A0A5K4F6A1_SCHMA Loading...

Putative uridine phosphorylase

AlphaFold DB , UniProt , Accession A0A5K4F6A1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 286 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.9Very low71.1Confident217 Ų217109.3 Ų109.3100%1.06962%0.619SS**  0124.20-69.7-179.7-165.500107.5T3M1-T3 PolarHBondContact O-N 3.22Å
2A41.5Very low73.1Confident97 Ų97101.4 Ų101.480%0.80257%0.574SS**PPolyproline II helixtrans-61.5117.8175.400000109V4A2-V4 PolarHBondContact O-N 3.19Å
3T50.2Low74.7Confident122 Ų122101.4 Ų101.475%0.74858%0.584SS**PPolyproline II helixtrans-69.4116.8168.335.60000107.3M1 Q5M1-T3 PolarHBondContact O-N 3.22Å; T3-Q5 PolarHBondContact O-N 3.24Å
4V60.7Low76.2Confident69 Ų69103.8 Ų103.842%0.41859%0.588SS.*PPolyproline II helixtrans-61.6123.2171.1179.90000106.4A2 L234A2-V4 PolarHBondContact O-N 3.19Å; V4-L234 HydrophobicContact CG1-CD2 4.3Å
5Q67.7Low77.5Confident169 Ų169102.4 Ų102.479%0.7958%0.577SS**PPolyproline II helixtrans-59.9130172.5-79.9-168-17.300108.3T3 I7T3-Q5 PolarHBondContact O-N 3.24Å; Q5-I7 PolarHBondContact O-N 2.85Å
6P78.6Confident78.7Confident75 Ų75105.8 Ų105.849%0.48759%0.594SS.*PPolyproline II helixtrans-55.2131-179.3-25.234.6000110.7V8 L234P6-V8 PolarHBondContact O-N 3.19Å; P6-L234 WeakPolarHBondContact CA-O 3.38Å
7I77.8Confident79.9Confident113 Ų113103.6 Ų103.658%0.57958%0.578SS**  trans-81.3108.1175.5-57.9177000107.6Q5 L234Q5-I7 PolarHBondContact O-N 2.85Å; I7-L234 HydrophobicContact CD1-CD2 4.16Å; I7-L234 PolarHBondContact N-O 3.2Å
8V82.6Confident80.9Confident77 Ų7798.5 Ų98.547%0.46755%0.549SS..  trans-90.1126.3169.2-179.80000108.2P6 S10 Y110P6-V8 PolarHBondContact O-N 3.19Å; V8-S10 PolarHBondContact O-N 3.04Å; V8-S10 VanDerWaalsContact O-N 3.16Å; V8-Y110 HydrophobicContact CB-CE2 4.43Å; V8-Y110 HydrophobicContact CG1-CD2 4.17Å; V8-Y110 HydrophobicContact CG1-CE2 3.42Å; V8-Y110 VanDerWaalsContact CG1-CE2 3.42Å; V8-Y110 HydrophobicContact CG2-CD2 4.45Å; V8-Y110 HydrophobicContact CG2-CE2 4.11Å
9N92.1Very high81.8Confident79 Ų7997.6 Ų97.642%0.42255%0.546SS..  trans-70.3108.4174177.115.3000109.7H11 L12N9-H11 PolarHBondContact O-N 3.49Å; N9-H11 PolarHBondContact OD1-CD2 3.33Å; N9-H11 PolarHBondContact OD1-N 3.4Å; N9-L12 HydrophobicContact CB-CD1 4.11Å; N9-L12 HydrophobicContact CB-CG 3.98Å; N9-L12 WeakPolarHBondContact O-CB 3.39Å; N9-L12 WeakPolarHBondContact O-CG 3.28Å; N9-L12 PolarHBondContact O-N 3.33Å; N9-L12 VanDerWaalsContact O-N 3.11Å
10S93.7Very high82.6Confident75 Ų7592.7 Ų92.752%0.52452%0.519SS..G310 helixtrans-60.2-26.8-177.752.30000113.5V8 L12 S13V8-S10 PolarHBondContact O-N 3.04Å; V8-S10 VanDerWaalsContact O-N 3.16Å; S10-L12 PolarHBondContact O-N 3.03Å; S10-S13 PolarHBondContact O-N 2.92Å; S10-S13 PolarHBondContact O-OG 3.18Å
11H96.5Very high83.4Confident109 Ų10994.5 Ų94.551%0.50552%0.523SS..G310 helixtrans-68.5-16179.2-59.6-62.1000113.3N9 S13 E14N9-H11 PolarHBondContact O-N 3.49Å; N9-H11 PolarHBondContact OD1-CD2 3.33Å; N9-H11 PolarHBondContact OD1-N 3.4Å; H11-S13 PolarHBondContact O-N 2.97Å; H11-E14 IonicContact CE1-OE1 3.93Å; H11-E14 IonicContact ND1-OE1 3.1Å; H11-E14 PolarHBondContact ND1-OE1 2.83Å; H11-E14 VanDerWaalsContact ND1-OE1 3.1Å; H11-E14 IonicContact ND1-OE2 3.44Å; H11-E14 PolarHBondContact ND1-OE2 2.69Å; H11-E14 WeakPolarHBondContact O-CB 3.42Å; H11-E14 PolarHBondContact O-N 3.15Å; H11-E14 VanDerWaalsContact O-N 3.14Å
12L95.4Very high86.1Confident15 Ų1586.4 Ų86.48%0.07948%0.482CS..G310 helixtrans-65.6-26.1177.2-64.2-179.7000113N9 S10 E14 L15 K107 Y110N9-L12 HydrophobicContact CB-CD1 4.11Å; N9-L12 HydrophobicContact CB-CG 3.98Å; N9-L12 WeakPolarHBondContact O-CB 3.39Å; N9-L12 WeakPolarHBondContact O-CG 3.28Å; N9-L12 PolarHBondContact O-N 3.33Å; N9-L12 VanDerWaalsContact O-N 3.11Å; S10-L12 PolarHBondContact O-N 3.03Å; L12-E14 VanDerWaalsContact C-N 3.28Å; L12-L15 HydrophobicContact CD2-CD1 4.19Å; L12-K107 HydrophobicContact CD1-CD 4.11Å; L12-K107 HydrophobicContact CD1-CG 3.99Å; L12-K107 HydrophobicContact CD2-CD 3.61Å; L12-K107 HydrophobicContact CD2-CG 4.42Å; L12-Y110 HydrophobicContact CD1-CD1 4.2Å; L12-Y110 HydrophobicContact CD1-CE1 4.3Å
13S92.8Very high88.8Confident101 Ų10181.8 Ų81.871%0.70644%0.444SS*.G310 helixtrans-79.5-10.2175.954.30000113.8S10 H11 L15S10-S13 PolarHBondContact O-N 2.92Å; S10-S13 PolarHBondContact O-OG 3.18Å; H11-S13 PolarHBondContact O-N 2.97Å; S13-L15 VanDerWaalsContact C-N 3.32Å
14E96Very high91.1Very high135 Ų13578.2 Ų78.263%0.63143%0.431SS*.G310 helixtrans-85.7-9.2176.2-60167.1-159.900111.8H11 L12H11-E14 IonicContact CE1-OE1 3.93Å; H11-E14 IonicContact ND1-OE1 3.1Å; H11-E14 PolarHBondContact ND1-OE1 2.83Å; H11-E14 VanDerWaalsContact ND1-OE1 3.1Å; H11-E14 IonicContact ND1-OE2 3.44Å; H11-E14 PolarHBondContact ND1-OE2 2.69Å; H11-E14 WeakPolarHBondContact O-CB 3.42Å; H11-E14 PolarHBondContact O-N 3.15Å; H11-E14 VanDerWaalsContact O-N 3.14Å; L12-E14 VanDerWaalsContact C-N 3.28Å
15L96.5Very high92.9Very high83 Ų8375.4 Ų75.444%0.43541%0.413SS..  trans-90.3122.3-178.3-57.9176.8000110.8L12 S13 E17 D18L12-L15 HydrophobicContact CD2-CD1 4.19Å; S13-L15 VanDerWaalsContact C-N 3.32Å; L15-E17 PolarHBondContact O-N 2.69Å; L15-D18 HydrophobicContact CD1-CB 3.85Å
16D96.9Very high94.4Very high157 Ų15768.4 Ų68.484%0.8438%0.382SS*.SBendtrans-64.4-29.7167.4-69.3-32.3000111.9
17E97.9Very high95.3Very high68 Ų6866.4 Ų66.432%0.31837%0.369SS..SBendtrans-152.4129.4179.5-178.2167.3-167.200109.2L15 T26 K28L15-E17 PolarHBondContact O-N 2.69Å; E17-T26 HydrophobicContact CG-CG2 4.35Å; E17-T26 WeakPolarHBondContact OE1-CB 3.29Å; E17-T26 WeakPolarHBondContact OE1-CG2 3.29Å; E17-T26 PolarHBondContact OE1-OG1 3.5Å; E17-K28 HydrophobicContact CB-CD 4.44Å; E17-K28 HydrophobicContact CB-CG 4.49Å; E17-K28 HydrophobicContact CG-CD 4.22Å; E17-K28 HydrophobicContact CG-CG 4.05Å; E17-K28 WeakPolarHBondContact OE2-CD 3.43Å; E17-K28 WeakPolarHBondContact OE2-CE 3.31Å; E17-K28 IonicContact OE2-NZ 2.78Å; E17-K28 PolarHBondContact OE2-NZ 2.87Å
18D98Very high96.3Very high12 Ų1267.5 Ų67.56%0.06437%0.369CS..  trans-104.4127.8175.3-172.911.4000109.4L15 T26 T27 K107 Y111L15-D18 HydrophobicContact CD1-CB 3.85Å; D18-T26 CarbonylContact O-C 3.51Å; D18-T26 VanDerWaalsContact O-CA 3.25Å; D18-T26 WeakPolarHBondContact O-CA 3.46Å; D18-T26 WeakPolarHBondContact O-CB 3.34Å; D18-T27 HydrophobicContact CB-CG2 3.83Å; D18-T27 PolarHBondContact N-OG1 2.8Å; D18-T27 PolarHBondContact O-N 3.27Å; D18-K107 IonicContact OD1-NZ 3.54Å; D18-K107 PolarHBondContact OD1-NZ 2.89Å; D18-K107 VanDerWaalsContact OD2-CD 3.29Å; D18-K107 WeakPolarHBondContact OD2-CD 3.28Å; D18-K107 VanDerWaalsContact OD2-CE 3.25Å; D18-K107 WeakPolarHBondContact OD2-CE 3.16Å; D18-K107 IonicContact OD2-NZ 2.73Å; D18-K107 PolarHBondContact OD2-NZ 2.85Å; D18-Y111 HydrophobicContact CB-CE2 3.96Å; D18-Y111 WeakPolarHBondContact CB-OH 3.41Å; D18-Y111 WeakPolarHBondContact OD2-CE2 3.49Å; D18-Y111 PolarHBondContact OD2-OH 3.08Å
19V98.2Very high97Very high81 Ų8166.6 Ų66.649%0.49137%0.367SS..EExtended strand (participates in β ladder)trans-98.6118.9-175.7-178.30000109H21 T26V19-H21 VanDerWaalsContact C-N 3.31Å; V19-H21 PolarHBondContact O-N 2.98Å; V19-H21 VanDerWaalsContact O-N 3.12Å; V19-T26 HydrophobicContact CB-CG2 4.34Å; V19-T26 HydrophobicContact CG1-CG2 4.26Å; V19-T26 HydrophobicContact CG2-CG2 3.91Å
20F98.5Very high97.2Very high0 Ų065.8 Ų65.80%036%0.359CS..EExtended strand (participates in β ladder)trans-85.278.4170.9-62.5-95.5000108H22 F23 G24 F25 T27 F32 E104 K107 L108 Y111F20-H22 VanDerWaalsContact C-N 3.25Å; F20-H22 PolarHBondContact O-N 2.89Å; F20-F23 HydrophobicContact CB-CB 4.16Å; F20-F23 HydrophobicContact CB-CD2 4.44Å; F20-F23 CarbonylContact O-C 3.54Å; F20-F23 PolarHBondContact O-N 3.14Å; F20-F23 VanDerWaalsContact O-N 3.17Å; F20-G24 PolarHBondContact O-N 3.47Å; F20-F25 WeakPolarHBondContact CA-O 3.28Å; F20-F25 HydrophobicContact CB-CD2 3.89Å; F20-F25 HydrophobicContact CB-CE2 3.76Å; F20-F25 HydrophobicContact CB-CZ 4.43Å; F20-F25 WeakPolarHBondContact CB-O 3.15Å; F20-F25 HydrophobicContact CD1-CE2 4.25Å; F20-F25 AromaticContact CD2-CD2 3.77Å; F20-F25 HydrophobicContact CD2-CD2 3.77Å; F20-F25 AromaticContact CD2-CE2 3.69Å; F20-F25 HydrophobicContact CD2-CE2 3.69Å; F20-F25 HydrophobicContact CE2-CE2 4.37Å; F20-F25 AromaticContact CG-CD2 3.99Å; F20-F25 HydrophobicContact CG-CD2 3.99Å; F20-F25 AromaticContact CG-CE2 3.62Å; F20-F25 HydrophobicContact CG-CE2 3.62Å; F20-F25 PolarHBondContact N-O 3.36Å; F20-T27 HydrophobicContact CE2-CG2 3.97Å; F20-F32 HydrophobicContact CD2-CZ 4.15Å; F20-F32 AromaticContact CE2-CE1 3.66Å; F20-F32 HydrophobicContact CE2-CE1 3.66Å; F20-F32 AromaticContact CE2-CZ 3.57Å; F20-F32 HydrophobicContact CE2-CZ 3.57Å; F20-F32 AromaticContact CZ-CE1 3.73Å; F20-F32 HydrophobicContact CZ-CE1 3.73Å; F20-F32 HydrophobicContact CZ-CZ 4.14Å; F20-E104 HydrophobicContact CD1-CB 3.91Å; F20-E104 HydrophobicContact CD1-CG 4.13Å; F20-E104 WeakPolarHBondContact CE1-O 3.39Å; F20-K107 HydrophobicContact CE1-CB 3.77Å; F20-K107 HydrophobicContact CZ-CB 4.15Å; F20-L108 HydrophobicContact CE1-CB 3.91Å; F20-L108 HydrophobicContact CZ-CB 4.25Å; F20-Y111 HydrophobicContact CE2-CD2 4.48Å; F20-Y111 AromaticContact CZ-CD2 3.87Å; F20-Y111 HydrophobicContact CZ-CD2 3.87Å; F20-Y111 HydrophobicContact CZ-CE2 4.08Å
21H98.3Very high97.4Very high131 Ų13166.7 Ų66.761%0.60636%0.358SS*.THydrogen-bonded Turntrans-55.6-39.4-170.3-178.772.7000112.9V19 E104V19-H21 VanDerWaalsContact C-N 3.31Å; V19-H21 PolarHBondContact O-N 2.98Å; V19-H21 VanDerWaalsContact O-N 3.12Å; H21-E104 PolarHBondContact N-OE1 3.12Å; H21-E104 VanDerWaalsContact N-OE1 3.16Å
22H98.6Very high97.5Very high47 Ų4762 Ų6222%0.21834%0.336CS..THydrogen-bonded Turntrans-84.7-17.5-175.2-57.681.6000112.8F20 A76 R77 F78 I100 E104F20-H22 VanDerWaalsContact C-N 3.25Å; F20-H22 PolarHBondContact O-N 2.89Å; H22-A76 WeakPolarHBondContact O-CB 3.42Å; H22-R77 HydrophobicContact CB-CB 4.21Å; H22-R77 HydrophobicContact CB-CG 4.46Å; H22-R77 PolarHBondContact O-N 3.32Å; H22-F78 HydrophobicContact CB-CD2 3.86Å; H22-F78 HydrophobicContact CB-CE2 3.98Å; H22-F78 PolarHBondContact O-N 3.48Å; H22-I100 HydrophobicContact CB-CG2 3.97Å; H22-I100 VanDerWaalsContact CD2-CG2 3.45Å; H22-I100 WeakPolarHBondContact CD2-CG2 3.43Å; H22-I100 VanDerWaalsContact CE1-CG2 3.46Å; H22-I100 WeakPolarHBondContact CE1-CG2 3.42Å; H22-I100 VanDerWaalsContact ND1-CG2 3.32Å; H22-I100 WeakPolarHBondContact ND1-CG2 3.42Å; H22-E104 WeakPolarHBondContact CB-OE1 3.48Å; H22-E104 IonicContact CE1-OE1 2.66Å; H22-E104 IonicContact CG-OE1 2.94Å; H22-E104 PolarHBondContact N-OE1 2.74Å; H22-E104 PolarHBondContact N-OE2 2.75Å; H22-E104 IonicContact ND1-OE1 3.93Å; H22-E104 PolarHBondContact ND1-OE1 3.34Å
23F98.7Very high97.6Very high0 Ų068.2 Ų68.20%036%0.363CS..THydrogen-bonded Turntrans-95.9-13167.5-71.9-61.3000115F20 F25 A72 G73 A76 F78 L80 A89 L101 E104 V105F20-F23 HydrophobicContact CB-CB 4.16Å; F20-F23 HydrophobicContact CB-CD2 4.44Å; F20-F23 CarbonylContact O-C 3.54Å; F20-F23 PolarHBondContact O-N 3.14Å; F20-F23 VanDerWaalsContact O-N 3.17Å; F23-F25 HydrophobicContact CB-CD1 3.85Å; F23-F25 HydrophobicContact CB-CE1 3.37Å; F23-F25 HydrophobicContact CB-CE2 4.34Å; F23-F25 HydrophobicContact CB-CZ 3.62Å; F23-F25 HydrophobicContact CD2-CZ 4.15Å; F23-F25 HydrophobicContact CG-CE1 4.01Å; F23-F25 HydrophobicContact CG-CZ 4Å; F23-A72 HydrophobicContact CD1-CB 4.13Å; F23-A72 CarbonylContact O-C 3.59Å; F23-A72 VanDerWaalsContact O-CA 3.28Å; F23-A72 WeakPolarHBondContact O-CA 3.41Å; F23-A72 WeakPolarHBondContact O-CB 3.37Å; F23-G73 PolarHBondContact O-N 2.98Å; F23-A76 VanDerWaalsContact C-CB 3.5Å; F23-A76 WeakPolarHBondContact O-CB 3.44Å; F23-F78 HydrophobicContact CD1-CB 4.02Å; F23-F78 HydrophobicContact CE1-CB 3.73Å; F23-L80 HydrophobicContact CD1-CB 3.98Å; F23-L80 HydrophobicContact CE1-CB 3.84Å; F23-L80 HydrophobicContact CE1-CD1 3.98Å; F23-L80 HydrophobicContact CE1-CD2 4.46Å; F23-L80 HydrophobicContact CE1-CG 4.32Å; F23-L80 HydrophobicContact CZ-CD1 4.05Å; F23-A89 HydrophobicContact CE1-CB 4.28Å; F23-A89 HydrophobicContact CZ-CB 4.24Å; F23-L101 HydrophobicContact CE1-CD1 4.01Å; F23-L101 HydrophobicContact CE2-CD1 4.1Å; F23-L101 HydrophobicContact CZ-CD1 3.34Å; F23-E104 HydrophobicContact CD2-CB 3.81Å; F23-E104 VanDerWaalsContact CD2-OE2 3.25Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.08Å; F23-E104 HydrophobicContact CE2-CB 3.75Å; F23-E104 PolarHBondContact N-OE2 3.43Å; F23-E104 VanDerWaalsContact N-OE2 3.12Å; F23-V105 HydrophobicContact CE2-CG2 3.69Å; F23-V105 HydrophobicContact CZ-CG2 3.61Å
24G98.3Very high97.9Very high46 Ų4671.2 Ų71.247%0.47437%0.366SS..THydrogen-bonded Turntrans72.631.5175.400000115.3F20F20-G24 PolarHBondContact O-N 3.47Å
25F98.5Very high98Very high10 Ų1068.5 Ų68.54%0.04435%0.352CS..EExtended strand (participates in β ladder)trans-142.5176.6172.356.7-111.6000111.5F20 F23 F30 F32 I71 L80 L108F20-F25 WeakPolarHBondContact CA-O 3.28Å; F20-F25 HydrophobicContact CB-CD2 3.89Å; F20-F25 HydrophobicContact CB-CE2 3.76Å; F20-F25 HydrophobicContact CB-CZ 4.43Å; F20-F25 WeakPolarHBondContact CB-O 3.15Å; F20-F25 HydrophobicContact CD1-CE2 4.25Å; F20-F25 AromaticContact CD2-CD2 3.77Å; F20-F25 HydrophobicContact CD2-CD2 3.77Å; F20-F25 AromaticContact CD2-CE2 3.69Å; F20-F25 HydrophobicContact CD2-CE2 3.69Å; F20-F25 HydrophobicContact CE2-CE2 4.37Å; F20-F25 AromaticContact CG-CD2 3.99Å; F20-F25 HydrophobicContact CG-CD2 3.99Å; F20-F25 AromaticContact CG-CE2 3.62Å; F20-F25 HydrophobicContact CG-CE2 3.62Å; F20-F25 PolarHBondContact N-O 3.36Å; F23-F25 HydrophobicContact CB-CD1 3.85Å; F23-F25 HydrophobicContact CB-CE1 3.37Å; F23-F25 HydrophobicContact CB-CE2 4.34Å; F23-F25 HydrophobicContact CB-CZ 3.62Å; F23-F25 HydrophobicContact CD2-CZ 4.15Å; F23-F25 HydrophobicContact CG-CE1 4.01Å; F23-F25 HydrophobicContact CG-CZ 4Å; F25-F30 HydrophobicContact CB-CE2 3.94Å; F25-F30 HydrophobicContact CB-CZ 4.36Å; F25-F30 AromaticContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CZ 4.41Å; F25-F30 HydrophobicContact CD2-CD2 4.46Å; F25-F30 AromaticContact CD2-CE2 3.94Å; F25-F30 HydrophobicContact CD2-CE2 3.94Å; F25-F30 HydrophobicContact CE1-CE2 4.36Å; F25-F30 HydrophobicContact CE2-CE2 4.44Å; F25-F30 AromaticContact CG-CE2 3.67Å; F25-F30 HydrophobicContact CG-CE2 3.67Å; F25-F30 HydrophobicContact CG-CZ 4.39Å; F25-F32 HydrophobicContact CD2-CZ 4.17Å; F25-F32 HydrophobicContact CE2-CE1 4.49Å; F25-F32 AromaticContact CE2-CZ 3.99Å; F25-F32 HydrophobicContact CE2-CZ 3.99Å; F25-I71 HydrophobicContact CE1-CG2 4.35Å; F25-L80 HydrophobicContact CE1-CD2 3.83Å; F25-L80 HydrophobicContact CZ-CD2 3.81Å; F25-L108 HydrophobicContact CE2-CD1 4.29Å; F25-L108 HydrophobicContact CZ-CD1 3.97Å
26T98.5Very high98.1Very high23 Ų2364.5 Ų64.514%0.14133%0.331CS..EExtended strand (participates in β ladder)trans-132.5171.4-178.175.40000111.7E17 D18 V19 K28 S29 F32E17-T26 HydrophobicContact CG-CG2 4.35Å; E17-T26 WeakPolarHBondContact OE1-CB 3.29Å; E17-T26 WeakPolarHBondContact OE1-CG2 3.29Å; E17-T26 PolarHBondContact OE1-OG1 3.5Å; D18-T26 CarbonylContact O-C 3.51Å; D18-T26 VanDerWaalsContact O-CA 3.25Å; D18-T26 WeakPolarHBondContact O-CA 3.46Å; D18-T26 WeakPolarHBondContact O-CB 3.34Å; V19-T26 HydrophobicContact CB-CG2 4.34Å; V19-T26 HydrophobicContact CG1-CG2 4.26Å; V19-T26 HydrophobicContact CG2-CG2 3.91Å; T26-K28 PolarHBondContact O-N 3.23Å; T26-K28 VanDerWaalsContact O-N 3.12Å; T26-K28 PolarHBondContact OG1-N 2.76Å; T26-K28 VanDerWaalsContact OG1-N 3.14Å; T26-S29 PolarHBondContact N-OG 2.9Å; T26-S29 WeakPolarHBondContact O-CB 3.45Å; T26-S29 PolarHBondContact O-N 2.72Å; T26-S29 PolarHBondContact O-OG 3.26Å; T26-S29 PolarHBondContact OG1-OG 3.34Å; T26-F32 WeakPolarHBondContact O-CE2 3.43Å
27T98Very high98.2Very high33 Ų3358.6 Ų58.620%0.20231%0.307CS..THydrogen-bonded Turntrans-60.1-15.9171.5510000114.2D18 F20 Y111D18-T27 HydrophobicContact CB-CG2 3.83Å; D18-T27 PolarHBondContact N-OG1 2.8Å; D18-T27 PolarHBondContact O-N 3.27Å; F20-T27 HydrophobicContact CE2-CG2 3.97Å; T27-Y111 HydrophobicContact CG2-CD1 4.21Å; T27-Y111 HydrophobicContact CG2-CD2 3.76Å; T27-Y111 HydrophobicContact CG2-CE1 4.18Å; T27-Y111 HydrophobicContact CG2-CE2 3.73Å; T27-Y111 HydrophobicContact CG2-CG 4.01Å
28K98Very high98.2Very high136 Ų13657.7 Ų57.759%0.59130%0.304SS*.THydrogen-bonded Turntrans-92.4-8.9174.2-64.5-172.7-172.3145.80113.9E17 T26 F30E17-K28 HydrophobicContact CB-CD 4.44Å; E17-K28 HydrophobicContact CB-CG 4.49Å; E17-K28 HydrophobicContact CG-CD 4.22Å; E17-K28 HydrophobicContact CG-CG 4.05Å; E17-K28 WeakPolarHBondContact OE2-CD 3.43Å; E17-K28 WeakPolarHBondContact OE2-CE 3.31Å; E17-K28 IonicContact OE2-NZ 2.78Å; E17-K28 PolarHBondContact OE2-NZ 2.87Å; T26-K28 PolarHBondContact O-N 3.23Å; T26-K28 VanDerWaalsContact O-N 3.12Å; T26-K28 PolarHBondContact OG1-N 2.76Å; T26-K28 VanDerWaalsContact OG1-N 3.14Å; K28-F30 VanDerWaalsContact C-N 3.31Å
29S97.8Very high98.2Very high58 Ų5857.2 Ų57.241%0.40630%0.301SS..THydrogen-bonded Turntrans-71.3-27.3179.2-56.10000112.8T26T26-S29 PolarHBondContact N-OG 2.9Å; T26-S29 WeakPolarHBondContact O-CB 3.45Å; T26-S29 PolarHBondContact O-N 2.72Å; T26-S29 PolarHBondContact O-OG 3.26Å; T26-S29 PolarHBondContact OG1-OG 3.34Å
30F95.9Very high98.3Very high61 Ų6158.5 Ų58.527%0.26830%0.3SS..SBendtrans-145.1158.6-175.3-44.9-63.5000111.2F25 K28 F32 K35 F36 I71F25-F30 HydrophobicContact CB-CE2 3.94Å; F25-F30 HydrophobicContact CB-CZ 4.36Å; F25-F30 AromaticContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CE2 3.9Å; F25-F30 HydrophobicContact CD1-CZ 4.41Å; F25-F30 HydrophobicContact CD2-CD2 4.46Å; F25-F30 AromaticContact CD2-CE2 3.94Å; F25-F30 HydrophobicContact CD2-CE2 3.94Å; F25-F30 HydrophobicContact CE1-CE2 4.36Å; F25-F30 HydrophobicContact CE2-CE2 4.44Å; F25-F30 AromaticContact CG-CE2 3.67Å; F25-F30 HydrophobicContact CG-CE2 3.67Å; F25-F30 HydrophobicContact CG-CZ 4.39Å; K28-F30 VanDerWaalsContact C-N 3.31Å; F30-F32 HydrophobicContact CB-CD2 4.12Å; F30-F32 HydrophobicContact CB-CE2 4.19Å; F30-F32 AromaticContact CD2-CE2 3.96Å; F30-F32 HydrophobicContact CD2-CE2 3.96Å; F30-F32 HydrophobicContact CD2-CZ 4.44Å; F30-F32 WeakPolarHBondContact O-CD2 3.31Å; F30-F32 PolarHBondContact O-N 2.97Å; F30-K35 HydrophobicContact CB-CD 3.78Å; F30-K35 HydrophobicContact CD1-CD 3.71Å; F30-K35 HydrophobicContact CD2-CD 4.1Å; F30-K35 HydrophobicContact CE1-CD 4.34Å; F30-K35 HydrophobicContact CG-CD 3.58Å; F30-F36 HydrophobicContact CD2-CE2 4.14Å; F30-F36 HydrophobicContact CD2-CZ 4.46Å; F30-I71 HydrophobicContact CE2-CG2 4.13Å; F30-I71 HydrophobicContact CZ-CG2 3.95Å
31D98.1Very high98.3Very high94 Ų9459.2 Ų59.250%0.50330%0.304SS..  trans-74.8106.2152.1-174.2-34.4000108.2K33 E34 K35D31-K33 VanDerWaalsContact C-N 3.32Å; D31-K33 PolarHBondContact O-N 3.02Å; D31-K33 WeakPolarHBondContact OD1-CB 3.48Å; D31-K33 PolarHBondContact OD1-N 3.23Å; D31-E34 HydrophobicContact CB-CB 3.96Å; D31-E34 PolarHBondContact OD1-N 3.42Å; D31-K35 WeakPolarHBondContact O-CB 3.2Å; D31-K35 PolarHBondContact O-N 3.4Å
32F98.3Very high98.3Very high10 Ų1053 Ų534%0.04428%0.275CS..Hα-helixtrans-66.6-33.7-176.5-85.4-124.8000112.5F20 F25 T26 F30 F36 L108 A112F20-F32 HydrophobicContact CD2-CZ 4.15Å; F20-F32 AromaticContact CE2-CE1 3.66Å; F20-F32 HydrophobicContact CE2-CE1 3.66Å; F20-F32 AromaticContact CE2-CZ 3.57Å; F20-F32 HydrophobicContact CE2-CZ 3.57Å; F20-F32 AromaticContact CZ-CE1 3.73Å; F20-F32 HydrophobicContact CZ-CE1 3.73Å; F20-F32 HydrophobicContact CZ-CZ 4.14Å; F25-F32 HydrophobicContact CD2-CZ 4.17Å; F25-F32 HydrophobicContact CE2-CE1 4.49Å; F25-F32 AromaticContact CE2-CZ 3.99Å; F25-F32 HydrophobicContact CE2-CZ 3.99Å; T26-F32 WeakPolarHBondContact O-CE2 3.43Å; F30-F32 HydrophobicContact CB-CD2 4.12Å; F30-F32 HydrophobicContact CB-CE2 4.19Å; F30-F32 AromaticContact CD2-CE2 3.96Å; F30-F32 HydrophobicContact CD2-CE2 3.96Å; F30-F32 HydrophobicContact CD2-CZ 4.44Å; F30-F32 WeakPolarHBondContact O-CD2 3.31Å; F30-F32 PolarHBondContact O-N 2.97Å; F32-F36 HydrophobicContact CB-CD2 4.43Å; F32-F36 HydrophobicContact CD1-CD2 4.16Å; F32-F36 HydrophobicContact CD1-CE2 4.39Å; F32-F36 HydrophobicContact CG-CD2 4.25Å; F32-F36 WeakPolarHBondContact O-CB 3.48Å; F32-F36 PolarHBondContact O-N 3.04Å; F32-L108 HydrophobicContact CD1-CB 4.49Å; F32-L108 HydrophobicContact CD1-CG 4.01Å; F32-L108 HydrophobicContact CE1-CB 4.09Å; F32-L108 HydrophobicContact CE1-CD1 4.4Å; F32-L108 HydrophobicContact CE1-CG 3.78Å; F32-A112 HydrophobicContact CB-CB 4.36Å; F32-A112 VanDerWaalsContact O-CB 3.28Å; F32-A112 WeakPolarHBondContact O-CB 3.32Å
