDerWaalsContact CA-OD2 3.27Å; G542-D545 WeakPolarHBondContact CA-OD2 3.37Å; G542-D545 PolarHBondContact N-OD2 2.87Å; G542-D545 PolarHBondContact O-N 3.12Å
546F95.1Very high93.5Very high35 Ų3528.8 Ų28.815%0.15417%0.166CC..  trans-80.6172.1178.4-49.7-56.5000113.1Y293 L300 R470 E544 V548Y293-F546 HydrophobicContact CD1-CD2 4.41Å; Y293-F546 HydrophobicContact CD2-CB 3.59Å; Y293-F546 HydrophobicContact CD2-CD2 4.09Å; Y293-F546 AromaticContact CD2-CG 3.98Å; Y293-F546 HydrophobicContact CD2-CG 3.98Å; Y293-F546 HydrophobicContact CE1-CD2 4.13Å; Y293-F546 HydrophobicContact CE2-CB 3.87Å; Y293-F546 HydrophobicContact CE2-CD1 4.41Å; Y293-F546 AromaticContact CE2-CD2 3.8Å; Y293-F546 HydrophobicContact CE2-CD2 3.8Å; Y293-F546 AromaticContact CE2-CG 3.75Å; Y293-F546 HydrophobicContact CE2-CG 3.75Å; Y293-F546 HydrophobicContact CG-CB 4.25Å; Y293-F546 HydrophobicContact CG-CD2 4.4Å; Y293-F546 AromaticContact CZ-CD2 3.82Å; L300-F546 HydrophobicContact CD1-CD2 4.33Å; R470-F546 WeakPolarHBondContact O-CD1 3.26Å; R470-F546 VanDerWaalsContact O-CE1 3.26Å; R470-F546 WeakPolarHBondContact O-CE1 3.35Å; E544-F546 HydrophobicContact CB-CE2 4.41Å; E544-F546 HydrophobicContact CB-CZ 4.5Å; E544-F546 VanDerWaalsContact O-CD2 3.29Å; E544-F546 WeakPolarHBondContact O-CD2 3.17Å; E544-F546 WeakPolarHBondContact O-CE2 3.49Å; E544-F546 PolarHBondContact O-N 2.83Å; E544-F546 VanDerWaalsContact O-N 3.15Å; E544-F546 WeakPolarHBondContact OE2-CZ 3.28Å; F546-V548 PolarHBondContact O-N 3.44Å
547Y96.4Very high93.4Very high3 Ų331.3 Ų31.31%0.01218%0.177CC..  trans-76.5111.8172.7-168.7-80.4000110.7G292 Y293 G337 S338 D429 D459 I461 G469 L549G292-Y547 WeakPolarHBondContact CA-O 3.44Å; Y293-Y547 PolarHBondContact N-O 3.04Å; G337-Y547 WeakPolarHBondContact CA-OH 3.27Å; S338-Y547 PolarHBondContact N-OH 2.98Å; D429-Y547 HydrophobicContact CB-CE2 4.29Å; D429-Y547 PolarHBondContact OD2-OH 3.16Å; D459-Y547 HydrophobicContact CB-CD2 4.06Å; D459-Y547 HydrophobicContact CB-CE2 3.86Å; D459-Y547 WeakPolarHBondContact OD2-CD2 3.25Å; I461-Y547 HydrophobicContact CD1-CD1 4.31Å; I461-Y547 HydrophobicContact CD1-CE1 3.65Å; I461-Y547 HydrophobicContact CD1-CE2 4.35Å; I461-Y547 HydrophobicContact CG1-CD1 3.89Å; I461-Y547 HydrophobicContact CG1-CD2 4.09Å; I461-Y547 HydrophobicContact CG1-CE1 3.67Å; I461-Y547 HydrophobicContact CG1-CE2 3.88Å; I461-Y547 HydrophobicContact CG1-CG 4.1Å; G469-Y547 PolarHBondContact O-N 3.38Å; Y547-L549 HydrophobicContact CD1-CD2 4.02Å; Y547-L549 HydrophobicContact CE1-CD2 3.88Å
548V94.7Very high93.4Very high5 Ų530.9 Ų30.93%0.0317%0.173CC..BIsolated β-bridgetrans-92.1126.6178.5-178.50000110.7Y293 L300 S338 F546 C552Y293-V548 CarbonylContact O-C 3.53Å; Y293-V548 WeakPolarHBondContact O-CA 3.13Å; L300-V548 HydrophobicContact CD2-CG2 3.62Å; S338-V548 VanDerWaalsContact CA-O 3.26Å; S338-V548 WeakPolarHBondContact CA-O 3.47Å; S338-V548 WeakPolarHBondContact CB-O 3.33Å; S338-V548 PolarHBondContact OG-O 3.36Å; F546-V548 PolarHBondContact O-N 3.44Å; V548-C552 HydrophobicContact CB-CB 3.97Å; V548-C552 HydrophobicContact CG1-CB 4.22Å
549L93.1Very high93.1Very high9 Ų933.6 Ų33.65%0.04719%0.185CC..SBendtrans-77140.5173.9-55.7179.6000110.6C288 Y293 L294 A303 K336 Y547C288-L549 HydrophobicContact CB-CD1 4.23Å; C288-L549 HydrophobicContact CB-CD2 3.89Å; Y293-L549 PolarHBondContact O-N 3.32Å; L294-L549 HydrophobicContact CD2-CB 4.1Å; L294-L549 HydrophobicContact CD2-CD1 4.4Å; A303-L549 HydrophobicContact CB-CD1 3.71Å; K336-L549 CarbonylContact O-C 3.45Å; K336-L549 VanDerWaalsContact O-CA 3.22Å; K336-L549 WeakPolarHBondContact O-CA 3.22Å; K336-L549 WeakPolarHBondContact O-CB 3.37Å; Y547-L549 HydrophobicContact CD1-CD2 4.02Å; Y547-L549 HydrophobicContact CE1-CD2 3.88Å
550G89.5Confident92.9Very high22 Ų2234.2 Ų34.223%0.22719%0.191CC..SBendtrans70.7-147.1-177.300000112K336 S338 Q339 C552K336-G550 PolarHBondContact O-N 2.88Å; S338-G550 CarbonylContact C-O 3.55Å; S338-G550 VanDerWaalsContact CA-O 3.28Å; S338-G550 WeakPolarHBondContact CA-O 3.34Å; Q339-G550 PolarHBondContact N-O 3.28Å; G550-C552 PolarHBondContact O-N 2.83Å
551T88.5Confident92.5Very high89 Ų8936.4 Ų36.455%0.54621%0.205SC..EExtended strand (participates in β ladder)trans-68.3124.4-177.6-55.50000111.3V341 P553V341-T551 HydrophobicContact CG2-CG2 3.66Å; T551-P553 WeakPolarHBondContact O-CD 3.15Å
552C91.1Very high92Very high4 Ų440.9 Ų40.93%0.02724%0.237CC..EExtended strand (participates in β ladder)trans-106.4103.7174.1-177.80000109.1S338 Q339 V548 G550 Q554 T555S338-C552 WeakPolarHBondContact OG-CB 3.34Å; Q339-C552 PolarHBondContact O-N 3.09Å; V548-C552 HydrophobicContact CB-CB 3.97Å; V548-C552 HydrophobicContact CG1-CB 4.22Å; G550-C552 PolarHBondContact O-N 2.83Å; C552-Q554 PolarHBondContact O-N 3.05Å; C552-T555 PolarHBondContact O-N 2.7Å; C552-T555 VanDerWaalsContact O-N 3.16Å; C552-T555 PolarHBondContact SG-N 3.27Å; C552-T555 PolarHBondContact SG-OG1 3.07Å
553P89.1Confident91.7Very high49 Ų4944.9 Ų44.932%0.31826%0.255SS..EExtended strand (participates in β ladder)trans-59.6-25.6-179.8-27.738.5000114.3Y295 T551Y295-P553 HydrophobicContact CD1-CG 3.72Å; Y295-P553 HydrophobicContact CE1-CB 4.48Å; Y295-P553 HydrophobicContact CE1-CG 3.52Å; Y295-P553 HydrophobicContact CG-CG 4.29Å; T551-P553 WeakPolarHBondContact O-CD 3.15Å
554Q92.2Very high91.6Very high48 Ų4841.5 Ų41.522%0.22423%0.231CC..EExtended strand (participates in β ladder)trans-81.9-26.4179.3-57.887.1-2300112.7Y295 Y356 P540 C552 L556Y295-Q554 VanDerWaalsContact CE2-NE2 3.35Å; Y356-Q554 WeakPolarHBondContact CE1-O 3.25Å; Y356-Q554 PolarHBondContact OH-O 3.29Å; P540-Q554 HydrophobicContact CB-CB 4.25Å; P540-Q554 HydrophobicContact CG-CB 3.9Å; C552-Q554 PolarHBondContact O-N 3.05Å; Q554-L556 PolarHBondContact O-N 3.43Å
555T94.9Very high91.7Very high7 Ų737.2 Ų37.24%0.04321%0.214CC..EExtended strand (participates in β ladder)trans-82.4113.5176.5-54.20000109P340 V341 V537 C552P340-T555 CarbonylContact C-O 3.53Å; P340-T555 WeakPolarHBondContact CA-O 3.44Å; P340-T555 HydrophobicContact CB-CG2 3.83Å; P340-T555 WeakPolarHBondContact CB-O 3.42Å; V341-T555 PolarHBondContact N-O 2.71Å; V537-T555 HydrophobicContact CG1-CG2 4.23Å; C552-T555 PolarHBondContact O-N 2.7Å; C552-T555 VanDerWaalsContact O-N 3.16Å; C552-T555 PolarHBondContact SG-N 3.27Å; C552-T555 PolarHBondContact SG-OG1 3.07Å
556L95.4Very high91.8Very high1 Ų135.6 Ų35.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-102.6140.9-174-52176.5000111.4V341 I343 N347 A350 L351 Y356 V537 F538 Q554V341-L556 CarbonylContact O-C 3.58Å; V341-L556 WeakPolarHBondContact O-CA 3.05Å; I343-L556 HydrophobicContact CD1-CB 4.11Å; I343-L556 HydrophobicContact CD1-CD1 4.26Å; I343-L556 HydrophobicContact CG1-CB 3.68Å; I343-L556 HydrophobicContact CG1-CD1 4.15Å; I343-L556 HydrophobicContact CG1-CG 4.42Å; N347-L556 HydrophobicContact CB-CD2 4.46Å; A350-L556 HydrophobicContact CB-CD1 4.29Å; L351-L556 HydrophobicContact CD2-CD1 4.26Å; Y356-L556 HydrophobicContact CE1-CD1 4.4Å; Y356-L556 HydrophobicContact CE1-CG 4.34Å; V537-L556 WeakPolarHBondContact CA-O 3.24Å; F538-L556 HydrophobicContact CB-CB 4.22Å; F538-L556 HydrophobicContact CD2-CB 4.48Å; F538-L556 PolarHBondContact N-O 3.46Å; F538-L556 PolarHBondContact O-N 3.49Å; Q554-L556 PolarHBondContact O-N 3.43Å
557K95Very high91.8Very high58 Ų5834.2 Ų34.225%0.25220%0.2SC..EExtended strand (participates in β ladder)trans-117.1137.8168.669.6-173.4174.2-141.50110P340 V341 S342 I343 L536P340-K557 HydrophobicContact CB-CB 4.16Å; P340-K557 HydrophobicContact CB-CD 4.44Å; P340-K557 HydrophobicContact CB-CG 4.45Å; P340-K557 HydrophobicContact CG-CB 4.35Å; P340-K557 HydrophobicContact CG-CD 4.13Å; P340-K557 PolarHBondContact O-NZ 3.35Å; V341-K557 PolarHBondContact O-N 2.86Å; S342-K557 CarbonylContact C-O 3.55Å; S342-K557 WeakPolarHBondContact CA-O 3.35Å; S342-K557 WeakPolarHBondContact OG-CE 3.45Å; I343-K557 PolarHBondContact N-O 3Å; L536-K557 WeakPolarHBondContact O-CA 3.15Å
558W95.3Very high91.7Very high13 Ų1334.1 Ų34.15%0.04920%0.199CC..EExtended strand (participates in β ladder)trans-121.8142.1172.9177.987.3000109.6I343 L521 G535 L536 F538 P560 V654 A656 L659I343-W558 HydrophobicContact CB-CB 4.37Å; I343-W558 HydrophobicContact CD1-CB 4.03Å; I343-W558 HydrophobicContact CG1-CB 4.27Å; L521-W558 HydrophobicContact CD2-CE3 4.45Å; L521-W558 HydrophobicContact CD2-CH2 3.94Å; L521-W558 HydrophobicContact CD2-CZ3 3.58Å; G535-W558 CarbonylContact C-O 3.52Å; G535-W558 WeakPolarHBondContact CA-O 3.36Å; L536-W558 HydrophobicContact CB-CE3 4.38Å; L536-W558 HydrophobicContact CD1-CE3 4.38Å; L536-W558 HydrophobicContact CG-CE3 4.17Å; L536-W558 PolarHBondContact N-O 3.17Å; L536-W558 PolarHBondContact O-N 3.4Å; F538-W558 HydrophobicContact CE2-CB 4Å; W558-P560 HydrophobicContact CH2-CB 4.19Å; W558-P560 HydrophobicContact CH2-CG 3.88Å; W558-P560 HydrophobicContact CZ3-CG 3.9Å; W558-V654 PolarHBondContact NE1-O 2.74Å; W558-A656 HydrophobicContact CH2-CB 4.08Å; W558-A656 HydrophobicContact CZ2-CB 4.14Å; W558-L659 HydrophobicContact CB-CD1 4.24Å; W558-L659 HydrophobicContact CD2-CD1 3.44Å; W558-L659 VanDerWaalsContact CD2-CD1 3.44Å; W558-L659 VanDerWaalsContact CE2-CD1 3.5Å; W558-L659 HydrophobicContact CE3-CD1 4.03Å; W558-L659 HydrophobicContact CG-CD1 3.54Å; W558-L659 HydrophobicContact CG-CG 4.5Å; W558-L659 HydrophobicContact CZ2-CD1 4.12Å
559K92.7Very high91.8Very high57 Ų5738.1 Ų38.125%0.24821%0.214CC..  trans-126.2150.9167.2-56.2-163.7-179.2-162.20108.8D534 M563 N564D534-K559 WeakPolarHBondContact O-CB 3.28Å; D534-K559 VanDerWaalsContact O-CG 3.28Å; D534-K559 WeakPolarHBondContact O-CG 3.49Å; D534-K559 WeakPolarHBondContact OD2-CE 2.95Å; D534-K559 IonicContact OD2-NZ 3.15Å; D534-K559 PolarHBondContact OD2-NZ 2.6Å; K559-M563 HydrophobicContact CB-CB 4.5Å; K559-N564 WeakPolarHBondContact CB-OD1 3.24Å
560P91.4Very high91.8Very high31 Ų3137.7 Ų37.720%0.20121%0.212CC..  trans-50.7138.2168.4-25.534.5000110.2W558 S562 M563W558-P560 HydrophobicContact CH2-CB 4.19Å; W558-P560 HydrophobicContact CH2-CG 3.88Å; W558-P560 HydrophobicContact CZ3-CG 3.9Å; P560-S562 PolarHBondContact O-N 2.82Å; P560-M563 HydrophobicContact CB-CG 4.34Å; P560-M563 HydrophobicContact CB-SD 4.48Å; P560-M563 HydrophobicContact CG-CG 4.49Å; P560-M563 HydrophobicContact CG-SD 4Å; P560-M563 PolarHBondContact O-N 3.2Å
561P87.3Confident92Very high52 Ų5241.4 Ų41.434%0.33822%0.221SC..G310 helixtrans-54.8-31.8-177.6-30.238.2000113.6M563 N564 P653P561-M563 PolarHBondContact O-N 2.82Å; P561-N564 PolarHBondContact O-N 3.28Å; P561-P653 HydrophobicContact CB-CB 3.61Å; P561-P653 HydrophobicContact CB-CG 4.14Å; P561-P653 HydrophobicContact CG-CB 3.54Å; P561-P653 HydrophobicContact CG-CG 4.32Å
562S86.1Confident92.2Very high112 Ų11238 Ų3878%0.78320%0.2SC*.G310 helixtrans-65.6-17.5175.5540000114.8P560P560-S562 PolarHBondContact O-N 2.82Å
563M86.7Confident92Very high90 Ų9040.5 Ų40.544%0.44321%0.212SC..G310 helixtrans-104.8-1.9-179.9-64.7-176.2174.500113.1D534 K559 P560 P561 T565D534-M563 HydrophobicContact CB-SD 4.27Å; K559-M563 HydrophobicContact CB-CB 4.5Å; P560-M563 HydrophobicContact CB-CG 4.34Å; P560-M563 HydrophobicContact CB-SD 4.48Å; P560-M563 HydrophobicContact CG-CG 4.49Å; P560-M563 HydrophobicContact CG-SD 4Å; P560-M563 PolarHBondContact O-N 3.2Å; P561-M563 PolarHBondContact O-N 2.82Å; M563-T565 PolarHBondContact O-N 3.48Å
564N88Confident91.9Very high23 Ų2344.4 Ų44.412%0.12322%0.221CC..  trans-77.4118.4179.2-76.7-32.3000110.6K559 P561 S649 I650K559-N564 WeakPolarHBondContact CB-OD1 3.24Å; P561-N564 PolarHBondContact O-N 3.28Å; N564-S649 PolarHBondContact ND2-O 3.24Å; N564-I650 HydrophobicContact CB-CD1 4.38Å; N564-I650 HydrophobicContact CB-CG1 3.55Å
565T92.4Very high91.5Very high39 Ų3944.1 Ų44.124%0.23922%0.22CC..  trans-130.2160175.668.60000109.4M563 E616 C617 V618 L628M563-T565 PolarHBondContact O-N 3.48Å; T565-E616 WeakPolarHBondContact CB-OE1 3.28Å; T565-E616 HydrophobicContact CG2-CG 4.24Å; T565-E616 WeakPolarHBondContact CG2-OE1 3.32Å; T565-E616 PolarHBondContact OG1-OE1 2.82Å; T565-C617 WeakPolarHBondContact CA-O 3.36Å; T565-V618 HydrophobicContact CG2-CG1 3.79Å; T565-L628 HydrophobicContact CG2-CD2 4.09Å
566I93.2Very high90.8Very high0 Ų054 Ų540%026%0.256CS..EExtended strand (participates in β ladder)trans-140.7140.8176-173170000110.4F568 L590 C617 W625 N638 G643 I646 I647 I650I566-F568 HydrophobicContact CB-CE2 4.39Å; I566-F568 HydrophobicContact CD1-CE1 4.07Å; I566-F568 HydrophobicContact CD1-CE2 4.49Å; I566-F568 HydrophobicContact CD1-CZ 3.9Å; I566-F568 HydrophobicContact CG1-CE2 4.45Å; I566-F568 HydrophobicContact CG1-CZ 4.31Å; I566-F568 HydrophobicContact CG2-CD2 3.85Å; I566-F568 HydrophobicContact CG2-CE2 3.2Å; I566-F568 HydrophobicContact CG2-CZ 3.64Å; I566-L590 HydrophobicContact CD1-CD2 3.73Å; I566-L590 HydrophobicContact CG1-CD2 4.4Å; I566-C617 HydrophobicContact CG2-CB 4.44Å; I566-C617 PolarHBondContact N-O 2.98Å; I566-C617 PolarHBondContact O-N 3.17Å; I566-W625 HydrophobicContact CG2-CE3 4.47Å; I566-W625 HydrophobicContact CG2-CH2 3.8Å; I566-W625 HydrophobicContact CG2-CZ3 3.48Å; I566-W625 VanDerWaalsContact CG2-CZ3 3.48Å; I566-N638 HydrophobicContact CG1-CB 4.3Å; I566-G643 WeakPolarHBondContact CD1-O 3.35Å; I566-I646 HydrophobicContact CB-CG2 3.78Å; I566-I646 HydrophobicContact CD1-CB 4.02Å; I566-I646 HydrophobicContact CD1-CG2 4.02Å; I566-I646 HydrophobicContact CG1-CB 4.48Å; I566-I646 HydrophobicContact CG1-CG2 4.09Å; I566-I647 HydrophobicContact CD1-CD1 4.18Å; I566-I647 HydrophobicContact CD1-CG1 3.62Å; I566-I650 HydrophobicContact CB-CD1 4.08Å; I566-I650 HydrophobicContact CG2-CD1 3.86Å
567D94.4Very high89.6Confident7 Ų758.8 Ų58.84%0.03728%0.277CS..EExtended strand (participates in β ladder)trans-95.8116.9179.3-53.3-59.5000110.2I614 V615 E616 R631 K634 P637 N638D567-I614 HydrophobicContact CB-CG2 4.03Å; D567-V615 CarbonylContact C-O 3.59Å; D567-V615 VanDerWaalsContact CA-O 3.31Å; D567-V615 WeakPolarHBondContact CA-O 3.34Å; D567-E616 WeakPolarHBondContact OD1-CA 3.24Å; D567-E616 WeakPolarHBondContact OD1-CB 3.3Å; D567-R631 WeakPolarHBondContact OD1-CG 3.44Å; D567-R631 IonicContact OD1-CZ 3.54Å; D567-R631 IonicContact OD1-NH1 3.75Å; D567-R631 PolarHBondContact OD1-NH1 2.94Å; D567-R631 IonicContact OD2-NH1 2.59Å; D567-R631 PolarHBondContact OD2-NH1 3.15Å; D567-K634 HydrophobicContact CB-CD 4.4Å; D567-K634 IonicContact OD2-NZ 3.73Å; D567-K634 PolarHBondContact OD2-NZ 3.01Å; D567-P637 WeakPolarHBondContact O-CB 3.35Å; D567-N638 WeakPolarHBondContact CB-OD1 3.35Å; D567-N638 PolarHBondContact N-OD1 3.21Å; D567-N638 PolarHBondContact O-N 3.35Å
568F95.2Very high88.4Confident0 Ų063.6 Ų63.60%031%0.311CS..EExtended strand (participates in β ladder)trans-111157176-67.4-72000111.1I566 L588 L590 A598 I614 V615 C617 W625 I647I566-F568 HydrophobicContact CB-CE2 4.39Å; I566-F568 HydrophobicContact CD1-CE1 4.07Å; I566-F568 HydrophobicContact CD1-CE2 4.49Å; I566-F568 HydrophobicContact CD1-CZ 3.9Å; I566-F568 HydrophobicContact CG1-CE2 4.45Å; I566-F568 HydrophobicContact CG1-CZ 4.31Å; I566-F568 HydrophobicContact CG2-CD2 3.85Å; I566-F568 HydrophobicContact CG2-CE2 3.2Å; I566-F568 HydrophobicContact CG2-CZ 3.64Å; F568-L588 HydrophobicContact CB-CB 3.9Å; F568-L588 HydrophobicContact CB-CD2 4.01Å; F568-L588 HydrophobicContact CB-CG 4.47Å; F568-L588 HydrophobicContact CD1-CB 4.02Å; F568-L588 HydrophobicContact CD2-CB 3.97Å; F568-L588 HydrophobicContact CD2-CD1 3.85Å; F568-L588 HydrophobicContact CD2-CD2 4.35Å; F568-L588 HydrophobicContact CD2-CG 4.28Å; F568-L588 HydrophobicContact CE1-CB 4.49Å; F568-L588 HydrophobicContact CE2-CB 4.42Å; F568-L588 HydrophobicContact CE2-CD1 4.03Å; F568-L588 HydrophobicContact CG-CB 3.74Å; F568-L588 HydrophobicContact CG-CD1 4.46Å; F568-L588 HydrophobicContact CG-CD2 4.43Å; F568-L588 HydrophobicContact CG-CG 4.43Å; F568-L590 HydrophobicContact CD1-CD2 3.63Å; F568-L590 HydrophobicContact CD1-CG 4.06Å; F568-L590 HydrophobicContact CE1-CD2 3.41Å; F568-L590 VanDerWaalsContact CE1-CD2 3.41Å; F568-L590 HydrophobicContact CE1-CG 3.75Å; F568-L590 HydrophobicContact CZ-CD2 4.47Å; F568-A598 HydrophobicContact CZ-CB 4.26Å; F568-I614 CarbonylContact O-C 3.59Å; F568-I614 VanDerWaalsContact O-CA 3.32Å; F568-I614 WeakPolarHBondContact O-CA 3.14Å; F568-V615 HydrophobicContact CB-CG2 4.36Å; F568-V615 PolarHBondContact N-O 3.45Å; F568-V615 PolarHBondContact O-N 2.84Å; F568-C617 HydrophobicContact CD2-CB 3.84Å; F568-C617 HydrophobicContact CE2-CB 4.11Å; F568-W625 HydrophobicContact CE2-CD2 4.41Å; F568-W625 HydrophobicContact CE2-CE3 4Å; F568-W625 HydrophobicContact CE2-CH2 4.19Å; F568-W625 AromaticContact CE2-CZ3 3.89Å; F568-W625 HydrophobicContact CE2-CZ3 3.89Å; F568-W625 HydrophobicContact CZ-CH2 4.3Å; F568-W625 HydrophobicContact CZ-CZ3 4.45Å; F568-I647 HydrophobicContact CE1-CD1 3.95Å; F568-I647 HydrophobicContact CZ-CD1 3.81Å; F568-I647 HydrophobicContact CZ-CG1 4.01Å
569R95.6Very high87Confident90 Ų9067.1 Ų67.134%0.3435%0.351SS..EExtended strand (participates in β ladder)trans-84.4120.4160-174.8-178.3-64.8-99.35.1107.7F589 I614 E636 P637R569-F589 HydrophobicContact CB-CB 4.34Å; R569-F589 PolarHBondContact N-O 3.1Å; R569-F589 PolarHBondContact O-N 3.46Å; R569-I614 HydrophobicContact CB-CD1 3.84Å; R569-I614 HydrophobicContact CG-CD1 4.12Å; R569-E636 IonicContact NH2-OE1 2.66Å; R569-E636 PolarHBondContact NH2-OE1 3.34Å; R569-E636 IonicContact NH2-OE2 3.92Å; R569-E636 PolarHBondContact NH2-OE2 2.77Å; R569-P637 HydrophobicContact CB-CB 4.36Å; R569-P637 HydrophobicContact CB-CG 4.05Å
570C94.7Very high86Confident0 Ų070 Ų700%037%0.365CS..EExtended strand (participates in β ladder)trans-89.7134.2178.5-168.90000110.3L587 L588 L610 G612 K613 V615C570-L587 CarbonylContact C-O 3.01Å; C570-L587 WeakPolarHBondContact CA-O 3.27Å; C570-L588 HydrophobicContact CB-CD2 4.18Å; C570-L610 HydrophobicContact CB-CB 4.49Å; C570-G612 WeakPolarHBondContact O-CA 3.22Å; C570-G612 PolarHBondContact O-N 2.9Å; C570-K613 PolarHBondContact N-O 2.91Å; C570-V615 HydrophobicContact CB-CG1 4.07Å; C570-V615 HydrophobicContact CB-CG2 3.72Å
571K93.6Very high84.8Confident99 Ų9976.3 Ų76.343%0.4340%0.396SS..EExtended strand (participates in β ladder)trans-121.9123.9168.1-171.3-174.8176.3-161.90108.6E573 G586 L587 F589 D611K571-E573 IonicContact NZ-OE2 3.97Å; K571-E573 PolarHBondContact NZ-OE2 3.45Å; K571-G586 CarbonylContact O-C 3.54Å; K571-L587 HydrophobicContact CB-CB 4.46Å; K571-L587 PolarHBondContact N-O 3.15Å; K571-L587 PolarHBondContact O-N 3.26Å; K571-F589 HydrophobicContact CB-CD2 4.31Å; K571-F589 HydrophobicContact CB-CE2 3.71Å; K571-F589 HydrophobicContact CD-CE2 4.31Å; K571-F589 HydrophobicContact CD-CZ 4.49Å; K571-D611 VanDerWaalsContact CA-OD1 3.3Å; K571-D611 WeakPolarHBondContact CA-OD1 3.45Å
572V91.1Very high84.4Confident17 Ų1776.5 Ų76.510%0.10340%0.397CS..EExtended strand (participates in β ladder)trans-105.9115.4-179-179.70000108.9Y584 V585 V603 K608 L610 D611V572-Y584 HydrophobicContact CG1-CD1 4.07Å; V572-V585 WeakPolarHBondContact CA-O 3.45Å; V572-V603 HydrophobicContact CG1-CG1 3.9Å; V572-K608 HydrophobicContact CG1-CG 4.42Å; V572-L610 HydrophobicContact CG2-CB 4.36Å; V572-D611 HydrophobicContact CB-CB 4.16Å; V572-D611 HydrophobicContact CG2-CB 4.42Å; V572-D611 PolarHBondContact N-OD1 3.16Å