33K98.3Very high98.3Very high147 Ų14750.8 Ų50.864%0.63927%0.265SS*.Hα-helixtrans-70.6-45.3-179.5-69180-179.6173.50110.3D31 G37D31-K33 VanDerWaalsContact C-N 3.32Å; D31-K33 PolarHBondContact O-N 3.02Å; D31-K33 WeakPolarHBondContact OD1-CB 3.48Å; D31-K33 PolarHBondContact OD1-N 3.23Å; K33-G37 WeakPolarHBondContact O-CA 3.42Å; K33-G37 PolarHBondContact O-N 3.48Å
34E98.4Very high98.3Very high164 Ų16450.8 Ų50.877%0.76627%0.265SS*.Hα-helixtrans-65.2-47176.5-172.4-174165.500111.2D31D31-E34 HydrophobicContact CB-CB 3.96Å; D31-E34 PolarHBondContact OD1-N 3.42Å
35K98.3Very high98.3Very high77 Ų7748.7 Ų48.734%0.33524%0.243SC..Hα-helixtrans-75.5-34.1-172.2-170.2174.2179.668.80113.9F30 D31 K82F30-K35 HydrophobicContact CB-CD 3.78Å; F30-K35 HydrophobicContact CD1-CD 3.71Å; F30-K35 HydrophobicContact CD2-CD 4.1Å; F30-K35 HydrophobicContact CE1-CD 4.34Å; F30-K35 HydrophobicContact CG-CD 3.58Å; D31-K35 WeakPolarHBondContact O-CB 3.2Å; D31-K35 PolarHBondContact O-N 3.4Å; K35-K82 WeakPolarHBondContact O-CD 3.5Å; K35-K82 WeakPolarHBondContact O-CE 3.34Å
36F98.6Very high98.3Very high0 Ų049.6 Ų49.60%026%0.255CS..Hα-helixtrans-129-6.2-170.5-53.4-70000114.5F30 F32 D38 V39 I71 K82 L87 L108 A112 C114F30-F36 HydrophobicContact CD2-CE2 4.14Å; F30-F36 HydrophobicContact CD2-CZ 4.46Å; F32-F36 HydrophobicContact CB-CD2 4.43Å; F32-F36 HydrophobicContact CD1-CD2 4.16Å; F32-F36 HydrophobicContact CD1-CE2 4.39Å; F32-F36 HydrophobicContact CG-CD2 4.25Å; F32-F36 WeakPolarHBondContact O-CB 3.48Å; F32-F36 PolarHBondContact O-N 3.04Å; F36-D38 PolarHBondContact O-N 3.01Å; F36-V39 HydrophobicContact CB-CG2 4.3Å; F36-V39 WeakPolarHBondContact O-CB 3.43Å; F36-V39 VanDerWaalsContact O-CG2 3.25Å; F36-V39 WeakPolarHBondContact O-CG2 3.48Å; F36-V39 PolarHBondContact O-N 3.02Å; F36-I71 HydrophobicContact CE1-CD1 4.08Å; F36-I71 HydrophobicContact CZ-CG2 4.17Å; F36-K82 HydrophobicContact CD1-CD 4.08Å; F36-K82 HydrophobicContact CE1-CD 4.5Å; F36-L87 HydrophobicContact CD1-CD1 4.02Å; F36-L87 HydrophobicContact CE1-CD1 4.01Å; F36-L108 HydrophobicContact CB-CD2 3.93Å; F36-L108 HydrophobicContact CD1-CD2 4.2Å; F36-L108 HydrophobicContact CD2-CD1 4.38Å; F36-L108 HydrophobicContact CD2-CD2 3.94Å; F36-L108 HydrophobicContact CD2-CG 4.14Å; F36-L108 HydrophobicContact CE1-CD1 4.44Å; F36-L108 HydrophobicContact CE2-CD1 4.1Å; F36-L108 HydrophobicContact CE2-CD2 4.47Å; F36-L108 HydrophobicContact CE2-CG 4.29Å; F36-L108 HydrophobicContact CG-CD2 3.78Å; F36-L108 HydrophobicContact CG-CG 4.46Å; F36-L108 HydrophobicContact CZ-CD1 4.13Å; F36-A112 HydrophobicContact CB-CB 3.71Å; F36-C114 PolarHBondContact O-SG 2.95Å
37G98.4Very high98.2Very high32 Ų3250.8 Ų50.833%0.3327%0.265SS..THydrogen-bonded Turntrans-62.3-18.6-173.500000114.7K33 A112K33-G37 WeakPolarHBondContact O-CA 3.42Å; K33-G37 PolarHBondContact O-N 3.48Å; G37-A112 WeakPolarHBondContact CA-O 3.39Å
38D98.5Very high98.2Very high50 Ų5051.8 Ų51.827%0.26727%0.273SS..THydrogen-bonded Turntrans-87.4-4.6176.672.7-45.1000114F36 K40 K82 H85F36-D38 PolarHBondContact O-N 3.01Å; D38-K40 PolarHBondContact O-N 3.36Å; D38-K82 WeakPolarHBondContact OD1-CE 3.45Å; D38-K82 IonicContact OD1-NZ 2.59Å; D38-K82 PolarHBondContact OD1-NZ 3.4Å; D38-K82 IonicContact OD2-NZ 2.98Å; D38-K82 PolarHBondContact OD2-NZ 2.97Å; D38-H85 WeakPolarHBondContact O-CB 3.37Å; D38-H85 PolarHBondContact O-ND1 2.96Å; D38-H85 IonicContact OD2-CE1 2.78Å; D38-H85 PolarHBondContact OD2-CE1 3.41Å; D38-H85 IonicContact OD2-CG 3.59Å; D38-H85 IonicContact OD2-ND1 2.81Å; D38-H85 PolarHBondContact OD2-ND1 3.03Å
39V98.8Very high98.2Very high1 Ų147 Ų471%0.00626%0.262CS..  trans-63.5125.9-179.5172.90000110.8F36 F41 V42 K82 L87 L109 V117F36-V39 HydrophobicContact CB-CG2 4.3Å; F36-V39 WeakPolarHBondContact O-CB 3.43Å; F36-V39 VanDerWaalsContact O-CG2 3.25Å; F36-V39 WeakPolarHBondContact O-CG2 3.48Å; F36-V39 PolarHBondContact O-N 3.02Å; V39-F41 WeakPolarHBondContact CG1-O 3.46Å; V39-V42 HydrophobicContact CG1-CG2 4.14Å; V39-K82 HydrophobicContact CG2-CD 4.46Å; V39-L87 HydrophobicContact CG1-CB 4.07Å; V39-L87 HydrophobicContact CG2-CB 4.38Å; V39-L109 HydrophobicContact CB-CD2 4.23Å; V39-L109 HydrophobicContact CG1-CD2 3.89Å; V39-V117 HydrophobicContact CG1-CG1 4.34Å
40K98.7Very high98.2Very high108 Ų10846.1 Ų46.147%0.4725%0.249SC..  trans-116.7-22.2175-64.7-58.3-174.6-176.50113.2D38 H85 L118D38-K40 PolarHBondContact O-N 3.36Å; K40-H85 HydrophobicContact CB-CB 4.4Å; K40-H85 HydrophobicContact CG-CB 4.44Å; K40-H85 PolarHBondContact N-O 2.88Å; K40-L118 PolarHBondContact O-N 2.98Å
41F98.9Very high98.3Very high16 Ų1643.2 Ų43.27%0.0724%0.237CC..EExtended strand (participates in β ladder)trans-130.9142.7-178.4-55.7-83.7000111V39 H85 I86 L87 L118 I120 Y276 L277 N280V39-F41 WeakPolarHBondContact CG1-O 3.46Å; F41-H85 PolarHBondContact N-O 3.46Å; F41-H85 VanDerWaalsContact N-O 3.12Å; F41-I86 HydrophobicContact CB-CB 4.49Å; F41-I86 HydrophobicContact CB-CG1 4.1Å; F41-I86 HydrophobicContact CB-CG2 4.24Å; F41-I86 HydrophobicContact CD2-CG1 4.31Å; F41-I86 WeakPolarHBondContact O-CA 3.3Å; F41-L87 PolarHBondContact O-N 3.22Å; F41-L118 WeakPolarHBondContact CA-O 3.39Å; F41-L118 HydrophobicContact CD1-CB 3.94Å; F41-L118 HydrophobicContact CD1-CD2 4.05Å; F41-L118 HydrophobicContact CD1-CG 4.38Å; F41-L118 HydrophobicContact CE1-CB 4.27Å; F41-L118 HydrophobicContact CE1-CD2 3.98Å; F41-I120 HydrophobicContact CD1-CD1 4.23Å; F41-Y276 HydrophobicContact CE1-CE1 4.22Å; F41-L277 HydrophobicContact CB-CD2 3.76Å; F41-L277 HydrophobicContact CD1-CD2 3.56Å; F41-L277 HydrophobicContact CD2-CD2 3.8Å; F41-L277 HydrophobicContact CE1-CD2 4.08Å; F41-L277 HydrophobicContact CE2-CD2 4.29Å; F41-L277 HydrophobicContact CG-CD2 3.4Å; F41-L277 VanDerWaalsContact CG-CD2 3.4Å; F41-L277 HydrophobicContact CZ-CD2 4.41Å; F41-N280 WeakPolarHBondContact CE2-O 3.38Å; F41-N280 HydrophobicContact CZ-CB 4.09Å; F41-N280 VanDerWaalsContact CZ-O 3.3Å; F41-N280 WeakPolarHBondContact CZ-O 3.41Å
42V98.9Very high98.3Very high0 Ų041.4 Ų41.40%023%0.225CC..EExtended strand (participates in β ladder)trans-126.2111.4170.9179.60000108.8V39 V44 L87 V105 L109 V117 L118 F119 I120V39-V42 HydrophobicContact CG1-CG2 4.14Å; V42-V44 HydrophobicContact CG1-CG1 3.83Å; V42-L87 CarbonylContact C-O 3.52Å; V42-L87 WeakPolarHBondContact CA-O 3.39Å; V42-L87 HydrophobicContact CG2-CB 4.08Å; V42-L87 HydrophobicContact CG2-CD2 4.49Å; V42-V105 HydrophobicContact CG1-CG1 4.16Å; V42-V105 HydrophobicContact CG2-CG1 4.32Å; V42-L109 HydrophobicContact CG2-CD1 4.23Å; V42-V117 HydrophobicContact CG2-CG1 3.65Å; V42-L118 PolarHBondContact N-O 3.21Å; V42-F119 HydrophobicContact CB-CD1 3.82Å; V42-F119 HydrophobicContact CB-CD2 4.41Å; V42-F119 HydrophobicContact CB-CE1 3.9Å; V42-F119 HydrophobicContact CB-CE2 4.46Å; V42-F119 HydrophobicContact CB-CG 4.1Å; V42-F119 HydrophobicContact CB-CZ 4.23Å; V42-F119 HydrophobicContact CG1-CD1 3.82Å; V42-F119 HydrophobicContact CG1-CE1 3.74Å; V42-F119 HydrophobicContact CG1-CZ 4.42Å; V42-F119 HydrophobicContact CG2-CE1 4.18Å; V42-F119 HydrophobicContact CG2-CE2 4.24Å; V42-F119 HydrophobicContact CG2-CZ 4.04Å; V42-F119 CarbonylContact O-C 3.59Å; V42-F119 WeakPolarHBondContact O-CA 3.31Å; V42-I120 PolarHBondContact O-N 2.76Å
43C98.9Very high98.3Very high0 Ų046 Ų460%025%0.25CS..EExtended strand (participates in β ladder)trans-95.7129.1177.1-66.80000110.5I51 F54 I86 L87 F88 A89 I120 L122C43-I51 HydrophobicContact CB-CD1 4.28Å; C43-F54 HydrophobicContact CB-CD1 4.25Å; C43-F54 HydrophobicContact CB-CE1 3.97Å; C43-I86 HydrophobicContact CB-CG2 4.42Å; C43-L87 PolarHBondContact N-O 3.36Å; C43-F88 HydrophobicContact CB-CD1 3.88Å; C43-F88 HydrophobicContact CB-CE1 4.19Å; C43-F88 WeakPolarHBondContact O-CA 3.41Å; C43-A89 PolarHBondContact O-N 3.36Å; C43-A89 VanDerWaalsContact O-N 3.1Å; C43-I120 WeakPolarHBondContact CA-O 3.48Å; C43-L122 HydrophobicContact CB-CD1 4.29Å
44V98.8Very high98.3Very high0 Ų039.7 Ų39.70%022%0.223CC..EExtended strand (participates in β ladder)trans-134146.4-177.2-57.30000112.7V42 A89 L101 I120 R121 L122 I228V42-V44 HydrophobicContact CG1-CG1 3.83Å; V44-A89 WeakPolarHBondContact CA-O 3.47Å; V44-A89 HydrophobicContact CG1-CB 4.49Å; V44-L101 HydrophobicContact CB-CD2 4.24Å; V44-L101 HydrophobicContact CG1-CD2 3.76Å; V44-I120 PolarHBondContact N-O 3.36Å; V44-R121 HydrophobicContact CG2-CB 4.12Å; V44-R121 HydrophobicContact CG2-CG 4.5Å; V44-R121 CarbonylContact O-C 3.43Å; V44-R121 WeakPolarHBondContact O-CA 3.32Å; V44-L122 PolarHBondContact O-N 2.93Å; V44-I228 HydrophobicContact CG2-CD1 4.1Å
45C98Very high98.3Very high2 Ų231.9 Ų31.91%0.01419%0.186CC..EExtended strand (participates in β ladder)trans-151.6175.4168.378.10000111.5S47 I51 A89 D90 H91 L122C45-S47 VanDerWaalsContact C-N 3.29Å; C45-S47 PolarHBondContact O-N 3.27Å; C45-S47 PolarHBondContact SG-O 2.71Å; C45-I51 HydrophobicContact CB-CD1 4.38Å; C45-A89 PolarHBondContact N-O 3.45Å; C45-D90 CarbonylContact O-C 3.43Å; C45-D90 WeakPolarHBondContact O-CA 3.36Å; C45-H91 WeakPolarHBondContact CA-NE2 3.39Å; C45-H91 PolarHBondContact O-N 3.08Å; C45-L122 HydrophobicContact CB-CB 4.21Å; C45-L122 WeakPolarHBondContact CB-O 3.42Å
46G97.4Very high98.3Very high30 Ų3030 Ų3031%0.30918%0.18SC..SBendtrans-76.2-12.2-175.400000115.4H91 G92G46-H91 WeakPolarHBondContact CA-CE1 3.34Å; G46-H91 PolarHBondContact N-CE1 3.42Å; G46-H91 PolarHBondContact N-NE2 3.06Å; G46-G92 WeakPolarHBondContact CA-O 3.47Å
47S97.7Very high98.2Very high48 Ų4832.3 Ų32.334%0.33620%0.195SC..  trans-120.8120.4-173.4168.80000111.4C45 G49 R50 I51C45-S47 VanDerWaalsContact C-N 3.29Å; C45-S47 PolarHBondContact O-N 3.27Å; C45-S47 PolarHBondContact SG-O 2.71Å; S47-G49 VanDerWaalsContact C-N 3.29Å; S47-G49 PolarHBondContact O-N 2.74Å; S47-R50 PolarHBondContact O-N 2.85Å; S47-R50 VanDerWaalsContact O-N 3.14Å; S47-R50 PolarHBondContact OG-N 3.44Å; S47-I51 PolarHBondContact O-N 3.15Å
48S98.1Very high98.2Very high53 Ų5330.8 Ų30.837%0.37118%0.18SC..Hα-helixtrans-55.4-42.4174.6580000112.5R50 I51 H52S48-R50 PolarHBondContact O-N 3.43Å; S48-I51 WeakPolarHBondContact O-CG2 3.32Å; S48-I51 PolarHBondContact O-N 3.45Å; S48-H52 VanDerWaalsContact O-CB 3.26Å; S48-H52 WeakPolarHBondContact O-CB 3.35Å; S48-H52 PolarHBondContact O-N 2.86Å
49G97.3Very high98.2Very high35 Ų3528.4 Ų28.436%0.36117%0.167SC..Hα-helixtrans-62.9-41.5176.300000112.9S47 N53S47-G49 VanDerWaalsContact C-N 3.29Å; S47-G49 PolarHBondContact O-N 2.74Å; G49-N53 WeakPolarHBondContact O-CB 3.3Å; G49-N53 VanDerWaalsContact O-CG 3.25Å; G49-N53 PolarHBondContact O-N 2.79Å; G49-N53 PolarHBondContact O-ND2 3.36Å
50R97.2Very high98.1Very high40 Ų4035 Ų3515%0.15120%0.196CC..Hα-helixtrans-67.8-44.7178.3-73.9-179.456-154.4-10.5112.1S47 S48 H52 N53 F54 L122 E266S47-R50 PolarHBondContact O-N 2.85Å; S47-R50 VanDerWaalsContact O-N 3.14Å; S47-R50 PolarHBondContact OG-N 3.44Å; S48-R50 PolarHBondContact O-N 3.43Å; R50-H52 VanDerWaalsContact C-N 3.33Å; R50-N53 PolarHBondContact O-N 2.84Å; R50-F54 PolarHBondContact O-N 2.9Å; R50-L122 PolarHBondContact NH2-O 2.84Å; R50-E266 VanDerWaalsContact CD-CD 3.46Å; R50-E266 WeakPolarHBondContact CD-OE1 3.33Å; R50-E266 IonicContact CZ-OE1 3.46Å; R50-E266 IonicContact NE-OE1 2.74Å; R50-E266 PolarHBondContact NE-OE1 2.89Å; R50-E266 IonicContact NH1-OE1 2.91Å; R50-E266 PolarHBondContact NH1-OE1 3.14Å; R50-E266 PolarHBondContact NH2-O 3.08Å
51I98.5Very high97.9Very high0 Ų033 Ų330%019%0.19CC..Hα-helixtrans-69.3-34.7-179.5-154.271.1000111.8C43 C45 S47 S48 F54 A55 V79 Y81 F88 D90 L122C43-I51 HydrophobicContact CB-CD1 4.28Å; C45-I51 HydrophobicContact CB-CD1 4.38Å; S47-I51 PolarHBondContact O-N 3.15Å; S48-I51 WeakPolarHBondContact O-CG2 3.32Å; S48-I51 PolarHBondContact O-N 3.45Å; I51-F54 HydrophobicContact CD1-CD1 4.42Å; I51-F54 PolarHBondContact O-N 3.08Å; I51-A55 PolarHBondContact O-N 3.47Å; I51-V79 HydrophobicContact CG2-CG2 3.89Å; I51-Y81 HydrophobicContact CG2-CE2 4.29Å; I51-F88 HydrophobicContact CD1-CD1 4.49Å; I51-F88 HydrophobicContact CG1-CB 3.92Å; I51-F88 HydrophobicContact CG1-CD1 4.41Å; I51-D90 HydrophobicContact CG2-CB 4.2Å; I51-L122 HydrophobicContact CD1-CD1 4.24Å
52H98.3Very high97.9Very high56 Ų5632.2 Ų32.226%0.25919%0.186SC..Hα-helixtrans-64.2-46.3173.3-176-158.6000111.7S48 R50 F54 A55 I56 Y81S48-H52 VanDerWaalsContact O-CB 3.26Å; S48-H52 WeakPolarHBondContact O-CB 3.35Å; S48-H52 PolarHBondContact O-N 2.86Å; R50-H52 VanDerWaalsContact C-N 3.33Å; H52-F54 PolarHBondContact O-N 2.93Å; H52-A55 WeakPolarHBondContact O-CB 3.15Å; H52-A55 PolarHBondContact O-N 2.97Å; H52-A55 VanDerWaalsContact O-N 3.14Å; H52-I56 WeakPolarHBondContact O-CG1 3.21Å; H52-I56 PolarHBondContact O-N 3.39Å; H52-Y81 HydrophobicContact CB-CE2 3.63Å; H52-Y81 AromaticContact CD2-CE1 3.63Å; H52-Y81 AromaticContact CD2-CZ 3.6Å; H52-Y81 AromaticContact CG-CE2 3.99Å; H52-Y81 AromaticContact CG-CZ 3.58Å; H52-Y81 AromaticContact NE2-CE1 4Å
53N97.6Very high97.7Very high106 Ų10634.7 Ų34.757%0.56721%0.212SC*.Hα-helixtrans-59.4-37.7174.8-75.4-24.2000112.1G49 R50 I56 S57G49-N53 WeakPolarHBondContact O-CB 3.3Å; G49-N53 VanDerWaalsContact O-CG 3.25Å; G49-N53 PolarHBondContact O-N 2.79Å; G49-N53 PolarHBondContact O-ND2 3.36Å; R50-N53 PolarHBondContact O-N 2.84Å; N53-I56 PolarHBondContact O-N 2.66Å; N53-S57 PolarHBondContact O-N 2.85Å
54F98.3Very high97.6Very high16 Ų1637.6 Ų37.67%0.0723%0.227CC..Hα-helixtrans-66.4-44.2174.7-174.8-126.4000111.8C43 R50 I51 H52 I56 S57 M58 F88 L122 G270 V273 L277C43-F54 HydrophobicContact CB-CD1 4.25Å; C43-F54 HydrophobicContact CB-CE1 3.97Å; R50-F54 PolarHBondContact O-N 2.9Å; I51-F54 HydrophobicContact CD1-CD1 4.42Å; I51-F54 PolarHBondContact O-N 3.08Å; H52-F54 PolarHBondContact O-N 2.93Å; F54-I56 VanDerWaalsContact C-N 3.34Å; F54-I56 PolarHBondContact O-N 2.99Å; F54-S57 WeakPolarHBondContact CD2-OG 3.46Å; F54-S57 WeakPolarHBondContact O-CB 2.93Å; F54-S57 PolarHBondContact O-N 2.83Å; F54-S57 VanDerWaalsContact O-N 3.08Å; F54-S57 PolarHBondContact O-OG 2.79Å; F54-M58 HydrophobicContact CD2-CG 4.4Å; F54-M58 HydrophobicContact CE1-CG 4.27Å; F54-M58 HydrophobicContact CE2-CG 3.96Å; F54-M58 HydrophobicContact CE2-SD 3.85Å; F54-M58 HydrophobicContact CZ-CG 3.9Å; F54-M58 HydrophobicContact CZ-SD 3.88Å; F54-M58 WeakPolarHBondContact O-CG 3.27Å; F54-M58 PolarHBondContact O-N 2.75Å; F54-F88 AromaticContact CD1-CD1 3.82Å; F54-F88 HydrophobicContact CD1-CD1 3.82Å; F54-F88 AromaticContact CD1-CE1 3.54Å; F54-F88 HydrophobicContact CD1-CE1 3.54Å; F54-F88 HydrophobicContact CE1-CD1 4.29Å; F54-F88 AromaticContact CE1-CE1 3.69Å; F54-F88 HydrophobicContact CE1-CE1 3.69Å; F54-F88 HydrophobicContact CG-CE1 4.41Å; F54-L122 HydrophobicContact CD1-CD1 3.31Å; F54-L122 HydrophobicContact CE1-CD1 3.42Å; F54-L122 VanDerWaalsContact CE1-CD1 3.42Å; F54-L122 HydrophobicContact CG-CD1 3.96Å; F54-L122 HydrophobicContact CZ-CD1 4.13Å; F54-G270 WeakPolarHBondContact CE2-O 3.34Å; F54-V273 HydrophobicContact CE1-CG1 4.48Å; F54-V273 HydrophobicContact CZ-CB 4.43Å; F54-V273 HydrophobicContact CZ-CG1 4.1Å; F54-L277 HydrophobicContact CE1-CD1 4.24Å; F54-L277 HydrophobicContact CZ-CD1 4.01Å
55A98.6Very high97.2Very high0 Ų042 Ų420%026%0.264CS..Hα-helixtrans-58.7-43.5174.600000112.1I51 H52 S57 M58 A59 V68 Y81 V83 F88I51-A55 PolarHBondContact O-N 3.47Å; H52-A55 WeakPolarHBondContact O-CB 3.15Å; H52-A55 PolarHBondContact O-N 2.97Å; H52-A55 VanDerWaalsContact O-N 3.14Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 3.18Å; A55-M58 PolarHBondContact O-N 2.85Å; A55-A59 WeakPolarHBondContact O-CB 3.05Å; A55-A59 PolarHBondContact O-N 2.85Å; A55-V68 HydrophobicContact CB-CG1 4.21Å; A55-Y81 HydrophobicContact CB-CD2 4.44Å; A55-Y81 HydrophobicContact CB-CG 4.37Å; A55-V83 HydrophobicContact CB-CG2 4.47Å; A55-F88 HydrophobicContact CB-CB 4.27Å; A55-F88 HydrophobicContact CB-CD1 3.94Å; A55-F88 HydrophobicContact CB-CD2 3.86Å; A55-F88 HydrophobicContact CB-CE1 4.2Å; A55-F88 HydrophobicContact CB-CE2 4.14Å; A55-F88 HydrophobicContact CB-CG 3.76Å; A55-F88 HydrophobicContact CB-CZ 4.29Å
56I98.2Very high97Very high38 Ų3846 Ų4620%0.19529%0.285CS..Hα-helixtrans-58.5-43.4173.3-69.7168000111.1H52 N53 F54 M58 A59 K60 L66 V68H52-I56 WeakPolarHBondContact O-CG1 3.21Å; H52-I56 PolarHBondContact O-N 3.39Å; N53-I56 PolarHBondContact O-N 2.66Å; F54-I56 VanDerWaalsContact C-N 3.34Å; F54-I56 PolarHBondContact O-N 2.99Å; I56-M58 VanDerWaalsContact C-N 3.32Å; I56-M58 PolarHBondContact O-N 3.29Å; I56-A59 PolarHBondContact O-N 3.38Å; I56-K60 HydrophobicContact CG2-CD 4.35Å; I56-K60 WeakPolarHBondContact O-CG 3.32Å; I56-K60 PolarHBondContact O-N 3.22Å; I56-L66 HydrophobicContact CG2-CD1 4.32Å; I56-L66 HydrophobicContact CG2-CD2 4.03Å; I56-V68 HydrophobicContact CG1-CG2 4.26Å
57S97.4Very high96.9Very high47 Ų4748.8 Ų48.833%0.32930%0.297SS..Hα-helixtrans-63.3-39178.8790000112N53 F54 A55 K60 L61N53-S57 PolarHBondContact O-N 2.85Å; F54-S57 WeakPolarHBondContact CD2-OG 3.46Å; F54-S57 WeakPolarHBondContact O-CB 2.93Å; F54-S57 PolarHBondContact O-N 2.83Å; F54-S57 VanDerWaalsContact O-N 3.08Å; F54-S57 PolarHBondContact O-OG 2.79Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 3.18Å; S57-K60 PolarHBondContact O-N 3.23Å; S57-L61 WeakPolarHBondContact O-CG 3.35Å; S57-L61 PolarHBondContact O-N 3.08Å
58M98.3Very high96.8Very high0 Ų047.2 Ų47.20%029%0.286CS..Hα-helixtrans-70.3-39.6176.7-66.3-52.4-61.600111.9F54 A55 I56 K60 L61 A62 V83 I86 F88 G274 L277 I283F54-M58 HydrophobicContact CD2-CG 4.4Å; F54-M58 HydrophobicContact CE1-CG 4.27Å; F54-M58 HydrophobicContact CE2-CG 3.96Å; F54-M58 HydrophobicContact CE2-SD 3.85Å; F54-M58 HydrophobicContact CZ-CG 3.9Å; F54-M58 HydrophobicContact CZ-SD 3.88Å; F54-M58 WeakPolarHBondContact O-CG 3.27Å; F54-M58 PolarHBondContact O-N 2.75Å; A55-M58 PolarHBondContact O-N 2.85Å; I56-M58 VanDerWaalsContact C-N 3.32Å; I56-M58 PolarHBondContact O-N 3.29Å; M58-K60 VanDerWaalsContact C-N 3.33Å; M58-K60 PolarHBondContact O-N 2.97Å; M58-L61 HydrophobicContact CE-CD1 4.48Å; M58-L61 PolarHBondContact O-N 3.5Å; M58-L61 HydrophobicContact SD-CD1 3.98Å; M58-A62 WeakPolarHBondContact O-CB 3.42Å; M58-A62 PolarHBondContact O-N 2.69Å; M58-V83 HydrophobicContact CB-CG1 4.39Å; M58-I86 HydrophobicContact CE-CD1 3.84Å; M58-F88 HydrophobicContact CB-CZ 3.92Å; M58-F88 HydrophobicContact CG-CE1 4.02Å; M58-F88 HydrophobicContact CG-CZ 3.85Å; M58-G274 VanDerWaalsContact SD-CA 3.52Å; M58-L277 HydrophobicContact CE-CB 3.68Å; M58-L277 HydrophobicContact CE-CD1 3.94Å; M58-L277 HydrophobicContact CE-CG 4.49Å; M58-L277 HydrophobicContact SD-CD1 4.34Å; M58-I283 HydrophobicContact CE-CD1 4.09Å; M58-I283 HydrophobicContact CE-CG1 4.39Å; M58-I283 HydrophobicContact CE-CG2 3.75Å
59A98Very high96.8Very high1 Ų151.2 Ų51.21%0.00830%0.298CS..Hα-helixtrans-61.4-42175.400000111.7A55 I56 A62 G63 L64 L66 V68 V83A55-A59 WeakPolarHBondContact O-CB 3.05Å; A55-A59 PolarHBondContact O-N 2.85Å; I56-A59 PolarHBondContact O-N 3.38Å; A59-A62 PolarHBondContact O-N 3.48Å; A59-G63 PolarHBondContact O-N 3.32Å; A59-L64 HydrophobicContact CB-CB 4.3Å; A59-L64 PolarHBondContact O-N 3.01Å; A59-L66 HydrophobicContact CB-CD2 4.25Å; A59-V68 HydrophobicContact CB-CG2 3.56Å; A59-V83 HydrophobicContact CB-CG1 4.16Å; A59-V83 HydrophobicContact CB-CG2 4.08Å
60K97.1Very high96.8Very high138 Ų13852.5 Ų52.560%0.630%0.297SS*.Hα-helixtrans-61.2-44.2172.8-71.9175.8-179.8-179.60112I56 S57 M58 A62 G63I56-K60 HydrophobicContact CG2-CD 4.35Å; I56-K60 WeakPolarHBondContact O-CG 3.32Å; I56-K60 PolarHBondContact O-N 3.22Å; S57-K60 PolarHBondContact O-N 3.23Å; M58-K60 VanDerWaalsContact C-N 3.33Å; M58-K60 PolarHBondContact O-N 2.97Å; K60-A62 PolarHBondContact O-N 2.9Å; K60-G63 PolarHBondContact O-N 3.3Å
61L95.5Very high96.9Very high66 Ų6652.1 Ų52.135%0.34630%0.298SS..Hα-helixtrans-63.7-29176.1-74.3173.1000113S57 M58 G63 I283S57-L61 WeakPolarHBondContact O-CG 3.35Å; S57-L61 PolarHBondContact O-N 3.08Å; M58-L61 HydrophobicContact CE-CD1 4.48Å; M58-L61 PolarHBondContact O-N 3.5Å; M58-L61 HydrophobicContact SD-CD1 3.98Å; L61-G63 VanDerWaalsContact C-N 3.34Å; L61-I283 HydrophobicContact CB-CD1 3.72Å
62A97Very high96.9Very high0 Ų052.6 Ų52.60%030%0.301CS..THydrogen-bonded Turntrans-84.8-3.2178.300000114M58 A59 K60 L64 V83 I283 R286M58-A62 WeakPolarHBondContact O-CB 3.42Å; M58-A62 PolarHBondContact O-N 2.69Å; A59-A62 PolarHBondContact O-N 3.48Å; K60-A62 PolarHBondContact O-N 2.9Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 HydrophobicContact CB-CD1 4.06Å; A62-L64 HydrophobicContact CB-CG 4.16Å; A62-L64 PolarHBondContact O-N 2.92Å; A62-V83 HydrophobicContact CB-CG1 4.36Å; A62-I283 HydrophobicContact CB-CB 3.9Å; A62-I283 HydrophobicContact CB-CD1 4.3Å; A62-I283 HydrophobicContact CB-CG2 4.03Å; A62-R286 WeakPolarHBondContact O-CD 3.4Å; A62-R286 WeakPolarHBondContact O-CG 3.06Å; A62-R286 PolarHBondContact O-NH1 2.99Å