573E88.9Confident84.2Confident57 Ų5772.4 Ų72.427%0.26637%0.373SS..EExtended strand (participates in β ladder)trans-127.9150.2-179.556.9-178.7-141.100111.7K571 Q575 Y584 V585 L587K571-E573 IonicContact NZ-OE2 3.97Å; K571-E573 PolarHBondContact NZ-OE2 3.45Å; E573-Q575 HydrophobicContact CG-CG 4.21Å; E573-Q575 PolarHBondContact OE1-NE2 3.16Å; E573-Y584 WeakPolarHBondContact O-CA 3.23Å; E573-V585 PolarHBondContact N-O 3.24Å; E573-V585 PolarHBondContact O-N 3.34Å; E573-L587 HydrophobicContact CG-CD1 4.15Å; E573-L587 HydrophobicContact CG-CG 4.43Å; E573-L587 WeakPolarHBondContact OE1-CD1 3.48Å
574Y86.7Confident84.2Confident132 Ų13271.4 Ų71.452%0.51836%0.364SS..EExtended strand (participates in β ladder)trans-91.2113.1175.3-173.2-100.8000108.8P582 Y584Y574-P582 HydrophobicContact CE1-CB 4.32Å; Y574-P582 WeakPolarHBondContact OH-CB 3.39Å; Y574-Y584 HydrophobicContact CD2-CD1 4.17Å; Y574-Y584 HydrophobicContact CD2-CD2 4.21Å; Y574-Y584 AromaticContact CD2-CE1 3.92Å; Y574-Y584 HydrophobicContact CD2-CE1 3.92Å; Y574-Y584 AromaticContact CD2-CE2 3.97Å; Y574-Y584 HydrophobicContact CD2-CE2 3.97Å; Y574-Y584 HydrophobicContact CD2-CG 4.29Å; Y574-Y584 AromaticContact CD2-CZ 3.8Å; Y574-Y584 HydrophobicContact CE2-CE2 4.42Å; Y574-Y584 HydrophobicContact CG-CE1 4.35Å
575Q82.3Confident84.2Confident42 Ų4271.9 Ų71.920%0.19637%0.368CS..EExtended strand (participates in β ladder)trans-103.9133.9179.9-64.6-171.63.300110.4E573 P582 G583 V585E573-Q575 HydrophobicContact CG-CG 4.21Å; E573-Q575 PolarHBondContact OE1-NE2 3.16Å; Q575-P582 WeakPolarHBondContact O-CA 3.48Å; Q575-G583 PolarHBondContact N-O 3.25Å; Q575-G583 PolarHBondContact O-N 3.44Å; Q575-V585 HydrophobicContact CB-CG2 4.17Å; Q575-V585 HydrophobicContact CG-CB 4.42Å; Q575-V585 HydrophobicContact CG-CG2 4.08Å
576R80.7Confident84.1Confident215 Ų21570 Ų7081%0.81136%0.357SS*.  trans-124.293.8170.3-177.6174-174.4-176.81.3108.1P582R576-P582 HydrophobicContact CB-CB 4.11Å; R576-P582 HydrophobicContact CG-CB 4.09Å
577K70.9Confident84Confident100 Ų10070.6 Ų70.644%0.43536%0.36SS..  trans-94144.1172.9-68.5-175.2179-174.80110G579 E580K577-G579 PolarHBondContact O-N 2.74Å; K577-E580 HydrophobicContact CB-CB 4.21Å; K577-E580 HydrophobicContact CB-CG 4.32Å; K577-E580 PolarHBondContact O-N 3.5Å
578V68.5Low84Confident160 Ų16070.2 Ų70.297%0.9736%0.358SS*.THydrogen-bonded Turntrans-64.2119.8177.2-178.70000108.3
579G67.1Low83.8Confident86 Ų8671.5 Ų71.589%0.88736%0.363SS*.THydrogen-bonded Turntrans95.3-10.3-178.700000115.8K577K577-G579 PolarHBondContact O-N 2.74Å
580E70.6Confident83.6Confident117 Ų11767.4 Ų67.455%0.54735%0.348SS..SBendtrans-106.2151.8176.1-66.7-179.6-173.100111.5K577 P582K577-E580 HydrophobicContact CB-CB 4.21Å; K577-E580 HydrophobicContact CB-CG 4.32Å; K577-E580 PolarHBondContact O-N 3.5Å; E580-P582 WeakPolarHBondContact O-CD 3.2Å
581I68.1Low83.1Confident165 Ų16567.8 Ų67.885%0.84635%0.352SS*.  trans-68.1120.5173.2-60173.8000107.6G583I581-G583 PolarHBondContact O-N 3.22Å
582P78.9Confident82.4Confident55 Ų5566 Ų6636%0.35736%0.362SS..  trans-66.7136.9-178.229.2-35.5000110.3Y574 Q575 R576 E580Y574-P582 HydrophobicContact CE1-CB 4.32Å; Y574-P582 WeakPolarHBondContact OH-CB 3.39Å; Q575-P582 WeakPolarHBondContact O-CA 3.48Å; R576-P582 HydrophobicContact CB-CB 4.11Å; R576-P582 HydrophobicContact CG-CB 4.09Å; E580-P582 WeakPolarHBondContact O-CD 3.2Å
583G82Confident81.9Confident27 Ų2766.4 Ų66.428%0.27836%0.363SS..EExtended strand (participates in β ladder)trans-162.4170.3-171.900000112.7Q575 I581Q575-G583 PolarHBondContact N-O 3.25Å; Q575-G583 PolarHBondContact O-N 3.44Å; I581-G583 PolarHBondContact O-N 3.22Å
584Y86.4Confident81.5Confident68 Ų6868.1 Ų68.127%0.26738%0.378SS..EExtended strand (participates in β ladder)trans-77.6137.4169.2-69.6-78.3000109.5V572 E573 Y574 K608V572-Y584 HydrophobicContact CG1-CD1 4.07Å; E573-Y584 WeakPolarHBondContact O-CA 3.23Å; Y574-Y584 HydrophobicContact CD2-CD1 4.17Å; Y574-Y584 HydrophobicContact CD2-CD2 4.21Å; Y574-Y584 AromaticContact CD2-CE1 3.92Å; Y574-Y584 HydrophobicContact CD2-CE1 3.92Å; Y574-Y584 AromaticContact CD2-CE2 3.97Å; Y574-Y584 HydrophobicContact CD2-CE2 3.97Å; Y574-Y584 HydrophobicContact CD2-CG 4.29Å; Y574-Y584 AromaticContact CD2-CZ 3.8Å; Y574-Y584 HydrophobicContact CE2-CE2 4.42Å; Y574-Y584 HydrophobicContact CG-CE1 4.35Å; Y584-K608 HydrophobicContact CE1-CD 4.3Å; Y584-K608 HydrophobicContact CE1-CG 4.28Å; Y584-K608 WeakPolarHBondContact OH-CE 3.35Å; Y584-K608 PolarHBondContact OH-NZ 3.3Å
585V86.7Confident81.3Confident34 Ų3462.5 Ų62.521%0.20636%0.357CS..EExtended strand (participates in β ladder)trans-122.8132.1174.7-176.10000107.8V572 E573 Q575 L587 K599V572-V585 WeakPolarHBondContact CA-O 3.45Å; E573-V585 PolarHBondContact N-O 3.24Å; E573-V585 PolarHBondContact O-N 3.34Å; Q575-V585 HydrophobicContact CB-CG2 4.17Å; Q575-V585 HydrophobicContact CG-CB 4.42Å; Q575-V585 HydrophobicContact CG-CG2 4.08Å; V585-L587 HydrophobicContact CG1-CD2 3.82Å; V585-L587 HydrophobicContact CG1-CG 4.41Å; V585-K599 HydrophobicContact CG1-CD 4.35Å
586G90.1Very high81.5Confident0 Ų063.1 Ų63.10%037%0.365CS..EExtended strand (participates in β ladder)trans-100.999.6176.200000109.5K571 K599 L600 V603K571-G586 CarbonylContact O-C 3.54Å; G586-K599 CarbonylContact O-C 3.52Å; G586-K599 WeakPolarHBondContact O-CA 3.3Å; G586-L600 PolarHBondContact O-N 3.37Å; G586-V603 VanDerWaalsContact N-CG2 3.35Å
587L92Very high81.8Confident11 Ų1154.8 Ų54.86%0.05834%0.34CS..EExtended strand (participates in β ladder)trans-81.3135.8176.8-62.2-175.6000109.8C570 K571 E573 V585 F589 P596 K599C570-L587 CarbonylContact C-O 3.01Å; C570-L587 WeakPolarHBondContact CA-O 3.27Å; K571-L587 HydrophobicContact CB-CB 4.46Å; K571-L587 PolarHBondContact N-O 3.15Å; K571-L587 PolarHBondContact O-N 3.26Å; E573-L587 HydrophobicContact CG-CD1 4.15Å; E573-L587 HydrophobicContact CG-CG 4.43Å; E573-L587 WeakPolarHBondContact OE1-CD1 3.48Å; V585-L587 HydrophobicContact CG1-CD2 3.82Å; V585-L587 HydrophobicContact CG1-CG 4.41Å; L587-F589 HydrophobicContact CB-CD2 4.4Å; L587-F589 HydrophobicContact CB-CE2 3.51Å; L587-F589 HydrophobicContact CB-CZ 4.04Å; L587-F589 HydrophobicContact CD1-CE2 4.43Å; L587-F589 HydrophobicContact CD1-CZ 4.22Å; L587-P596 HydrophobicContact CB-CB 4.06Å; L587-P596 HydrophobicContact CD1-CG 4.43Å; L587-P596 HydrophobicContact CD2-CB 4.25Å; L587-P596 HydrophobicContact CD2-CG 4.33Å; L587-K599 HydrophobicContact CD2-CD 4.1Å; L587-K599 HydrophobicContact CD2-CG 3.85Å
588L93.4Very high82.6Confident0 Ų050.8 Ų50.80%033%0.325CS..EExtended strand (participates in β ladder)trans-114.9123.3-176.4-61.4174.8000110F568 C570 P596 S597 A598 L600 V615 W625F568-L588 HydrophobicContact CB-CB 3.9Å; F568-L588 HydrophobicContact CB-CD2 4.01Å; F568-L588 HydrophobicContact CB-CG 4.47Å; F568-L588 HydrophobicContact CD1-CB 4.02Å; F568-L588 HydrophobicContact CD2-CB 3.97Å; F568-L588 HydrophobicContact CD2-CD1 3.85Å; F568-L588 HydrophobicContact CD2-CD2 4.35Å; F568-L588 HydrophobicContact CD2-CG 4.28Å; F568-L588 HydrophobicContact CE1-CB 4.49Å; F568-L588 HydrophobicContact CE2-CB 4.42Å; F568-L588 HydrophobicContact CE2-CD1 4.03Å; F568-L588 HydrophobicContact CG-CB 3.74Å; F568-L588 HydrophobicContact CG-CD1 4.46Å; F568-L588 HydrophobicContact CG-CD2 4.43Å; F568-L588 HydrophobicContact CG-CG 4.43Å; C570-L588 HydrophobicContact CB-CD2 4.18Å; L588-P596 CarbonylContact O-C 3.57Å; L588-P596 WeakPolarHBondContact O-CA 3.25Å; L588-S597 PolarHBondContact O-N 3.08Å; L588-A598 HydrophobicContact CB-CB 4.07Å; L588-A598 WeakPolarHBondContact CB-O 3.44Å; L588-A598 HydrophobicContact CD1-CB 3.97Å; L588-A598 PolarHBondContact N-O 3.11Å; L588-A598 PolarHBondContact O-N 2.91Å; L588-L600 HydrophobicContact CD1-CD2 3.93Å; L588-L600 HydrophobicContact CD1-CG 4.26Å; L588-L600 HydrophobicContact CD2-CD2 4.09Å; L588-L600 HydrophobicContact CD2-CG 4.05Å; L588-L600 HydrophobicContact CG-CD2 4.36Å; L588-L600 HydrophobicContact CG-CG 4.25Å; L588-V615 HydrophobicContact CD2-CG2 4Å; L588-W625 HydrophobicContact CD1-CB 3.92Å; L588-W625 HydrophobicContact CD1-CG 4.19Å
589F92.3Very high83.6Confident27 Ų2748.6 Ų48.612%0.11830%0.302CS..EExtended strand (participates in β ladder)trans-114.9132.8-174.6-63.7-101.2000111.5R569 K571 L587 T594 V595 P596R569-F589 HydrophobicContact CB-CB 4.34Å; R569-F589 PolarHBondContact N-O 3.1Å; R569-F589 PolarHBondContact O-N 3.46Å; K571-F589 HydrophobicContact CB-CD2 4.31Å; K571-F589 HydrophobicContact CB-CE2 3.71Å; K571-F589 HydrophobicContact CD-CE2 4.31Å; K571-F589 HydrophobicContact CD-CZ 4.49Å; L587-F589 HydrophobicContact CB-CD2 4.4Å; L587-F589 HydrophobicContact CB-CE2 3.51Å; L587-F589 HydrophobicContact CB-CZ 4.04Å; L587-F589 HydrophobicContact CD1-CE2 4.43Å; L587-F589 HydrophobicContact CD1-CZ 4.22Å; F589-T594 VanDerWaalsContact CE1-O 3.29Å; F589-T594 WeakPolarHBondContact CE1-O 3.45Å; F589-V595 VanDerWaalsContact CD1-C 3.42Å; F589-V595 VanDerWaalsContact CD1-O 3.32Å; F589-V595 WeakPolarHBondContact CD1-O 3.47Å; F589-P596 HydrophobicContact CD1-CB 4.48Å; F589-P596 HydrophobicContact CE1-CB 4.03Å; F589-P596 HydrophobicContact CE1-CG 4.44Å; F589-P596 HydrophobicContact CE2-CB 4.25Å; F589-P596 HydrophobicContact CZ-CB 3.9Å; F589-P596 HydrophobicContact CZ-CG 4.37Å
590L91Very high84.8Confident3 Ų345.4 Ų45.42%0.01627%0.265CS..  trans-80.2155.8164.5-66.5174000110.9I566 F568 L593 S597 N638 H640 V644 I647I566-L590 HydrophobicContact CD1-CD2 3.73Å; I566-L590 HydrophobicContact CG1-CD2 4.4Å; F568-L590 HydrophobicContact CD1-CD2 3.63Å; F568-L590 HydrophobicContact CD1-CG 4.06Å; F568-L590 HydrophobicContact CE1-CD2 3.41Å; F568-L590 VanDerWaalsContact CE1-CD2 3.41Å; F568-L590 HydrophobicContact CE1-CG 3.75Å; F568-L590 HydrophobicContact CZ-CD2 4.47Å; L590-L593 HydrophobicContact CB-CD1 4.29Å; L590-L593 PolarHBondContact O-N 3.3Å; L590-S597 WeakPolarHBondContact CG-OG 3.45Å; L590-S597 PolarHBondContact N-OG 2.92Å; L590-N638 HydrophobicContact CD2-CB 4.37Å; L590-H640 HydrophobicContact CB-CB 4.12Å; L590-H640 HydrophobicContact CD1-CB 4.37Å; L590-V644 HydrophobicContact CD1-CG2 4.26Å; L590-I647 HydrophobicContact CD1-CD1 3.9Å