63G96.3Very high96.8Very high52 Ų5251.1 Ų51.154%0.53630%0.302SS..THydrogen-bonded Turntrans69.825-175.400000114A59 K60 L61A59-G63 PolarHBondContact O-N 3.32Å; K60-G63 PolarHBondContact O-N 3.3Å; L61-G63 VanDerWaalsContact C-N 3.34Å
64L95.5Very high96.7Very high61 Ų6151.4 Ų51.432%0.31931%0.312SS..PPolyproline II helixtrans-88.7144.4179-70.8168.9000111.6A59 A62 V83 R286A59-L64 HydrophobicContact CB-CB 4.3Å; A59-L64 PolarHBondContact O-N 3.01Å; A62-L64 VanDerWaalsContact C-N 3.31Å; A62-L64 HydrophobicContact CB-CD1 4.06Å; A62-L64 HydrophobicContact CB-CG 4.16Å; A62-L64 PolarHBondContact O-N 2.92Å; L64-V83 HydrophobicContact CD1-CG1 3.8Å; L64-R286 VanDerWaalsContact CD2-CZ 3.48Å
65A91.9Very high96.6Very high93 Ų9359.1 Ų59.177%0.76935%0.348SS*.PPolyproline II helixtrans-66.5147.6170.900000110.8
66L92.5Very high96.6Very high87 Ų8760.4 Ų60.446%0.45536%0.358SS..SBendtrans-92.5156.2173.6-63.7176.2000109.8I56 A59 V68I56-L66 HydrophobicContact CG2-CD1 4.32Å; I56-L66 HydrophobicContact CG2-CD2 4.03Å; A59-L66 HydrophobicContact CB-CD2 4.25Å; L66-V68 HydrophobicContact CD2-CG2 4.14Å
67P95Very high96.6Very high88 Ų8867.7 Ų67.757%0.57138%0.384SS*.PPolyproline II helixcis-84.8163.36.835.6-38.7000114.8E69P67-E69 HydrophobicContact CG-CG 4.38Å; P67-E69 WeakPolarHBondContact CG-OE1 3.27Å
68V96.9Very high96.6Very high15 Ų1566 Ų669%0.09137%0.37CS..  trans-87.9104.6165.3-174.50000107.9A55 I56 A59 L66 Y81 V83A55-V68 HydrophobicContact CB-CG1 4.21Å; I56-V68 HydrophobicContact CG1-CG2 4.26Å; A59-V68 HydrophobicContact CB-CG2 3.56Å; L66-V68 HydrophobicContact CD2-CG2 4.14Å; V68-Y81 HydrophobicContact CG1-CD1 4.02Å; V68-Y81 HydrophobicContact CG1-CG 4.23Å; V68-V83 HydrophobicContact CG1-CG2 4.11Å; V68-V83 HydrophobicContact CG2-CG2 4.34Å
69E97.3Very high96.7Very high137 Ų13767.1 Ų67.164%0.6438%0.377SS*.  trans-74.2140.3-172.9-67.4-65.6169.400113P67 I71 Y81P67-E69 HydrophobicContact CG-CG 4.38Å; P67-E69 WeakPolarHBondContact CG-OE1 3.27Å; E69-I71 PolarHBondContact O-N 2.9Å; E69-Y81 WeakPolarHBondContact O-CD1 3.44Å
70N98.3Very high96.7Very high61 Ų6167.1 Ų67.133%0.32638%0.377SS..  trans-73.3122.2173.3-173.617.1000109.8A72 L80 Y81N70-A72 WeakPolarHBondContact OD1-CB 3.47Å; N70-A72 PolarHBondContact OD1-N 3.14Å; N70-A72 VanDerWaalsContact OD1-N 3.13Å; N70-L80 PolarHBondContact OD1-N 3.41Å; N70-L80 PolarHBondContact OD1-O 3.23Å; N70-Y81 HydrophobicContact CB-CD1 4.36Å; N70-Y81 HydrophobicContact CB-CE1 3.72Å
71I98.5Very high96.8Very high33 Ų3361.2 Ų61.217%0.16935%0.351CS..  trans-80-28.6178.6-57.9169.3000110.9F25 F30 F36 E69 L80 K82F25-I71 HydrophobicContact CE1-CG2 4.35Å; F30-I71 HydrophobicContact CE2-CG2 4.13Å; F30-I71 HydrophobicContact CZ-CG2 3.95Å; F36-I71 HydrophobicContact CE1-CD1 4.08Å; F36-I71 HydrophobicContact CZ-CG2 4.17Å; E69-I71 PolarHBondContact O-N 2.9Å; I71-L80 HydrophobicContact CB-CB 4.24Å; I71-L80 HydrophobicContact CB-CD2 4.27Å; I71-L80 HydrophobicContact CB-CG 4.35Å; I71-L80 WeakPolarHBondContact CB-O 3.48Å; I71-L80 HydrophobicContact CG2-CD2 4.18Å; I71-L80 PolarHBondContact N-O 3.29Å; I71-K82 HydrophobicContact CD1-CB 3.79Å
72A98.3Very high96.9Very high9 Ų960.6 Ų60.67%0.07435%0.345CS..SBendtrans-68.3152.8178.400000111.4F23 N70 A76 F78 L80F23-A72 HydrophobicContact CD1-CB 4.13Å; F23-A72 CarbonylContact O-C 3.59Å; F23-A72 VanDerWaalsContact O-CA 3.28Å; F23-A72 WeakPolarHBondContact O-CA 3.41Å; F23-A72 WeakPolarHBondContact O-CB 3.37Å; N70-A72 WeakPolarHBondContact OD1-CB 3.47Å; N70-A72 PolarHBondContact OD1-N 3.14Å; N70-A72 VanDerWaalsContact OD1-N 3.13Å; A72-A76 HydrophobicContact CB-CB 3.93Å; A72-F78 WeakPolarHBondContact CB-O 3.44Å; A72-L80 HydrophobicContact CB-CB 4.19Å
73G97Very high97Very high26 Ų2660.8 Ų60.827%0.26835%0.346SS..  trans-60.8150.7175.600000112.1F23 H75 A76F23-G73 PolarHBondContact O-N 2.98Å; G73-H75 PolarHBondContact O-N 3.08Å; G73-A76 WeakPolarHBondContact O-CB 3.46Å; G73-A76 PolarHBondContact O-N 2.66Å
74S95.7Very high97.1Very high112 Ų11259.2 Ų59.278%0.78333%0.326SS*.THydrogen-bonded Turntrans-61.4-18.1-176.2550000115.2
75H95.9Very high97.2Very high178 Ų17858.5 Ų58.582%0.82432%0.321SS*.THydrogen-bonded Turntrans-111.811.9177.7-60.979.6000112.6G73G73-H75 PolarHBondContact O-N 3.08Å
76A97.6Very high97.6Very high27 Ų2754.1 Ų54.122%0.22328%0.284CS..  trans-65.1159.1176.900000111.7H22 F23 A72 G73H22-A76 WeakPolarHBondContact O-CB 3.42Å; F23-A76 VanDerWaalsContact C-CB 3.5Å; F23-A76 WeakPolarHBondContact O-CB 3.44Å; A72-A76 HydrophobicContact CB-CB 3.93Å; G73-A76 WeakPolarHBondContact O-CB 3.46Å; G73-A76 PolarHBondContact O-N 2.66Å
77R98.1Very high97.9Very high191 Ų19150 Ų5072%0.72126%0.263SS*.SBendtrans-81.2-32.5176.1-60.5-60.7-172166.5-0.1112.1H22H22-R77 HydrophobicContact CB-CB 4.21Å; H22-R77 HydrophobicContact CB-CG 4.46Å; H22-R77 PolarHBondContact O-N 3.32Å
78F98.7Very high98Very high12 Ų1245.8 Ų45.85%0.05324%0.235CC..SBendtrans-118.3150.6179.4-56.9-54.3000111.1H22 F23 A72 D90 I100 L101H22-F78 HydrophobicContact CB-CD2 3.86Å; H22-F78 HydrophobicContact CB-CE2 3.98Å; H22-F78 PolarHBondContact O-N 3.48Å; F23-F78 HydrophobicContact CD1-CB 4.02Å; F23-F78 HydrophobicContact CE1-CB 3.73Å; A72-F78 WeakPolarHBondContact CB-O 3.44Å; F78-D90 VanDerWaalsContact CA-OD1 3.25Å; F78-D90 WeakPolarHBondContact CA-OD1 3.4Å; F78-D90 WeakPolarHBondContact CD1-O 3.46Å; F78-D90 WeakPolarHBondContact CG-O 3.26Å; F78-I100 HydrophobicContact CE2-CB 4.19Å; F78-I100 HydrophobicContact CE2-CG2 3.79Å; F78-I100 HydrophobicContact CZ-CB 4.46Å; F78-I100 HydrophobicContact CZ-CG2 4.44Å; F78-L101 HydrophobicContact CB-CD1 4.39Å; F78-L101 HydrophobicContact CD2-CB 4.36Å; F78-L101 HydrophobicContact CD2-CD1 3.97Å; F78-L101 HydrophobicContact CE2-CB 4.04Å; F78-L101 HydrophobicContact CE2-CD1 4.48Å; F78-L101 HydrophobicContact CG-CD1 4.17Å; F78-L101 HydrophobicContact CZ-CB 4.35Å
79V98.8Very high98.1Very high23 Ų2345 Ų4514%0.13923%0.231CC..  trans-88.2153.3168.6-60.70000110.3I51 Y81 A89 D90I51-V79 HydrophobicContact CG2-CG2 3.89Å; V79-Y81 HydrophobicContact CB-CE2 3.78Å; V79-Y81 HydrophobicContact CG2-CD2 4.33Å; V79-Y81 HydrophobicContact CG2-CE2 3.47Å; V79-Y81 VanDerWaalsContact CG2-CE2 3.47Å; V79-A89 WeakPolarHBondContact O-CA 3.38Å; V79-A89 WeakPolarHBondContact O-CB 3.12Å; V79-D90 HydrophobicContact CG2-CB 4.31Å; V79-D90 WeakPolarHBondContact CG2-OD1 3.07Å; V79-D90 PolarHBondContact N-OD1 3.49Å
80L98.8Very high98.2Very high0 Ų039.2 Ų39.20%020%0.204CC..EExtended strand (participates in β ladder)trans-140.6123.2176.8-171.267.8000110F23 F25 N70 I71 A72 L87 F88 A89 L108F23-L80 HydrophobicContact CD1-CB 3.98Å; F23-L80 HydrophobicContact CE1-CB 3.84Å; F23-L80 HydrophobicContact CE1-CD1 3.98Å; F23-L80 HydrophobicContact CE1-CD2 4.46Å; F23-L80 HydrophobicContact CE1-CG 4.32Å; F23-L80 HydrophobicContact CZ-CD1 4.05Å; F25-L80 HydrophobicContact CE1-CD2 3.83Å; F25-L80 HydrophobicContact CZ-CD2 3.81Å; N70-L80 PolarHBondContact OD1-N 3.41Å; N70-L80 PolarHBondContact OD1-O 3.23Å; I71-L80 HydrophobicContact CB-CB 4.24Å; I71-L80 HydrophobicContact CB-CD2 4.27Å; I71-L80 HydrophobicContact CB-CG 4.35Å; I71-L80 WeakPolarHBondContact CB-O 3.48Å; I71-L80 HydrophobicContact CG2-CD2 4.18Å; I71-L80 PolarHBondContact N-O 3.29Å; A72-L80 HydrophobicContact CB-CB 4.19Å; L80-L87 HydrophobicContact CD1-CD1 3.94Å; L80-L87 HydrophobicContact CD1-CD2 3.87Å; L80-L87 HydrophobicContact CD1-CG 3.64Å; L80-L87 HydrophobicContact CG-CD1 4.17Å; L80-L87 HydrophobicContact CG-CG 4.42Å; L80-F88 CarbonylContact C-O 3.49Å; L80-F88 WeakPolarHBondContact CA-O 3.34Å; L80-A89 HydrophobicContact CD1-CB 3.95Å; L80-L108 HydrophobicContact CD2-CD1 3.99Å
81Y98.8Very high98.2Very high14 Ų1436.4 Ų36.46%0.05519%0.189CC..EExtended strand (participates in β ladder)trans-124.3159175.3-47.4-83000110.5I51 H52 A55 V68 E69 N70 V79 L87 F88I51-Y81 HydrophobicContact CG2-CE2 4.29Å; H52-Y81 HydrophobicContact CB-CE2 3.63Å; H52-Y81 AromaticContact CD2-CE1 3.63Å; H52-Y81 AromaticContact CD2-CZ 3.6Å; H52-Y81 AromaticContact CG-CE2 3.99Å; H52-Y81 AromaticContact CG-CZ 3.58Å; H52-Y81 AromaticContact NE2-CE1 4Å; A55-Y81 HydrophobicContact CB-CD2 4.44Å; A55-Y81 HydrophobicContact CB-CG 4.37Å; V68-Y81 HydrophobicContact CG1-CD1 4.02Å; V68-Y81 HydrophobicContact CG1-CG 4.23Å; E69-Y81 WeakPolarHBondContact O-CD1 3.44Å; N70-Y81 HydrophobicContact CB-CD1 4.36Å; N70-Y81 HydrophobicContact CB-CE1 3.72Å; V79-Y81 HydrophobicContact CB-CE2 3.78Å; V79-Y81 HydrophobicContact CG2-CD2 4.33Å; V79-Y81 HydrophobicContact CG2-CE2 3.47Å; V79-Y81 VanDerWaalsContact CG2-CE2 3.47Å; Y81-L87 CarbonylContact O-C 3.51Å; Y81-L87 WeakPolarHBondContact O-CA 3.46Å; Y81-L87 WeakPolarHBondContact O-CD1 3.47Å; Y81-F88 HydrophobicContact CD2-CB 4.24Å; Y81-F88 PolarHBondContact N-O 3.06Å; Y81-F88 PolarHBondContact O-N 2.76Å
82K98.6Very high98.2Very high53 Ų5335.7 Ų35.723%0.2319%0.19CC..EExtended strand (participates in β ladder)trans-135.7133.4173.3-171.9177.1-171.7-78.30110.2K35 F36 D38 V39 I71 D84 I86 L87K35-K82 WeakPolarHBondContact O-CD 3.5Å; K35-K82 WeakPolarHBondContact O-CE 3.34Å; F36-K82 HydrophobicContact CD1-CD 4.08Å; F36-K82 HydrophobicContact CE1-CD 4.5Å; D38-K82 WeakPolarHBondContact OD1-CE 3.45Å; D38-K82 IonicContact OD1-NZ 2.59Å; D38-K82 PolarHBondContact OD1-NZ 3.4Å; D38-K82 IonicContact OD2-NZ 2.98Å; D38-K82 PolarHBondContact OD2-NZ 2.97Å; V39-K82 HydrophobicContact CG2-CD 4.46Å; I71-K82 HydrophobicContact CD1-CB 3.79Å; K82-D84 WeakPolarHBondContact CE-O 3.35Å; K82-D84 PolarHBondContact NZ-O 3.46Å; K82-I86 WeakPolarHBondContact CA-O 3.18Å; K82-L87 HydrophobicContact CB-CD1 4.04Å; K82-L87 HydrophobicContact CG-CD1 4.32Å
83V98.6Very high98Very high4 Ų441.3 Ų41.32%0.02422%0.217CC..EExtended strand (participates in β ladder)trans-133.1113.2171.2-178.50000106.9A55 M58 A59 A62 L64 V68 H85 I86 F88 I283A55-V83 HydrophobicContact CB-CG2 4.47Å; M58-V83 HydrophobicContact CB-CG1 4.39Å; A59-V83 HydrophobicContact CB-CG1 4.16Å; A59-V83 HydrophobicContact CB-CG2 4.08Å; A62-V83 HydrophobicContact CB-CG1 4.36Å; L64-V83 HydrophobicContact CD1-CG1 3.8Å; V68-V83 HydrophobicContact CG1-CG2 4.11Å; V68-V83 HydrophobicContact CG2-CG2 4.34Å; V83-H85 PolarHBondContact O-N 3.13Å; V83-H85 VanDerWaalsContact O-N 3.13Å; V83-I86 PolarHBondContact N-O 3.2Å; V83-I86 PolarHBondContact O-N 3.2Å; V83-F88 HydrophobicContact CB-CE2 3.73Å; V83-F88 HydrophobicContact CB-CZ 4.28Å; V83-F88 HydrophobicContact CG2-CD2 4.46Å; V83-F88 HydrophobicContact CG2-CE2 3.72Å; V83-F88 HydrophobicContact CG2-CZ 4.33Å; V83-I283 HydrophobicContact CG1-CG2 4.26Å
84D98Very high97.8Very high20 Ų2040.4 Ų40.411%0.10721%0.208CC..THydrogen-bonded Turntrans44.5-118.8-173.1-65.4-31.1000111K82 I86 I284 R286K82-D84 WeakPolarHBondContact CE-O 3.35Å; K82-D84 PolarHBondContact NZ-O 3.46Å; D84-I86 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 3.48Å; D84-I284 PolarHBondContact OD2-N 3.34Å; D84-R286 IonicContact OD1-CZ 2.9Å; D84-R286 IonicContact OD1-NH1 2.79Å; D84-R286 PolarHBondContact OD1-NH1 3.3Å; D84-R286 IonicContact OD1-NH2 3.07Å; D84-R286 PolarHBondContact OD1-NH2 3.18Å; D84-R286 IonicContact OD2-CZ 3.5Å; D84-R286 IonicContact OD2-NH1 2.84Å; D84-R286 PolarHBondContact OD2-NH1 3.24Å; D84-R286 IonicContact OD2-NH2 3.86Å
85H98.7Very high97.7Very high46 Ų4637.1 Ų37.121%0.21318%0.181CC..THydrogen-bonded Turntrans-9113.4-174.3-52.5-41.9000113.7D38 K40 F41 V83 N281 G282D38-H85 WeakPolarHBondContact O-CB 3.37Å; D38-H85 PolarHBondContact O-ND1 2.96Å; D38-H85 IonicContact OD2-CE1 2.78Å; D38-H85 PolarHBondContact OD2-CE1 3.41Å; D38-H85 IonicContact OD2-CG 3.59Å; D38-H85 IonicContact OD2-ND1 2.81Å; D38-H85 PolarHBondContact OD2-ND1 3.03Å; K40-H85 HydrophobicContact CB-CB 4.4Å; K40-H85 HydrophobicContact CG-CB 4.44Å; K40-H85 PolarHBondContact N-O 2.88Å; F41-H85 PolarHBondContact N-O 3.46Å; F41-H85 VanDerWaalsContact N-O 3.12Å; V83-H85 PolarHBondContact O-N 3.13Å; V83-H85 VanDerWaalsContact O-N 3.13Å; H85-N281 PolarHBondContact CD2-O 2.93Å; H85-N281 VanDerWaalsContact CD2-O 3.3Å; H85-G282 PolarHBondContact N-O 2.84Å; H85-G282 VanDerWaalsContact N-O 3.12Å
86I98.8Very high97.7Very high0 Ų033.3 Ų33.30%017%0.172CC..EExtended strand (participates in β ladder)trans-115.3127.5-178.4-51.5145.7000110.2F41 C43 M58 K82 V83 D84 F88 L277 G282 I283F41-I86 HydrophobicContact CB-CB 4.49Å; F41-I86 HydrophobicContact CB-CG1 4.1Å; F41-I86 HydrophobicContact CB-CG2 4.24Å; F41-I86 HydrophobicContact CD2-CG1 4.31Å; F41-I86 WeakPolarHBondContact O-CA 3.3Å; C43-I86 HydrophobicContact CB-CG2 4.42Å; M58-I86 HydrophobicContact CE-CD1 3.84Å; K82-I86 WeakPolarHBondContact CA-O 3.18Å; V83-I86 PolarHBondContact N-O 3.2Å; V83-I86 PolarHBondContact O-N 3.2Å; D84-I86 VanDerWaalsContact C-N 3.3Å; D84-I86 PolarHBondContact O-N 3.48Å; I86-F88 HydrophobicContact CB-CE2 3.64Å; I86-F88 HydrophobicContact CB-CZ 3.69Å; I86-F88 HydrophobicContact CD1-CZ 4.2Å; I86-F88 HydrophobicContact CG2-CD1 4.24Å; I86-F88 HydrophobicContact CG2-CD2 4.05Å; I86-F88 HydrophobicContact CG2-CE1 3.68Å; I86-F88 HydrophobicContact CG2-CE2 3.45Å; I86-F88 VanDerWaalsContact CG2-CE2 3.45Å; I86-F88 HydrophobicContact CG2-CG 4.4Å; I86-F88 HydrophobicContact CG2-CZ 3.25Å; I86-F88 WeakPolarHBondContact O-CE2 3.4Å; I86-L277 HydrophobicContact CD1-CB 4.21Å; I86-L277 HydrophobicContact CD1-CD1 3.81Å; I86-L277 HydrophobicContact CD1-CD2 4.43Å; I86-L277 HydrophobicContact CD1-CG 4.38Å; I86-L277 HydrophobicContact CG1-CD1 4.19Å; I86-L277 HydrophobicContact CG1-CD2 4.19Å; I86-L277 HydrophobicContact CG2-CD1 4.41Å; I86-G282 VanDerWaalsContact CD1-O 3.29Å; I86-G282 WeakPolarHBondContact CD1-O 3.5Å; I86-G282 WeakPolarHBondContact CG1-O 3.21Å; I86-I283 HydrophobicContact CD1-CG2 3.57Å
87L98.8Very high97.7Very high0 Ų033.5 Ų33.50%017%0.172CC..EExtended strand (participates in β ladder)trans-98.9143.4168-15665.2000109.4F36 V39 F41 V42 C43 L80 Y81 K82 V105 L108F36-L87 HydrophobicContact CD1-CD1 4.02Å; F36-L87 HydrophobicContact CE1-CD1 4.01Å; V39-L87 HydrophobicContact CG1-CB 4.07Å; V39-L87 HydrophobicContact CG2-CB 4.38Å; F41-L87 PolarHBondContact O-N 3.22Å; V42-L87 CarbonylContact C-O 3.52Å; V42-L87 WeakPolarHBondContact CA-O 3.39Å; V42-L87 HydrophobicContact CG2-CB 4.08Å; V42-L87 HydrophobicContact CG2-CD2 4.49Å; C43-L87 PolarHBondContact N-O 3.36Å; L80-L87 HydrophobicContact CD1-CD1 3.94Å; L80-L87 HydrophobicContact CD1-CD2 3.87Å; L80-L87 HydrophobicContact CD1-CG 3.64Å; L80-L87 HydrophobicContact CG-CD1 4.17Å; L80-L87 HydrophobicContact CG-CG 4.42Å; Y81-L87 CarbonylContact O-C 3.51Å; Y81-L87 WeakPolarHBondContact O-CA 3.46Å; Y81-L87 WeakPolarHBondContact O-CD1 3.47Å; K82-L87 HydrophobicContact CB-CD1 4.04Å; K82-L87 HydrophobicContact CG-CD1 4.32Å; L87-V105 HydrophobicContact CD2-CG1 4.36Å; L87-L108 HydrophobicContact CD2-CD2 4.17Å
88F98.9Very high97.7Very high0 Ų024.4 Ų24.40%014%0.138CC..EExtended strand (participates in β ladder)trans-129.1127.8-177.4-57.3-98.1000109.6C43 I51 F54 A55 M58 L80 Y81 V83 I86C43-F88 HydrophobicContact CB-CD1 3.88Å; C43-F88 HydrophobicContact CB-CE1 4.19Å; C43-F88 WeakPolarHBondContact O-CA 3.41Å; I51-F88 HydrophobicContact CD1-CD1 4.49Å; I51-F88 HydrophobicContact CG1-CB 3.92Å; I51-F88 HydrophobicContact CG1-CD1 4.41Å; F54-F88 AromaticContact CD1-CD1 3.82Å; F54-F88 HydrophobicContact CD1-CD1 3.82Å; F54-F88 AromaticContact CD1-CE1 3.54Å; F54-F88 HydrophobicContact CD1-CE1 3.54Å; F54-F88 HydrophobicContact CE1-CD1 4.29Å; F54-F88 AromaticContact CE1-CE1 3.69Å; F54-F88 HydrophobicContact CE1-CE1 3.69Å; F54-F88 HydrophobicContact CG-CE1 4.41Å; A55-F88 HydrophobicContact CB-CB 4.27Å; A55-F88 HydrophobicContact CB-CD1 3.94Å; A55-F88 HydrophobicContact CB-CD2 3.86Å; A55-F88 HydrophobicContact CB-CE1 4.2Å; A55-F88 HydrophobicContact CB-CE2 4.14Å; A55-F88 HydrophobicContact CB-CG 3.76Å; A55-F88 HydrophobicContact CB-CZ 4.29Å; M58-F88 HydrophobicContact CB-CZ 3.92Å; M58-F88 HydrophobicContact CG-CE1 4.02Å; M58-F88 HydrophobicContact CG-CZ 3.85Å; L80-F88 CarbonylContact C-O 3.49Å; L80-F88 WeakPolarHBondContact CA-O 3.34Å; Y81-F88 HydrophobicContact CD2-CB 4.24Å; Y81-F88 PolarHBondContact N-O 3.06Å; Y81-F88 PolarHBondContact O-N 2.76Å; V83-F88 HydrophobicContact CB-CE2 3.73Å; V83-F88 HydrophobicContact CB-CZ 4.28Å; V83-F88 HydrophobicContact CG2-CD2 4.46Å; V83-F88 HydrophobicContact CG2-CE2 3.72Å; V83-F88 HydrophobicContact CG2-CZ 4.33Å; I86-F88 HydrophobicContact CB-CE2 3.64Å; I86-F88 HydrophobicContact CB-CZ 3.69Å; I86-F88 HydrophobicContact CD1-CZ 4.2Å; I86-F88 HydrophobicContact CG2-CD1 4.24Å; I86-F88 HydrophobicContact CG2-CD2 4.05Å; I86-F88 HydrophobicContact CG2-CE1 3.68Å; I86-F88 HydrophobicContact CG2-CE2 3.45Å; I86-F88 VanDerWaalsContact CG2-CE2 3.45Å; I86-F88 HydrophobicContact CG2-CG 4.4Å; I86-F88 HydrophobicContact CG2-CZ 3.25Å; I86-F88 WeakPolarHBondContact O-CE2 3.4Å
89A98.9Very high97.7Very high0 Ų024.9 Ų24.90%014%0.141CC..EExtended strand (participates in β ladder)trans-145.8152.3176.900000111.9F23 C43 V44 C45 V79 L80 L101F23-A89 HydrophobicContact CE1-CB 4.28Å; F23-A89 HydrophobicContact CZ-CB 4.24Å; C43-A89 PolarHBondContact O-N 3.36Å; C43-A89 VanDerWaalsContact O-N 3.1Å; V44-A89 WeakPolarHBondContact CA-O 3.47Å; V44-A89 HydrophobicContact CG1-CB 4.49Å; C45-A89 PolarHBondContact N-O 3.45Å; V79-A89 WeakPolarHBondContact O-CA 3.38Å; V79-A89 WeakPolarHBondContact O-CB 3.12Å; L80-A89 HydrophobicContact CD1-CB 3.95Å; A89-L101 HydrophobicContact CB-CD1 3.76Å; A89-L101 HydrophobicContact CB-CD2 4.24Å
90D98.8Very high97.7Very high15 Ų1526.9 Ų26.98%0.0815%0.15CC..EExtended strand (participates in β ladder)trans-91.8155.5168.374.2-51.4000111.5C45 I51 F78 V79 L101C45-D90 CarbonylContact O-C 3.43Å; C45-D90 WeakPolarHBondContact O-CA 3.36Å; I51-D90 HydrophobicContact CG2-CB 4.2Å; F78-D90 VanDerWaalsContact CA-OD1 3.25Å; F78-D90 WeakPolarHBondContact CA-OD1 3.4Å; F78-D90 WeakPolarHBondContact CD1-O 3.46Å; F78-D90 WeakPolarHBondContact CG-O 3.26Å; V79-D90 HydrophobicContact CG2-CB 4.31Å; V79-D90 WeakPolarHBondContact CG2-OD1 3.07Å; V79-D90 PolarHBondContact N-OD1 3.49Å; D90-L101 WeakPolarHBondContact O-CD1 3.29Å
91H98.5Very high97.7Very high1 Ų126.9 Ų26.91%0.00515%0.15CC..  trans-123.96.2-179.258.654.5000114C45 G46 S97 T98 L101 R121C45-H91 WeakPolarHBondContact CA-NE2 3.39Å; C45-H91 PolarHBondContact O-N 3.08Å; G46-H91 WeakPolarHBondContact CA-CE1 3.34Å; G46-H91 PolarHBondContact N-CE1 3.42Å; G46-H91 PolarHBondContact N-NE2 3.06Å; H91-S97 CarbonylContact O-C 3.51Å; H91-S97 VanDerWaalsContact O-CB 3.28Å; H91-S97 WeakPolarHBondContact O-CB 3.31Å; H91-S97 PolarHBondContact O-OG 2.87Å; H91-T98 HydrophobicContact CB-CG2 4.42Å; H91-L101 HydrophobicContact CB-CB 4.16Å; H91-L101 HydrophobicContact CB-CD2 3.57Å; H91-L101 HydrophobicContact CB-CG 4.43Å; H91-R121 PolarHBondContact CE1-NH1 3.15Å; H91-R121 PolarHBondContact NE2-NH1 3.13Å
92G97.4Very high97.7Very high18 Ų1826.2 Ų26.219%0.18615%0.147CC..  trans59.9-141.1-171.900000112.5G46G46-G92 WeakPolarHBondContact CA-O 3.47Å
93I94.6Very high97.7Very high127 Ų12728.2 Ų28.265%0.65116%0.158SC*.SBendtrans-125.2135.8-174.4-57.5173.7000110.6S97 M223I93-S97 WeakPolarHBondContact O-CB 3.13Å; I93-M223 HydrophobicContact CG2-CE 4.07Å; I93-M223 HydrophobicContact CG2-SD 4.01Å
94G92.7Very high97.7Very high8 Ų828.7 Ų28.78%0.08216%0.159CC..Hα-helixtrans87.516317300000115S97 T98 M223 E224G94-S97 PolarHBondContact O-N 2.98Å; G94-T98 WeakPolarHBondContact O-CB 3.35Å; G94-T98 PolarHBondContact O-N 3.44Å; G94-T98 PolarHBondContact O-OG1 3.43Å; G94-M223 CarbonylContact C-O 3.51Å; G94-M223 WeakPolarHBondContact CA-O 3.23Å; G94-E224 PolarHBondContact N-OE1 3.29Å
95I94.1Very high97.7Very high42 Ų4227.7 Ų27.722%0.21515%0.154CC..Hα-helixtrans-51.5-47178.2-70.6175.4000112.7T98 L99 M223 A226 A227I95-T98 PolarHBondContact O-N 3.49Å; I95-L99 HydrophobicContact CG2-CD1 3.74Å; I95-L99 HydrophobicContact CG2-CG 4.21Å; I95-L99 WeakPolarHBondContact O-CB 3.43Å; I95-L99 WeakPolarHBondContact O-CG 2.99Å; I95-L99 PolarHBondContact O-N 2.97Å; I95-M223 WeakPolarHBondContact CG1-O 2.91Å; I95-M223 PolarHBondContact N-O 3.2Å; I95-M223 VanDerWaalsContact N-O 3.13Å; I95-A226 HydrophobicContact CD1-CB 4.48Å; I95-A227 HydrophobicContact CB-CB 4.4Å; I95-A227 HydrophobicContact CG1-CB 4.21Å; I95-A227 HydrophobicContact CG2-CB 4.11Å