591G84.6Confident85.6Confident8 Ų842.3 Ų42.38%0.08226%0.259CS..BIsolated β-bridgetrans-65.4135.6178.100000111.5L593 N638 Y639 H640G591-L593 VanDerWaalsContact C-N 3.31Å; G591-N638 PolarHBondContact N-O 3.15Å; G591-Y639 WeakPolarHBondContact O-CD2 3.5Å; G591-H640 PolarHBondContact O-N 3.48Å; G591-H640 PolarHBondContact O-ND1 3.46Å
592G78.8Confident86.3Confident62 Ų6241.6 Ų41.664%0.63925%0.252SS*.THydrogen-bonded Turntrans82.5-0.8-177.700000115
593L80.6Confident86.6Confident25 Ų2539.8 Ų39.813%0.13124%0.24CC..  trans-109.9139.7171.8-62.4178.8000110.4L590 G591 V595 H640L590-L593 HydrophobicContact CB-CD1 4.29Å; L590-L593 PolarHBondContact O-N 3.3Å; G591-L593 VanDerWaalsContact C-N 3.31Å; L593-V595 HydrophobicContact CB-CG2 4.49Å; L593-H640 HydrophobicContact CD1-CB 3.7Å; L593-H640 HydrophobicContact CD2-CB 4.23Å; L593-H640 HydrophobicContact CG-CB 3.67Å
594T80.9Confident86.7Confident94 Ų9440.2 Ų40.258%0.57724%0.239SC*.SBendtrans-94.8-6.2171.569.30000112.9D25 F589D25-T594 PolarHBondContact OD1-OG1 3.34Å; D25-T594 PolarHBondContact OD2-OG1 3.12Å; F589-T594 VanDerWaalsContact CE1-O 3.29Å; F589-T594 WeakPolarHBondContact CE1-O 3.45Å
595V81.1Confident86.4Confident14 Ų1440.9 Ų40.99%0.08525%0.254CS..SBendtrans-101.7146.9175.4-61.90000111.4M22 D25 F589 L593 S597M22-V595 HydrophobicContact CB-CG1 4.14Å; M22-V595 HydrophobicContact CG-CG1 3.62Å; D25-V595 HydrophobicContact CB-CG1 4.08Å; D25-V595 HydrophobicContact CB-CG2 4.18Å; F589-V595 VanDerWaalsContact CD1-C 3.42Å; F589-V595 VanDerWaalsContact CD1-O 3.32Å; F589-V595 WeakPolarHBondContact CD1-O 3.47Å; L593-V595 HydrophobicContact CB-CG2 4.49Å; V595-S597 PolarHBondContact O-N 2.88Å
596P86.6Confident86.3Confident55 Ų5549.7 Ų49.736%0.35728%0.283SS..  trans-67.6133.7178.527.6-34000111L587 L588 F589L587-P596 HydrophobicContact CB-CB 4.06Å; L587-P596 HydrophobicContact CD1-CG 4.43Å; L587-P596 HydrophobicContact CD2-CB 4.25Å; L587-P596 HydrophobicContact CD2-CG 4.33Å; L588-P596 CarbonylContact O-C 3.57Å; L588-P596 WeakPolarHBondContact O-CA 3.25Å; F589-P596 HydrophobicContact CD1-CB 4.48Å; F589-P596 HydrophobicContact CE1-CB 4.03Å; F589-P596 HydrophobicContact CE1-CG 4.44Å; F589-P596 HydrophobicContact CE2-CB 4.25Å; F589-P596 HydrophobicContact CZ-CB 3.9Å; F589-P596 HydrophobicContact CZ-CG 4.37Å
597S86.9Confident86.1Confident40 Ų4052 Ų5228%0.2830%0.295SS..SBendtrans-89.7-21.1177.1-470000112.8L588 L590 V595L588-S597 PolarHBondContact O-N 3.08Å; L590-S597 WeakPolarHBondContact CG-OG 3.45Å; L590-S597 PolarHBondContact N-OG 2.92Å; V595-S597 PolarHBondContact O-N 2.88Å
598A87.8Confident85.9Confident15 Ų1556.5 Ų56.512%0.12431%0.314CS..EExtended strand (participates in β ladder)trans-157174.3176.500000111.1F568 L588 W625F568-A598 HydrophobicContact CZ-CB 4.26Å; L588-A598 HydrophobicContact CB-CB 4.07Å; L588-A598 WeakPolarHBondContact CB-O 3.44Å; L588-A598 HydrophobicContact CD1-CB 3.97Å; L588-A598 PolarHBondContact N-O 3.11Å; L588-A598 PolarHBondContact O-N 2.91Å; A598-W625 HydrophobicContact CB-CD2 4.42Å; A598-W625 HydrophobicContact CB-CG 4.24Å
599K90.2Very high85.8Confident114 Ų11460.8 Ų60.850%0.49634%0.34SS..EExtended strand (participates in β ladder)trans-131.9141.6174.2-58.7-177.6-176.8165.70110.2V585 G586 L587V585-K599 HydrophobicContact CG1-CD 4.35Å; G586-K599 CarbonylContact O-C 3.52Å; G586-K599 WeakPolarHBondContact O-CA 3.3Å; L587-K599 HydrophobicContact CD2-CD 4.1Å; L587-K599 HydrophobicContact CD2-CG 3.85Å
600L91.1Very high85.7Confident20 Ų2060.3 Ų60.311%0.10534%0.339CS..BIsolated β-bridgetrans-65.4138.9172-70.3178.8000110.5G586 L588 H602 V603 W625 V627G586-L600 PolarHBondContact O-N 3.37Å; L588-L600 HydrophobicContact CD1-CD2 3.93Å; L588-L600 HydrophobicContact CD1-CG 4.26Å; L588-L600 HydrophobicContact CD2-CD2 4.09Å; L588-L600 HydrophobicContact CD2-CG 4.05Å; L588-L600 HydrophobicContact CG-CD2 4.36Å; L588-L600 HydrophobicContact CG-CG 4.25Å; L600-H602 VanDerWaalsContact C-N 3.32Å; L600-H602 PolarHBondContact O-N 3.19Å; L600-V603 HydrophobicContact CB-CG2 3.63Å; L600-V603 HydrophobicContact CD1-CG2 3.91Å; L600-V603 HydrophobicContact CG-CG2 4.4Å; L600-W625 HydrophobicContact CD2-CB 4.41Å; L600-V627 HydrophobicContact CD1-CG2 3.99Å; L600-V627 HydrophobicContact CD2-CG2 3.76Å
601A87.9Confident85.8Confident51 Ų5164 Ų6442%0.42136%0.359SS..SBendtrans-62.8-36.1-178.100000113.5V623 W625A601-V623 HydrophobicContact CB-CG1 4.13Å; A601-V623 WeakPolarHBondContact CB-O 3.49Å; A601-W625 PolarHBondContact N-O 3.49Å
602H84Confident86.1Confident150 Ų15065.7 Ų65.769%0.69438%0.376SS*.  trans-148.7134.1179.3176.3-80000109.5L600L600-H602 VanDerWaalsContact C-N 3.32Å; L600-H602 PolarHBondContact O-N 3.19Å
603V85Confident86.8Confident17 Ų1766.7 Ų66.710%0.10336%0.363CS..  trans-135.2124.6177.6-177.20000109.5V572 G586 L600 D607V572-V603 HydrophobicContact CG1-CG1 3.9Å; G586-V603 VanDerWaalsContact N-CG2 3.35Å; L600-V603 HydrophobicContact CB-CG2 3.63Å; L600-V603 HydrophobicContact CD1-CG2 3.91Å; L600-V603 HydrophobicContact CG-CG2 4.4Å; V603-D607 HydrophobicContact CG1-CB 3.77Å
604S83.8Confident87.4Confident37 Ų3765.9 Ų65.926%0.25936%0.359SS..  trans-100.5171.7175.775.10000111.4R606 D607S604-R606 PolarHBondContact O-N 3.23Å; S604-R606 PolarHBondContact OG-N 3.32Å; S604-D607 WeakPolarHBondContact CA-OD2 3.5Å; S604-D607 WeakPolarHBondContact CB-OD2 3.34Å; S604-D607 PolarHBondContact N-OD2 2.94Å; S604-D607 WeakPolarHBondContact O-CB 3.34Å; S604-D607 PolarHBondContact O-N 2.81Å; S604-D607 VanDerWaalsContact O-N 3.08Å; S604-D607 PolarHBondContact OG-OD2 2.66Å
605S79.8Confident88.1Confident82 Ų8261.4 Ų61.457%0.57333%0.331SS*.G310 helixtrans-60.5-23.317354.70000113.8D607 K608S605-D607 VanDerWaalsContact C-N 3.31Å; S605-K608 WeakPolarHBondContact O-CG 3.16Å
606R83.5Confident88.8Confident219 Ų21961.6 Ų61.683%0.82633%0.331SS*.G310 helixtrans-72.7-26.1176.9-62.4-179.7-179.7174.90.4112.2S604 K608 V609S604-R606 PolarHBondContact O-N 3.23Å; S604-R606 PolarHBondContact OG-N 3.32Å; R606-K608 PolarHBondContact O-N 2.77Å; R606-V609 WeakPolarHBondContact O-CG1 3.42Å
607D87Confident89.2Confident47 Ų4759 Ų5925%0.25131%0.314SS..G310 helixtrans-79.4-4.1-175.7-60.5-54000113V603 S604 S605 V609 L610V603-D607 HydrophobicContact CG1-CB 3.77Å; S604-D607 WeakPolarHBondContact CA-OD2 3.5Å; S604-D607 WeakPolarHBondContact CB-OD2 3.34Å; S604-D607 PolarHBondContact N-OD2 2.94Å; S604-D607 WeakPolarHBondContact O-CB 3.34Å; S604-D607 PolarHBondContact O-N 2.81Å; S604-D607 VanDerWaalsContact O-N 3.08Å; S604-D607 PolarHBondContact OG-OD2 2.66Å; S605-D607 VanDerWaalsContact C-N 3.31Å; D607-V609 PolarHBondContact O-N 2.83Å; D607-L610 HydrophobicContact CB-CD1 4.07Å; D607-L610 VanDerWaalsContact O-CB 3.24Å; D607-L610 WeakPolarHBondContact O-CB 3.4Å; D607-L610 WeakPolarHBondContact O-CG 3.47Å; D607-L610 PolarHBondContact O-N 2.83Å
608K87.4Confident89.5Confident106 Ų10658.7 Ų58.746%0.46131%0.311SS..G310 helixtrans-51.7-27.8169.4-74.9-174.4176.2-172.30113.5V572 Y584 S605 R606 L610 D611V572-K608 HydrophobicContact CG1-CG 4.42Å; Y584-K608 HydrophobicContact CE1-CD 4.3Å; Y584-K608 HydrophobicContact CE1-CG 4.28Å; Y584-K608 WeakPolarHBondContact OH-CE 3.35Å; Y584-K608 PolarHBondContact OH-NZ 3.3Å; S605-K608 WeakPolarHBondContact O-CG 3.16Å; R606-K608 PolarHBondContact O-N 2.77Å; K608-L610 PolarHBondContact O-N 3.3Å; K608-L610 VanDerWaalsContact O-N 3.16Å; K608-D611 VanDerWaalsContact O-CB 3.27Å; K608-D611 WeakPolarHBondContact O-CB 3.45Å; K608-D611 PolarHBondContact O-N 3.09Å; K608-D611 VanDerWaalsContact O-N 3.09Å
609V90.7Very high89.6Confident90 Ų9059.4 Ų59.455%0.54531%0.314SS..G310 helixtrans-62.6-15.817667.30000113.4R606 D607 K613R606-V609 WeakPolarHBondContact O-CG1 3.42Å; D607-V609 PolarHBondContact O-N 2.83Å; V609-K613 VanDerWaalsContact O-CD 3.24Å; V609-K613 WeakPolarHBondContact O-CD 3.5Å; V609-K613 WeakPolarHBondContact O-CE 3.32Å; V609-K613 PolarHBondContact O-NZ 3.45Å
610L90.7Very high89.4Confident17 Ų1756.3 Ų56.39%0.08931%0.305CS..G310 helixtrans-84.2-13.5176.9-56.3175.5000112.7C570 V572 D607 K608 G612 K613 V615 V627 V630C570-L610 HydrophobicContact CB-CB 4.49Å; V572-L610 HydrophobicContact CG2-CB 4.36Å; D607-L610 HydrophobicContact CB-CD1 4.07Å; D607-L610 VanDerWaalsContact O-CB 3.24Å; D607-L610 WeakPolarHBondContact O-CB 3.4Å; D607-L610 WeakPolarHBondContact O-CG 3.47Å; D607-L610 PolarHBondContact O-N 2.83Å; K608-L610 PolarHBondContact O-N 3.3Å; K608-L610 VanDerWaalsContact O-N 3.16Å; L610-G612 PolarHBondContact O-N 3.31Å; L610-K613 WeakPolarHBondContact O-CB 3.47Å; L610-K613 PolarHBondContact O-N 2.8Å; L610-V615 HydrophobicContact CD2-CG1 4.18Å; L610-V627 HydrophobicContact CD1-CG2 4.04Å; L610-V630 HydrophobicContact CD2-CG2 3.76Å
611D93.3Very high88.9Confident82 Ų8261.3 Ų61.344%0.43934%0.338SS..THydrogen-bonded Turntrans-58.5128.9-177-169.544.8000111.9K571 V572 K608 K613K571-D611 VanDerWaalsContact CA-OD1 3.3Å; K571-D611 WeakPolarHBondContact CA-OD1 3.45Å; V572-D611 HydrophobicContact CB-CB 4.16Å; V572-D611 HydrophobicContact CG2-CB 4.42Å; V572-D611 PolarHBondContact N-OD1 3.16Å; K608-D611 VanDerWaalsContact O-CB 3.27Å; K608-D611 WeakPolarHBondContact O-CB 3.45Å; K608-D611 PolarHBondContact O-N 3.09Å; K608-D611 VanDerWaalsContact O-N 3.09Å; D611-K613 PolarHBondContact O-N 2.83Å
612G91.3Very high88.6Confident43 Ų4363.4 Ų63.444%0.44337%0.365SS..THydrogen-bonded Turntrans76-8-177.400000115.6C570 L610C570-G612 WeakPolarHBondContact O-CA 3.22Å; C570-G612 PolarHBondContact O-N 2.9Å; L610-G612 PolarHBondContact O-N 3.31Å
613K93.5Very high88.7Confident82 Ų8259.9 Ų59.936%0.35735%0.354SS..  trans-85.8153.9-175.1-62-172.5178164.80112.6C570 V609 L610 D611 V630C570-K613 PolarHBondContact N-O 2.91Å; V609-K613 VanDerWaalsContact O-CD 3.24Å; V609-K613 WeakPolarHBondContact O-CD 3.5Å; V609-K613 WeakPolarHBondContact O-CE 3.32Å; V609-K613 PolarHBondContact O-NZ 3.45Å; L610-K613 WeakPolarHBondContact O-CB 3.47Å; L610-K613 PolarHBondContact O-N 2.8Å; D611-K613 PolarHBondContact O-N 2.83Å; K613-V630 HydrophobicContact CB-CG1 4.22Å; K613-V630 HydrophobicContact CD-CG1 3.86Å; K613-V630 HydrophobicContact CD-CG2 4.43Å
614I93.5Very high88.8Confident9 Ų960.1 Ų60.15%0.04636%0.36CS..EExtended strand (participates in β ladder)trans-80.5123.1166.9-50.2-51.8000108.2D567 F568 R569 R631 K634 P637D567-I614 HydrophobicContact CB-CG2 4.03Å; F568-I614 CarbonylContact O-C 3.59Å; F568-I614 VanDerWaalsContact O-CA 3.32Å; F568-I614 WeakPolarHBondContact O-CA 3.14Å; R569-I614 HydrophobicContact CB-CD1 3.84Å; R569-I614 HydrophobicContact CG-CD1 4.12Å; I614-R631 HydrophobicContact CB-CB 4.29Å; I614-R631 HydrophobicContact CG2-CB 4.04Å; I614-R631 PolarHBondContact O-N 2.62Å; I614-K634 HydrophobicContact CB-CB 4.49Å; I614-K634 HydrophobicContact CG2-CB 4.16Å; I614-P637 HydrophobicContact CD1-CB 4.21Å; I614-P637 HydrophobicContact CD1-CG 4.36Å
615V95.1Very high89.2Confident0 Ų059.4 Ų59.40%035%0.351CS..EExtended strand (participates in β ladder)trans-120.9132.9-177.4-65.70000109.5D567 F568 C570 L588 L610 V627 V630D567-V615 CarbonylContact C-O 3.59Å; D567-V615 VanDerWaalsContact CA-O 3.31Å; D567-V615 WeakPolarHBondContact CA-O 3.34Å; F568-V615 HydrophobicContact CB-CG2 4.36Å; F568-V615 PolarHBondContact N-O 3.45Å; F568-V615 PolarHBondContact O-N 2.84Å; C570-V615 HydrophobicContact CB-CG1 4.07Å; C570-V615 HydrophobicContact CB-CG2 3.72Å; L588-V615 HydrophobicContact CD2-CG2 4Å; L610-V615 HydrophobicContact CD2-CG1 4.18Å; V615-V627 HydrophobicContact CB-CG1 3.93Å; V615-V627 HydrophobicContact CB-CG2 4.01Å; V615-V627 HydrophobicContact CG1-CG1 4.07Å; V615-V627 HydrophobicContact CG1-CG2 4.24Å; V615-V627 HydrophobicContact CG2-CG2 4.1Å; V615-V630 HydrophobicContact CG1-CG2 4.47Å
616E95.8Very high89.8Confident17 Ų1760 Ų608%0.07934%0.344CS..EExtended strand (participates in β ladder)trans-83123.8169.2-175.8168.2-171.800107.9T565 D567 L628 R629 R631T565-E616 WeakPolarHBondContact CB-OE1 3.28Å; T565-E616 HydrophobicContact CG2-CG 4.24Å; T565-E616 WeakPolarHBondContact CG2-OE1 3.32Å; T565-E616 PolarHBondContact OG1-OE1 2.82Å; D567-E616 WeakPolarHBondContact OD1-CA 3.24Å; D567-E616 WeakPolarHBondContact OD1-CB 3.3Å; E616-L628 HydrophobicContact CG-CD2 4.32Å; E616-L628 WeakPolarHBondContact O-CB 3.35Å; E616-L628 PolarHBondContact O-N 2.89Å; E616-R629 HydrophobicContact CB-CG 4Å; E616-R629 PolarHBondContact N-O 2.88Å; E616-R629 PolarHBondContact O-N 3.42Å; E616-R629 IonicContact OE2-CZ 3.26Å; E616-R629 VanDerWaalsContact OE2-CZ 3.23Å; E616-R629 IonicContact OE2-NE 2.7Å; E616-R629 PolarHBondContact OE2-NE 2.75Å; E616-R629 IonicContact OE2-NH2 3.93Å; E616-R629 PolarHBondContact OE2-NH2 2.88Å; E616-R631 HydrophobicContact CB-CG 3.88Å; E616-R631 IonicContact OE2-NH1 3.97Å
617C94.2Very high90.3Very high0 Ų051.7 Ų51.70%032%0.317CS..EExtended strand (participates in β ladder)trans-118.8150.9-174.6-71.70000112.2T565 I566 F568 W625 K626T565-C617 WeakPolarHBondContact CA-O 3.36Å; I566-C617 HydrophobicContact CG2-CB 4.44Å; I566-C617 PolarHBondContact N-O 2.98Å; I566-C617 PolarHBondContact O-N 3.17Å; F568-C617 HydrophobicContact CD2-CB 3.84Å; F568-C617 HydrophobicContact CE2-CB 4.11Å; C617-W625 HydrophobicContact CB-CE3 3.93Å; C617-W625 HydrophobicContact CB-CZ3 4.32Å; C617-K626 WeakPolarHBondContact CA-O 2.99Å; C617-K626 WeakPolarHBondContact CB-O 3.3Å
618V93.3Very high90.5Very high35 Ų3554.4 Ų54.421%0.21233%0.331CS..EExtended strand (participates in β ladder)trans-123.7147.9169.2-63.50000109T565 V620 W625 K626 L628T565-V618 HydrophobicContact CG2-CG1 3.79Å; V618-V620 HydrophobicContact CG2-CG2 4.33Å; V618-W625 WeakPolarHBondContact O-CA 3.49Å; V618-K626 HydrophobicContact CG2-CB 4.44Å; V618-K626 PolarHBondContact N-O 2.84Å; V618-K626 PolarHBondContact O-N 3.3Å; V618-L628 HydrophobicContact CG1-CB 4.49Å; V618-L628 HydrophobicContact CG1-CD2 4.42Å
619C89.6Confident90.8Very high29 Ų2955.4 Ų55.420%0.19633%0.332CS..EExtended strand (participates in β ladder)trans-99118.1169.9-164.20000109W625 I650 M651C619-W625 HydrophobicContact CB-CD2 4.02Å; C619-W625 HydrophobicContact CB-CE3 3.95Å; C619-W625 HydrophobicContact CB-CH2 4.16Å; C619-W625 HydrophobicContact CB-CZ2 4.21Å; C619-W625 HydrophobicContact CB-CZ3 4.02Å; C619-I650 HydrophobicContact CB-CG2 3.35Å; C619-M651 HydrophobicContact CB-SD 4.25Å
620V86.7Confident91Very high49 Ų4953.6 Ų53.630%0.29732%0.321SS..EExtended strand (participates in β ladder)trans-92.4121.9177.51780000108.4V618 G622 V623 G624 K626V618-V620 HydrophobicContact CG2-CG2 4.33Å; V620-G622 PolarHBondContact O-N 3.03Å; V620-V623 HydrophobicContact CB-CB 4.1Å; V620-V623 HydrophobicContact CB-CG2 4.46Å; V620-V623 HydrophobicContact CG1-CB 4.12Å; V620-V623 HydrophobicContact CG1-CG2 3.93Å; V620-V623 PolarHBondContact O-N 2.96Å; V620-G624 PolarHBondContact N-O 2.69Å; V620-G624 PolarHBondContact O-N 3.42Å; V620-K626 HydrophobicContact CG2-CD 4.06Å
621P81.9Confident90.9Very high125 Ų12554.3 Ų54.381%0.81232%0.323SS*.THydrogen-bonded Turntrans-51.6130.3178.1-2835.2000112V623P621-V623 PolarHBondContact O-N 3.43Å
622G80.3Confident90.6Very high95 Ų9556.9 Ų56.998%0.97934%0.341SS*.THydrogen-bonded Turntrans75.8-7.9-178.800000116V620V620-G622 PolarHBondContact O-N 3.03Å
623V86Confident89.9Confident76 Ų7659.4 Ų59.446%0.46135%0.345SS..THydrogen-bonded Turntrans-113-41.1176.4-173.60000111.8A601 V620 P621A601-V623 HydrophobicContact CB-CG1 4.13Å; A601-V623 WeakPolarHBondContact CB-O 3.49Å; V620-V623 HydrophobicContact CB-CB 4.1Å; V620-V623 HydrophobicContact CB-CG2 4.46Å; V620-V623 HydrophobicContact CG1-CB 4.12Å; V620-V623 HydrophobicContact CG1-CG2 3.93Å; V620-V623 PolarHBondContact O-N 2.96Å; P621-V623 PolarHBondContact O-N 3.43Å
624G87.6Confident89.2Confident22 Ų2258.8 Ų58.823%0.22734%0.342CS..EExtended strand (participates in β ladder)trans102.2-161.4-175.500000113.2V620V620-G624 PolarHBondContact N-O 2.69Å; V620-G624 PolarHBondContact O-N 3.42Å
625W92.3Very high88.6Confident22 Ų2264.1 Ų64.18%0.08338%0.375CS..EExtended strand (participates in β ladder)trans-72.5132.7-172.6-66.896.2000113.1I566 F568 L588 A598 L600 A601 C617 V618 C619 I647 I650 M651I566-W625 HydrophobicContact CG2-CE3 4.47Å; I566-W625 HydrophobicContact CG2-CH2 3.8Å; I566-W625 HydrophobicContact CG2-CZ3 3.48Å; I566-W625 VanDerWaalsContact CG2-CZ3 3.48Å; F568-W625 HydrophobicContact CE2-CD2 4.41Å; F568-W625 HydrophobicContact CE2-CE3 4Å; F568-W625 HydrophobicContact CE2-CH2 4.19Å; F568-W625 AromaticContact CE2-CZ3 3.89Å; F568-W625 HydrophobicContact CE2-CZ3 3.89Å; F568-W625 HydrophobicContact CZ-CH2 4.3Å; F568-W625 HydrophobicContact CZ-CZ3 4.45Å; L588-W625 HydrophobicContact CD1-CB 3.92Å; L588-W625 HydrophobicContact CD1-CG 4.19Å; A598-W625 HydrophobicContact CB-CD2 4.42Å; A598-W625 HydrophobicContact CB-CG 4.24Å; L600-W625 HydrophobicContact CD2-CB 4.41Å; A601-W625 PolarHBondContact N-O 3.49Å; C617-W625 HydrophobicContact CB-CE3 3.93Å; C617-W625 HydrophobicContact CB-CZ3 4.32Å; V618-W625 WeakPolarHBondContact O-CA 3.49Å; C619-W625 HydrophobicContact CB-CD2 4.02Å; C619-W625 HydrophobicContact CB-CE3 3.95Å; C619-W625 HydrophobicContact CB-CH2 4.16Å; C619-W625 HydrophobicContact CB-CZ2 4.21Å; C619-W625 HydrophobicContact CB-CZ3 4.02Å; W625-I647 HydrophobicContact CH2-CG1 4.17Å; W625-I647 HydrophobicContact CZ2-CG1 4.21Å; W625-I647 HydrophobicContact CZ2-CG2 4.13Å; W625-I650 HydrophobicContact CH2-CB 4.33Å; W625-I650 HydrophobicContact CH2-CD1 3.88Å; W625-I650 HydrophobicContact CH2-CG2 3.94Å; W625-I650 HydrophobicContact CZ3-CD1 4.05Å; W625-I650 HydrophobicContact CZ3-CG2 4.26Å; W625-M651 HydrophobicContact CZ2-SD 4.36Å
626K92.6Very high88.1Confident95 Ų9569.5 Ų69.541%0.41340%0.4SS..EExtended strand (participates in β ladder)trans-129.5147.8174.3-66.4-172.7-179178.70110.7C617 V618 V620C617-K626 WeakPolarHBondContact CA-O 2.99Å; C617-K626 WeakPolarHBondContact CB-O 3.3Å; V618-K626 HydrophobicContact CG2-CB 4.44Å; V618-K626 PolarHBondContact N-O 2.84Å; V618-K626 PolarHBondContact O-N 3.3Å; V620-K626 HydrophobicContact CG2-CD 4.06Å
627V93.4Very high87.9Confident44 Ų4469.3 Ų69.327%0.26740%0.401SS..EExtended strand (participates in β ladder)trans-78.3125.6170.8176.90000109.2L600 L610 V615L600-V627 HydrophobicContact CD1-CG2 3.99Å; L600-V627 HydrophobicContact CD2-CG2 3.76Å; L610-V627 HydrophobicContact CD1-CG2 4.04Å; V615-V627 HydrophobicContact CB-CG1 3.93Å; V615-V627 HydrophobicContact CB-CG2 4.01Å; V615-V627 HydrophobicContact CG1-CG1 4.07Å; V615-V627 HydrophobicContact CG1-CG2 4.24Å; V615-V627 HydrophobicContact CG2-CG2 4.1Å
628L92.6Very high87.7Confident105 Ų10571 Ų7155%0.5541%0.409SS..EExtended strand (participates in β ladder)trans-83.6-49.3171.7-177.765.7000110.5T565 E616 V618T565-L628 HydrophobicContact CG2-CD2 4.09Å; E616-L628 HydrophobicContact CG-CD2 4.32Å; E616-L628 WeakPolarHBondContact O-CB 3.35Å; E616-L628 PolarHBondContact O-N 2.89Å; V618-L628 HydrophobicContact CG1-CB 4.49Å; V618-L628 HydrophobicContact CG1-CD2 4.42Å
629R93.5Very high87.3Confident126 Ų12675.4 Ų75.448%0.47542%0.423SS..EExtended strand (participates in β ladder)trans-159.5167.4176.262.6173.6178.4144.62.1112E616 R631E616-R629 HydrophobicContact CB-CG 4Å; E616-R629 PolarHBondContact N-O 2.88Å; E616-R629 PolarHBondContact O-N 3.42Å; E616-R629 IonicContact OE2-CZ 3.26Å; E616-R629 VanDerWaalsContact OE2-CZ 3.23Å; E616-R629 IonicContact OE2-NE 2.7Å; E616-R629 PolarHBondContact OE2-NE 2.75Å; E616-R629 IonicContact OE2-NH2 3.93Å; E616-R629 PolarHBondContact OE2-NH2 2.88Å; R629-R631 VanDerWaalsContact CZ-CD 3.5Å