96P95.8Very high97.7Very high98 Ų9826.1 Ų26.164%0.63615%0.148SC*.Hα-helixtrans-62.6-48.8-177.4-24.835.7000113.2T98 L99 I100P96-T98 VanDerWaalsContact C-N 3.3Å; P96-T98 PolarHBondContact O-N 3.22Å; P96-L99 PolarHBondContact O-N 2.99Å; P96-I100 WeakPolarHBondContact O-CG1 3.5Å; P96-I100 PolarHBondContact O-N 3.2Å
97S98.1Very high97.6Very high31 Ų3128.1 Ų28.122%0.21716%0.156CC..Hα-helixtrans-60.8-43.2177.8-173.10000111H91 I93 G94 L99 I100 L101H91-S97 CarbonylContact O-C 3.51Å; H91-S97 VanDerWaalsContact O-CB 3.28Å; H91-S97 WeakPolarHBondContact O-CB 3.31Å; H91-S97 PolarHBondContact O-OG 2.87Å; I93-S97 WeakPolarHBondContact O-CB 3.13Å; G94-S97 PolarHBondContact O-N 2.98Å; S97-L99 PolarHBondContact O-N 3.5Å; S97-I100 WeakPolarHBondContact O-CB 3.46Å; S97-I100 PolarHBondContact O-N 3.43Å; S97-L101 PolarHBondContact O-N 3.48Å
98T98Very high97.6Very high0 Ų028.1 Ų28.10%016%0.156CC..Hα-helixtrans-63.5-42.4177.8-57.20000112.6H91 G94 I95 P96 I100 L101 M102 E224 A227 I228H91-T98 HydrophobicContact CB-CG2 4.42Å; G94-T98 WeakPolarHBondContact O-CB 3.35Å; G94-T98 PolarHBondContact O-N 3.44Å; G94-T98 PolarHBondContact O-OG1 3.43Å; I95-T98 PolarHBondContact O-N 3.49Å; P96-T98 VanDerWaalsContact C-N 3.3Å; P96-T98 PolarHBondContact O-N 3.22Å; T98-I100 VanDerWaalsContact C-N 3.28Å; T98-I100 PolarHBondContact O-N 3.28Å; T98-L101 WeakPolarHBondContact O-CB 3.43Å; T98-L101 PolarHBondContact O-N 3.02Å; T98-M102 HydrophobicContact CG2-CG 4.1Å; T98-M102 VanDerWaalsContact O-CG 3.27Å; T98-M102 WeakPolarHBondContact O-CG 3.44Å; T98-M102 PolarHBondContact O-N 2.87Å; T98-E224 HydrophobicContact CG2-CB 4.29Å; T98-E224 WeakPolarHBondContact OG1-CG 3.2Å; T98-A227 HydrophobicContact CG2-CB 4.13Å; T98-I228 HydrophobicContact CG2-CD1 4.07Å; T98-I228 HydrophobicContact CG2-CG1 3.55Å
99L98.2Very high97.6Very high23 Ų2328.1 Ų28.112%0.1216%0.156CC..Hα-helixtrans-63.6-33.6179.1-77174.1000112.5I95 P96 S97 M102 H103 L152 A227I95-L99 HydrophobicContact CG2-CD1 3.74Å; I95-L99 HydrophobicContact CG2-CG 4.21Å; I95-L99 WeakPolarHBondContact O-CB 3.43Å; I95-L99 WeakPolarHBondContact O-CG 2.99Å; I95-L99 PolarHBondContact O-N 2.97Å; P96-L99 PolarHBondContact O-N 2.99Å; S97-L99 PolarHBondContact O-N 3.5Å; L99-M102 PolarHBondContact O-N 3.43Å; L99-H103 WeakPolarHBondContact O-CB 3.48Å; L99-H103 PolarHBondContact O-CD2 2.9Å; L99-H103 PolarHBondContact O-N 2.8Å; L99-L152 HydrophobicContact CD1-CD2 3.89Å; L99-A227 HydrophobicContact CD2-CB 3.98Å; L99-A227 HydrophobicContact CG-CB 4Å
100I98.6Very high97.5Very high64 Ų6432.4 Ų32.433%0.32817%0.173SC..Hα-helixtrans-59.1-51.8172.6-62.9169.8000109.8H22 F78 P96 S97 T98 M102 H103 E104H22-I100 HydrophobicContact CB-CG2 3.97Å; H22-I100 VanDerWaalsContact CD2-CG2 3.45Å; H22-I100 WeakPolarHBondContact CD2-CG2 3.43Å; H22-I100 VanDerWaalsContact CE1-CG2 3.46Å; H22-I100 WeakPolarHBondContact CE1-CG2 3.42Å; H22-I100 VanDerWaalsContact ND1-CG2 3.32Å; H22-I100 WeakPolarHBondContact ND1-CG2 3.42Å; F78-I100 HydrophobicContact CE2-CB 4.19Å; F78-I100 HydrophobicContact CE2-CG2 3.79Å; F78-I100 HydrophobicContact CZ-CB 4.46Å; F78-I100 HydrophobicContact CZ-CG2 4.44Å; P96-I100 WeakPolarHBondContact O-CG1 3.5Å; P96-I100 PolarHBondContact O-N 3.2Å; S97-I100 WeakPolarHBondContact O-CB 3.46Å; S97-I100 PolarHBondContact O-N 3.43Å; T98-I100 VanDerWaalsContact C-N 3.28Å; T98-I100 PolarHBondContact O-N 3.28Å; I100-M102 VanDerWaalsContact C-N 3.34Å; I100-M102 PolarHBondContact O-N 3.35Å; I100-H103 PolarHBondContact O-N 3.13Å; I100-E104 PolarHBondContact O-N 3.31Å; I100-E104 VanDerWaalsContact O-N 3.17Å
101L98.6Very high97.4Very high0 Ų034.1 Ų34.10%018%0.179CC..Hα-helixtrans-55.9-50.5175.9-18075.8000110.9F23 V44 F78 A89 D90 H91 S97 T98 H103 E104 V105F23-L101 HydrophobicContact CE1-CD1 4.01Å; F23-L101 HydrophobicContact CE2-CD1 4.1Å; F23-L101 HydrophobicContact CZ-CD1 3.34Å; V44-L101 HydrophobicContact CB-CD2 4.24Å; V44-L101 HydrophobicContact CG1-CD2 3.76Å; F78-L101 HydrophobicContact CB-CD1 4.39Å; F78-L101 HydrophobicContact CD2-CB 4.36Å; F78-L101 HydrophobicContact CD2-CD1 3.97Å; F78-L101 HydrophobicContact CE2-CB 4.04Å; F78-L101 HydrophobicContact CE2-CD1 4.48Å; F78-L101 HydrophobicContact CG-CD1 4.17Å; F78-L101 HydrophobicContact CZ-CB 4.35Å; A89-L101 HydrophobicContact CB-CD1 3.76Å; A89-L101 HydrophobicContact CB-CD2 4.24Å; D90-L101 WeakPolarHBondContact O-CD1 3.29Å; H91-L101 HydrophobicContact CB-CB 4.16Å; H91-L101 HydrophobicContact CB-CD2 3.57Å; H91-L101 HydrophobicContact CB-CG 4.43Å; S97-L101 PolarHBondContact O-N 3.48Å; T98-L101 WeakPolarHBondContact O-CB 3.43Å; T98-L101 PolarHBondContact O-N 3.02Å; L101-H103 VanDerWaalsContact C-N 3.3Å; L101-H103 PolarHBondContact O-N 2.64Å; L101-E104 PolarHBondContact O-N 3.15Å; L101-V105 HydrophobicContact CD1-CG2 3.68Å; L101-V105 HydrophobicContact CG-CG2 3.88Å; L101-V105 WeakPolarHBondContact O-CG2 3.18Å; L101-V105 PolarHBondContact O-N 2.84Å
102M98.5Very high97.4Very high0 Ų034.3 Ų34.30%018%0.18CC..Hα-helixtrans-59.6-41-176-66.8-51.9-61.800111.8T98 L99 I100 T106 F119 I228 H231 C232T98-M102 HydrophobicContact CG2-CG 4.1Å; T98-M102 VanDerWaalsContact O-CG 3.27Å; T98-M102 WeakPolarHBondContact O-CG 3.44Å; T98-M102 PolarHBondContact O-N 2.87Å; L99-M102 PolarHBondContact O-N 3.43Å; I100-M102 VanDerWaalsContact C-N 3.34Å; I100-M102 PolarHBondContact O-N 3.35Å; M102-T106 HydrophobicContact CE-CG2 4.48Å; M102-T106 VanDerWaalsContact O-CB 3.32Å; M102-T106 WeakPolarHBondContact O-CB 3.47Å; M102-T106 WeakPolarHBondContact O-CG2 3.17Å; M102-T106 PolarHBondContact O-N 2.94Å; M102-T106 PolarHBondContact O-OG1 3.5Å; M102-F119 HydrophobicContact CE-CD1 3.66Å; M102-F119 HydrophobicContact CE-CE1 3.61Å; M102-F119 HydrophobicContact CE-CG 4.28Å; M102-F119 HydrophobicContact CE-CZ 4.2Å; M102-F119 HydrophobicContact SD-CD1 4.09Å; M102-F119 HydrophobicContact SD-CE1 4.09Å; M102-I228 HydrophobicContact CE-CG2 4.36Å; M102-I228 HydrophobicContact SD-CG1 4.18Å; M102-I228 HydrophobicContact SD-CG2 4.42Å; M102-H231 HydrophobicContact CB-CB 4.31Å; M102-H231 HydrophobicContact CE-CB 4.41Å; M102-H231 HydrophobicContact CG-CB 4.49Å; M102-C232 WeakPolarHBondContact CE-SG 3.38Å
103H98.4Very high97.4Very high96 Ų9635.4 Ų35.444%0.44419%0.192SC..Hα-helixtrans-62.3-47.2175.8-88.5-75.2000112.2L99 I100 L101 T106 K107 H231L99-H103 WeakPolarHBondContact O-CB 3.48Å; L99-H103 PolarHBondContact O-CD2 2.9Å; L99-H103 PolarHBondContact O-N 2.8Å; I100-H103 PolarHBondContact O-N 3.13Å; L101-H103 VanDerWaalsContact C-N 3.3Å; L101-H103 PolarHBondContact O-N 2.64Å; H103-T106 PolarHBondContact O-OG1 2.76Å; H103-K107 WeakPolarHBondContact O-CB 3.1Å; H103-K107 WeakPolarHBondContact O-CG 3.23Å; H103-K107 PolarHBondContact O-N 2.84Å; H103-H231 AromaticContact CD2-CE1 3.67Å; H103-H231 AromaticContact CE1-CE1 3.7Å; H103-H231 AromaticContact CG-CE1 3.76Å; H103-H231 AromaticContact ND1-CE1 3.78Å; H103-H231 AromaticContact NE2-CE1 3.6Å
104E98.6Very high97.5Very high13 Ų1329.7 Ų29.76%0.06116%0.163CC..Hα-helixtrans-70.7-43.9-179-76.5-166.8-164.700112.3F20 H21 H22 F23 I100 L101 T106 K107 L108F20-E104 HydrophobicContact CD1-CB 3.91Å; F20-E104 HydrophobicContact CD1-CG 4.13Å; F20-E104 WeakPolarHBondContact CE1-O 3.39Å; H21-E104 PolarHBondContact N-OE1 3.12Å; H21-E104 VanDerWaalsContact N-OE1 3.16Å; H22-E104 WeakPolarHBondContact CB-OE1 3.48Å; H22-E104 IonicContact CE1-OE1 2.66Å; H22-E104 IonicContact CG-OE1 2.94Å; H22-E104 PolarHBondContact N-OE1 2.74Å; H22-E104 PolarHBondContact N-OE2 2.75Å; H22-E104 IonicContact ND1-OE1 3.93Å; H22-E104 PolarHBondContact ND1-OE1 3.34Å; F23-E104 HydrophobicContact CD2-CB 3.81Å; F23-E104 VanDerWaalsContact CD2-OE2 3.25Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.08Å; F23-E104 HydrophobicContact CE2-CB 3.75Å; F23-E104 PolarHBondContact N-OE2 3.43Å; F23-E104 VanDerWaalsContact N-OE2 3.12Å; I100-E104 PolarHBondContact O-N 3.31Å; I100-E104 VanDerWaalsContact O-N 3.17Å; L101-E104 PolarHBondContact O-N 3.15Å; E104-T106 PolarHBondContact O-N 3.02Å; E104-K107 PolarHBondContact O-N 2.89Å; E104-L108 PolarHBondContact O-N 3.49Å
105V98.6Very high97.7Very high0 Ų036.1 Ų36.10%019%0.189CC..Hα-helixtrans-65.7-42.7179.1176.90000111.6F23 V42 L87 L101 K107 L108 L109 F119F23-V105 HydrophobicContact CE2-CG2 3.69Å; F23-V105 HydrophobicContact CZ-CG2 3.61Å; V42-V105 HydrophobicContact CG1-CG1 4.16Å; V42-V105 HydrophobicContact CG2-CG1 4.32Å; L87-V105 HydrophobicContact CD2-CG1 4.36Å; L101-V105 HydrophobicContact CD1-CG2 3.68Å; L101-V105 HydrophobicContact CG-CG2 3.88Å; L101-V105 WeakPolarHBondContact O-CG2 3.18Å; L101-V105 PolarHBondContact O-N 2.84Å; V105-K107 PolarHBondContact O-N 3.19Å; V105-L108 WeakPolarHBondContact O-CB 3.32Å; V105-L108 PolarHBondContact O-N 2.85Å; V105-L108 VanDerWaalsContact O-N 3.16Å; V105-L109 HydrophobicContact CG1-CD1 4.31Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CG 3.49Å; V105-L109 PolarHBondContact O-N 3.38Å; V105-F119 HydrophobicContact CB-CE1 4.36Å; V105-F119 HydrophobicContact CG1-CE1 3.73Å; V105-F119 HydrophobicContact CG1-CZ 3.72Å
106T98.3Very high97.9Very high12 Ų1238.2 Ų38.27%0.07420%0.2CC..Hα-helixtrans-68.8-33.1-179.857.50000112.7M102 H103 E104 L109 Y110 F119 H231 T235M102-T106 HydrophobicContact CE-CG2 4.48Å; M102-T106 VanDerWaalsContact O-CB 3.32Å; M102-T106 WeakPolarHBondContact O-CB 3.47Å; M102-T106 WeakPolarHBondContact O-CG2 3.17Å; M102-T106 PolarHBondContact O-N 2.94Å; M102-T106 PolarHBondContact O-OG1 3.5Å; H103-T106 PolarHBondContact O-OG1 2.76Å; E104-T106 PolarHBondContact O-N 3.02Å; T106-L109 PolarHBondContact O-N 3.18Å; T106-Y110 WeakPolarHBondContact O-CB 3.06Å; T106-Y110 PolarHBondContact O-N 2.78Å; T106-F119 HydrophobicContact CG2-CZ 4Å; T106-H231 PolarHBondContact OG1-NE2 2.99Å; T106-T235 HydrophobicContact CG2-CG2 4.18Å
107K97.9Very high98Very high42 Ų4233.6 Ų33.618%0.18317%0.17CC..Hα-helixtrans-63.4-43.3167.8-75.3-166.1-501670111.8L12 D18 F20 H103 E104 V105 L109 Y110 Y111L12-K107 HydrophobicContact CD1-CD 4.11Å; L12-K107 HydrophobicContact CD1-CG 3.99Å; L12-K107 HydrophobicContact CD2-CD 3.61Å; L12-K107 HydrophobicContact CD2-CG 4.42Å; D18-K107 IonicContact OD1-NZ 3.54Å; D18-K107 PolarHBondContact OD1-NZ 2.89Å; D18-K107 VanDerWaalsContact OD2-CD 3.29Å; D18-K107 WeakPolarHBondContact OD2-CD 3.28Å; D18-K107 VanDerWaalsContact OD2-CE 3.25Å; D18-K107 WeakPolarHBondContact OD2-CE 3.16Å; D18-K107 IonicContact OD2-NZ 2.73Å; D18-K107 PolarHBondContact OD2-NZ 2.85Å; F20-K107 HydrophobicContact CE1-CB 3.77Å; F20-K107 HydrophobicContact CZ-CB 4.15Å; H103-K107 WeakPolarHBondContact O-CB 3.1Å; H103-K107 WeakPolarHBondContact O-CG 3.23Å; H103-K107 PolarHBondContact O-N 2.84Å; E104-K107 PolarHBondContact O-N 2.89Å; V105-K107 PolarHBondContact O-N 3.19Å; K107-L109 VanDerWaalsContact C-N 3.35Å; K107-L109 PolarHBondContact O-N 2.59Å; K107-Y110 WeakPolarHBondContact O-CB 3.19Å; K107-Y110 PolarHBondContact O-N 3.17Å; K107-Y110 VanDerWaalsContact O-N 3.14Å; K107-Y111 HydrophobicContact CB-CE2 4.35Å; K107-Y111 WeakPolarHBondContact O-CD2 3.38Å; K107-Y111 PolarHBondContact O-N 2.73Å
108L98.3Very high98Very high0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-57.2-49.7175.9176.1162.7000110.7F20 F25 F32 F36 L80 L87 E104 V105 Y110 Y111 A112F20-L108 HydrophobicContact CE1-CB 3.91Å; F20-L108 HydrophobicContact CZ-CB 4.25Å; F25-L108 HydrophobicContact CE2-CD1 4.29Å; F25-L108 HydrophobicContact CZ-CD1 3.97Å; F32-L108 HydrophobicContact CD1-CB 4.49Å; F32-L108 HydrophobicContact CD1-CG 4.01Å; F32-L108 HydrophobicContact CE1-CB 4.09Å; F32-L108 HydrophobicContact CE1-CD1 4.4Å; F32-L108 HydrophobicContact CE1-CG 3.78Å; F36-L108 HydrophobicContact CB-CD2 3.93Å; F36-L108 HydrophobicContact CD1-CD2 4.2Å; F36-L108 HydrophobicContact CD2-CD1 4.38Å; F36-L108 HydrophobicContact CD2-CD2 3.94Å; F36-L108 HydrophobicContact CD2-CG 4.14Å; F36-L108 HydrophobicContact CE1-CD1 4.44Å; F36-L108 HydrophobicContact CE2-CD1 4.1Å; F36-L108 HydrophobicContact CE2-CD2 4.47Å; F36-L108 HydrophobicContact CE2-CG 4.29Å; F36-L108 HydrophobicContact CG-CD2 3.78Å; F36-L108 HydrophobicContact CG-CG 4.46Å; F36-L108 HydrophobicContact CZ-CD1 4.13Å; L80-L108 HydrophobicContact CD2-CD1 3.99Å; L87-L108 HydrophobicContact CD2-CD2 4.17Å; E104-L108 PolarHBondContact O-N 3.49Å; V105-L108 WeakPolarHBondContact O-CB 3.32Å; V105-L108 PolarHBondContact O-N 2.85Å; V105-L108 VanDerWaalsContact O-N 3.16Å; L108-Y110 VanDerWaalsContact C-N 3.28Å; L108-Y110 PolarHBondContact O-N 3.28Å; L108-Y111 PolarHBondContact O-N 2.9Å; L108-A112 VanDerWaalsContact O-CB 3.3Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.94Å
109L98.3Very high98.1Very high0 Ų032.1 Ų32.10%016%0.16CC..Hα-helixtrans-60.8-37.4176.7-66.4179.3000112.1V39 V42 V105 T106 K107 A112 G113 C114 V117 F119V39-L109 HydrophobicContact CB-CD2 4.23Å; V39-L109 HydrophobicContact CG1-CD2 3.89Å; V42-L109 HydrophobicContact CG2-CD1 4.23Å; V105-L109 HydrophobicContact CG1-CD1 4.31Å; V105-L109 HydrophobicContact CG1-CG 4.37Å; V105-L109 WeakPolarHBondContact O-CG 3.49Å; V105-L109 PolarHBondContact O-N 3.38Å; T106-L109 PolarHBondContact O-N 3.18Å; K107-L109 VanDerWaalsContact C-N 3.35Å; K107-L109 PolarHBondContact O-N 2.59Å; L109-A112 PolarHBondContact O-N 2.8Å; L109-G113 PolarHBondContact O-N 3.2Å; L109-G113 VanDerWaalsContact O-N 3.1Å; L109-C114 HydrophobicContact CB-CB 4.06Å; L109-C114 HydrophobicContact CD2-CB 3.96Å; L109-C114 PolarHBondContact O-N 2.8Å; L109-V117 HydrophobicContact CD1-CB 4Å; L109-V117 HydrophobicContact CD1-CG1 3.93Å; L109-V117 HydrophobicContact CD1-CG2 4.04Å; L109-V117 HydrophobicContact CD2-CG2 4.27Å; L109-F119 HydrophobicContact CD1-CE2 3.62Å; L109-F119 HydrophobicContact CD1-CZ 3.59Å
110Y97Very high98.1Very high90 Ų9031 Ų3135%0.35315%0.154SC..Hα-helixtrans-61.6-51.5174.8168.9-97.5000111.9V8 L12 T106 K107 L108 A112 G113V8-Y110 HydrophobicContact CB-CE2 4.43Å; V8-Y110 HydrophobicContact CG1-CD2 4.17Å; V8-Y110 HydrophobicContact CG1-CE2 3.42Å; V8-Y110 VanDerWaalsContact CG1-CE2 3.42Å; V8-Y110 HydrophobicContact CG2-CD2 4.45Å; V8-Y110 HydrophobicContact CG2-CE2 4.11Å; L12-Y110 HydrophobicContact CD1-CD1 4.2Å; L12-Y110 HydrophobicContact CD1-CE1 4.3Å; T106-Y110 WeakPolarHBondContact O-CB 3.06Å; T106-Y110 PolarHBondContact O-N 2.78Å; K107-Y110 WeakPolarHBondContact O-CB 3.19Å; K107-Y110 PolarHBondContact O-N 3.17Å; K107-Y110 VanDerWaalsContact O-N 3.14Å; L108-Y110 VanDerWaalsContact C-N 3.28Å; L108-Y110 PolarHBondContact O-N 3.28Å; Y110-A112 VanDerWaalsContact C-N 3.28Å; Y110-A112 PolarHBondContact O-N 2.87Å; Y110-G113 PolarHBondContact O-N 2.84Å; Y110-G113 VanDerWaalsContact O-N 3.07Å
111Y97.6Very high98.1Very high52 Ų5228.3 Ų28.320%0.20414%0.14CC..Hα-helixtrans-65.3-31.8177.6-70.2-64.5000112.8D18 F20 T27 K107 L108 G113D18-Y111 HydrophobicContact CB-CE2 3.96Å; D18-Y111 WeakPolarHBondContact CB-OH 3.41Å; D18-Y111 WeakPolarHBondContact OD2-CE2 3.49Å; D18-Y111 PolarHBondContact OD2-OH 3.08Å; F20-Y111 HydrophobicContact CE2-CD2 4.48Å; F20-Y111 AromaticContact CZ-CD2 3.87Å; F20-Y111 HydrophobicContact CZ-CD2 3.87Å; F20-Y111 HydrophobicContact CZ-CE2 4.08Å; T27-Y111 HydrophobicContact CG2-CD1 4.21Å; T27-Y111 HydrophobicContact CG2-CD2 3.76Å; T27-Y111 HydrophobicContact CG2-CE1 4.18Å; T27-Y111 HydrophobicContact CG2-CE2 3.73Å; T27-Y111 HydrophobicContact CG2-CG 4.01Å; K107-Y111 HydrophobicContact CB-CE2 4.35Å; K107-Y111 WeakPolarHBondContact O-CD2 3.38Å; K107-Y111 PolarHBondContact O-N 2.73Å; L108-Y111 PolarHBondContact O-N 2.9Å; Y111-G113 PolarHBondContact O-N 2.81Å
112A98.1Very high98.1Very high4 Ų428.5 Ų28.53%0.03314%0.141CC..Hα-helixtrans-73.9-11.4174.400000113.8F32 F36 G37 L108 L109 Y110 C114F32-A112 HydrophobicContact CB-CB 4.36Å; F32-A112 VanDerWaalsContact O-CB 3.28Å; F32-A112 WeakPolarHBondContact O-CB 3.32Å; F36-A112 HydrophobicContact CB-CB 3.71Å; G37-A112 WeakPolarHBondContact CA-O 3.39Å; L108-A112 VanDerWaalsContact O-CB 3.3Å; L108-A112 WeakPolarHBondContact O-CB 3.44Å; L108-A112 PolarHBondContact O-N 2.94Å; L109-A112 PolarHBondContact O-N 2.8Å; Y110-A112 VanDerWaalsContact C-N 3.28Å; Y110-A112 PolarHBondContact O-N 2.87Å; A112-C114 VanDerWaalsContact C-N 3.3Å; A112-C114 PolarHBondContact O-N 2.77Å
113G96.9Very high98Very high41 Ų4128.6 Ų28.642%0.42314%0.142SC..THydrogen-bonded Turntrans76.512.7-177.500000114.6L109 Y110 Y111L109-G113 PolarHBondContact O-N 3.2Å; L109-G113 VanDerWaalsContact O-N 3.1Å; Y110-G113 PolarHBondContact O-N 2.84Å; Y110-G113 VanDerWaalsContact O-N 3.07Å; Y111-G113 PolarHBondContact O-N 2.81Å
114C97.9Very high97.8Very high7 Ų726.1 Ų26.15%0.04713%0.133CC..  trans-66.2143.8178.8-55.50000111.1F36 L109 A112 V117F36-C114 PolarHBondContact O-SG 2.95Å; L109-C114 HydrophobicContact CB-CB 4.06Å; L109-C114 HydrophobicContact CD2-CB 3.96Å; L109-C114 PolarHBondContact O-N 2.8Å; A112-C114 VanDerWaalsContact C-N 3.3Å; A112-C114 PolarHBondContact O-N 2.77Å; C114-V117 HydrophobicContact CB-CG2 3.68Å
115K96.3Very high97.6Very high144 Ų14425.7 Ų25.763%0.62613%0.132SC*.  trans-133.2145.6179.5-57.8-64.2174.8-169.10109.7V117K115-V117 PolarHBondContact O-N 3.47Å
116D97.1Very high97.3Very high86 Ų8626.3 Ų26.346%0.4614%0.135SC..SBendtrans50.541174.6-169.740.8000114.5R238D116-R238 PolarHBondContact O-NH2 3.31Å; D116-R238 VanDerWaalsContact OD1-CD 3.27Å; D116-R238 WeakPolarHBondContact OD1-CD 3.25Å; D116-R238 WeakPolarHBondContact OD1-CG 3.43Å; D116-R238 IonicContact OD1-CZ 3.74Å; D116-R238 IonicContact OD1-NE 3.21Å; D116-R238 PolarHBondContact OD1-NE 3.45Å; D116-R238 IonicContact OD2-CZ 3.8Å; D116-R238 IonicContact OD2-NE 2.74Å; D116-R238 PolarHBondContact OD2-NE 2.93Å; D116-R238 IonicContact OD2-NH2 3.97Å
117V98.6Very high97Very high0 Ų025.7 Ų25.70%013%0.132CC..  trans-70.4138.3177.9177.80000109.9V39 V42 L109 C114 K115 F119 H237 R238V39-V117 HydrophobicContact CG1-CG1 4.34Å; V42-V117 HydrophobicContact CG2-CG1 3.65Å; L109-V117 HydrophobicContact CD1-CB 4Å; L109-V117 HydrophobicContact CD1-CG1 3.93Å; L109-V117 HydrophobicContact CD1-CG2 4.04Å; L109-V117 HydrophobicContact CD2-CG2 4.27Å; C114-V117 HydrophobicContact CB-CG2 3.68Å; K115-V117 PolarHBondContact O-N 3.47Å; V117-F119 HydrophobicContact CB-CE2 4.45Å; V117-F119 HydrophobicContact CG1-CD2 4.36Å; V117-F119 HydrophobicContact CG1-CE2 4.15Å; V117-H237 WeakPolarHBondContact O-CB 3.4Å; V117-R238 PolarHBondContact O-N 2.96Å
118L98.8Very high96.7Very high0 Ų023.7 Ų23.70%012%0.123CC..EExtended strand (participates in β ladder)trans-93.7113.3175.8178.463.8000110.8K40 F41 V42 I120 D166 A169 R238 I240 Y276K40-L118 PolarHBondContact O-N 2.98Å; F41-L118 WeakPolarHBondContact CA-O 3.39Å; F41-L118 HydrophobicContact CD1-CB 3.94Å; F41-L118 HydrophobicContact CD1-CD2 4.05Å; F41-L118 HydrophobicContact CD1-CG 4.38Å; F41-L118 HydrophobicContact CE1-CB 4.27Å; F41-L118 HydrophobicContact CE1-CD2 3.98Å; V42-L118 PolarHBondContact N-O 3.21Å; L118-I120 HydrophobicContact CD2-CD1 4.01Å; L118-I120 HydrophobicContact CD2-CG1 4.09Å; L118-I120 HydrophobicContact CG-CD1 4.3Å; L118-I120 HydrophobicContact CG-CG1 3.88Å; L118-D166 HydrophobicContact CD1-CB 4.43Å; L118-A169 HydrophobicContact CD2-CB 4.11Å; L118-R238 HydrophobicContact CD1-CB 3.68Å; L118-I240 HydrophobicContact CD1-CG1 4.21Å; L118-I240 HydrophobicContact CD1-CG2 4.25Å; L118-I240 HydrophobicContact CD2-CD1 4.32Å; L118-Y276 HydrophobicContact CD2-CE1 4.02Å
119F98.9Very high96.4Very high0 Ų025.3 Ų25.30%014%0.139CC..EExtended strand (participates in β ladder)trans-82.7129.9169.5-75.8-109.9000110V42 M102 V105 T106 L109 V117 I228 C232 H237 R238 A239 I240V42-F119 HydrophobicContact CB-CD1 3.82Å; V42-F119 HydrophobicContact CB-CD2 4.41Å; V42-F119 HydrophobicContact CB-CE1 3.9Å; V42-F119 HydrophobicContact CB-CE2 4.46Å; V42-F119 HydrophobicContact CB-CG 4.1Å; V42-F119 HydrophobicContact CB-CZ 4.23Å; V42-F119 HydrophobicContact CG1-CD1 3.82Å; V42-F119 HydrophobicContact CG1-CE1 3.74Å; V42-F119 HydrophobicContact CG1-CZ 4.42Å; V42-F119 HydrophobicContact CG2-CE1 4.18Å; V42-F119 HydrophobicContact CG2-CE2 4.24Å; V42-F119 HydrophobicContact CG2-CZ 4.04Å; V42-F119 CarbonylContact O-C 3.59Å; V42-F119 WeakPolarHBondContact O-CA 3.31Å; M102-F119 HydrophobicContact CE-CD1 3.66Å; M102-F119 HydrophobicContact CE-CE1 3.61Å; M102-F119 HydrophobicContact CE-CG 4.28Å; M102-F119 HydrophobicContact CE-CZ 4.2Å; M102-F119 HydrophobicContact SD-CD1 4.09Å; M102-F119 HydrophobicContact SD-CE1 4.09Å; V105-F119 HydrophobicContact CB-CE1 4.36Å; V105-F119 HydrophobicContact CG1-CE1 3.73Å; V105-F119 HydrophobicContact CG1-CZ 3.72Å; T106-F119 HydrophobicContact CG2-CZ 4Å; L109-F119 HydrophobicContact CD1-CE2 3.62Å; L109-F119 HydrophobicContact CD1-CZ 3.59Å; V117-F119 HydrophobicContact CB-CE2 4.45Å; V117-F119 HydrophobicContact CG1-CD2 4.36Å; V117-F119 HydrophobicContact CG1-CE2 4.15Å; F119-I228 HydrophobicContact CB-CG2 4.37Å; F119-C232 VanDerWaalsContact CD2-SG 3.52Å; F119-C232 VanDerWaalsContact CG-SG 3.51Å; F119-H237 HydrophobicContact CD2-CB 4.07Å; F119-H237 HydrophobicContact CE2-CB 4.01Å; F119-H237 AromaticContact CE2-CD2 3.71Å; F119-H237 AromaticContact CE2-CG 3.99Å; F119-R238 PolarHBondContact N-O 3.05Å; F119-A239 HydrophobicContact CB-CB 4.43Å; F119-A239 CarbonylContact O-C 3.29Å; F119-A239 VanDerWaalsContact O-CA 3.29Å; F119-A239 WeakPolarHBondContact O-CA 3.45Å; F119-I240 PolarHBondContact O-N 3.02Å