630V93.5Very high87Confident52 Ų5275.7 Ų75.732%0.31542%0.421SS..EExtended strand (participates in β ladder)trans-87132.2168.6177.70000109.1L610 K613 V615 T632L610-V630 HydrophobicContact CD2-CG2 3.76Å; K613-V630 HydrophobicContact CB-CG1 4.22Å; K613-V630 HydrophobicContact CD-CG1 3.86Å; K613-V630 HydrophobicContact CD-CG2 4.43Å; V615-V630 HydrophobicContact CG1-CG2 4.47Å; V630-T632 HydrophobicContact CG1-CG2 4.18Å; V630-T632 PolarHBondContact O-N 3.2Å
631R89.9Confident86.6Confident33 Ų3380.9 Ų80.913%0.12544%0.44CS..  trans-95.786.1178.4-65.7-64.5-64.1-101.112.3110.7D567 I614 E616 R629 D633 K634D567-R631 WeakPolarHBondContact OD1-CG 3.44Å; D567-R631 IonicContact OD1-CZ 3.54Å; D567-R631 IonicContact OD1-NH1 3.75Å; D567-R631 PolarHBondContact OD1-NH1 2.94Å; D567-R631 IonicContact OD2-NH1 2.59Å; D567-R631 PolarHBondContact OD2-NH1 3.15Å; I614-R631 HydrophobicContact CB-CB 4.29Å; I614-R631 HydrophobicContact CG2-CB 4.04Å; I614-R631 PolarHBondContact O-N 2.62Å; E616-R631 HydrophobicContact CB-CG 3.88Å; E616-R631 IonicContact OE2-NH1 3.97Å; R629-R631 VanDerWaalsContact CZ-CD 3.5Å; R631-D633 WeakPolarHBondContact CA-OD1 3.35Å; R631-D633 IonicContact CZ-OD1 3.52Å; R631-D633 IonicContact CZ-OD2 3.34Å; R631-D633 IonicContact NE-OD1 3.68Å; R631-D633 PolarHBondContact NE-OD1 2.95Å; R631-D633 IonicContact NE-OD2 3.33Å; R631-D633 PolarHBondContact NE-OD2 2.77Å; R631-D633 IonicContact NH2-OD1 3.46Å; R631-D633 IonicContact NH2-OD2 2.67Å; R631-D633 PolarHBondContact NH2-OD2 2.73Å; R631-D633 PolarHBondContact O-N 3.04Å; R631-K634 HydrophobicContact CB-CB 4.19Å; R631-K634 HydrophobicContact CB-CD 4.45Å; R631-K634 HydrophobicContact CB-CG 4.34Å; R631-K634 VanDerWaalsContact NH2-CE 3.34Å; R631-K634 PolarHBondContact O-N 3.2Å
632T85.8Confident86.4Confident135 Ų13577.7 Ų77.783%0.82842%0.421SS*.THydrogen-bonded Turntrans-73.2-16.7176.653.20000113V630 K634V630-T632 HydrophobicContact CG1-CG2 4.18Å; V630-T632 PolarHBondContact O-N 3.2Å; T632-K634 VanDerWaalsContact C-N 3.27Å
633D76.4Confident86.7Confident97 Ų9773.1 Ų73.152%0.51937%0.374SS..THydrogen-bonded Turntrans-75.7-11.2174.960.6-57.2000113.3R631R631-D633 WeakPolarHBondContact CA-OD1 3.35Å; R631-D633 IonicContact CZ-OD1 3.52Å; R631-D633 IonicContact CZ-OD2 3.34Å; R631-D633 IonicContact NE-OD1 3.68Å; R631-D633 PolarHBondContact NE-OD1 2.95Å; R631-D633 IonicContact NE-OD2 3.33Å; R631-D633 PolarHBondContact NE-OD2 2.77Å; R631-D633 IonicContact NH2-OD1 3.46Å; R631-D633 IonicContact NH2-OD2 2.67Å; R631-D633 PolarHBondContact NH2-OD2 2.73Å; R631-D633 PolarHBondContact O-N 3.04Å
634K78.8Confident86.6Confident68 Ų6870.2 Ų70.230%0.29636%0.356SS..  trans-116.2132.2-175.2-68.3-168166.1-175.50112.5D567 I614 R631 T632D567-K634 HydrophobicContact CB-CD 4.4Å; D567-K634 IonicContact OD2-NZ 3.73Å; D567-K634 PolarHBondContact OD2-NZ 3.01Å; I614-K634 HydrophobicContact CB-CB 4.49Å; I614-K634 HydrophobicContact CG2-CB 4.16Å; R631-K634 HydrophobicContact CB-CB 4.19Å; R631-K634 HydrophobicContact CB-CD 4.45Å; R631-K634 HydrophobicContact CB-CG 4.34Å; R631-K634 VanDerWaalsContact NH2-CE 3.34Å; R631-K634 PolarHBondContact O-N 3.2Å; T632-K634 VanDerWaalsContact C-N 3.27Å
635T81.5Confident86.2Confident121 Ų12170 Ų7074%0.74235%0.352SS*.SBendtrans-87.9-27.7172.356.40000112.6
636E85.3Confident85.9Confident114 Ų11470 Ų7053%0.53335%0.354SS..SBendtrans-130.3147.2-177.8-66.9-56.414700111.9R569R569-E636 IonicContact NH2-OE1 2.66Å; R569-E636 PolarHBondContact NH2-OE1 3.34Å; R569-E636 IonicContact NH2-OE2 3.92Å; R569-E636 PolarHBondContact NH2-OE2 2.77Å
637P90.4Very high85.7Confident13 Ų1366.9 Ų66.98%0.08434%0.341CS..  trans-73.2176.3173.934-36.1000111.4D567 R569 I614 Y639D567-P637 WeakPolarHBondContact O-CB 3.35Å; R569-P637 HydrophobicContact CB-CB 4.36Å; R569-P637 HydrophobicContact CB-CG 4.05Å; I614-P637 HydrophobicContact CD1-CB 4.21Å; I614-P637 HydrophobicContact CD1-CG 4.36Å; P637-Y639 PolarHBondContact O-N 2.81Å
638N89.7Confident85.2Confident34 Ų3465.1 Ų65.118%0.18233%0.33CS..  trans-59.8131.5172.6-71.3118.3000111.1I566 D567 L590 G591I566-N638 HydrophobicContact CG1-CB 4.3Å; D567-N638 WeakPolarHBondContact CB-OD1 3.35Å; D567-N638 PolarHBondContact N-OD1 3.21Å; D567-N638 PolarHBondContact O-N 3.35Å; L590-N638 HydrophobicContact CD2-CB 4.37Å; G591-N638 PolarHBondContact N-O 3.15Å
639Y86.7Confident84.9Confident128 Ų12860.3 Ų60.350%0.50231%0.305SS..BIsolated β-bridgetrans-66.2140.2178.1-172.6-108000111.2G591 P637 K641 S642 G643G591-Y639 WeakPolarHBondContact O-CD2 3.5Å; P637-Y639 PolarHBondContact O-N 2.81Å; Y639-K641 VanDerWaalsContact C-N 3.34Å; Y639-K641 HydrophobicContact CD1-CB 4.09Å; Y639-K641 HydrophobicContact CD1-CG 4.27Å; Y639-K641 HydrophobicContact CE1-CB 4.2Å; Y639-K641 HydrophobicContact CE1-CD 4.24Å; Y639-K641 HydrophobicContact CE1-CG 3.86Å; Y639-K641 PolarHBondContact O-N 3.24Å; Y639-K641 VanDerWaalsContact O-N 3.16Å; Y639-S642 PolarHBondContact O-N 2.85Å; Y639-S642 PolarHBondContact O-OG 3.5Å; Y639-G643 PolarHBondContact O-N 3.15Å
640H82.6Confident84.6Confident35 Ų3555.3 Ų55.316%0.16229%0.288CS..Hα-helixtrans-51.9-45.1-167.672.6-87.8000114.4L590 G591 L593 S642 G643 V644L590-H640 HydrophobicContact CB-CB 4.12Å; L590-H640 HydrophobicContact CD1-CB 4.37Å; G591-H640 PolarHBondContact O-N 3.48Å; G591-H640 PolarHBondContact O-ND1 3.46Å; L593-H640 HydrophobicContact CD1-CB 3.7Å; L593-H640 HydrophobicContact CD2-CB 4.23Å; L593-H640 HydrophobicContact CG-CB 3.67Å; H640-S642 VanDerWaalsContact C-N 3.25Å; H640-S642 PolarHBondContact O-N 3.36Å; H640-G643 PolarHBondContact O-N 2.88Å; H640-V644 VanDerWaalsContact O-CG2 3.28Å; H640-V644 WeakPolarHBondContact O-CG2 3.24Å; H640-V644 PolarHBondContact O-N 3.17Å
641K77.2Confident84.1Confident159 Ų15956.9 Ų56.969%0.69129%0.293SS*.Hα-helixtrans-55.8-40.1179.2-66.1-166.6176.2-170.10112.8Y639Y639-K641 VanDerWaalsContact C-N 3.34Å; Y639-K641 HydrophobicContact CD1-CB 4.09Å; Y639-K641 HydrophobicContact CD1-CG 4.27Å; Y639-K641 HydrophobicContact CE1-CB 4.2Å; Y639-K641 HydrophobicContact CE1-CD 4.24Å; Y639-K641 HydrophobicContact CE1-CG 3.86Å; Y639-K641 PolarHBondContact O-N 3.24Å; Y639-K641 VanDerWaalsContact O-N 3.16Å
642S79.2Confident83.9Confident57 Ų5760 Ų6040%0.39931%0.305SS..Hα-helixtrans-81.7-35.3175.362.60000112.7Y639 H640 I646Y639-S642 PolarHBondContact O-N 2.85Å; Y639-S642 PolarHBondContact O-OG 3.5Å; H640-S642 VanDerWaalsContact C-N 3.25Å; H640-S642 PolarHBondContact O-N 3.36Å; S642-I646 VanDerWaalsContact O-CG1 3.31Å; S642-I646 WeakPolarHBondContact O-CG1 3.33Å; S642-I646 PolarHBondContact O-N 2.87Å
643G85.3Confident84Confident0 Ų055.5 Ų55.50%028%0.279CS..Hα-helixtrans-67.1-37.7-176.400000113.1I566 Y639 H640 A645 I646 I647I566-G643 WeakPolarHBondContact CD1-O 3.35Å; Y639-G643 PolarHBondContact O-N 3.15Å; H640-G643 PolarHBondContact O-N 2.88Å; G643-A645 PolarHBondContact O-N 2.95Å; G643-I646 PolarHBondContact O-N 3.34Å; G643-I647 WeakPolarHBondContact O-CG1 3.44Å; G643-I647 PolarHBondContact O-N 3.4Å
644V83.6Confident84.6Confident15 Ų1551.1 Ų51.19%0.09126%0.255CS..Hα-helixtrans-61-46.7177.71730000111.3Y149 L590 H640 I646 I647 E648Y149-V644 HydrophobicContact CD1-CG1 4Å; Y149-V644 HydrophobicContact CD2-CG1 4.21Å; Y149-V644 HydrophobicContact CE1-CG1 3.68Å; Y149-V644 HydrophobicContact CE1-CG2 4.13Å; Y149-V644 HydrophobicContact CE2-CG1 3.91Å; Y149-V644 HydrophobicContact CE2-CG2 4.01Å; Y149-V644 HydrophobicContact CG-CG1 4.26Å; Y149-V644 VanDerWaalsContact CZ-CG2 3.5Å; Y149-V644 WeakPolarHBondContact OH-CG2 3.39Å; L590-V644 HydrophobicContact CD1-CG2 4.26Å; H640-V644 VanDerWaalsContact O-CG2 3.28Å; H640-V644 WeakPolarHBondContact O-CG2 3.24Å; H640-V644 PolarHBondContact O-N 3.17Å; V644-I646 VanDerWaalsContact C-N 3.29Å; V644-I646 PolarHBondContact O-N 2.97Å; V644-I647 PolarHBondContact O-N 3.32Å; V644-E648 PolarHBondContact O-N 3.14Å
645A80.4Confident85.2Confident17 Ų1750 Ų5014%0.1425%0.254CS..Hα-helixtrans-63.3-35176.300000112.4T344 G643 S649T344-A645 HydrophobicContact CG2-CB 4.44Å; G643-A645 PolarHBondContact O-N 2.95Å; A645-S649 WeakPolarHBondContact O-CB 3.39Å; A645-S649 PolarHBondContact O-N 3.35Å; A645-S649 PolarHBondContact O-OG 3.17Å
646I86.6Confident85.8Confident23 Ų2345.6 Ų45.612%0.11823%0.23CC..Hα-helixtrans-68.7-44.7175.3-62.9164000110.4I566 S642 G643 V644 E648 S649 I650I566-I646 HydrophobicContact CB-CG2 3.78Å; I566-I646 HydrophobicContact CD1-CB 4.02Å; I566-I646 HydrophobicContact CD1-CG2 4.02Å; I566-I646 HydrophobicContact CG1-CB 4.48Å; I566-I646 HydrophobicContact CG1-CG2 4.09Å; S642-I646 VanDerWaalsContact O-CG1 3.31Å; S642-I646 WeakPolarHBondContact O-CG1 3.33Å; S642-I646 PolarHBondContact O-N 2.87Å; G643-I646 PolarHBondContact O-N 3.34Å; V644-I646 VanDerWaalsContact C-N 3.29Å; V644-I646 PolarHBondContact O-N 2.97Å; I646-E648 VanDerWaalsContact C-N 3.33Å; I646-E648 PolarHBondContact O-N 3.23Å; I646-S649 WeakPolarHBondContact CA-OG 3.05Å; I646-S649 PolarHBondContact O-N 2.72Å; I646-S649 VanDerWaalsContact O-N 3.16Å; I646-S649 PolarHBondContact O-OG 3.4Å; I646-I650 HydrophobicContact CG2-CD1 3.84Å; I646-I650 HydrophobicContact CG2-CG1 4.48Å; I646-I650 WeakPolarHBondContact O-CG1 3.5Å; I646-I650 PolarHBondContact O-N 3.15Å
647I87.1Confident86.1Confident28 Ų2846.2 Ų46.214%0.14423%0.232CC..Hα-helixtrans-56.9-48175.2-71.7169.2000110.3I566 F568 L590 W625 G643 V644 S649 I650 M651I566-I647 HydrophobicContact CD1-CD1 4.18Å; I566-I647 HydrophobicContact CD1-CG1 3.62Å; F568-I647 HydrophobicContact CE1-CD1 3.95Å; F568-I647 HydrophobicContact CZ-CD1 3.81Å; F568-I647 HydrophobicContact CZ-CG1 4.01Å; L590-I647 HydrophobicContact CD1-CD1 3.9Å; W625-I647 HydrophobicContact CH2-CG1 4.17Å; W625-I647 HydrophobicContact CZ2-CG1 4.21Å; W625-I647 HydrophobicContact CZ2-CG2 4.13Å; G643-I647 WeakPolarHBondContact O-CG1 3.44Å; G643-I647 PolarHBondContact O-N 3.4Å; V644-I647 PolarHBondContact O-N 3.32Å; I647-S649 VanDerWaalsContact C-N 3.33Å; I647-S649 PolarHBondContact O-N 3.14Å; I647-I650 WeakPolarHBondContact O-CB 3.13Å; I647-I650 PolarHBondContact O-N 3.42Å; I647-I650 VanDerWaalsContact O-N 3.11Å; I647-M651 HydrophobicContact CG2-CG 4.06Å; I647-M651 WeakPolarHBondContact O-CB 3.39Å; I647-M651 VanDerWaalsContact O-CG 3.27Å; I647-M651 WeakPolarHBondContact O-CG 3.3Å; I647-M651 PolarHBondContact O-N 2.65Å
648E84.2Confident86.2Confident7 Ų748.9 Ų48.93%0.03324%0.244CC..Hα-helixtrans-58.6-45176.3-176.3-173.7167.200111.6I153 T344 R346 V644 I646 I650 M651 Y652I153-E648 HydrophobicContact CD1-CB 4.45Å; I153-E648 HydrophobicContact CD1-CG 4.37Å; T344-E648 WeakPolarHBondContact CB-OE1 3.47Å; T344-E648 HydrophobicContact CG2-CB 4.34Å; T344-E648 HydrophobicContact CG2-CG 4.21Å; T344-E648 PolarHBondContact OG1-OE1 2.62Å; T344-E648 VanDerWaalsContact OG1-OE1 3.11Å; R346-E648 IonicContact CZ-OE1 2.68Å; R346-E648 IonicContact CZ-OE2 2.75Å; R346-E648 IonicContact NE-OE1 2.83Å; R346-E648 VanDerWaalsContact NH1-CD 3.31Å; R346-E648 IonicContact NH1-OE1 2.69Å; R346-E648 PolarHBondContact NH1-OE1 3.42Å; R346-E648 IonicContact NH1-OE2 3.71Å; R346-E648 PolarHBondContact NH1-OE2 3.03Å; R346-E648 IonicContact NH2-OE1 2.66Å; R346-E648 PolarHBondContact NH2-OE1 3.49Å; R346-E648 IonicContact NH2-OE2 3.88Å; R346-E648 PolarHBondContact NH2-OE2 3.26Å; R346-E648 VanDerWaalsContact NH2-OE2 3.14Å; V644-E648 PolarHBondContact O-N 3.14Å; I646-E648 VanDerWaalsContact C-N 3.33Å; I646-E648 PolarHBondContact O-N 3.23Å; E648-I650 PolarHBondContact O-N 3.29Å; E648-M651 PolarHBondContact O-N 3.17Å; E648-Y652 PolarHBondContact O-N 2.83Å
649S85.4Confident86.3Confident5 Ų547.2 Ų47.24%0.03524%0.235CC..Hα-helixtrans-65.5-21.4177.775.60000114.2I343 N564 A645 I646 I647 P653I343-S649 WeakPolarHBondContact O-CB 3.22Å; N564-S649 PolarHBondContact ND2-O 3.24Å; A645-S649 WeakPolarHBondContact O-CB 3.39Å; A645-S649 PolarHBondContact O-N 3.35Å; A645-S649 PolarHBondContact O-OG 3.17Å; I646-S649 WeakPolarHBondContact CA-OG 3.05Å; I646-S649 PolarHBondContact O-N 2.72Å; I646-S649 VanDerWaalsContact O-N 3.16Å; I646-S649 PolarHBondContact O-OG 3.4Å; I647-S649 VanDerWaalsContact C-N 3.33Å; I647-S649 PolarHBondContact O-N 3.14Å; S649-P653 VanDerWaalsContact O-CA 3.28Å; S649-P653 WeakPolarHBondContact O-CA 3.35Å; S649-P653 WeakPolarHBondContact O-CB 3.33Å
650I86.8Confident86.6Confident21 Ų2141.9 Ų41.911%0.10822%0.216CC..Hα-helixtrans-84.3-45174.8-71.8166.3000110.4N564 I566 C619 W625 I646 I647 E648N564-I650 HydrophobicContact CB-CD1 4.38Å; N564-I650 HydrophobicContact CB-CG1 3.55Å; I566-I650 HydrophobicContact CB-CD1 4.08Å; I566-I650 HydrophobicContact CG2-CD1 3.86Å; C619-I650 HydrophobicContact CB-CG2 3.35Å; W625-I650 HydrophobicContact CH2-CB 4.33Å; W625-I650 HydrophobicContact CH2-CD1 3.88Å; W625-I650 HydrophobicContact CH2-CG2 3.94Å; W625-I650 HydrophobicContact CZ3-CD1 4.05Å; W625-I650 HydrophobicContact CZ3-CG2 4.26Å; I646-I650 HydrophobicContact CG2-CD1 3.84Å; I646-I650 HydrophobicContact CG2-CG1 4.48Å; I646-I650 WeakPolarHBondContact O-CG1 3.5Å; I646-I650 PolarHBondContact O-N 3.15Å; I647-I650 WeakPolarHBondContact O-CB 3.13Å; I647-I650 PolarHBondContact O-N 3.42Å; I647-I650 VanDerWaalsContact O-N 3.11Å; E648-I650 PolarHBondContact O-N 3.29Å
651M83.3Confident87.1Confident84 Ų8445.4 Ų45.441%0.41423%0.234SC..Hα-helixtrans-75.1-39.3-175.2-67.4-65.6-65.700112.1C619 W625 I647 E648 P653C619-M651 HydrophobicContact CB-SD 4.25Å; W625-M651 HydrophobicContact CZ2-SD 4.36Å; I647-M651 HydrophobicContact CG2-CG 4.06Å; I647-M651 WeakPolarHBondContact O-CB 3.39Å; I647-M651 VanDerWaalsContact O-CG 3.27Å; I647-M651 WeakPolarHBondContact O-CG 3.3Å; I647-M651 PolarHBondContact O-N 2.65Å; E648-M651 PolarHBondContact O-N 3.17Å; M651-P653 VanDerWaalsContact C-CD 3.43Å; M651-P653 WeakPolarHBondContact O-CD 3.34Å
652Y85.3Confident87.7Confident98 Ų9838.7 Ų38.738%0.38421%0.206SC..SBendtrans-127.262.8-177.1-53.3-80.9000110.1D152 I153 Q345 E648 V654D152-Y652 PolarHBondContact OD2-OH 3.21Å; I153-Y652 HydrophobicContact CD1-CD2 4.24Å; I153-Y652 HydrophobicContact CD1-CE2 3.81Å; I153-Y652 HydrophobicContact CG1-CE2 3.85Å; Q345-Y652 PolarHBondContact NE2-O 3.36Å; Q345-Y652 VanDerWaalsContact NE2-O 3.16Å; E648-Y652 PolarHBondContact O-N 2.83Å; Y652-V654 PolarHBondContact O-N 3.05Å
653P88.7Confident88.3Confident42 Ų4236.3 Ų36.327%0.27319%0.189SC..PPolyproline II helixtrans-62.3137-17124.8-33.3000112Q345 P561 S649 M651 T655 Q658Q345-P653 PolarHBondContact NE2-O 3.11Å; P561-P653 HydrophobicContact CB-CB 3.61Å; P561-P653 HydrophobicContact CB-CG 4.14Å; P561-P653 HydrophobicContact CG-CB 3.54Å; P561-P653 HydrophobicContact CG-CG 4.32Å; S649-P653 VanDerWaalsContact O-CA 3.28Å; S649-P653 WeakPolarHBondContact O-CA 3.35Å; S649-P653 WeakPolarHBondContact O-CB 3.33Å; M651-P653 VanDerWaalsContact C-CD 3.43Å; M651-P653 WeakPolarHBondContact O-CD 3.34Å; P653-T655 PolarHBondContact O-N 3.32Å; P653-Q658 PolarHBondContact O-OE1 2.73Å
654V89.1Confident88.6Confident4 Ų441.9 Ų41.92%0.02421%0.211CC..PPolyproline II helixtrans-78.6118165.1177.40000107.9I343 V348 W558 Y652 Q658 L659I343-V654 HydrophobicContact CG2-CB 3.82Å; I343-V654 HydrophobicContact CG2-CG1 4.05Å; I343-V654 HydrophobicContact CG2-CG2 3.67Å; V348-V654 HydrophobicContact CB-CG2 4.35Å; V348-V654 HydrophobicContact CG2-CG1 3.93Å; W558-V654 PolarHBondContact NE1-O 2.74Å; Y652-V654 PolarHBondContact O-N 3.05Å; V654-Q658 VanDerWaalsContact CA-OE1 3.3Å; V654-Q658 HydrophobicContact CG1-CB 3.99Å; V654-L659 HydrophobicContact CG1-CD2 3.84Å; V654-L659 HydrophobicContact CG1-CG 3.97Å
655T92.1Very high88.9Confident46 Ų4646.1 Ų46.128%0.28223%0.229SC..PPolyproline II helixtrans-78.4164.8-179.481.70000112.1P653 E657 Q658 L659P653-T655 PolarHBondContact O-N 3.32Å; T655-E657 WeakPolarHBondContact CB-OE2 3.29Å; T655-E657 PolarHBondContact O-N 3.04Å; T655-E657 PolarHBondContact OG1-N 3Å; T655-E657 PolarHBondContact OG1-OE2 3.39Å; T655-Q658 PolarHBondContact O-N 3.08Å; T655-Q658 PolarHBondContact OG1-N 2.84Å; T655-L659 PolarHBondContact O-N 2.69Å; T655-L659 VanDerWaalsContact O-N 3.08Å
656A93Very high89.3Confident27 Ų2747.3 Ų47.322%0.22323%0.23CC..Hα-helixtrans-58.9-38.317400000111.4L521 W558 L659 V660L521-A656 HydrophobicContact CD1-CB 4.13Å; W558-A656 HydrophobicContact CH2-CB 4.08Å; W558-A656 HydrophobicContact CZ2-CB 4.14Å; A656-L659 WeakPolarHBondContact O-CB 3.47Å; A656-L659 PolarHBondContact O-N 2.97Å; A656-V660 WeakPolarHBondContact O-CG2 3.37Å; A656-V660 PolarHBondContact O-N 3.15Å; A656-V660 VanDerWaalsContact O-N 3.09Å
657E92.3Very high89.3Confident127 Ų12749.6 Ų49.659%0.59324%0.24SC*.Hα-helixtrans-63.6-44.7176.8-59.171.8-155.400111.1T655 L659 V660 M661T655-E657 WeakPolarHBondContact CB-OE2 3.29Å; T655-E657 PolarHBondContact O-N 3.04Å; T655-E657 PolarHBondContact OG1-N 3Å; T655-E657 PolarHBondContact OG1-OE2 3.39Å; E657-L659 VanDerWaalsContact C-N 3.34Å; E657-L659 PolarHBondContact O-N 3.28Å; E657-V660 PolarHBondContact O-N 3.01Å; E657-M661 WeakPolarHBondContact O-CB 3.45Å; E657-M661 VanDerWaalsContact O-CG 3.28Å; E657-M661 WeakPolarHBondContact O-CG 3.46Å; E657-M661 PolarHBondContact O-N 2.95Å
658Q91.1Very high89.1Confident69 Ų6952.2 Ų52.232%0.32226%0.255SS..Hα-helixtrans-62.6-39.5177.2-71.8177.6-4400112.2P653 V654 T655 M661 C662P653-Q658 PolarHBondContact O-OE1 2.73Å; V654-Q658 VanDerWaalsContact CA-OE1 3.3Å; V654-Q658 HydrophobicContact CG1-CB 3.99Å; T655-Q658 PolarHBondContact O-N 3.08Å; T655-Q658 PolarHBondContact OG1-N 2.84Å; Q658-M661 PolarHBondContact O-N 2.96Å; Q658-C662 PolarHBondContact O-N 3.36Å; Q658-C662 PolarHBondContact O-SG 3.31Å
659L92.6Very high89Confident0 Ų058.2 Ų58.20%028%0.28CS..Hα-helixtrans-59.6-51173.2-71.5178000111.7I343 V348 L351 F538 W558 V654 T655 A656 E657 M661 C662 V663I343-L659 HydrophobicContact CD1-CD2 3.76Å; I343-L659 HydrophobicContact CG2-CD2 4.45Å; V348-L659 HydrophobicContact CG2-CD2 4.14Å; L351-L659 HydrophobicContact CD1-CD2 3.77Å; F538-L659 HydrophobicContact CE2-CD1 4.42Å; F538-L659 HydrophobicContact CE2-CD2 4.33Å; F538-L659 HydrophobicContact CZ-CD1 4.18Å; F538-L659 HydrophobicContact CZ-CD2 4.21Å; W558-L659 HydrophobicContact CB-CD1 4.24Å; W558-L659 HydrophobicContact CD2-CD1 3.44Å; W558-L659 VanDerWaalsContact CD2-CD1 3.44Å; W558-L659 VanDerWaalsContact CE2-CD1 3.5Å; W558-L659 HydrophobicContact CE3-CD1 4.03Å; W558-L659 HydrophobicContact CG-CD1 3.54Å; W558-L659 HydrophobicContact CG-CG 4.5Å; W558-L659 HydrophobicContact CZ2-CD1 4.12Å; V654-L659 HydrophobicContact CG1-CD2 3.84Å; V654-L659 HydrophobicContact CG1-CG 3.97Å; T655-L659 PolarHBondContact O-N 2.69Å; T655-L659 VanDerWaalsContact O-N 3.08Å; A656-L659 WeakPolarHBondContact O-CB 3.47Å; A656-L659 PolarHBondContact O-N 2.97Å; E657-L659 VanDerWaalsContact C-N 3.34Å; E657-L659 PolarHBondContact O-N 3.28Å; L659-M661 VanDerWaalsContact C-N 3.26Å; L659-M661 PolarHBondContact O-N 2.93Å; L659-C662 PolarHBondContact O-N 3.09Å; L659-C662 VanDerWaalsContact O-N 3.16Å; L659-V663 WeakPolarHBondContact O-CG2 3.03Å; L659-V663 PolarHBondContact O-N 3.5Å
660V93.2Very high88.8Confident16 Ų1661.5 Ų61.510%0.09730%0.3CS..Hα-helixtrans-61.5-38.1179.9173.10000110.8E518 L521 A656 E657 V663 R664E518-V660 HydrophobicContact CB-CG1 4.29Å; E518-V660 HydrophobicContact CB-CG2 3.99Å; E518-V660 HydrophobicContact CG-CG1 4.43Å; E518-V660 HydrophobicContact CG-CG2 4.32Å; L521-V660 HydrophobicContact CD1-CG2 4.04Å; A656-V660 WeakPolarHBondContact O-CG2 3.37Å; A656-V660 PolarHBondContact O-N 3.15Å; A656-V660 VanDerWaalsContact O-N 3.09Å; E657-V660 PolarHBondContact O-N 3.01Å; V660-V663 PolarHBondContact O-N 3.37Å; V660-R664 HydrophobicContact CG1-CG 4.45Å; V660-R664 WeakPolarHBondContact O-CG 3.39Å; V660-R664 PolarHBondContact O-N 2.77Å