120I98.8Very high96.2Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-125.9108.7-178.5-50.2-179.1000108.3F41 V42 C43 V44 L118 L122 I240 V242 V273 Y276 L277F41-I120 HydrophobicContact CD1-CD1 4.23Å; V42-I120 PolarHBondContact O-N 2.76Å; C43-I120 WeakPolarHBondContact CA-O 3.48Å; V44-I120 PolarHBondContact N-O 3.36Å; L118-I120 HydrophobicContact CD2-CD1 4.01Å; L118-I120 HydrophobicContact CD2-CG1 4.09Å; L118-I120 HydrophobicContact CG-CD1 4.3Å; L118-I120 HydrophobicContact CG-CG1 3.88Å; I120-L122 HydrophobicContact CG2-CD2 4.04Å; I120-I240 HydrophobicContact CB-CD1 4.39Å; I120-I240 HydrophobicContact CB-CG1 4.11Å; I120-I240 HydrophobicContact CD1-CD1 4.21Å; I120-I240 HydrophobicContact CG1-CD1 3.88Å; I120-I240 HydrophobicContact CG1-CG1 3.83Å; I120-I240 HydrophobicContact CG2-CD1 3.96Å; I120-I240 HydrophobicContact CG2-CG1 3.94Å; I120-V242 HydrophobicContact CG2-CG2 4.29Å; I120-V273 HydrophobicContact CD1-CG1 3.95Å; I120-V273 HydrophobicContact CG2-CG1 3.92Å; I120-V273 HydrophobicContact CG2-CG2 3.86Å; I120-Y276 HydrophobicContact CD1-CD1 4.45Å; I120-L277 HydrophobicContact CD1-CD2 4.09Å
121R98.6Very high96Very high7 Ų727.3 Ų27.33%0.02615%0.151CC..EExtended strand (participates in β ladder)trans-84.4125.7172.9177.7176.8145.287.1-1110.7V44 H91 E222 E224 I228 I240 L241 V242V44-R121 HydrophobicContact CG2-CB 4.12Å; V44-R121 HydrophobicContact CG2-CG 4.5Å; V44-R121 CarbonylContact O-C 3.43Å; V44-R121 WeakPolarHBondContact O-CA 3.32Å; H91-R121 PolarHBondContact CE1-NH1 3.15Å; H91-R121 PolarHBondContact NE2-NH1 3.13Å; R121-E222 IonicContact CZ-OE2 2.7Å; R121-E222 IonicContact NE-OE2 3.84Å; R121-E222 PolarHBondContact NE-OE2 2.84Å; R121-E222 IonicContact NH2-OE2 3.64Å; R121-E222 PolarHBondContact NH2-OE2 3.48Å; R121-E224 IonicContact CZ-OE2 2.82Å; R121-E224 IonicContact NE-OE2 3.52Å; R121-E224 VanDerWaalsContact NH1-CD 3.33Å; R121-E224 IonicContact NH1-OE2 3.46Å; R121-E224 PolarHBondContact NH1-OE2 3.43Å; R121-E224 IonicContact NH2-OE2 3.98Å; R121-E224 PolarHBondContact NH2-OE2 3.32Å; R121-I228 HydrophobicContact CB-CD1 3.77Å; R121-I228 HydrophobicContact CG-CD1 3.96Å; R121-I240 PolarHBondContact N-O 2.84Å; R121-L241 HydrophobicContact CB-CG 4.06Å; R121-L241 HydrophobicContact CG-CG 4.48Å; R121-V242 PolarHBondContact O-N 2.81Å; R121-V242 VanDerWaalsContact O-O 3.13Å
122L98.2Very high95.8Very high5 Ų527 Ų273%0.02616%0.155CC..EExtended strand (participates in β ladder)trans-102.977.2177.6-56.7176000109.8C43 V44 C45 R50 I51 F54 I120 V242 P269 V273C43-L122 HydrophobicContact CB-CD1 4.29Å; V44-L122 PolarHBondContact O-N 2.93Å; C45-L122 HydrophobicContact CB-CB 4.21Å; C45-L122 WeakPolarHBondContact CB-O 3.42Å; R50-L122 PolarHBondContact NH2-O 2.84Å; I51-L122 HydrophobicContact CD1-CD1 4.24Å; F54-L122 HydrophobicContact CD1-CD1 3.31Å; F54-L122 HydrophobicContact CE1-CD1 3.42Å; F54-L122 VanDerWaalsContact CE1-CD1 3.42Å; F54-L122 HydrophobicContact CG-CD1 3.96Å; F54-L122 HydrophobicContact CZ-CD1 4.13Å; I120-L122 HydrophobicContact CG2-CD2 4.04Å; L122-V242 CarbonylContact C-O 3.54Å; L122-V242 WeakPolarHBondContact CA-O 3.44Å; L122-P269 HydrophobicContact CB-CB 4.36Å; L122-P269 HydrophobicContact CD2-CB 4.1Å; L122-V273 HydrophobicContact CD2-CB 3.8Å; L122-V273 HydrophobicContact CD2-CG1 4.07Å; L122-V273 HydrophobicContact CD2-CG2 3.56Å
123G96.4Very high95.5Very high2 Ų227.6 Ų27.62%0.02116%0.162CC..EExtended strand (participates in β ladder)trans-93.1169.6-169.100000114.9V242 C243 V244G123-V242 PolarHBondContact N-O 3.1Å; G123-C243 VanDerWaalsContact O-CA 3.27Å; G123-C243 WeakPolarHBondContact O-CA 3.17Å; G123-V244 PolarHBondContact O-N 2.8Å; G123-V244 VanDerWaalsContact O-N 3.08Å
124T94.4Very high95.4Very high43 Ų4325.9 Ų25.926%0.26414%0.143SC..EExtended strand (participates in β ladder)trans-105.7154151.945.70000107.6V244 V246 F262 E266T124-V244 CarbonylContact C-O 3.52Å; T124-V244 WeakPolarHBondContact CA-O 3.21Å; T124-V244 HydrophobicContact CG2-CG1 3.84Å; T124-V246 HydrophobicContact CG2-CG1 4.14Å; T124-F262 HydrophobicContact CG2-CZ 4.46Å; T124-E266 HydrophobicContact CG2-CG 3.72Å
125S94.4Very high95.3Very high5 Ų525.7 Ų25.74%0.03514%0.141CC..EExtended strand (participates in β ladder)trans-151167.2176.656.30000110.8N220 M221 C243 V244 T245 V246S125-N220 WeakPolarHBondContact OG-CB 3.18Å; S125-N220 PolarHBondContact OG-ND2 2.86Å; S125-M221 WeakPolarHBondContact CA-O 3.37Å; S125-M221 WeakPolarHBondContact CB-O 3.4Å; S125-C243 WeakPolarHBondContact OG-CB 3.34Å; S125-V244 PolarHBondContact N-O 2.93Å; S125-V244 PolarHBondContact OG-O 2.97Å; S125-T245 CarbonylContact O-C 3.53Å; S125-T245 WeakPolarHBondContact O-CA 3.39Å; S125-V246 PolarHBondContact O-N 3.23Å
126D92.4Very high95.2Very high12 Ų1218.8 Ų18.86%0.06411%0.112CC..EExtended strand (participates in β ladder)trans-91.3130.6168.5-57.1-45.4000109.1L191 R193 N220 M221 V247 R249D126-L191 HydrophobicContact CB-CD2 3.74Å; D126-L191 VanDerWaalsContact OD2-CD1 3.27Å; D126-L191 WeakPolarHBondContact OD2-CD1 3.33Å; D126-L191 WeakPolarHBondContact OD2-CD2 3.29Å; D126-R193 IonicContact OD1-CZ 2.69Å; D126-R193 IonicContact OD1-NH2 2.69Å; D126-R193 PolarHBondContact OD1-NH2 3.4Å; D126-R193 IonicContact OD2-CZ 2.83Å; D126-R193 IonicContact OD2-NH1 2.8Å; D126-R193 PolarHBondContact OD2-NH1 3.13Å; D126-R193 IonicContact OD2-NH2 3.16Å; D126-R193 PolarHBondContact OD2-NH2 2.72Å; D126-N220 CarbonylContact O-C 3.48Å; D126-N220 VanDerWaalsContact O-C 3.27Å; D126-N220 WeakPolarHBondContact O-CA 3.42Å; D126-N220 WeakPolarHBondContact O-CB 2.99Å; D126-M221 PolarHBondContact N-O 2.85Å; D126-M221 PolarHBondContact O-N 2.83Å; D126-V247 HydrophobicContact CB-CG1 3.71Å; D126-V247 WeakPolarHBondContact OD1-CG1 3.43Å; D126-R249 HydrophobicContact CB-CG 3.51Å
127G92.4Very high95.2Very high0 Ų014.9 Ų14.90%09%0.091CC..EExtended strand (participates in β ladder)trans-78.9157.4178.300000112.9R219 T245 V247 R249G127-R219 CarbonylContact C-O 3.58Å; G127-R219 WeakPolarHBondContact CA-O 3.17Å; G127-T245 VanDerWaalsContact CA-CG2 3.46Å; G127-V247 VanDerWaalsContact CA-O 3.29Å; G127-V247 WeakPolarHBondContact CA-O 3.3Å; G127-V247 PolarHBondContact N-O 3.43Å; G127-R249 PolarHBondContact O-N 3.06Å
128L91.5Very high95Very high0 Ų014.9 Ų14.90%09%0.091CC..SBendtrans-133.3106.5175.4-167.670.8000109.4V130 L210 V213 Y214 R219 M221 R249 L250L128-V130 PolarHBondContact O-N 2.66Å; L128-L210 HydrophobicContact CD1-CB 3.91Å; L128-L210 HydrophobicContact CD1-CD1 4.37Å; L128-L210 HydrophobicContact CD1-CD2 4.12Å; L128-L210 HydrophobicContact CD1-CG 4.35Å; L128-L210 WeakPolarHBondContact CD2-O 3.34Å; L128-V213 HydrophobicContact CD2-CB 4.01Å; L128-V213 HydrophobicContact CD2-CG1 3.58Å; L128-Y214 HydrophobicContact CD2-CD2 4.37Å; L128-Y214 HydrophobicContact CG-CD2 4.06Å; L128-Y214 WeakPolarHBondContact O-CD2 3.37Å; L128-Y214 WeakPolarHBondContact O-CE2 3.38Å; L128-R219 PolarHBondContact N-O 3.37Å; L128-M221 HydrophobicContact CB-CE 4.48Å; L128-M221 HydrophobicContact CD1-CE 4.13Å; L128-R249 HydrophobicContact CD1-CB 4.35Å; L128-L250 HydrophobicContact CD1-CD1 4.44Å; L128-L250 HydrophobicContact CD1-CD2 3.62Å; L128-L250 HydrophobicContact CD1-CG 3.67Å; L128-L250 HydrophobicContact CG-CD2 4.49Å; L128-L250 HydrophobicContact CG-CG 4.34Å
129G92.8Very high94.7Very high33 Ų3318.3 Ų18.334%0.3411%0.109SC..SBendtrans68.322-17400000113.5N248G129-N248 PolarHBondContact N-OD1 2.97Å
130V92.7Very high94.5Very high14 Ų1421.7 Ų21.79%0.08512%0.122CC..SBendtrans-133.4142.7176.9-60.70000109.7L128 T134 S185 R219 T245 N248L128-V130 PolarHBondContact O-N 2.66Å; V130-T134 HydrophobicContact CB-CG2 4.27Å; V130-S185 WeakPolarHBondContact CG1-OG 3.32Å; V130-R219 HydrophobicContact CG1-CB 4.44Å; V130-T245 HydrophobicContact CG2-CG2 3.73Å; V130-N248 WeakPolarHBondContact O-CB 3.42Å
131K93.3Very high94.3Very high119 Ų11921.8 Ų21.852%0.51712%0.122SC..  trans-65.9151.5178.865.2169.7-170.1159.40111.5T134 T245K131-T134 VanDerWaalsContact CG-OG1 3.31Å; K131-T134 WeakPolarHBondContact CG-OG1 3.33Å; K131-T134 VanDerWaalsContact O-CB 3.32Å; K131-T134 WeakPolarHBondContact O-CB 3.33Å; K131-T134 PolarHBondContact O-N 2.96Å; K131-T134 PolarHBondContact O-OG1 2.82Å; K131-T245 PolarHBondContact O-OG1 3.27Å
132P93.4Very high94Very high45 Ų4521.7 Ų21.729%0.29212%0.122SC..THydrogen-bonded Turntrans-51.5146.5165.4-25.635.2000112.2T134 T245 F265P132-T134 VanDerWaalsContact C-N 3.31Å; P132-T245 CarbonylContact C-O 3.58Å; P132-T245 WeakPolarHBondContact CA-O 3.32Å; P132-F265 HydrophobicContact CB-CE2 3.67Å; P132-F265 HydrophobicContact CB-CZ 4.27Å
133G93.1Very high93.7Very high16 Ų1622.3 Ų22.317%0.16513%0.126CC..THydrogen-bonded Turntrans81.23.1-175.300000114.7T245 F265 L268G133-T245 PolarHBondContact N-O 2.87Å; G133-F265 VanDerWaalsContact N-CE2 3.35Å; G133-L268 WeakPolarHBondContact O-CD1 3.35Å
134T93.7Very high93.2Very high6 Ų625.4 Ų25.44%0.03714%0.144CC..  trans-78.5129.7174.9-56.90000109.1V130 K131 P132 K183 V244 T245V130-T134 HydrophobicContact CB-CG2 4.27Å; K131-T134 VanDerWaalsContact CG-OG1 3.31Å; K131-T134 WeakPolarHBondContact CG-OG1 3.33Å; K131-T134 VanDerWaalsContact O-CB 3.32Å; K131-T134 WeakPolarHBondContact O-CB 3.33Å; K131-T134 PolarHBondContact O-N 2.96Å; K131-T134 PolarHBondContact O-OG1 2.82Å; P132-T134 VanDerWaalsContact C-N 3.31Å; T134-K183 HydrophobicContact CG2-CB 4.37Å; T134-K183 WeakPolarHBondContact CG2-O 3.36Å; T134-V244 CarbonylContact O-C 3.53Å; T134-V244 WeakPolarHBondContact O-CA 3.28Å; T134-T245 PolarHBondContact N-OG1 3.13Å; T134-T245 PolarHBondContact O-N 2.87Å; T134-T245 PolarHBondContact O-OG1 2.85Å
135I95.7Very high93Very high2 Ų228.6 Ų28.61%0.0115%0.154CC..EExtended strand (participates in β ladder)trans-77.1139.7170.6-61.3177.9000107.7L137 L182 K183 C184 S185 V242 C243 L268 L272I135-L137 HydrophobicContact CG2-CD2 4.04Å; I135-L182 HydrophobicContact CD1-CB 4.29Å; I135-L182 HydrophobicContact CD1-CD1 3.85Å; I135-L182 HydrophobicContact CD1-CD2 4.41Å; I135-L182 HydrophobicContact CD1-CG 4.41Å; I135-K183 PolarHBondContact N-O 3.1Å; I135-C184 CarbonylContact O-C 3.27Å; I135-C184 WeakPolarHBondContact O-CA 3.35Å; I135-S185 PolarHBondContact O-N 3.41Å; I135-V242 HydrophobicContact CG2-CG1 3.68Å; I135-C243 CarbonylContact C-O 3.56Å; I135-L268 HydrophobicContact CD1-CB 3.92Å; I135-L268 HydrophobicContact CG1-CB 4.04Å; I135-L272 HydrophobicContact CD1-CB 4.3Å; I135-L272 HydrophobicContact CD1-CD2 4.25Å; I135-L272 HydrophobicContact CG2-CD2 4.32Å
136V94Very high92.8Very high0 Ų030 Ų300%016%0.161CC..EExtended strand (participates in β ladder)trans-120.5116.8174.4176.70000108.6S185 N220 C243 T245V136-S185 CarbonylContact C-O 3.52Å; V136-S185 WeakPolarHBondContact CA-O 3.49Å; V136-S185 WeakPolarHBondContact CG1-O 3.43Å; V136-N220 HydrophobicContact CB-CB 4.13Å; V136-N220 VanDerWaalsContact CB-ND2 3.34Å; V136-N220 WeakPolarHBondContact CB-ND2 3.46Å; V136-N220 HydrophobicContact CG1-CB 4.05Å; V136-N220 VanDerWaalsContact CG1-CG 3.48Å; V136-N220 WeakPolarHBondContact CG1-ND2 3.36Å; V136-N220 HydrophobicContact CG2-CB 4.02Å; V136-C243 PolarHBondContact N-O 2.73Å; V136-C243 PolarHBondContact O-N 3.29Å; V136-T245 HydrophobicContact CG2-CG2 3.77Å
137L96.6Very high92.8Very high4 Ų432.2 Ų32.22%0.02117%0.171CC..EExtended strand (participates in β ladder)trans-92.7106.8174.4-54.8179.4000106.7I135 D139 V170 L173 K174 C184 S185 V186 V242 L272I135-L137 HydrophobicContact CG2-CD2 4.04Å; L137-D139 PolarHBondContact O-N 2.82Å; L137-V170 HydrophobicContact CB-CG1 4.12Å; L137-L173 HydrophobicContact CD1-CB 3.89Å; L137-L173 HydrophobicContact CD2-CB 4.25Å; L137-L173 HydrophobicContact CD2-CD1 4.49Å; L137-K174 HydrophobicContact CD1-CB 3.97Å; L137-C184 HydrophobicContact CD1-CB 4.26Å; L137-C184 HydrophobicContact CG-CB 4.29Å; L137-S185 PolarHBondContact N-O 2.9Å; L137-V186 WeakPolarHBondContact O-CA 3.14Å; L137-V186 WeakPolarHBondContact O-CB 3.17Å; L137-V186 WeakPolarHBondContact O-CG1 3.22Å; L137-V186 WeakPolarHBondContact O-CG2 3.39Å; L137-V242 HydrophobicContact CD2-CB 4.26Å; L137-V242 HydrophobicContact CD2-CG1 3.8Å; L137-V242 HydrophobicContact CD2-CG2 3.86Å; L137-L272 HydrophobicContact CD2-CD2 4Å
138S94.8Very high92.9Very high0 Ų034.5 Ų34.50%019%0.186CC..  trans-68.6132.1-176.1-50.10000109.6V165 V170 V188 L241S138-V165 WeakPolarHBondContact O-CG1 3.14Å; S138-V170 VanDerWaalsContact O-CG2 3.25Å; S138-V170 WeakPolarHBondContact O-CG2 3.18Å; S138-V188 WeakPolarHBondContact OG-CG2 3.39Å; S138-L241 PolarHBondContact N-O 2.78Å; S138-L241 VanDerWaalsContact OG-CB 3.28Å; S138-L241 WeakPolarHBondContact OG-CB 3.16Å
139D93.9Very high93.1Very high71 Ų7138 Ų3838%0.3820%0.2SC..SBendtrans-93.1-22.4168.460.6-7.6000111.9L137 V165 V186 V187L137-D139 PolarHBondContact O-N 2.82Å; D139-V165 WeakPolarHBondContact O-CB 3.36Å; D139-V186 HydrophobicContact CB-CG1 3.26Å; D139-V186 VanDerWaalsContact N-CG1 3.32Å; D139-V186 VanDerWaalsContact OD1-CG1 3.31Å; D139-V186 WeakPolarHBondContact OD1-CG1 3.39Å; D139-V186 WeakPolarHBondContact OD2-CG1 3.47Å; D139-V187 WeakPolarHBondContact OD1-CG2 3.25Å
140R94.1Very high93.2Very high72 Ų7236.5 Ų36.527%0.27218%0.184SC..  trans-151.2155174.972.4-171.6-141.7-102.85.4109.9V142 V187 H216R140-V142 HydrophobicContact CG-CG1 4.32Å; R140-V187 HydrophobicContact CG-CG1 4.05Å; R140-H216 PolarHBondContact NH1-O 2.64Å; R140-H216 PolarHBondContact NH2-O 3.13Å
141C94.3Very high93.3Very high1 Ų140 Ų401%0.00720%0.199CC..BIsolated β-bridgetrans-115.9136.1168.5-61.50000107.9T163C141-T163 HydrophobicContact CB-CG2 4.32Å; C141-T163 PolarHBondContact O-OG1 3.14Å
142V92.6Very high93.4Very high6 Ų636 Ų364%0.03618%0.183CC..  trans-130.2157.7179.5-62.20000110.9R140 L146 E147 P148 V188 I218R140-V142 HydrophobicContact CG-CG1 4.32Å; V142-L146 HydrophobicContact CG2-CD2 4.37Å; V142-E147 CarbonylContact C-O 3.56Å; V142-E147 WeakPolarHBondContact CA-O 3.29Å; V142-E147 WeakPolarHBondContact CB-O 3.25Å; V142-P148 HydrophobicContact CG1-CB 4.33Å; V142-V188 WeakPolarHBondContact CG2-O 3.28Å; V142-I218 HydrophobicContact CG2-CD1 3.56Å
143N91.2Very high93.6Very high17 Ų1738.4 Ų38.49%0.09120%0.2CC..  trans-75.7179.216967.614.2000111.1K145 L146 E147 E151N143-K145 PolarHBondContact O-N 3.21Å; N143-K145 VanDerWaalsContact O-N 3.14Å; N143-K145 WeakPolarHBondContact OD1-CA 3.46Å; N143-K145 WeakPolarHBondContact OD1-CB 3.4Å; N143-K145 PolarHBondContact OD1-N 3.11Å; N143-L146 WeakPolarHBondContact O-CA 3.39Å; N143-L146 PolarHBondContact O-N 3.12Å; N143-L146 PolarHBondContact OD1-N 2.97Å; N143-E147 PolarHBondContact N-O 2.89Å; N143-E147 PolarHBondContact ND2-OE2 2.74Å; N143-E147 PolarHBondContact OD1-N 3.43Å; N143-E147 PolarHBondContact OD1-O 3.22Å; N143-E151 PolarHBondContact ND2-OE1 3.48Å
144T87.1Confident93.8Very high67 Ų6740.9 Ų40.941%0.41121%0.209SC..THydrogen-bonded Turntrans-63.7-16.1177.656.70000114.8L146 E190T144-L146 VanDerWaalsContact C-N 3.27Å; T144-E190 HydrophobicContact CG2-CB 3.63Å; T144-E190 HydrophobicContact CG2-CG 3.85Å; T144-E190 WeakPolarHBondContact CG2-OE2 3.22Å
145K89.5Confident94Very high110 Ų11048.6 Ų48.648%0.47825%0.249SC..THydrogen-bonded Turntrans-88.77.5172.6-56.8-173.8-66.8-77.20112.5N143 E147 E151N143-K145 PolarHBondContact O-N 3.21Å; N143-K145 VanDerWaalsContact O-N 3.14Å; N143-K145 WeakPolarHBondContact OD1-CA 3.46Å; N143-K145 WeakPolarHBondContact OD1-CB 3.4Å; N143-K145 PolarHBondContact OD1-N 3.11Å; K145-E147 HydrophobicContact CB-CG 4.02Å; K145-E147 WeakPolarHBondContact CE-OE2 3.45Å; K145-E147 IonicContact NZ-OE2 2.79Å; K145-E147 PolarHBondContact O-N 3.34Å; K145-E151 WeakPolarHBondContact CE-OE1 3.46Å; K145-E151 IonicContact NZ-OE1 3.87Å; K145-E151 PolarHBondContact NZ-OE1 3.13Å; K145-E151 IonicContact NZ-OE2 2.73Å; K145-E151 PolarHBondContact NZ-OE2 3.38Å
146L89.6Confident94Very high35 Ų3551.7 Ų51.718%0.18328%0.282CS..SBendtrans66.221.1-178.6-49.9178.7000114.6V142 N143 T144 V213 H216 I218V142-L146 HydrophobicContact CG2-CD2 4.37Å; N143-L146 WeakPolarHBondContact O-CA 3.39Å; N143-L146 PolarHBondContact O-N 3.12Å; N143-L146 PolarHBondContact OD1-N 2.97Å; T144-L146 VanDerWaalsContact C-N 3.27Å; L146-V213 HydrophobicContact CD2-CG1 4.49Å; L146-V213 HydrophobicContact CD2-CG2 4.06Å; L146-H216 HydrophobicContact CD1-CB 3.99Å; L146-H216 WeakPolarHBondContact CD1-ND1 3.34Å; L146-I218 HydrophobicContact CD2-CD1 4.42Å; L146-I218 HydrophobicContact CD2-CG1 4.19Å
147E93Very high94.2Very high58 Ų5858.8 Ų58.827%0.27131%0.313SS..  trans-99.7140.7-179.4-47.9172113.500111.1V142 N143 K145 Y149 R160V142-E147 CarbonylContact C-O 3.56Å; V142-E147 WeakPolarHBondContact CA-O 3.29Å; V142-E147 WeakPolarHBondContact CB-O 3.25Å; N143-E147 PolarHBondContact N-O 2.89Å; N143-E147 PolarHBondContact ND2-OE2 2.74Å; N143-E147 PolarHBondContact OD1-N 3.43Å; N143-E147 PolarHBondContact OD1-O 3.22Å; K145-E147 HydrophobicContact CB-CG 4.02Å; K145-E147 WeakPolarHBondContact CE-OE2 3.45Å; K145-E147 IonicContact NZ-OE2 2.79Å; K145-E147 PolarHBondContact O-N 3.34Å; E147-Y149 HydrophobicContact CB-CD2 4.11Å; E147-Y149 PolarHBondContact O-N 3.07Å; E147-R160 IonicContact OE1-CZ 3.98Å; E147-R160 IonicContact OE1-NH2 2.88Å; E147-R160 PolarHBondContact OE1-NH2 3.34Å; E147-R160 IonicContact OE2-CZ 2.71Å; E147-R160 IonicContact OE2-NH2 2.77Å; E147-R160 PolarHBondContact OE2-NH2 3.41Å
148P94.5Very high94.2Very high48 Ų4864.4 Ų64.431%0.31235%0.35SS..SBendtrans-79.256.6-178.334.2-37.2000112.6V142 Q162 T163V142-P148 HydrophobicContact CG1-CB 4.33Å; P148-Q162 WeakPolarHBondContact O-CA 3.46Å; P148-T163 WeakPolarHBondContact CA-OG1 3.48Å; P148-T163 WeakPolarHBondContact CB-OG1 3.36Å; P148-T163 PolarHBondContact O-N 3.03Å; P148-T163 PolarHBondContact O-OG1 3.18Å; P148-T163 VanDerWaalsContact O-OG1 3.06Å
149Y95.7Very high94.4Very high73 Ų7366.7 Ų66.729%0.28636%0.363SS..EExtended strand (participates in β ladder)trans-137.9140.3-177.7-70.1-86.9000111.9E147 R160 R161 Q162E147-Y149 HydrophobicContact CB-CD2 4.11Å; E147-Y149 PolarHBondContact O-N 3.07Å; Y149-R160 HydrophobicContact CD1-CB 3.87Å; Y149-R160 HydrophobicContact CG-CB 4.4Å; Y149-R161 WeakPolarHBondContact CA-O 3.37Å; Y149-Q162 HydrophobicContact CD1-CB 4.18Å; Y149-Q162 HydrophobicContact CE1-CB 3.85Å; Y149-Q162 HydrophobicContact CE1-CG 4.33Å
150N95.2Very high94.5Very high3 Ų368.7 Ų68.72%0.01637%0.366CS..EExtended strand (participates in β ladder)trans-90129.8160.6-172.923.3000109.2R160 R161 A226 S230N150-R160 WeakPolarHBondContact O-CA 3.42Å; N150-R161 PolarHBondContact N-O 3.04Å; N150-R161 PolarHBondContact O-N 2.95Å; N150-A226 HydrophobicContact CB-CB 4.15Å; N150-S230 WeakPolarHBondContact CB-OG 3.43Å; N150-S230 PolarHBondContact ND2-OG 2.86Å
151E94Very high94.6Very high86 Ų8668 Ų6840%0.40236%0.363SS..EExtended strand (participates in β ladder)trans-105.6131-178.5-59.2-172.1168.400110N143 K145 R160N143-E151 PolarHBondContact ND2-OE1 3.48Å; K145-E151 WeakPolarHBondContact CE-OE1 3.46Å; K145-E151 IonicContact NZ-OE1 3.87Å; K145-E151 PolarHBondContact NZ-OE1 3.13Å; K145-E151 IonicContact NZ-OE2 2.73Å; K145-E151 PolarHBondContact NZ-OE2 3.38Å; E151-R160 HydrophobicContact CG-CG 4.26Å; E151-R160 IonicContact OE1-NE 2.87Å
152L96Very high94.7Very high35 Ų3573.2 Ų73.218%0.18339%0.387CS..EExtended strand (participates in β ladder)trans-131.4158.5-178.4-52.796.3000109.8L99 I154 V159 R161L99-L152 HydrophobicContact CD1-CD2 3.89Å; L152-I154 HydrophobicContact CB-CD1 4.44Å; L152-I154 HydrophobicContact CB-CG1 4.23Å; L152-V159 PolarHBondContact N-O 3.24Å; L152-V159 PolarHBondContact O-N 3.41Å; L152-R161 HydrophobicContact CD1-CB 4.43Å; L152-R161 HydrophobicContact CD1-CG 3.91Å
153C97.3Very high94.9Very high96 Ų9673.4 Ų73.465%0.64939%0.388SS*.EExtended strand (participates in β ladder)trans-113.3112.4166.3-1750000108.4G156 K157C153-G156 VanDerWaalsContact SG-CA 3.59Å; C153-K157 WeakPolarHBondContact CA-O 3.31Å
154I97.4Very high95.1Very high68 Ų6876.9 Ų76.935%0.34940%0.403SS..EExtended strand (participates in β ladder)trans-119.9119-178.1-59.9177.6000107.7L152 G156 K157 V159L152-I154 HydrophobicContact CB-CD1 4.44Å; L152-I154 HydrophobicContact CB-CG1 4.23Å; I154-G156 PolarHBondContact O-N 3.43Å; I154-K157 PolarHBondContact N-O 3.26Å; I154-K157 WeakPolarHBondContact O-CB 3.03Å; I154-K157 PolarHBondContact O-N 2.86Å; I154-V159 HydrophobicContact CB-CG2 4.06Å; I154-V159 HydrophobicContact CD1-CB 4.24Å; I154-V159 HydrophobicContact CD1-CG1 4.31Å; I154-V159 HydrophobicContact CD1-CG2 4.15Å; I154-V159 HydrophobicContact CG1-CG2 4.24Å
155L96.9Very high95.6Very high168 Ų16874.3 Ų74.388%0.8839%0.387SS*.THydrogen-bonded Turntrans53.140.6-175.4-53.6177.1000112.7K157L155-K157 PolarHBondContact O-N 3.29Å
156G96.5Very high96Very high67 Ų6770 Ų7069%0.69137%0.369SS*.THydrogen-bonded Turntrans73.92.7-178.400000114.9C153 I154C153-G156 VanDerWaalsContact SG-CA 3.59Å; I154-G156 PolarHBondContact O-N 3.43Å
157K97.9Very high96.3Very high150 Ų15071.4 Ų71.465%0.65238%0.382SS*.EExtended strand (participates in β ladder)trans-105.4135.2-179.3-62.9-179.7-179.1178.30110.9C153 I154 L155 V159C153-K157 WeakPolarHBondContact CA-O 3.31Å; I154-K157 PolarHBondContact N-O 3.26Å; I154-K157 WeakPolarHBondContact O-CB 3.03Å; I154-K157 PolarHBondContact O-N 2.86Å; L155-K157 PolarHBondContact O-N 3.29Å; K157-V159 PolarHBondContact O-N 3.36Å
158P97.6Very high96.5Very high122 Ų12274.1 Ų74.179%0.79240%0.398SS*.EExtended strand (participates in β ladder)trans-66.9131.7173.828.5-33.6000110
159V97.8Very high96.6Very high47 Ų4771.9 Ų71.929%0.28538%0.384SS..EExtended strand (participates in β ladder)trans-129.1134.3177.7177.70000108.5L152 I154 K157 R161L152-V159 PolarHBondContact N-O 3.24Å; L152-V159 PolarHBondContact O-N 3.41Å; I154-V159 HydrophobicContact CB-CG2 4.06Å; I154-V159 HydrophobicContact CD1-CB 4.24Å; I154-V159 HydrophobicContact CD1-CG1 4.31Å; I154-V159 HydrophobicContact CD1-CG2 4.15Å; I154-V159 HydrophobicContact CG1-CG2 4.24Å; K157-V159 PolarHBondContact O-N 3.36Å; V159-R161 HydrophobicContact CG1-CG 4.45Å
160R96.9Very high96.6Very high114 Ų11468.8 Ų68.843%0.4337%0.373SS..EExtended strand (participates in β ladder)trans-115.7134176.1-57.8179.674.2-157.39.1109.6E147 Y149 N150 E151E147-R160 IonicContact OE1-CZ 3.98Å; E147-R160 IonicContact OE1-NH2 2.88Å; E147-R160 PolarHBondContact OE1-NH2 3.34Å; E147-R160 IonicContact OE2-CZ 2.71Å; E147-R160 IonicContact OE2-NH2 2.77Å; E147-R160 PolarHBondContact OE2-NH2 3.41Å; Y149-R160 HydrophobicContact CD1-CB 3.87Å; Y149-R160 HydrophobicContact CG-CB 4.4Å; N150-R160 WeakPolarHBondContact O-CA 3.42Å; E151-R160 HydrophobicContact CG-CG 4.26Å; E151-R160 IonicContact OE1-NE 2.87Å
161R96.2Very high96.6Very high57 Ų5772.7 Ų72.722%0.21539%0.393CS..EExtended strand (participates in β ladder)trans-121.9121.3177.3-64.1178.3167.3170.9-0.8109.5Y149 N150 L152 V159 T163 L234Y149-R161 WeakPolarHBondContact CA-O 3.37Å; N150-R161 PolarHBondContact N-O 3.04Å; N150-R161 PolarHBondContact O-N 2.95Å; L152-R161 HydrophobicContact CD1-CB 4.43Å; L152-R161 HydrophobicContact CD1-CG 3.91Å; V159-R161 HydrophobicContact CG1-CG 4.45Å; R161-T163 PolarHBondContact O-N 3.13Å; R161-L234 HydrophobicContact CB-CD1 4.26Å; R161-L234 VanDerWaalsContact CD-CD1 3.41Å; R161-L234 HydrophobicContact CG-CD1 3.76Å
162Q96.8Very high96.6Very high110 Ų11072.5 Ų72.551%0.51439%0.392SS..EExtended strand (participates in β ladder)trans-65.3130.7-178.1-170.7178.512.700110.9P148 Y149 N233P148-Q162 WeakPolarHBondContact O-CA 3.46Å; Y149-Q162 HydrophobicContact CD1-CB 4.18Å; Y149-Q162 HydrophobicContact CE1-CB 3.85Å; Y149-Q162 HydrophobicContact CE1-CG 4.33Å; Q162-N233 PolarHBondContact O-ND2 2.89Å
163T96Very high96.6Very high11 Ų1170.9 Ų70.97%0.06738%0.384CS..  trans-76.3137.1174.2570000110.4C141 P148 R161 A226 T229C141-T163 HydrophobicContact CB-CG2 4.32Å; C141-T163 PolarHBondContact O-OG1 3.14Å; P148-T163 WeakPolarHBondContact CA-OG1 3.48Å; P148-T163 WeakPolarHBondContact CB-OG1 3.36Å; P148-T163 PolarHBondContact O-N 3.03Å; P148-T163 PolarHBondContact O-OG1 3.18Å; P148-T163 VanDerWaalsContact O-OG1 3.06Å; R161-T163 PolarHBondContact O-N 3.13Å; T163-A226 HydrophobicContact CG2-CB 4.18Å; T163-T229 VanDerWaalsContact CB-OG1 3.28Å; T163-T229 WeakPolarHBondContact CB-OG1 3.47Å; T163-T229 WeakPolarHBondContact CG2-OG1 3.28Å
164K96.5Very high96.4Very high89 Ų8971 Ų7139%0.38737%0.373SS..  trans-135.8121.5174.2-169.5179.2-179.8-177.30110.8T229 N233K164-T229 PolarHBondContact N-O 3.44Å; K164-T229 WeakPolarHBondContact O-CB 3.38Å; K164-N233 HydrophobicContact CB-CB 3.89Å; K164-N233 WeakPolarHBondContact CD-OD1 3.33Å
165V96.9Very high96.1Very high13 Ų1374.4 Ų74.48%0.07939%0.386CS..  trans-97144.3172.6178.60000109.2S138 D139 S167 V170 T229 A239 I240S138-V165 WeakPolarHBondContact O-CG1 3.14Å; D139-V165 WeakPolarHBondContact O-CB 3.36Å; V165-S167 PolarHBondContact O-N 3.27Å; V165-S167 VanDerWaalsContact O-N 3.16Å; V165-V170 HydrophobicContact CG1-CG2 3.7Å; V165-T229 HydrophobicContact CG2-CG2 3.79Å; V165-A239 WeakPolarHBondContact CA-O 3.45Å; V165-I240 HydrophobicContact CG1-CG2 4.17Å
166D97.9Very high95.9Very high20 Ų2066.9 Ų66.911%0.10735%0.346CS..  trans-76.695.8170.1-178.1-3.9000111.3L118 N168 A169 V170 R238 A239 I240L118-D166 HydrophobicContact CD1-CB 4.43Å; D166-N168 PolarHBondContact O-N 3.45Å; D166-N168 WeakPolarHBondContact OD1-CB 3.41Å; D166-N168 PolarHBondContact OD1-N 2.75Å; D166-A169 HydrophobicContact CB-CB 4.22Å; D166-A169 PolarHBondContact O-N 3.31Å; D166-A169 PolarHBondContact OD1-N 2.73Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 3.23Å; D166-V170 VanDerWaalsContact O-N 3.1Å; D166-R238 HydrophobicContact CB-CB 4.11Å; D166-R238 HydrophobicContact CB-CG 4.5Å; D166-R238 VanDerWaalsContact OD2-CD 3.3Å; D166-R238 WeakPolarHBondContact OD2-CD 3.47Å; D166-R238 IonicContact OD2-CZ 3.96Å; D166-R238 IonicContact OD2-NE 3.82Å; D166-R238 IonicContact OD2-NH1 3.01Å; D166-R238 PolarHBondContact OD2-NH1 3.3Å; D166-A239 PolarHBondContact N-O 2.84Å; D166-I240 HydrophobicContact CB-CG2 3.89Å
167S95.9Very high95.6Very high64 Ų6463.9 Ų63.945%0.44832%0.315SS..Hα-helixtrans-62.7-26.1179.4-48.20000113.6V165 N171V165-S167 PolarHBondContact O-N 3.27Å; V165-S167 VanDerWaalsContact O-N 3.16Å; S167-N171 WeakPolarHBondContact O-CB 3.45Å; S167-N171 PolarHBondContact O-N 3.35Å; S167-N171 PolarHBondContact O-ND2 3.3Å
168N96.4Very high94.9Very high115 Ų11562.8 Ų62.862%0.61531%0.312SS*.Hα-helixtrans-70.9-49.6179-69.9-19.4000110.1D166 V170 N171 E172D166-N168 PolarHBondContact O-N 3.45Å; D166-N168 WeakPolarHBondContact OD1-CB 3.41Å; D166-N168 PolarHBondContact OD1-N 2.75Å; N168-V170 VanDerWaalsContact C-N 3.3Å; N168-V170 PolarHBondContact O-N 3.17Å; N168-N171 PolarHBondContact O-N 2.87Å; N168-N171 VanDerWaalsContact O-N 3.13Å; N168-E172 WeakPolarHBondContact O-CG 3.08Å; N168-E172 PolarHBondContact O-N 3.06Å
169A96.9Very high93.6Very high1 Ų162.8 Ų62.81%0.00831%0.305CS..Hα-helixtrans-61.5-3817600000112.1L118 D166 E172 L173 I240L118-A169 HydrophobicContact CD2-CB 4.11Å; D166-A169 HydrophobicContact CB-CB 4.22Å; D166-A169 PolarHBondContact O-N 3.31Å; D166-A169 PolarHBondContact OD1-N 2.73Å; A169-E172 PolarHBondContact O-N 2.92Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CG 3.46Å; A169-L173 PolarHBondContact O-N 3.19Å; A169-I240 HydrophobicContact CB-CD1 4.29Å; A169-I240 HydrophobicContact CB-CG2 3.91Å
170V95.5Very high92Very high9 Ų963.8 Ų63.86%0.05531%0.309CS..Hα-helixtrans-60.5-45.3172.9169.90000111.6L137 S138 V165 D166 N168 L173 K174 I240L137-V170 HydrophobicContact CB-CG1 4.12Å; S138-V170 VanDerWaalsContact O-CG2 3.25Å; S138-V170 WeakPolarHBondContact O-CG2 3.18Å; V165-V170 HydrophobicContact CG1-CG2 3.7Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 3.23Å; D166-V170 VanDerWaalsContact O-N 3.1Å; N168-V170 VanDerWaalsContact C-N 3.3Å; N168-V170 PolarHBondContact O-N 3.17Å; V170-L173 PolarHBondContact O-N 3.34Å; V170-K174 WeakPolarHBondContact O-CB 3.46Å; V170-K174 PolarHBondContact O-N 3.04Å; V170-I240 HydrophobicContact CG2-CB 4.44Å; V170-I240 HydrophobicContact CG2-CG2 3.86Å
171N94.7Very high90.2Very high84 Ų8463.7 Ų63.745%0.44933%0.325SS..Hα-helixtrans-66.2-37.2178.6-75.5-33.4000112.5S167 N168 K174 K175S167-N171 WeakPolarHBondContact O-CB 3.45Å; S167-N171 PolarHBondContact O-N 3.35Å; S167-N171 PolarHBondContact O-ND2 3.3Å; N168-N171 PolarHBondContact O-N 2.87Å; N168-N171 VanDerWaalsContact O-N 3.13Å; N171-K174 PolarHBondContact O-N 3.28Å; N171-K175 WeakPolarHBondContact O-CG 3.27Å; N171-K175 PolarHBondContact O-N 3.4Å
172E95.1Very high88.3Confident83 Ų8362.7 Ų62.739%0.38832%0.324SS..Hα-helixtrans-64.8-45.8174-71.5172177.900111.8N168 A169 K174 K175 L176 Y276N168-E172 WeakPolarHBondContact O-CG 3.08Å; N168-E172 PolarHBondContact O-N 3.06Å; A169-E172 PolarHBondContact O-N 2.92Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 3.17Å; E172-K175 PolarHBondContact O-N 3.48Å; E172-L176 WeakPolarHBondContact O-CB 3.45Å; E172-L176 PolarHBondContact O-N 2.94Å; E172-Y276 HydrophobicContact CB-CD2 4.46Å; E172-Y276 HydrophobicContact CB-CE2 3.76Å; E172-Y276 WeakPolarHBondContact OE2-CE2 3.49Å; E172-Y276 PolarHBondContact OE2-OH 3.22Å
173L94.9Very high86.3Confident1 Ų164.2 Ų64.21%0.00533%0.329CS..Hα-helixtrans-62.1-38.9174.8-80.6165000112.1L137 A169 V170 L176 S177 I240 V242 L272 V273 Y276L137-L173 HydrophobicContact CD1-CB 3.89Å; L137-L173 HydrophobicContact CD2-CB 4.25Å; L137-L173 HydrophobicContact CD2-CD1 4.49Å; A169-L173 WeakPolarHBondContact O-CB 3.38Å; A169-L173 WeakPolarHBondContact O-CG 3.46Å; A169-L173 PolarHBondContact O-N 3.19Å; V170-L173 PolarHBondContact O-N 3.34Å; L173-L176 PolarHBondContact O-N 3.48Å; L173-S177 WeakPolarHBondContact O-CB 3.4Å; L173-S177 PolarHBondContact O-N 2.77Å; L173-I240 HydrophobicContact CD1-CD1 3.37Å; L173-V242 HydrophobicContact CD1-CG2 3.86Å; L173-L272 HydrophobicContact CD2-CD1 4.29Å; L173-L272 HydrophobicContact CD2-CD2 4.18Å; L173-L272 HydrophobicContact CD2-CG 3.79Å; L173-V273 HydrophobicContact CD2-CG2 4.3Å; L173-Y276 HydrophobicContact CD2-CD2 3.91Å; L173-Y276 HydrophobicContact CD2-CG 3.78Å; L173-Y276 HydrophobicContact CG-CD2 3.91Å; L173-Y276 HydrophobicContact CG-CE2 4.37Å; L173-Y276 HydrophobicContact CG-CG 4.15Å
174K93.3Very high83.6Confident98 Ų9865.5 Ų65.543%0.42634%0.338SS..Hα-helixtrans-60.4-50.9175.2-176.1176.1177.3177.60111.1L137 V170 N171 E172 L176 S177 E178L137-K174 HydrophobicContact CD1-CB 3.97Å; V170-K174 WeakPolarHBondContact O-CB 3.46Å; V170-K174 PolarHBondContact O-N 3.04Å; N171-K174 PolarHBondContact O-N 3.28Å; E172-K174 VanDerWaalsContact C-N 3.32Å; E172-K174 PolarHBondContact O-N 3.17Å; K174-L176 VanDerWaalsContact C-N 3.27Å; K174-L176 PolarHBondContact O-N 3.41Å; K174-S177 PolarHBondContact O-N 2.78Å; K174-S177 VanDerWaalsContact O-N 3.11Å; K174-S177 PolarHBondContact O-OG 3.12Å; K174-E178 PolarHBondContact O-N 3.17Å
175K92.4Very high81.1Confident140 Ų14062.8 Ų62.861%0.60933%0.33SS*.Hα-helixtrans-59.1-38.2175.1-70.3173.9-177.6178.90112.1N171 E172 N179N171-K175 WeakPolarHBondContact O-CG 3.27Å; N171-K175 PolarHBondContact O-N 3.4Å; E172-K175 PolarHBondContact O-N 3.48Å; K175-N179 PolarHBondContact O-ND2 3.16Å
176L92.3Very high78.4Confident10 Ų1064 Ų645%0.05234%0.338CS..Hα-helixtrans-66.5-39.6176.1-177.360.7000111.9E172 L173 K174 E178 N179 L180 L272 E275E172-L176 WeakPolarHBondContact O-CB 3.45Å; E172-L176 PolarHBondContact O-N 2.94Å; L173-L176 PolarHBondContact O-N 3.48Å; K174-L176 VanDerWaalsContact C-N 3.27Å; K174-L176 PolarHBondContact O-N 3.41Å; L176-E178 VanDerWaalsContact C-N 3.33Å; L176-E178 PolarHBondContact O-N 3.41Å; L176-N179 WeakPolarHBondContact O-CB 3.31Å; L176-N179 PolarHBondContact O-N 2.81Å; L176-L180 HydrophobicContact CG-CD1 4.28Å; L176-L180 PolarHBondContact O-N 2.98Å; L176-L272 HydrophobicContact CB-CD1 4.18Å; L176-L272 HydrophobicContact CD2-CD1 4.02Å; L176-L272 HydrophobicContact CG-CD1 3.89Å; L176-E275 HydrophobicContact CD2-CB 3.98Å
177S89.2Confident75.8Confident4 Ų463.4 Ų63.43%0.02833%0.334CS..Hα-helixtrans-65.5-33.7-179.375.80000113.4L173 K174 N179 L180 S181 L182 C184L173-S177 WeakPolarHBondContact O-CB 3.4Å; L173-S177 PolarHBondContact O-N 2.77Å; K174-S177 PolarHBondContact O-N 2.78Å; K174-S177 VanDerWaalsContact O-N 3.11Å; K174-S177 PolarHBondContact O-OG 3.12Å; S177-N179 VanDerWaalsContact C-N 3.29Å; S177-N179 PolarHBondContact O-N 2.78Å; S177-L180 CarbonylContact O-C 3.54Å; S177-L180 PolarHBondContact O-N 2.9Å; S177-S181 PolarHBondContact O-N 2.9Å; S177-S181 VanDerWaalsContact O-N 3.08Å; S177-L182 PolarHBondContact O-N 2.91Å; S177-L182 VanDerWaalsContact O-N 3.13Å; S177-C184 WeakPolarHBondContact CB-SG 3.07Å; S177-C184 PolarHBondContact OG-SG 3.38Å; S177-C184 VanDerWaalsContact OG-SG 3.37Å
178E84.5Confident73.1Confident127 Ų12760.5 Ų60.559%0.59331%0.314SS*.Hα-helixtrans-61.4-38.8174.8-70.3168.7-174.800111K174 L176 L180 S181K174-E178 PolarHBondContact O-N 3.17Å; L176-E178 VanDerWaalsContact C-N 3.33Å; L176-E178 PolarHBondContact O-N 3.41Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.04Å; E178-S181 PolarHBondContact O-N 2.96Å
179N69.6Low70.1Confident122 Ų12255.1 Ų55.165%0.65229%0.286SS*.Hα-helixtrans-71-23.6174.7-64.5-45.3000113.3K175 L176 S177K175-N179 PolarHBondContact O-ND2 3.16Å; L176-N179 WeakPolarHBondContact O-CB 3.31Å; L176-N179 PolarHBondContact O-N 2.81Å; S177-N179 VanDerWaalsContact C-N 3.29Å; S177-N179 PolarHBondContact O-N 2.78Å
180L64.2Low68Low68 Ų6858.4 Ų58.436%0.35630%0.301SS..THydrogen-bonded Turntrans-95.72.3179.4-65.2175.1000113.2L176 S177 E178 L182 L272L176-L180 HydrophobicContact CG-CD1 4.28Å; L176-L180 PolarHBondContact O-N 2.98Å; S177-L180 CarbonylContact O-C 3.54Å; S177-L180 PolarHBondContact O-N 2.9Å; E178-L180 VanDerWaalsContact C-N 3.3Å; E178-L180 PolarHBondContact O-N 3.04Å; L180-L182 HydrophobicContact CB-CD1 3.91Å; L180-L182 HydrophobicContact CB-CG 3.97Å; L180-L182 HydrophobicContact CD1-CD1 4.11Å; L180-L182 PolarHBondContact O-N 3.39Å; L180-L272 HydrophobicContact CD1-CD1 3.82Å
181S58.3Low66.4Low111 Ų11160.7 Ų60.778%0.77631%0.313SS*.THydrogen-bonded Turntrans55.727.5-174.8-58.40000114.3S177 E178S177-S181 PolarHBondContact O-N 2.9Å; S177-S181 VanDerWaalsContact O-N 3.08Å; E178-S181 PolarHBondContact O-N 2.96Å
182L57.7Low65.4Low36 Ų3657.4 Ų57.419%0.18830%0.299CS..  trans-88.4127.4177.6-65.9171000109.7I135 S177 L180 C184 L268 L272I135-L182 HydrophobicContact CD1-CB 4.29Å; I135-L182 HydrophobicContact CD1-CD1 3.85Å; I135-L182 HydrophobicContact CD1-CD2 4.41Å; I135-L182 HydrophobicContact CD1-CG 4.41Å; S177-L182 PolarHBondContact O-N 2.91Å; S177-L182 VanDerWaalsContact O-N 3.13Å; L180-L182 HydrophobicContact CB-CD1 3.91Å; L180-L182 HydrophobicContact CB-CG 3.97Å; L180-L182 HydrophobicContact CD1-CD1 4.11Å; L180-L182 PolarHBondContact O-N 3.39Å; L182-C184 PolarHBondContact O-N 2.95Å; L182-L268 HydrophobicContact CD2-CD2 4.27Å; L182-L272 HydrophobicContact CD1-CB 4.01Å; L182-L272 HydrophobicContact CD1-CD1 4.41Å
183K54.1Low64.9Low143 Ų14356.5 Ų56.562%0.62229%0.292SS*.  trans-74.5118.3175.9-63.8-162.9-173.4-170.90109.5T134 I135T134-K183 HydrophobicContact CG2-CB 4.37Å; T134-K183 WeakPolarHBondContact CG2-O 3.36Å; I135-K183 PolarHBondContact N-O 3.1Å
184C39.9Very low64.7Low37 Ų3759.2 Ų59.225%0.2531%0.306CS..EExtended strand (participates in β ladder)trans-112134.2176.8-66.60000112.7I135 L137 S177 L182I135-C184 CarbonylContact O-C 3.27Å; I135-C184 WeakPolarHBondContact O-CA 3.35Å; L137-C184 HydrophobicContact CD1-CB 4.26Å; L137-C184 HydrophobicContact CG-CB 4.29Å; S177-C184 WeakPolarHBondContact CB-SG 3.07Å; S177-C184 PolarHBondContact OG-SG 3.38Å; S177-C184 VanDerWaalsContact OG-SG 3.37Å; L182-C184 PolarHBondContact O-N 2.95Å
185S44.2Very low64.5Low32 Ų3258.6 Ų58.622%0.22431%0.307CS..EExtended strand (participates in β ladder)trans-119.7176.8165.2-66.30000110V130 I135 V136 L137V130-S185 WeakPolarHBondContact CG1-OG 3.32Å; I135-S185 PolarHBondContact O-N 3.41Å; V136-S185 CarbonylContact C-O 3.52Å; V136-S185 WeakPolarHBondContact CA-O 3.49Å; V136-S185 WeakPolarHBondContact CG1-O 3.43Å; L137-S185 PolarHBondContact N-O 2.9Å
186V39.1Very low64.3Low40 Ų4054.1 Ų54.124%0.24230%0.301CS..  trans-134.9144.1-171.6-177.40000109.5L137 D139 R219L137-V186 WeakPolarHBondContact O-CA 3.14Å; L137-V186 WeakPolarHBondContact O-CB 3.17Å; L137-V186 WeakPolarHBondContact O-CG1 3.22Å; L137-V186 WeakPolarHBondContact O-CG2 3.39Å; D139-V186 HydrophobicContact CB-CG1 3.26Å; D139-V186 VanDerWaalsContact N-CG1 3.32Å; D139-V186 VanDerWaalsContact OD1-CG1 3.31Å; D139-V186 WeakPolarHBondContact OD1-CG1 3.39Å; D139-V186 WeakPolarHBondContact OD2-CG1 3.47Å; V186-R219 WeakPolarHBondContact O-CB 3.49Å; V186-R219 WeakPolarHBondContact O-CG 3.12Å
187V43.9Very low64.2Low6 Ų659.8 Ų59.84%0.03634%0.342CS..  trans102.9139.3165.2-167.20000117.3D139 R140 G217 I218 R219 N220D139-V187 WeakPolarHBondContact OD1-CG2 3.25Å; R140-V187 HydrophobicContact CG-CG1 4.05Å; V187-G217 WeakPolarHBondContact CB-O 3.35Å; V187-G217 WeakPolarHBondContact CG2-O 3.46Å; V187-I218 VanDerWaalsContact CG1-CA 3.44Å; V187-I218 HydrophobicContact CG1-CB 4.05Å; V187-I218 HydrophobicContact CG1-CD1 3.19Å; V187-I218 HydrophobicContact CG1-CG1 4.03Å; V187-I218 HydrophobicContact CG1-CG2 4.33Å; V187-R219 CarbonylContact O-C 3.45Å; V187-R219 PolarHBondContact O-N 2.93Å; V187-N220 PolarHBondContact O-N 3.42Å; V187-N220 PolarHBondContact O-OD1 2.97Å
188V38.6Very low64.1Low3 Ų366.2 Ų66.22%0.01837%0.374CS..EExtended strand (participates in β ladder)trans-117.3143.2-170.9176.70000117S138 V142 I218 N220 E222 L241S138-V188 WeakPolarHBondContact OG-CG2 3.39Å; V142-V188 WeakPolarHBondContact CG2-O 3.28Å; V188-I218 WeakPolarHBondContact O-CD1 3.47Å; V188-N220 CarbonylContact C-O 3.47Å; V188-N220 VanDerWaalsContact C-O 3.29Å; V188-N220 WeakPolarHBondContact CA-O 3.4Å; V188-N220 VanDerWaalsContact CA-OD1 3.23Å; V188-N220 WeakPolarHBondContact CA-OD1 3.1Å; V188-N220 WeakPolarHBondContact CG2-OD1 3.48Å; V188-E222 HydrophobicContact CG1-CG 3.74Å; V188-E222 WeakPolarHBondContact CG1-OE1 3.47Å; V188-E222 HydrophobicContact CG2-CG 4.33Å; V188-L241 HydrophobicContact CG2-CD2 4.29Å
189G34.5Very low64.4Low2 Ų262.9 Ų62.92%0.02136%0.364CS..EExtended strand (participates in β ladder)trans-146.3-164.916900000115.4N220 M221 E222G189-N220 PolarHBondContact N-O 3.14Å; G189-M221 CarbonylContact O-C 3.6Å; G189-M221 WeakPolarHBondContact O-CA 3.28Å; G189-M221 WeakPolarHBondContact O-CB 3.25Å; G189-M221 VanDerWaalsContact O-CG 3.31Å; G189-M221 WeakPolarHBondContact O-CG 3.04Å; G189-E222 PolarHBondContact O-N 3.45Å; G189-E222 VanDerWaalsContact O-N 3.15Å
190E51.6Low65.5Low70 Ų7063.1 Ų63.133%0.32737%0.371SS..  trans-129.8173.2177.4-51.5-172.2155.800114.9T144T144-E190 HydrophobicContact CG2-CB 3.63Å; T144-E190 HydrophobicContact CG2-CG 3.85Å; T144-E190 WeakPolarHBondContact CG2-OE2 3.22Å
191L62.1Low66.8Low57 Ų5763.2 Ų63.230%0.29837%0.368SS..  trans-112.5112.4-141.8-58.2159.7000115.5D126 R193 M221 R249D126-L191 HydrophobicContact CB-CD2 3.74Å; D126-L191 VanDerWaalsContact OD2-CD1 3.27Å; D126-L191 WeakPolarHBondContact OD2-CD1 3.33Å; D126-L191 WeakPolarHBondContact OD2-CD2 3.29Å; L191-R193 PolarHBondContact O-N 3.45Å; L191-M221 HydrophobicContact CD2-CB 3.43Å; L191-M221 VanDerWaalsContact CD2-CB 3.43Å; L191-M221 HydrophobicContact CD2-CE 3.8Å; L191-M221 HydrophobicContact CD2-CG 4.21Å; L191-M221 HydrophobicContact CD2-SD 3.81Å; L191-M221 HydrophobicContact CG-CB 4.03Å; L191-R249 HydrophobicContact CD2-CG 4.48Å
192G73Confident68.6Low16 Ų1659.9 Ų59.917%0.16535%0.345CS..  trans-9279167.200000113.2K206 R249G192-K206 VanDerWaalsContact O-CD 3.32Å; G192-K206 WeakPolarHBondContact O-CD 3.43Å; G192-K206 WeakPolarHBondContact O-CG 3.46Å; G192-R249 PolarHBondContact O-NH2 2.71Å
193R86.6Confident70.4Confident64 Ų6464 Ų6424%0.24236%0.361CS..  trans-86.6145.8179.8-79.9-172.7158.9951.3112.4D126 L191 N195 F201 D253D126-R193 IonicContact OD1-CZ 2.69Å; D126-R193 IonicContact OD1-NH2 2.69Å; D126-R193 PolarHBondContact OD1-NH2 3.4Å; D126-R193 IonicContact OD2-CZ 2.83Å; D126-R193 IonicContact OD2-NH1 2.8Å; D126-R193 PolarHBondContact OD2-NH1 3.13Å; D126-R193 IonicContact OD2-NH2 3.16Å; D126-R193 PolarHBondContact OD2-NH2 2.72Å; L191-R193 PolarHBondContact O-N 3.45Å; R193-N195 WeakPolarHBondContact CB-OD1 3.34Å; R193-N195 WeakPolarHBondContact CD-OD1 3.34Å; R193-F201 VanDerWaalsContact O-CZ 3.31Å; R193-F201 WeakPolarHBondContact O-CZ 3.25Å; R193-D253 HydrophobicContact CB-CB 4.37Å; R193-D253 HydrophobicContact CG-CB 4.05Å; R193-D253 PolarHBondContact NE-O 3.01Å; R193-D253 VanDerWaalsContact NE-O 3.08Å