661M92.1Very high88.3Confident108 Ų10864.5 Ų64.553%0.53232%0.317SS..Hα-helixtrans-60.8-45.8174-74.5177.666.300112.4E657 Q658 L659 V663 R664 Q665E657-M661 WeakPolarHBondContact O-CB 3.45Å; E657-M661 VanDerWaalsContact O-CG 3.28Å; E657-M661 WeakPolarHBondContact O-CG 3.46Å; E657-M661 PolarHBondContact O-N 2.95Å; Q658-M661 PolarHBondContact O-N 2.96Å; L659-M661 VanDerWaalsContact C-N 3.26Å; L659-M661 PolarHBondContact O-N 2.93Å; M661-V663 VanDerWaalsContact C-N 3.33Å; M661-V663 PolarHBondContact O-N 3.16Å; M661-R664 PolarHBondContact O-N 3.46Å; M661-Q665 WeakPolarHBondContact O-CG 3.47Å; M661-Q665 PolarHBondContact O-N 2.81Å
662C91.2Very high87.1Confident18 Ų1865.1 Ų65.112%0.12233%0.327CS..Hα-helixtrans-60.7-42.9177.1-66.90000111.6L351 V352 Q658 L659 R664 Q665 R666L351-C662 HydrophobicContact CB-CB 4.42Å; V352-C662 HydrophobicContact CG2-CB 3.84Å; Q658-C662 PolarHBondContact O-N 3.36Å; Q658-C662 PolarHBondContact O-SG 3.31Å; L659-C662 PolarHBondContact O-N 3.09Å; L659-C662 VanDerWaalsContact O-N 3.16Å; C662-R664 PolarHBondContact O-N 2.76Å; C662-Q665 PolarHBondContact O-N 2.9Å; C662-R666 PolarHBondContact O-N 2.98Å; C662-R666 VanDerWaalsContact O-N 3.08Å
663V91.2Very high85.6Confident7 Ų768.5 Ų68.54%0.04235%0.346CS..Hα-helixtrans-62.2-43.8176.4173.50000111.5L514 L659 V660 M661 R666 Q667L514-V663 HydrophobicContact CD1-CG2 4Å; L514-V663 HydrophobicContact CD2-CG2 4.4Å; L514-V663 HydrophobicContact CG-CG1 4.15Å; L514-V663 HydrophobicContact CG-CG2 3.86Å; L514-V663 WeakPolarHBondContact O-CG1 3.49Å; L659-V663 WeakPolarHBondContact O-CG2 3.03Å; L659-V663 PolarHBondContact O-N 3.5Å; V660-V663 PolarHBondContact O-N 3.37Å; M661-V663 VanDerWaalsContact C-N 3.33Å; M661-V663 PolarHBondContact O-N 3.16Å; V663-R666 WeakPolarHBondContact O-CB 3.45Å; V663-R666 PolarHBondContact O-N 3.3Å; V663-Q667 WeakPolarHBondContact O-CG 3.46Å; V663-Q667 PolarHBondContact O-N 3.38Å; V663-Q667 VanDerWaalsContact O-N 3.13Å
664R90.8Very high83.8Confident118 Ų11873 Ų7345%0.44536%0.364SS..Hα-helixtrans-64.8-39.4176.5-72.3175.4-177171.23.6112.3E518 V660 M661 C662 R666 Q667 N668E518-R664 VanDerWaalsContact CD-NH2 3.26Å; E518-R664 IonicContact OE1-NH2 3.31Å; E518-R664 PolarHBondContact OE1-NH2 2.87Å; E518-R664 VanDerWaalsContact OE1-NH2 3.11Å; E518-R664 IonicContact OE2-CZ 3.39Å; E518-R664 IonicContact OE2-NE 2.58Å; E518-R664 IonicContact OE2-NH2 2.72Å; E518-R664 PolarHBondContact OE2-NH2 2.81Å; V660-R664 HydrophobicContact CG1-CG 4.45Å; V660-R664 WeakPolarHBondContact O-CG 3.39Å; V660-R664 PolarHBondContact O-N 2.77Å; M661-R664 PolarHBondContact O-N 3.46Å; C662-R664 PolarHBondContact O-N 2.76Å; R664-R666 VanDerWaalsContact C-N 3.3Å; R664-R666 PolarHBondContact O-N 3.33Å; R664-Q667 WeakPolarHBondContact O-CB 3.48Å; R664-Q667 PolarHBondContact O-N 2.68Å; R664-N668 PolarHBondContact O-N 2.98Å; R664-N668 VanDerWaalsContact O-N 3.13Å; R664-N668 PolarHBondContact O-ND2 2.83Å
665Q89.7Confident81.8Confident103 Ų10378.4 Ų78.448%0.48139%0.389SS..Hα-helixtrans-59.5-41.4174.6-76.2177-4.300111.8V352 M661 C662 N668 K669V352-Q665 HydrophobicContact CG1-CB 4.35Å; V352-Q665 HydrophobicContact CG2-CB 4.48Å; M661-Q665 WeakPolarHBondContact O-CG 3.47Å; M661-Q665 PolarHBondContact O-N 2.81Å; C662-Q665 PolarHBondContact O-N 2.9Å; Q665-N668 PolarHBondContact O-N 3.46Å; Q665-K669 PolarHBondContact O-N 2.84Å; Q665-K669 VanDerWaalsContact O-N 3.08Å
666R89.4Confident79.7Confident42 Ų4279.4 Ų79.416%0.15840%0.402CS..Hα-helixtrans-61.1-47.3174.4-176.3171.5162.182.56.1112.5L351 V352 S354 D355 C662 V663 R664 N668 K669 T670L351-R666 WeakPolarHBondContact O-CD 3.45Å; V352-R666 WeakPolarHBondContact O-CG 3.33Å; V352-R666 PolarHBondContact O-NH1 3.18Å; S354-R666 VanDerWaalsContact C-NH1 3.33Å; S354-R666 PolarHBondContact O-NH1 3.29Å; D355-R666 IonicContact OD1-CZ 3.92Å; D355-R666 IonicContact OD1-NH1 3.07Å; D355-R666 IonicContact OD1-NH2 3.29Å; D355-R666 PolarHBondContact OD1-NH2 2.74Å; C662-R666 PolarHBondContact O-N 2.98Å; C662-R666 VanDerWaalsContact O-N 3.08Å; V663-R666 WeakPolarHBondContact O-CB 3.45Å; V663-R666 PolarHBondContact O-N 3.3Å; R664-R666 VanDerWaalsContact C-N 3.3Å; R664-R666 PolarHBondContact O-N 3.33Å; R666-N668 PolarHBondContact O-N 3.41Å; R666-K669 WeakPolarHBondContact O-CA 3.22Å; R666-K669 WeakPolarHBondContact O-CB 3.23Å; R666-K669 PolarHBondContact O-N 2.83Å; R666-T670 HydrophobicContact CG-CG2 4.25Å; R666-T670 PolarHBondContact O-N 2.73Å; R666-T670 PolarHBondContact O-OG1 3.22Å; R666-T670 VanDerWaalsContact O-OG1 3.11Å
667Q86.5Confident77.5Confident72 Ų7282.4 Ų82.434%0.33642%0.421SS..Hα-helixtrans-55.2-42.8178.3-70.7173.9-28.700111.6V663 R664 K669 T670 N671V663-Q667 WeakPolarHBondContact O-CG 3.46Å; V663-Q667 PolarHBondContact O-N 3.38Å; V663-Q667 VanDerWaalsContact O-N 3.13Å; R664-Q667 WeakPolarHBondContact O-CB 3.48Å; R664-Q667 PolarHBondContact O-N 2.68Å; Q667-K669 VanDerWaalsContact C-N 3.32Å; Q667-K669 PolarHBondContact O-N 2.95Å; Q667-T670 PolarHBondContact O-N 3.38Å; Q667-T670 PolarHBondContact O-OG1 3.12Å; Q667-N671 PolarHBondContact O-N 3.21Å
668N83.8Confident75.3Confident82 Ų8280.9 Ų80.944%0.43942%0.424SS..Hα-helixtrans-64.2-36.9176.1-66-23.3000112.1R664 Q665 R666 Q675R664-N668 PolarHBondContact O-N 2.98Å; R664-N668 VanDerWaalsContact O-N 3.13Å; R664-N668 PolarHBondContact O-ND2 2.83Å; Q665-N668 PolarHBondContact O-N 3.46Å; R666-N668 PolarHBondContact O-N 3.41Å; N668-Q675 PolarHBondContact OD1-NE2 2.76Å
669K81.9Confident73Confident133 Ų13382 Ų8258%0.57844%0.44SS*.Hα-helixtrans-70-39.3177.5-172.8178.5178.7-178.70112.6N353 Q665 R666 Q667N353-K669 PolarHBondContact OD1-NZ 3.1Å; Q665-K669 PolarHBondContact O-N 2.84Å; Q665-K669 VanDerWaalsContact O-N 3.08Å; R666-K669 WeakPolarHBondContact O-CA 3.22Å; R666-K669 WeakPolarHBondContact O-CB 3.23Å; R666-K669 PolarHBondContact O-N 2.83Å; Q667-K669 VanDerWaalsContact C-N 3.32Å; Q667-K669 PolarHBondContact O-N 2.95Å
670T79.9Confident70.5Confident74 Ų7492.3 Ų92.345%0.45448%0.479SS..Hα-helixtrans-84.8-31-176.853.40000113.1R666 Q667 P672R666-T670 HydrophobicContact CG-CG2 4.25Å; R666-T670 PolarHBondContact O-N 2.73Å; R666-T670 PolarHBondContact O-OG1 3.22Å; R666-T670 VanDerWaalsContact O-OG1 3.11Å; Q667-T670 PolarHBondContact O-N 3.38Å; Q667-T670 PolarHBondContact O-OG1 3.12Å; T670-P672 VanDerWaalsContact C-CD 3.42Å; T670-P672 WeakPolarHBondContact O-CD 3.44Å
671N77.1Confident67.9Low85 Ų8599.6 Ų99.646%0.45551%0.511SS..  trans-122.966.5-178.7-74.1-15.6000112.5Q667 Q673 Q674Q667-N671 PolarHBondContact O-N 3.21Å; N671-Q673 PolarHBondContact O-N 2.9Å; N671-Q674 PolarHBondContact O-N 2.84Å
672P59.3Low65.4Low96 Ų96100.3 Ų100.362%0.62353%0.525SS*.G310 helixtrans-62-18.2178.923-31.7000113.6T670T670-P672 VanDerWaalsContact C-CD 3.42Å; T670-P672 WeakPolarHBondContact O-CD 3.44Å
673Q53.5Low63Low170 Ų170105.9 Ų105.979%0.79456%0.558SS**G310 helixtrans-78.4-15.7-177-71.6-179.5-11.100115.1N671N671-Q673 PolarHBondContact O-N 2.9Å
674Q50.4Low60.6Low136 Ų136108.5 Ų108.564%0.63659%0.586SS**G310 helixtrans-78.6-21.3-177.7-82.9178-15.400114.4N671 S677N671-Q674 PolarHBondContact O-N 2.84Å; Q674-S677 PolarHBondContact O-OG 2.9Å; Q674-S677 VanDerWaalsContact O-OG 3.09Å
675Q46.7Very low58.1Low117 Ų117108.9 Ų108.955%0.54760%0.602SS.*SBendtrans-87.3-19.5176.9-77.2-175.6-2.700114.1N668 S677 S678 S679N668-Q675 PolarHBondContact OD1-NE2 2.76Å; Q675-S677 PolarHBondContact O-N 3.21Å; Q675-S678 PolarHBondContact O-OG 3.49Å; Q675-S679 PolarHBondContact O-OG 3.23Å; Q675-S679 VanDerWaalsContact O-OG 3.05Å
676A47.7Very low56Low67 Ų67113.3 Ų113.355%0.55462%0.622SS**THydrogen-bonded Turntrans-71.7-19.7176.200000112.7
677S47.1Very low53.7Low90 Ų90120 Ų12063%0.62966%0.655SS**THydrogen-bonded Turntrans-91.9-19.8177.746.60000114.5Q674 Q675Q674-S677 PolarHBondContact O-OG 2.9Å; Q674-S677 VanDerWaalsContact O-OG 3.09Å; Q675-S677 PolarHBondContact O-N 3.21Å
678S45.6Very low51.3Low95 Ų95129.8 Ų129.866%0.66470%0.697SS**THydrogen-bonded Turntrans-93-6.9179.463.60000114Q675Q675-S678 PolarHBondContact O-OG 3.49Å
679S44.4Very low49.7Very low92 Ų92132.2 Ų132.264%0.64371%0.709SS**SBendtrans-102.33179.850.50000114.2Q675 E681Q675-S679 PolarHBondContact O-OG 3.23Å; Q675-S679 VanDerWaalsContact O-OG 3.05Å; S679-E681 PolarHBondContact O-N 3.13Å
680R39.9Very low48Very low218 Ų218132.2 Ų132.282%0.82372%0.716SS**  trans-93.580.4166.7-76.3-176.6174.7-176.9-1109.6
681E38.4Very low46.2Very low168 Ų168135.4 Ų135.479%0.78573%0.731SS**  trans-60.1131.2157.9-80.2-171.9157.600108.6S679 T683S679-E681 PolarHBondContact O-N 3.13Å; E681-T683 PolarHBondContact O-N 3.03Å
682P39.6Very low44.4Very low124 Ų124138.4 Ų138.481%0.80575%0.747SS**  trans-71.6105.4168.228.7-27.7000107.1G684P682-G684 PolarHBondContact O-N 3.35Å
683T40.2Very low43.5Very low134 Ų134141 Ų14182%0.82276%0.755SS**  trans-6677.8160.552.30000108.1E681 T685E681-T683 PolarHBondContact O-N 3.03Å; T683-T685 PolarHBondContact O-N 3.06Å
684G40.3Very low42.8Very low62 Ų62139.1 Ų139.164%0.63975%0.752SS**  trans-80.695.8171.700000109.1P682 H686P682-G684 PolarHBondContact O-N 3.35Å; G684-H686 PolarHBondContact O-N 3.49Å
685T39.6Very low42.3Very low127 Ų127139.3 Ų139.378%0.77976%0.761SS**  trans-49.8118.3164.541.90000111.5T683T683-T685 PolarHBondContact O-N 3.06Å
686H44.2Very low41.9Very low196 Ų196141 Ų14191%0.90778%0.777SS**  trans-116.892.2154.5-96.5-61000108.3G684G684-H686 PolarHBondContact O-N 3.49Å
687H42Very low41.5Very low182 Ų182147.2 Ų147.284%0.84380%0.796SS**  trans-94.6142.9156.2-99.1-59000108.6
688K36.2Very low40.9Very low278 Ų278152.4 Ų152.4100%1.20981%0.811SS**  trans-56.10153.5-90.2-176.4173.8179.70111

Retrieved 688 of 688 residues in 379.5 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).