194L90.2Very high72.4Confident58 Ų5863.4 Ų63.430%0.30436%0.361SS..SBendtrans-91.2-7.8177-59.2173.4000114F201 K203 K206 D253L194-F201 HydrophobicContact CD2-CD2 3.77Å; L194-F201 HydrophobicContact CD2-CE2 3.56Å; L194-K203 HydrophobicContact CD1-CB 3.82Å; L194-K203 HydrophobicContact CD1-CG 4.05Å; L194-K206 HydrophobicContact CD1-CD 4.06Å; L194-K206 HydrophobicContact CD2-CD 4.44Å; L194-K206 HydrophobicContact CG-CD 3.88Å; L194-D253 PolarHBondContact N-OD2 3.4Å
195N88.6Confident75Confident84 Ų8467 Ų6745%0.44937%0.374SS..SBendtrans-102.223-17565.3-11.4000113.5R193R193-N195 WeakPolarHBondContact CB-OD1 3.34Å; R193-N195 WeakPolarHBondContact CD-OD1 3.34Å
196G87.9Confident77.4Confident47 Ų4766 Ų6649%0.48537%0.366SS..SBendtrans-80.7169.417100000112.3I198G196-I198 PolarHBondContact O-N 2.91Å
197S90.4Very high80Confident129 Ų12967 Ų6790%0.90237%0.369SS*.SBendtrans-68.7-19.5172.656.30000113.2
198I87.9Confident82.5Confident138 Ų13869.7 Ų69.771%0.70839%0.392SS*.  trans-131.6128.4176.9-58173.7000107.8G196 T200G196-I198 PolarHBondContact O-N 2.91Å; I198-T200 HydrophobicContact CG2-CG2 4.22Å
199C89.5Confident85Confident57 Ų5773.2 Ų73.239%0.38541%0.407SS..  trans-141.4121.2174.1-171.50000109.2F201C199-F201 PolarHBondContact SG-O 2.74Å
200T92.2Very high87.8Confident128 Ų12873.1 Ų73.179%0.78541%0.406SS*.  trans-118.518.4-176.361.70000112.2I198I198-T200 HydrophobicContact CG2-CG2 4.22Å
201F92.4Very high89.8Confident69 Ų6973.7 Ų73.730%0.30341%0.409SS..SBendtrans-139.8152.5-179.353.4-93.5000109.8R193 L194 C199 E205 K206R193-F201 VanDerWaalsContact O-CZ 3.31Å; R193-F201 WeakPolarHBondContact O-CZ 3.25Å; L194-F201 HydrophobicContact CD2-CD2 3.77Å; L194-F201 HydrophobicContact CD2-CE2 3.56Å; C199-F201 PolarHBondContact SG-O 2.74Å; F201-E205 WeakPolarHBondContact CA-OE2 3.44Å; F201-E205 HydrophobicContact CB-CB 4.23Å; F201-K206 HydrophobicContact CD2-CB 4.2Å; F201-K206 HydrophobicContact CE2-CB 4.17Å
202S95.9Very high91.2Very high42 Ų4273.4 Ų73.429%0.29441%0.412SS..  trans-79.8168.6178.361.80000112.5E204 E205 K206S202-E204 WeakPolarHBondContact CB-OE2 3.16Å; S202-E204 PolarHBondContact O-N 3.24Å; S202-E205 WeakPolarHBondContact CB-OE2 3.39Å; S202-E205 PolarHBondContact N-OE2 3.48Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact OG-CG 3.3Å; S202-E205 WeakPolarHBondContact OG-CG 3.32Å; S202-E205 PolarHBondContact OG-N 2.88Å; S202-E205 VanDerWaalsContact OG-N 3.15Å; S202-E205 PolarHBondContact OG-OE2 2.85Å; S202-K206 PolarHBondContact O-N 3.12Å; S202-K206 VanDerWaalsContact O-N 3.08Å
203K95.2Very high92.1Very high121 Ų12172.7 Ų72.753%0.52641%0.405SS..Hα-helixtrans-63.2-35.8172.4-178.4179.2176.8-179.20111.2L194 K206 L207L194-K203 HydrophobicContact CD1-CB 3.82Å; L194-K203 HydrophobicContact CD1-CG 4.05Å; K203-K206 WeakPolarHBondContact O-CB 3.49Å; K203-K206 PolarHBondContact O-N 2.79Å; K203-L207 HydrophobicContact CG-CD1 4.13Å; K203-L207 HydrophobicContact CG-CG 4.45Å; K203-L207 WeakPolarHBondContact O-CB 3.46Å; K203-L207 WeakPolarHBondContact O-CG 3.39Å; K203-L207 PolarHBondContact O-N 3.04Å
204E97Very high92.3Very high132 Ų13273 Ų7362%0.61741%0.406SS*.Hα-helixtrans-65.2-46.2179.1-65.564.9-143.300110.6S202 L207 A208S202-E204 WeakPolarHBondContact CB-OE2 3.16Å; S202-E204 PolarHBondContact O-N 3.24Å; E204-L207 PolarHBondContact O-N 3.49Å; E204-A208 WeakPolarHBondContact O-CB 3.12Å; E204-A208 PolarHBondContact O-N 3.3Å
205E94.7Very high92.5Very high112 Ų11275.4 Ų75.452%0.52342%0.419SS..Hα-helixtrans-62.3-43.6174.8-74.4165.6115.100111.9F201 S202 L207 A208 F209F201-E205 WeakPolarHBondContact CA-OE2 3.44Å; F201-E205 HydrophobicContact CB-CB 4.23Å; S202-E205 WeakPolarHBondContact CB-OE2 3.39Å; S202-E205 PolarHBondContact N-OE2 3.48Å; S202-E205 PolarHBondContact O-N 2.82Å; S202-E205 VanDerWaalsContact OG-CG 3.3Å; S202-E205 WeakPolarHBondContact OG-CG 3.32Å; S202-E205 PolarHBondContact OG-N 2.88Å; S202-E205 VanDerWaalsContact OG-N 3.15Å; S202-E205 PolarHBondContact OG-OE2 2.85Å; E205-L207 PolarHBondContact O-N 3.19Å; E205-A208 PolarHBondContact O-N 2.79Å; E205-F209 WeakPolarHBondContact O-CB 3.36Å; E205-F209 PolarHBondContact O-N 3.36Å
206K93.9Very high92.5Very high12 Ų1276 Ų765%0.05242%0.419CS..Hα-helixtrans-55.3-53.3172.5166.2-171.4166.3-168.50110.8G192 L194 F201 S202 K203 A208 F209 L210 D253G192-K206 VanDerWaalsContact O-CD 3.32Å; G192-K206 WeakPolarHBondContact O-CD 3.43Å; G192-K206 WeakPolarHBondContact O-CG 3.46Å; L194-K206 HydrophobicContact CD1-CD 4.06Å; L194-K206 HydrophobicContact CD2-CD 4.44Å; L194-K206 HydrophobicContact CG-CD 3.88Å; F201-K206 HydrophobicContact CD2-CB 4.2Å; F201-K206 HydrophobicContact CE2-CB 4.17Å; S202-K206 PolarHBondContact O-N 3.12Å; S202-K206 VanDerWaalsContact O-N 3.08Å; K203-K206 WeakPolarHBondContact O-CB 3.49Å; K203-K206 PolarHBondContact O-N 2.79Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-A208 PolarHBondContact O-N 3.29Å; K206-F209 PolarHBondContact O-N 3.23Å; K206-L210 HydrophobicContact CD-CD1 4.38Å; K206-L210 HydrophobicContact CG-CD1 3.85Å; K206-L210 HydrophobicContact CG-CG 4.23Å; K206-L210 WeakPolarHBondContact O-CB 3.15Å; K206-L210 VanDerWaalsContact O-CG 3.29Å; K206-L210 WeakPolarHBondContact O-CG 3.46Å; K206-L210 PolarHBondContact O-N 2.93Å; K206-D253 VanDerWaalsContact CE-OD1 3.28Å; K206-D253 WeakPolarHBondContact CE-OD1 3.48Å; K206-D253 IonicContact NZ-OD1 3.41Å; K206-D253 PolarHBondContact NZ-OD1 3.47Å; K206-D253 IonicContact NZ-OD2 3.7Å; K206-D253 PolarHBondContact NZ-OD2 3.39Å
207L94.6Very high92.7Very high59 Ų5974.9 Ų74.931%0.30941%0.408SS..Hα-helixtrans-65.8-37.7-175.6-73.4175.6000111.6K203 E204 E205 L210 Q211K203-L207 HydrophobicContact CG-CD1 4.13Å; K203-L207 HydrophobicContact CG-CG 4.45Å; K203-L207 WeakPolarHBondContact O-CB 3.46Å; K203-L207 WeakPolarHBondContact O-CG 3.39Å; K203-L207 PolarHBondContact O-N 3.04Å; E204-L207 PolarHBondContact O-N 3.49Å; E205-L207 PolarHBondContact O-N 3.19Å; L207-L210 PolarHBondContact O-N 3.21Å; L207-Q211 VanDerWaalsContact O-CB 3.23Å; L207-Q211 WeakPolarHBondContact O-CB 3.39Å; L207-Q211 PolarHBondContact O-N 3.38Å
208A94.9Very high92.7Very high64 Ų6468.7 Ų68.753%0.52937%0.365SS..Hα-helixtrans-61.9-45174.300000111.9E204 E205 K206 Q211 S212E204-A208 WeakPolarHBondContact O-CB 3.12Å; E204-A208 PolarHBondContact O-N 3.3Å; E205-A208 PolarHBondContact O-N 2.79Å; K206-A208 VanDerWaalsContact C-N 3.34Å; K206-A208 PolarHBondContact O-N 3.29Å; A208-Q211 PolarHBondContact O-N 2.98Å; A208-S212 PolarHBondContact O-N 3.14Å
209F92.3Very high93Very high76 Ų7664.8 Ų64.833%0.33334%0.341SS..Hα-helixtrans-61.5-52.1174.3172.2-105.7000111.5E205 K206 Q211 S212 V213E205-F209 WeakPolarHBondContact O-CB 3.36Å; E205-F209 PolarHBondContact O-N 3.36Å; K206-F209 PolarHBondContact O-N 3.23Å; F209-Q211 VanDerWaalsContact C-N 3.29Å; F209-Q211 PolarHBondContact O-N 3.4Å; F209-S212 WeakPolarHBondContact O-CB 3.42Å; F209-S212 PolarHBondContact O-N 2.89Å; F209-S212 VanDerWaalsContact O-N 3.13Å; F209-V213 HydrophobicContact CD1-CG2 4.09Å; F209-V213 HydrophobicContact CD2-CG2 4.11Å; F209-V213 HydrophobicContact CE1-CG2 3.72Å; F209-V213 HydrophobicContact CE2-CG2 3.74Å; F209-V213 HydrophobicContact CG-CG2 4.28Å; F209-V213 HydrophobicContact CZ-CG2 3.54Å; F209-V213 WeakPolarHBondContact O-CG2 3.39Å; F209-V213 PolarHBondContact O-N 2.82Å
210L92.7Very high93.3Very high0 Ų062.1 Ų62.10%032%0.323CS..Hα-helixtrans-62-35.8-179.6-70.7-174000112.4L128 K206 L207 V213 Y214 M221 R249 L250L128-L210 HydrophobicContact CD1-CB 3.91Å; L128-L210 HydrophobicContact CD1-CD1 4.37Å; L128-L210 HydrophobicContact CD1-CD2 4.12Å; L128-L210 HydrophobicContact CD1-CG 4.35Å; L128-L210 WeakPolarHBondContact CD2-O 3.34Å; K206-L210 HydrophobicContact CD-CD1 4.38Å; K206-L210 HydrophobicContact CG-CD1 3.85Å; K206-L210 HydrophobicContact CG-CG 4.23Å; K206-L210 WeakPolarHBondContact O-CB 3.15Å; K206-L210 VanDerWaalsContact O-CG 3.29Å; K206-L210 WeakPolarHBondContact O-CG 3.46Å; K206-L210 PolarHBondContact O-N 2.93Å; L207-L210 PolarHBondContact O-N 3.21Å; L210-V213 WeakPolarHBondContact O-CB 3.44Å; L210-V213 PolarHBondContact O-N 2.9Å; L210-Y214 WeakPolarHBondContact O-CB 3.42Å; L210-Y214 PolarHBondContact O-N 3.45Å; L210-M221 HydrophobicContact CD2-CE 3.75Å; L210-M221 HydrophobicContact CD2-SD 3.9Å; L210-R249 HydrophobicContact CD1-CB 3.92Å; L210-R249 VanDerWaalsContact CD1-O 3.3Å; L210-R249 WeakPolarHBondContact CD1-O 3.3Å; L210-L250 HydrophobicContact CB-CD2 3.87Å
211Q93.9Very high93.3Very high82 Ų8256 Ų5638%0.38329%0.285SS..Hα-helixtrans-65.7-44.9173.8-171.16151.500110.9L207 A208 F209 V213 Y214 D215L207-Q211 VanDerWaalsContact O-CB 3.23Å; L207-Q211 WeakPolarHBondContact O-CB 3.39Å; L207-Q211 PolarHBondContact O-N 3.38Å; A208-Q211 PolarHBondContact O-N 2.98Å; F209-Q211 VanDerWaalsContact C-N 3.29Å; F209-Q211 PolarHBondContact O-N 3.4Å; Q211-V213 VanDerWaalsContact C-N 3.31Å; Q211-V213 PolarHBondContact O-N 3.12Å; Q211-Y214 WeakPolarHBondContact O-CB 3.37Å; Q211-Y214 PolarHBondContact O-N 2.97Å; Q211-Y214 VanDerWaalsContact O-N 3.12Å; Q211-D215 PolarHBondContact NE2-OD1 3.17Å; Q211-D215 WeakPolarHBondContact O-CB 3.26Å; Q211-D215 PolarHBondContact O-N 3.16Å
212S92Very high93.3Very high51 Ų5153.2 Ų53.236%0.35727%0.273SS..Hα-helixtrans-58.1-44.4174.7-173.90000111.8A208 F209 Y214 D215 H216A208-S212 PolarHBondContact O-N 3.14Å; F209-S212 WeakPolarHBondContact O-CB 3.42Å; F209-S212 PolarHBondContact O-N 2.89Å; F209-S212 VanDerWaalsContact O-N 3.13Å; S212-Y214 PolarHBondContact O-N 3.28Å; S212-D215 PolarHBondContact O-N 3.43Å; S212-H216 PolarHBondContact O-N 3.35Å; S212-H216 PolarHBondContact O-ND1 2.94Å
213V90.8Very high93.3Very high2 Ų255.4 Ų55.41%0.01228%0.28CS..Hα-helixtrans-58.3-47.7174.7173.60000109.8L128 L146 F209 L210 Q211 D215 H216 I218L128-V213 HydrophobicContact CD2-CB 4.01Å; L128-V213 HydrophobicContact CD2-CG1 3.58Å; L146-V213 HydrophobicContact CD2-CG1 4.49Å; L146-V213 HydrophobicContact CD2-CG2 4.06Å; F209-V213 HydrophobicContact CD1-CG2 4.09Å; F209-V213 HydrophobicContact CD2-CG2 4.11Å; F209-V213 HydrophobicContact CE1-CG2 3.72Å; F209-V213 HydrophobicContact CE2-CG2 3.74Å; F209-V213 HydrophobicContact CG-CG2 4.28Å; F209-V213 HydrophobicContact CZ-CG2 3.54Å; F209-V213 WeakPolarHBondContact O-CG2 3.39Å; F209-V213 PolarHBondContact O-N 2.82Å; L210-V213 WeakPolarHBondContact O-CB 3.44Å; L210-V213 PolarHBondContact O-N 2.9Å; Q211-V213 VanDerWaalsContact C-N 3.31Å; Q211-V213 PolarHBondContact O-N 3.12Å; V213-D215 PolarHBondContact O-N 3.33Å; V213-H216 PolarHBondContact O-N 3.17Å; V213-I218 HydrophobicContact CG1-CB 3.52Å; V213-I218 HydrophobicContact CG1-CG1 3.69Å; V213-I218 HydrophobicContact CG1-CG2 3.64Å; V213-I218 WeakPolarHBondContact O-CB 3.4Å; V213-I218 WeakPolarHBondContact O-CG1 3.21Å; V213-I218 PolarHBondContact O-N 3.35Å
214Y91.7Very high93.3Very high69 Ų6950.2 Ų50.227%0.27126%0.258SS..Hα-helixtrans-61.5-42.2177.5-177.7-93.5000113.1L128 L210 Q211 S212 H216 G217 R219L128-Y214 HydrophobicContact CD2-CD2 4.37Å; L128-Y214 HydrophobicContact CG-CD2 4.06Å; L128-Y214 WeakPolarHBondContact O-CD2 3.37Å; L128-Y214 WeakPolarHBondContact O-CE2 3.38Å; L210-Y214 WeakPolarHBondContact O-CB 3.42Å; L210-Y214 PolarHBondContact O-N 3.45Å; Q211-Y214 WeakPolarHBondContact O-CB 3.37Å; Q211-Y214 PolarHBondContact O-N 2.97Å; Q211-Y214 VanDerWaalsContact O-N 3.12Å; S212-Y214 PolarHBondContact O-N 3.28Å; Y214-H216 VanDerWaalsContact C-N 3.27Å; Y214-H216 PolarHBondContact O-N 3.43Å; Y214-G217 WeakPolarHBondContact O-CA 3.19Å; Y214-G217 PolarHBondContact O-N 2.7Å; Y214-R219 VanDerWaalsContact CD2-NH1 3.35Å; Y214-R219 PolarHBondContact O-NH1 2.86Å
215D93.2Very high93.3Very high109 Ų10944 Ų4458%0.58323%0.228SC*.Hα-helixtrans-67.4-28.5-179.8-65.1-17000111.8Q211 S212 V213 G217Q211-D215 PolarHBondContact NE2-OD1 3.17Å; Q211-D215 WeakPolarHBondContact O-CB 3.26Å; Q211-D215 PolarHBondContact O-N 3.16Å; S212-D215 PolarHBondContact O-N 3.43Å; V213-D215 PolarHBondContact O-N 3.33Å; D215-G217 PolarHBondContact O-N 3.01Å; D215-G217 VanDerWaalsContact O-N 3.16Å
216H90.4Very high93.3Very high97 Ų9739.2 Ų39.245%0.44921%0.208SC..THydrogen-bonded Turntrans-76.612.8169.1-73.381.5000113.6R140 L146 S212 V213 Y214 I218R140-H216 PolarHBondContact NH1-O 2.64Å; R140-H216 PolarHBondContact NH2-O 3.13Å; L146-H216 HydrophobicContact CD1-CB 3.99Å; L146-H216 WeakPolarHBondContact CD1-ND1 3.34Å; S212-H216 PolarHBondContact O-N 3.35Å; S212-H216 PolarHBondContact O-ND1 2.94Å; V213-H216 PolarHBondContact O-N 3.17Å; Y214-H216 VanDerWaalsContact C-N 3.27Å; Y214-H216 PolarHBondContact O-N 3.43Å; H216-I218 VanDerWaalsContact C-N 3.34Å; H216-I218 HydrophobicContact CB-CG1 4.48Å; H216-I218 PolarHBondContact O-N 2.9Å
217G91.1Very high93.4Very high23 Ų2338.6 Ų38.624%0.23721%0.205CC..THydrogen-bonded Turntrans85.2-3.2176.900000114.7V187 Y214 D215 R219V187-G217 WeakPolarHBondContact CB-O 3.35Å; V187-G217 WeakPolarHBondContact CG2-O 3.46Å; Y214-G217 WeakPolarHBondContact O-CA 3.19Å; Y214-G217 PolarHBondContact O-N 2.7Å; D215-G217 PolarHBondContact O-N 3.01Å; D215-G217 VanDerWaalsContact O-N 3.16Å; G217-R219 PolarHBondContact O-NH1 2.55Å
218I90.8Very high93.6Very high0 Ų035.8 Ų35.80%019%0.191CC..  trans-64.2135.9-177.9-44.6-64.7000111.2V142 L146 V187 V188 V213 H216 N220V142-I218 HydrophobicContact CG2-CD1 3.56Å; L146-I218 HydrophobicContact CD2-CD1 4.42Å; L146-I218 HydrophobicContact CD2-CG1 4.19Å; V187-I218 VanDerWaalsContact CG1-CA 3.44Å; V187-I218 HydrophobicContact CG1-CB 4.05Å; V187-I218 HydrophobicContact CG1-CD1 3.19Å; V187-I218 HydrophobicContact CG1-CG1 4.03Å; V187-I218 HydrophobicContact CG1-CG2 4.33Å; V188-I218 WeakPolarHBondContact O-CD1 3.47Å; V213-I218 HydrophobicContact CG1-CB 3.52Å; V213-I218 HydrophobicContact CG1-CG1 3.69Å; V213-I218 HydrophobicContact CG1-CG2 3.64Å; V213-I218 WeakPolarHBondContact O-CB 3.4Å; V213-I218 WeakPolarHBondContact O-CG1 3.21Å; V213-I218 PolarHBondContact O-N 3.35Å; H216-I218 VanDerWaalsContact C-N 3.34Å; H216-I218 HydrophobicContact CB-CG1 4.48Å; H216-I218 PolarHBondContact O-N 2.9Å; I218-N220 VanDerWaalsContact CG2-O 3.28Å; I218-N220 WeakPolarHBondContact CG2-O 3.42Å
219R94.4Very high93.7Very high56 Ų5632.8 Ų32.821%0.21117%0.166CC..  trans-127.7-14.9-178.1-64.2-66.4177-89.23.3114.7G127 L128 V130 V186 V187 Y214 G217G127-R219 CarbonylContact C-O 3.58Å; G127-R219 WeakPolarHBondContact CA-O 3.17Å; L128-R219 PolarHBondContact N-O 3.37Å; V130-R219 HydrophobicContact CG1-CB 4.44Å; V186-R219 WeakPolarHBondContact O-CB 3.49Å; V186-R219 WeakPolarHBondContact O-CG 3.12Å; V187-R219 CarbonylContact O-C 3.45Å; V187-R219 PolarHBondContact O-N 2.93Å; Y214-R219 VanDerWaalsContact CD2-NH1 3.35Å; Y214-R219 PolarHBondContact O-NH1 2.86Å; G217-R219 PolarHBondContact O-NH1 2.55Å
220N94.8Very high93.9Very high0 Ų029.1 Ų29.10%015%0.15CC..EExtended strand (participates in β ladder)trans-142.6176168.876.2-8000111.9S125 D126 V136 V187 V188 G189 I218 T245S125-N220 WeakPolarHBondContact OG-CB 3.18Å; S125-N220 PolarHBondContact OG-ND2 2.86Å; D126-N220 CarbonylContact O-C 3.48Å; D126-N220 VanDerWaalsContact O-C 3.27Å; D126-N220 WeakPolarHBondContact O-CA 3.42Å; D126-N220 WeakPolarHBondContact O-CB 2.99Å; V136-N220 HydrophobicContact CB-CB 4.13Å; V136-N220 VanDerWaalsContact CB-ND2 3.34Å; V136-N220 WeakPolarHBondContact CB-ND2 3.46Å; V136-N220 HydrophobicContact CG1-CB 4.05Å; V136-N220 VanDerWaalsContact CG1-CG 3.48Å; V136-N220 WeakPolarHBondContact CG1-ND2 3.36Å; V136-N220 HydrophobicContact CG2-CB 4.02Å; V187-N220 PolarHBondContact O-N 3.42Å; V187-N220 PolarHBondContact O-OD1 2.97Å; V188-N220 CarbonylContact C-O 3.47Å; V188-N220 VanDerWaalsContact C-O 3.29Å; V188-N220 WeakPolarHBondContact CA-O 3.4Å; V188-N220 VanDerWaalsContact CA-OD1 3.23Å; V188-N220 WeakPolarHBondContact CA-OD1 3.1Å; V188-N220 WeakPolarHBondContact CG2-OD1 3.48Å; G189-N220 PolarHBondContact N-O 3.14Å; I218-N220 VanDerWaalsContact CG2-O 3.28Å; I218-N220 WeakPolarHBondContact CG2-O 3.42Å; N220-T245 HydrophobicContact CB-CG2 4.06Å
221M91.9Very high94.2Very high1 Ų129.4 Ų29.41%0.00515%0.151CC..EExtended strand (participates in β ladder)trans-145.5128.9-178.7-65.9-179.4-81.800111.1S125 D126 L128 G189 L191 L210 R249S125-M221 WeakPolarHBondContact CA-O 3.37Å; S125-M221 WeakPolarHBondContact CB-O 3.4Å; D126-M221 PolarHBondContact N-O 2.85Å; D126-M221 PolarHBondContact O-N 2.83Å; L128-M221 HydrophobicContact CB-CE 4.48Å; L128-M221 HydrophobicContact CD1-CE 4.13Å; G189-M221 CarbonylContact O-C 3.6Å; G189-M221 WeakPolarHBondContact O-CA 3.28Å; G189-M221 WeakPolarHBondContact O-CB 3.25Å; G189-M221 VanDerWaalsContact O-CG 3.31Å; G189-M221 WeakPolarHBondContact O-CG 3.04Å; L191-M221 HydrophobicContact CD2-CB 3.43Å; L191-M221 VanDerWaalsContact CD2-CB 3.43Å; L191-M221 HydrophobicContact CD2-CE 3.8Å; L191-M221 HydrophobicContact CD2-CG 4.21Å; L191-M221 HydrophobicContact CD2-SD 3.81Å; L191-M221 HydrophobicContact CG-CB 4.03Å; L210-M221 HydrophobicContact CD2-CE 3.75Å; L210-M221 HydrophobicContact CD2-SD 3.9Å; M221-R249 HydrophobicContact CE-CB 3.67Å; M221-R249 HydrophobicContact CE-CG 3.58Å
222E94.3Very high94.4Very high10 Ų1025.5 Ų25.55%0.04713%0.133CC..  trans-151.2-176.4-177.457.281.9-111.300110.4R121 V188 G189 E224 G225 L241R121-E222 IonicContact CZ-OE2 2.7Å; R121-E222 IonicContact NE-OE2 3.84Å; R121-E222 PolarHBondContact NE-OE2 2.84Å; R121-E222 IonicContact NH2-OE2 3.64Å; R121-E222 PolarHBondContact NH2-OE2 3.48Å; V188-E222 HydrophobicContact CG1-CG 3.74Å; V188-E222 WeakPolarHBondContact CG1-OE1 3.47Å; V188-E222 HydrophobicContact CG2-CG 4.33Å; G189-E222 PolarHBondContact O-N 3.45Å; G189-E222 VanDerWaalsContact O-N 3.15Å; E222-E224 PolarHBondContact OE1-N 3.41Å; E222-E224 PolarHBondContact OE2-N 3.02Å; E222-G225 VanDerWaalsContact OE1-CA 3.31Å; E222-G225 WeakPolarHBondContact OE1-CA 3.32Å; E222-G225 PolarHBondContact OE1-N 2.97Å; E222-G225 PolarHBondContact OE2-N 2.84Å; E222-G225 VanDerWaalsContact OE2-N 3.17Å; E222-L241 HydrophobicContact CG-CD2 4.32Å
223M94.1Very high94.6Very high88 Ų8824.1 Ų24.143%0.43312%0.121SC..SBendtrans-122.610-161-59176.865.700114.3I93 G94 I95I93-M223 HydrophobicContact CG2-CE 4.07Å; I93-M223 HydrophobicContact CG2-SD 4.01Å; G94-M223 CarbonylContact C-O 3.51Å; G94-M223 WeakPolarHBondContact CA-O 3.23Å; I95-M223 WeakPolarHBondContact CG1-O 2.91Å; I95-M223 PolarHBondContact N-O 3.2Å; I95-M223 VanDerWaalsContact N-O 3.13Å
224E96.5Very high94.9Very high12 Ų1225.6 Ų25.66%0.05613%0.129CC..SBendtrans-136.3-20.3-168.7-6581.9-169.900114.4G94 T98 R121 E222 A226 A227 I228G94-E224 PolarHBondContact N-OE1 3.29Å; T98-E224 HydrophobicContact CG2-CB 4.29Å; T98-E224 WeakPolarHBondContact OG1-CG 3.2Å; R121-E224 IonicContact CZ-OE2 2.82Å; R121-E224 IonicContact NE-OE2 3.52Å; R121-E224 VanDerWaalsContact NH1-CD 3.33Å; R121-E224 IonicContact NH1-OE2 3.46Å; R121-E224 PolarHBondContact NH1-OE2 3.43Å; R121-E224 IonicContact NH2-OE2 3.98Å; R121-E224 PolarHBondContact NH2-OE2 3.32Å; E222-E224 PolarHBondContact OE1-N 3.41Å; E222-E224 PolarHBondContact OE2-N 3.02Å; E224-A226 PolarHBondContact O-N 2.97Å; E224-A227 WeakPolarHBondContact O-CB 3.14Å; E224-A227 PolarHBondContact O-N 3.18Å; E224-I228 HydrophobicContact CB-CD1 4.39Å; E224-I228 PolarHBondContact O-N 2.68Å
225G96Very high95.2Very high0 Ų023.9 Ų23.90%013%0.125CC..Hα-helixtrans-60.5-39.3-169.200000114.7E222 A227 I228 T229E222-G225 VanDerWaalsContact OE1-CA 3.31Å; E222-G225 WeakPolarHBondContact OE1-CA 3.32Å; E222-G225 PolarHBondContact OE1-N 2.97Å; E222-G225 PolarHBondContact OE2-N 2.84Å; E222-G225 VanDerWaalsContact OE2-N 3.17Å; G225-A227 VanDerWaalsContact C-N 3.31Å; G225-A227 PolarHBondContact O-N 3.12Å; G225-I228 PolarHBondContact O-N 2.79Å; G225-T229 WeakPolarHBondContact O-CB 3.38Å; G225-T229 WeakPolarHBondContact O-CG2 3.41Å; G225-T229 PolarHBondContact O-N 3.37Å; G225-T229 PolarHBondContact O-OG1 3.45Å
226A94.7Very high95.3Very high12 Ų1219.8 Ų19.810%0.09911%0.11CC..Hα-helixtrans-61.2-40.517600000111.7I95 N150 T163 E224 S230I95-A226 HydrophobicContact CD1-CB 4.48Å; N150-A226 HydrophobicContact CB-CB 4.15Å; T163-A226 HydrophobicContact CG2-CB 4.18Å; E224-A226 PolarHBondContact O-N 2.97Å; A226-S230 WeakPolarHBondContact O-CB 3.46Å; A226-S230 PolarHBondContact O-N 3.36Å; A226-S230 VanDerWaalsContact O-N 3.13Å; A226-S230 PolarHBondContact O-OG 3.01Å
227A96.5Very high95.7Very high0 Ų016.2 Ų16.20%09%0.093CC..Hα-helixtrans-64.5-52177.800000111.6I95 T98 L99 E224 G225 S230 H231I95-A227 HydrophobicContact CB-CB 4.4Å; I95-A227 HydrophobicContact CG1-CB 4.21Å; I95-A227 HydrophobicContact CG2-CB 4.11Å; T98-A227 HydrophobicContact CG2-CB 4.13Å; L99-A227 HydrophobicContact CD2-CB 3.98Å; L99-A227 HydrophobicContact CG-CB 4Å; E224-A227 WeakPolarHBondContact O-CB 3.14Å; E224-A227 PolarHBondContact O-N 3.18Å; G225-A227 VanDerWaalsContact C-N 3.31Å; G225-A227 PolarHBondContact O-N 3.12Å; A227-S230 PolarHBondContact O-OG 2.92Å; A227-H231 WeakPolarHBondContact O-CB 3.31Å; A227-H231 PolarHBondContact O-N 3.16Å
228I98.3Very high96Very high0 Ų018.9 Ų18.90%010%0.096CC..Hα-helixtrans-62.6-52.5-175.9-60.7177.3000110.5V44 T98 M102 F119 R121 E224 G225 S230 H231 C232 A239V44-I228 HydrophobicContact CG2-CD1 4.1Å; T98-I228 HydrophobicContact CG2-CD1 4.07Å; T98-I228 HydrophobicContact CG2-CG1 3.55Å; M102-I228 HydrophobicContact CE-CG2 4.36Å; M102-I228 HydrophobicContact SD-CG1 4.18Å; M102-I228 HydrophobicContact SD-CG2 4.42Å; F119-I228 HydrophobicContact CB-CG2 4.37Å; R121-I228 HydrophobicContact CB-CD1 3.77Å; R121-I228 HydrophobicContact CG-CD1 3.96Å; E224-I228 HydrophobicContact CB-CD1 4.39Å; E224-I228 PolarHBondContact O-N 2.68Å; G225-I228 PolarHBondContact O-N 2.79Å; I228-S230 PolarHBondContact O-N 2.92Å; I228-H231 PolarHBondContact O-N 3.16Å; I228-C232 WeakPolarHBondContact O-CB 3.46Å; I228-C232 PolarHBondContact O-N 3.31Å; I228-C232 PolarHBondContact O-SG 2.7Å; I228-C232 VanDerWaalsContact O-SG 3.32Å; I228-A239 HydrophobicContact CG2-CB 4.02Å
229T97.8Very high96.4Very high0 Ų019 Ų190%010%0.096CC..Hα-helixtrans-72.1-28.8-173.5580000113.6T163 K164 V165 G225 N233 A239 L241T163-T229 VanDerWaalsContact CB-OG1 3.28Å; T163-T229 WeakPolarHBondContact CB-OG1 3.47Å; T163-T229 WeakPolarHBondContact CG2-OG1 3.28Å; K164-T229 PolarHBondContact N-O 3.44Å; K164-T229 WeakPolarHBondContact O-CB 3.38Å; V165-T229 HydrophobicContact CG2-CG2 3.79Å; G225-T229 WeakPolarHBondContact O-CB 3.38Å; G225-T229 WeakPolarHBondContact O-CG2 3.41Å; G225-T229 PolarHBondContact O-N 3.37Å; G225-T229 PolarHBondContact O-OG1 3.45Å; T229-N233 WeakPolarHBondContact O-CB 3.36Å; T229-A239 HydrophobicContact CG2-CB 4Å; T229-L241 HydrophobicContact CG2-CD1 3.57Å
230S96.9Very high96.6Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-78.6-37.1173.3660000112.4N150 A226 A227 I228 L234N150-S230 WeakPolarHBondContact CB-OG 3.43Å; N150-S230 PolarHBondContact ND2-OG 2.86Å; A226-S230 WeakPolarHBondContact O-CB 3.46Å; A226-S230 PolarHBondContact O-N 3.36Å; A226-S230 VanDerWaalsContact O-N 3.13Å; A226-S230 PolarHBondContact O-OG 3.01Å; A227-S230 PolarHBondContact O-OG 2.92Å; I228-S230 PolarHBondContact O-N 2.92Å; S230-L234 PolarHBondContact O-N 2.93Å
231H97.9Very high96.7Very high6 Ų616.3 Ų16.33%0.0289%0.086CC..Hα-helixtrans-69.8-50-179.7-162.2113.3000111.2M102 H103 T106 A227 I228 N233 L234 T235M102-H231 HydrophobicContact CB-CB 4.31Å; M102-H231 HydrophobicContact CE-CB 4.41Å; M102-H231 HydrophobicContact CG-CB 4.49Å; H103-H231 AromaticContact CD2-CE1 3.67Å; H103-H231 AromaticContact CE1-CE1 3.7Å; H103-H231 AromaticContact CG-CE1 3.76Å; H103-H231 AromaticContact ND1-CE1 3.78Å; H103-H231 AromaticContact NE2-CE1 3.6Å; T106-H231 PolarHBondContact OG1-NE2 2.99Å; A227-H231 WeakPolarHBondContact O-CB 3.31Å; A227-H231 PolarHBondContact O-N 3.16Å; I228-H231 PolarHBondContact O-N 3.16Å; H231-N233 VanDerWaalsContact C-N 3.27Å; H231-N233 PolarHBondContact O-N 3.27Å; H231-L234 PolarHBondContact O-N 2.95Å; H231-T235 PolarHBondContact O-N 3.12Å; H231-T235 PolarHBondContact O-OG1 2.96Å
232C98.2Very high97Very high0 Ų016.3 Ų16.30%09%0.086CC..Hα-helixtrans-56.5-41.5176.7-69.90000112.1M102 F119 I228 L234 T235 G236 H237 A239M102-C232 WeakPolarHBondContact CE-SG 3.38Å; F119-C232 VanDerWaalsContact CD2-SG 3.52Å; F119-C232 VanDerWaalsContact CG-SG 3.51Å; I228-C232 WeakPolarHBondContact O-CB 3.46Å; I228-C232 PolarHBondContact O-N 3.31Å; I228-C232 PolarHBondContact O-SG 2.7Å; I228-C232 VanDerWaalsContact O-SG 3.32Å; C232-L234 VanDerWaalsContact C-N 3.27Å; C232-L234 PolarHBondContact O-N 3.4Å; C232-T235 PolarHBondContact O-N 2.95Å; C232-T235 PolarHBondContact O-OG1 3.28Å; C232-G236 PolarHBondContact O-N 3.33Å; C232-G236 VanDerWaalsContact O-N 3.14Å; C232-H237 CarbonylContact C-O 3.27Å; C232-H237 VanDerWaalsContact C-O 3.27Å; C232-H237 HydrophobicContact CB-CB 4.03Å; C232-H237 PolarHBondContact O-N 3.01Å; C232-A239 HydrophobicContact CB-CB 3.83Å
233N96.6Very high97.1Very high21 Ų2115.9 Ų15.911%0.1128%0.084CC..Hα-helixtrans-57.3-39.4177.4-17435.7000112.4Q162 K164 T229 H231Q162-N233 PolarHBondContact O-ND2 2.89Å; K164-N233 HydrophobicContact CB-CB 3.89Å; K164-N233 WeakPolarHBondContact CD-OD1 3.33Å; T229-N233 WeakPolarHBondContact O-CB 3.36Å; H231-N233 VanDerWaalsContact C-N 3.27Å; H231-N233 PolarHBondContact O-N 3.27Å
234L97.1Very high97.2Very high34 Ų3411.7 Ų11.718%0.1786%0.064CC..Hα-helixtrans-80.8-28179.1-67.6-176.9000113.7V4 P6 I7 R161 S230 H231 C232V4-L234 HydrophobicContact CG1-CD2 4.3Å; P6-L234 WeakPolarHBondContact CA-O 3.38Å; I7-L234 HydrophobicContact CD1-CD2 4.16Å; I7-L234 PolarHBondContact N-O 3.2Å; R161-L234 HydrophobicContact CB-CD1 4.26Å; R161-L234 VanDerWaalsContact CD-CD1 3.41Å; R161-L234 HydrophobicContact CG-CD1 3.76Å; S230-L234 PolarHBondContact O-N 2.93Å; H231-L234 PolarHBondContact O-N 2.95Å; C232-L234 VanDerWaalsContact C-N 3.27Å; C232-L234 PolarHBondContact O-N 3.4Å
235T97Very high97.1Very high32 Ų3211.1 Ų11.120%0.1966%0.061CC..Hα-helixtrans-91.34.8-179.461.70000113.5T106 H231 C232 H237T106-T235 HydrophobicContact CG2-CG2 4.18Å; H231-T235 PolarHBondContact O-N 3.12Å; H231-T235 PolarHBondContact O-OG1 2.96Å; C232-T235 PolarHBondContact O-N 2.95Å; C232-T235 PolarHBondContact O-OG1 3.28Å; T235-H237 PolarHBondContact OG1-CD2 3.04Å; T235-H237 VanDerWaalsContact OG1-CD2 3.31Å
236G96.4Very high97Very high24 Ų2411.5 Ų11.525%0.2476%0.063CC..THydrogen-bonded Turntrans78.232.3178.200000114.4C232C232-G236 PolarHBondContact O-N 3.33Å; C232-G236 VanDerWaalsContact O-N 3.14Å
237H98.1Very high96.9Very high21 Ų2111 Ų1110%0.0976%0.059CC..  trans-124162.6179.3-61.6-31.8000110.4V117 F119 C232 T235V117-H237 WeakPolarHBondContact O-CB 3.4Å; F119-H237 HydrophobicContact CD2-CB 4.07Å; F119-H237 HydrophobicContact CE2-CB 4.01Å; F119-H237 AromaticContact CE2-CD2 3.71Å; F119-H237 AromaticContact CE2-CG 3.99Å; C232-H237 CarbonylContact C-O 3.27Å; C232-H237 VanDerWaalsContact C-O 3.27Å; C232-H237 HydrophobicContact CB-CB 4.03Å; C232-H237 PolarHBondContact O-N 3.01Å; T235-H237 PolarHBondContact OG1-CD2 3.04Å; T235-H237 VanDerWaalsContact OG1-CD2 3.31Å
238R98.4Very high96.8Very high80 Ų8011.6 Ų11.630%0.3026%0.062SC..EExtended strand (participates in β ladder)trans-101.2153.4177.1-68.9177-62.5121.1-1.1109.3D116 V117 L118 F119 D166D116-R238 PolarHBondContact O-NH2 3.31Å; D116-R238 VanDerWaalsContact OD1-CD 3.27Å; D116-R238 WeakPolarHBondContact OD1-CD 3.25Å; D116-R238 WeakPolarHBondContact OD1-CG 3.43Å; D116-R238 IonicContact OD1-CZ 3.74Å; D116-R238 IonicContact OD1-NE 3.21Å; D116-R238 PolarHBondContact OD1-NE 3.45Å; D116-R238 IonicContact OD2-CZ 3.8Å; D116-R238 IonicContact OD2-NE 2.74Å; D116-R238 PolarHBondContact OD2-NE 2.93Å; D116-R238 IonicContact OD2-NH2 3.97Å; V117-R238 PolarHBondContact O-N 2.96Å; L118-R238 HydrophobicContact CD1-CB 3.68Å; F119-R238 PolarHBondContact N-O 3.05Å; D166-R238 HydrophobicContact CB-CB 4.11Å; D166-R238 HydrophobicContact CB-CG 4.5Å; D166-R238 VanDerWaalsContact OD2-CD 3.3Å; D166-R238 WeakPolarHBondContact OD2-CD 3.47Å; D166-R238 IonicContact OD2-CZ 3.96Å; D166-R238 IonicContact OD2-NE 3.82Å; D166-R238 IonicContact OD2-NH1 3.01Å; D166-R238 PolarHBondContact OD2-NH1 3.3Å
239A98.5Very high96.6Very high1 Ų111.6 Ų11.61%0.0086%0.062CC..EExtended strand (participates in β ladder)trans-141.8141.8-179.900000111.3F119 V165 D166 I228 T229 C232F119-A239 HydrophobicContact CB-CB 4.43Å; F119-A239 CarbonylContact O-C 3.29Å; F119-A239 VanDerWaalsContact O-CA 3.29Å; F119-A239 WeakPolarHBondContact O-CA 3.45Å; V165-A239 WeakPolarHBondContact CA-O 3.45Å; D166-A239 PolarHBondContact N-O 2.84Å; I228-A239 HydrophobicContact CG2-CB 4.02Å; T229-A239 HydrophobicContact CG2-CB 4Å; C232-A239 HydrophobicContact CB-CB 3.83Å
240I98.3Very high96.4Very high0 Ų013.9 Ų13.90%07%0.074CC..EExtended strand (participates in β ladder)trans-138.4155.517058.8171.4000110.7L118 F119 I120 R121 V165 D166 A169 V170 L173 V242L118-I240 HydrophobicContact CD1-CG1 4.21Å; L118-I240 HydrophobicContact CD1-CG2 4.25Å; L118-I240 HydrophobicContact CD2-CD1 4.32Å; F119-I240 PolarHBondContact O-N 3.02Å; I120-I240 HydrophobicContact CB-CD1 4.39Å; I120-I240 HydrophobicContact CB-CG1 4.11Å; I120-I240 HydrophobicContact CD1-CD1 4.21Å; I120-I240 HydrophobicContact CG1-CD1 3.88Å; I120-I240 HydrophobicContact CG1-CG1 3.83Å; I120-I240 HydrophobicContact CG2-CD1 3.96Å; I120-I240 HydrophobicContact CG2-CG1 3.94Å; R121-I240 PolarHBondContact N-O 2.84Å; V165-I240 HydrophobicContact CG1-CG2 4.17Å; D166-I240 HydrophobicContact CB-CG2 3.89Å; A169-I240 HydrophobicContact CB-CD1 4.29Å; A169-I240 HydrophobicContact CB-CG2 3.91Å; V170-I240 HydrophobicContact CG2-CB 4.44Å; V170-I240 HydrophobicContact CG2-CG2 3.86Å; L173-I240 HydrophobicContact CD1-CD1 3.37Å; I240-V242 HydrophobicContact CD1-CG2 4.45Å
241L97.6Very high96.3Very high1 Ų121 Ų211%0.00511%0.108CC..EExtended strand (participates in β ladder)trans-120.8124.6175.3-83.975.4000109.9R121 S138 V188 E222 T229R121-L241 HydrophobicContact CB-CG 4.06Å; R121-L241 HydrophobicContact CG-CG 4.48Å; S138-L241 PolarHBondContact N-O 2.78Å; S138-L241 VanDerWaalsContact OG-CB 3.28Å; S138-L241 WeakPolarHBondContact OG-CB 3.16Å; V188-L241 HydrophobicContact CG2-CD2 4.29Å; E222-L241 HydrophobicContact CG-CD2 4.32Å; T229-L241 HydrophobicContact CG2-CD1 3.57Å
242V97.4Very high96Very high1 Ų123 Ų231%0.00612%0.12CC..EExtended strand (participates in β ladder)trans-121.3101.6175.2-174.40000107I120 R121 L122 G123 I135 L137 L173 I240 P269 L272 V273I120-V242 HydrophobicContact CG2-CG2 4.29Å; R121-V242 PolarHBondContact O-N 2.81Å; R121-V242 VanDerWaalsContact O-O 3.13Å; L122-V242 CarbonylContact C-O 3.54Å; L122-V242 WeakPolarHBondContact CA-O 3.44Å; G123-V242 PolarHBondContact N-O 3.1Å; I135-V242 HydrophobicContact CG2-CG1 3.68Å; L137-V242 HydrophobicContact CD2-CB 4.26Å; L137-V242 HydrophobicContact CD2-CG1 3.8Å; L137-V242 HydrophobicContact CD2-CG2 3.86Å; L173-V242 HydrophobicContact CD1-CG2 3.86Å; I240-V242 HydrophobicContact CD1-CG2 4.45Å; V242-P269 HydrophobicContact CB-CB 4.47Å; V242-P269 HydrophobicContact CG1-CB 3.91Å; V242-L272 HydrophobicContact CG1-CD2 4.41Å; V242-V273 HydrophobicContact CB-CG2 4.14Å; V242-V273 HydrophobicContact CG1-CG2 4.17Å; V242-V273 HydrophobicContact CG2-CG2 3.81Å
243C96.6Very high95.7Very high0 Ų023.7 Ų23.70%012%0.124CC..EExtended strand (participates in β ladder)trans-122.9135.9-173.2-60.10000111.4G123 S125 I135 V136G123-C243 VanDerWaalsContact O-CA 3.27Å; G123-C243 WeakPolarHBondContact O-CA 3.17Å; S125-C243 WeakPolarHBondContact OG-CB 3.34Å; I135-C243 CarbonylContact C-O 3.56Å; V136-C243 PolarHBondContact N-O 2.73Å; V136-C243 PolarHBondContact O-N 3.29Å
244V95.9Very high95.4Very high0 Ų028.3 Ų28.30%015%0.145CC..EExtended strand (participates in β ladder)trans-87.9139.6171.566.40000110.8G123 T124 S125 T134 F265 L268 P269G123-V244 PolarHBondContact O-N 2.8Å; G123-V244 VanDerWaalsContact O-N 3.08Å; T124-V244 CarbonylContact C-O 3.52Å; T124-V244 WeakPolarHBondContact CA-O 3.21Å; T124-V244 HydrophobicContact CG2-CG1 3.84Å; S125-V244 PolarHBondContact N-O 2.93Å; S125-V244 PolarHBondContact OG-O 2.97Å; T134-V244 CarbonylContact O-C 3.53Å; T134-V244 WeakPolarHBondContact O-CA 3.28Å; V244-F265 HydrophobicContact CG1-CB 4.28Å; V244-F265 WeakPolarHBondContact CG1-O 3.25Å; V244-F265 HydrophobicContact CG2-CB 3.82Å; V244-F265 HydrophobicContact CG2-CG 4.33Å; V244-L268 HydrophobicContact CG2-CD1 4.09Å; V244-P269 HydrophobicContact CB-CG 3.92Å; V244-P269 HydrophobicContact CG1-CG 4.14Å
245T94.6Very high95.1Very high0 Ų029.7 Ų29.70%015%0.154CC..EExtended strand (participates in β ladder)trans-82.8136.817659.30000111.6S125 G127 V130 K131 P132 G133 T134 V136 N220S125-T245 CarbonylContact O-C 3.53Å; S125-T245 WeakPolarHBondContact O-CA 3.39Å; G127-T245 VanDerWaalsContact CA-CG2 3.46Å; V130-T245 HydrophobicContact CG2-CG2 3.73Å; K131-T245 PolarHBondContact O-OG1 3.27Å; P132-T245 CarbonylContact C-O 3.58Å; P132-T245 WeakPolarHBondContact CA-O 3.32Å; G133-T245 PolarHBondContact N-O 2.87Å; T134-T245 PolarHBondContact N-OG1 3.13Å; T134-T245 PolarHBondContact O-N 2.87Å; T134-T245 PolarHBondContact O-OG1 2.85Å; V136-T245 HydrophobicContact CG2-CG2 3.77Å; N220-T245 HydrophobicContact CB-CG2 4.06Å
246V94Very high94.7Very high8 Ų833.5 Ų33.55%0.04818%0.178CC..EExtended strand (participates in β ladder)trans-109.3-14-178.1-56.60000113.7T124 S125 V255 T257 F262T124-V246 HydrophobicContact CG2-CG1 4.14Å; S125-V246 PolarHBondContact O-N 3.23Å; V246-V255 HydrophobicContact CB-CG1 4.34Å; V246-V255 HydrophobicContact CG2-CG1 4.49Å; V246-V255 HydrophobicContact CG2-CG2 3.83Å; V246-T257 PolarHBondContact O-OG1 3.43Å; V246-F262 HydrophobicContact CB-CD2 4.22Å; V246-F262 HydrophobicContact CB-CE2 3.83Å; V246-F262 HydrophobicContact CG1-CD2 4.02Å; V246-F262 HydrophobicContact CG1-CE2 3.49Å; V246-F262 VanDerWaalsContact CG1-CE2 3.49Å; V246-F262 HydrophobicContact CG1-CZ 4.22Å; V246-F262 HydrophobicContact CG2-CE2 4.28Å
247V93.6Very high94.4Very high3 Ų333.4 Ų33.42%0.01817%0.172CC..EExtended strand (participates in β ladder)trans-154.3153.7-179.364.80000109.7D126 G127 R249 T252 E254 V255D126-V247 HydrophobicContact CB-CG1 3.71Å; D126-V247 WeakPolarHBondContact OD1-CG1 3.43Å; G127-V247 VanDerWaalsContact CA-O 3.29Å; G127-V247 WeakPolarHBondContact CA-O 3.3Å; G127-V247 PolarHBondContact N-O 3.43Å; V247-R249 HydrophobicContact CG1-CG 4.16Å; V247-T252 HydrophobicContact CG2-CG2 3.57Å; V247-E254 VanDerWaalsContact CG2-O 3.29Å; V247-E254 WeakPolarHBondContact CG2-O 3.38Å; V247-V255 HydrophobicContact CB-CG2 4.41Å
248N94.1Very high94.1Very high12 Ų1235.5 Ų35.56%0.06419%0.19CC..EExtended strand (participates in β ladder)trans-97.2110.8164.3-175.96.6000110G129 V130 L250 E251 T252G129-N248 PolarHBondContact N-OD1 2.97Å; V130-N248 WeakPolarHBondContact O-CB 3.42Å; N248-L250 VanDerWaalsContact C-N 3.25Å; N248-L250 PolarHBondContact O-N 3.06Å; N248-L250 PolarHBondContact OD1-N 2.77Å; N248-E251 HydrophobicContact CB-CB 4.46Å; N248-E251 HydrophobicContact CB-CG 4.38Å; N248-E251 PolarHBondContact ND2-OE1 3.26Å; N248-E251 PolarHBondContact O-N 2.95Å; N248-T252 PolarHBondContact O-N 2.79Å; N248-T252 VanDerWaalsContact O-N 3.08Å
249R93.3Very high93.9Very high0 Ų036.5 Ų36.50%021%0.205CC..THydrogen-bonded Turntrans-71.1-16.8-173.3-67.8-66.8-48.6-53.7-4.7114.8D126 G127 L128 L191 G192 L210 M221 V247 T252 D253D126-R249 HydrophobicContact CB-CG 3.51Å; G127-R249 PolarHBondContact O-N 3.06Å; L128-R249 HydrophobicContact CD1-CB 4.35Å; L191-R249 HydrophobicContact CD2-CG 4.48Å; G192-R249 PolarHBondContact O-NH2 2.71Å; L210-R249 HydrophobicContact CD1-CB 3.92Å; L210-R249 VanDerWaalsContact CD1-O 3.3Å; L210-R249 WeakPolarHBondContact CD1-O 3.3Å; M221-R249 HydrophobicContact CE-CB 3.67Å; M221-R249 HydrophobicContact CE-CG 3.58Å; V247-R249 HydrophobicContact CG1-CG 4.16Å; R249-T252 WeakPolarHBondContact CA-O 3.39Å; R249-D253 IonicContact CZ-OD1 2.95Å; R249-D253 IonicContact NE-OD1 2.73Å; R249-D253 PolarHBondContact NE-OD1 3.36Å; R249-D253 IonicContact NH2-OD1 3.87Å; R249-D253 PolarHBondContact NH2-OD1 3.31Å
250L93.5Very high93.6Very high47 Ų4741.7 Ų41.725%0.24623%0.232CC..THydrogen-bonded Turntrans-69.8-21.9169.5-64.7-179.5000112.1L128 L210 N248L128-L250 HydrophobicContact CD1-CD1 4.44Å; L128-L250 HydrophobicContact CD1-CD2 3.62Å; L128-L250 HydrophobicContact CD1-CG 3.67Å; L128-L250 HydrophobicContact CG-CD2 4.49Å; L128-L250 HydrophobicContact CG-CG 4.34Å; L210-L250 HydrophobicContact CB-CD2 3.87Å; N248-L250 VanDerWaalsContact C-N 3.25Å; N248-L250 PolarHBondContact O-N 3.06Å; N248-L250 PolarHBondContact OD1-N 2.77Å
251E94.4Very high93.4Very high151 Ų15145.7 Ų45.771%0.70625%0.251SS*.THydrogen-bonded Turntrans-103.5-47.9-176.5-66.5170.5-152.600111.9N248N248-E251 HydrophobicContact CB-CB 4.46Å; N248-E251 HydrophobicContact CB-CG 4.38Å; N248-E251 PolarHBondContact ND2-OE1 3.26Å; N248-E251 PolarHBondContact O-N 2.95Å
252T93.3Very high93.2Very high48 Ų4848.4 Ų48.429%0.29426%0.263SS..  trans-151.3159-175.4-175.80000112.6V247 N248 R249 E254V247-T252 HydrophobicContact CG2-CG2 3.57Å; N248-T252 PolarHBondContact O-N 2.79Å; N248-T252 VanDerWaalsContact O-N 3.08Å; R249-T252 WeakPolarHBondContact CA-O 3.39Å; T252-E254 WeakPolarHBondContact CG2-O 3.11Å; T252-E254 PolarHBondContact OG1-N 3.18Å
253D91.3Very high93Very high14 Ų1453.4 Ų53.48%0.07529%0.285CS..SBendtrans-93.8-15.4171.3-72-34.7000113.4R193 L194 K206 R249R193-D253 HydrophobicContact CB-CB 4.37Å; R193-D253 HydrophobicContact CG-CB 4.05Å; R193-D253 PolarHBondContact NE-O 3.01Å; R193-D253 VanDerWaalsContact NE-O 3.08Å; L194-D253 PolarHBondContact N-OD2 3.4Å; K206-D253 VanDerWaalsContact CE-OD1 3.28Å; K206-D253 WeakPolarHBondContact CE-OD1 3.48Å; K206-D253 IonicContact NZ-OD1 3.41Å; K206-D253 PolarHBondContact NZ-OD1 3.47Å; K206-D253 IonicContact NZ-OD2 3.7Å; K206-D253 PolarHBondContact NZ-OD2 3.39Å; R249-D253 IonicContact CZ-OD1 2.95Å; R249-D253 IonicContact NE-OD1 2.73Å; R249-D253 PolarHBondContact NE-OD1 3.36Å; R249-D253 IonicContact NH2-OD1 3.87Å; R249-D253 PolarHBondContact NH2-OD1 3.31Å
254E90.5Very high92.8Very high117 Ų11758.4 Ų58.455%0.54731%0.311SS..SBendtrans-91135.7-175.8-63.9-172.6173.300111.4V247 T252 T256V247-E254 VanDerWaalsContact CG2-O 3.29Å; V247-E254 WeakPolarHBondContact CG2-O 3.38Å; T252-E254 WeakPolarHBondContact CG2-O 3.11Å; T252-E254 PolarHBondContact OG1-N 3.18Å; E254-T256 HydrophobicContact CB-CG2 4.2Å; E254-T256 PolarHBondContact O-N 3.26Å
255V89.7Confident92.7Very high63 Ų6359.5 Ų59.538%0.38232%0.316SS..  trans-8097.9168.1-177.60000107.1V246 V247 F262V246-V255 HydrophobicContact CB-CG1 4.34Å; V246-V255 HydrophobicContact CG2-CG1 4.49Å; V246-V255 HydrophobicContact CG2-CG2 3.83Å; V247-V255 HydrophobicContact CB-CG2 4.41Å; V255-F262 HydrophobicContact CG1-CD2 4.05Å; V255-F262 HydrophobicContact CG1-CE2 4.29Å
256T89.2Confident92.6Very high112 Ų11261.6 Ų61.669%0.68733%0.325SS*.  trans-89-8.8-178.455.30000113.5E254E254-T256 HydrophobicContact CB-CG2 4.2Å; E254-T256 PolarHBondContact O-N 3.26Å
257T89.6Confident92.6Very high22 Ų2266.3 Ų66.314%0.13535%0.347CS..SBendtrans-55.3135.7174-53.30000111V246 E261 F262 F265V246-T257 PolarHBondContact O-OG1 3.43Å; T257-E261 HydrophobicContact CG2-CB 3.58Å; T257-E261 HydrophobicContact CG2-CG 3.48Å; T257-E261 VanDerWaalsContact CG2-CG 3.48Å; T257-E261 WeakPolarHBondContact CG2-OE2 3.28Å; T257-F262 HydrophobicContact CG2-CB 4.33Å; T257-F265 HydrophobicContact CG2-CD2 4.11Å; T257-F265 HydrophobicContact CG2-CE2 3.72Å; T257-F265 HydrophobicContact CG2-CZ 4.41Å
258S93.6Very high92.6Very high66 Ų6667.6 Ų67.646%0.46235%0.354SS..  trans-62.3157177.2720000111.7D260 E261 F262S258-D260 PolarHBondContact O-N 3.04Å; S258-E261 PolarHBondContact O-N 3.38Å; S258-E261 VanDerWaalsContact OG-CB 3.28Å; S258-E261 WeakPolarHBondContact OG-CB 3.38Å; S258-E261 PolarHBondContact OG-N 3.19Å; S258-F262 WeakPolarHBondContact O-CB 3.42Å; S258-F262 PolarHBondContact O-N 3.29Å
259T92.4Very high92.7Very high101 Ų10167 Ų6762%0.6235%0.351SS*.Hα-helixtrans-57.2-37.2178.1-55.90000112.7K263T259-K263 VanDerWaalsContact O-CG 3.31Å; T259-K263 WeakPolarHBondContact O-CG 3.25Å; T259-K263 PolarHBondContact O-N 3.46Å
260D93.8Very high92.9Very high109 Ų10967.7 Ų67.758%0.58336%0.357SS*.Hα-helixtrans-73.8-39.5179.8-69.1-25.4000112S258 F262 K263 L264S258-D260 PolarHBondContact O-N 3.04Å; D260-F262 VanDerWaalsContact C-N 3.35Å; D260-K263 PolarHBondContact O-N 3.49Å; D260-K263 IonicContact OD1-NZ 3.63Å; D260-L264 WeakPolarHBondContact O-CG 3.17Å; D260-L264 PolarHBondContact O-N 3.07Å
261E93.9Very high93Very high85 Ų8570.3 Ų70.340%0.39737%0.368SS..Hα-helixtrans-66.4-38.1174-174.8179-157.100111.6T257 S258 K263 L264 F265T257-E261 HydrophobicContact CG2-CB 3.58Å; T257-E261 HydrophobicContact CG2-CG 3.48Å; T257-E261 VanDerWaalsContact CG2-CG 3.48Å; T257-E261 WeakPolarHBondContact CG2-OE2 3.28Å; S258-E261 PolarHBondContact O-N 3.38Å; S258-E261 VanDerWaalsContact OG-CB 3.28Å; S258-E261 WeakPolarHBondContact OG-CB 3.38Å; S258-E261 PolarHBondContact OG-N 3.19Å; E261-K263 PolarHBondContact O-N 2.92Å; E261-L264 WeakPolarHBondContact O-CB 3.38Å; E261-L264 PolarHBondContact O-N 3.29Å; E261-F265 HydrophobicContact CG-CD1 4.43Å; E261-F265 HydrophobicContact CG-CE1 3.81Å; E261-F265 HydrophobicContact CG-CE2 4.08Å; E261-F265 HydrophobicContact CG-CZ 3.61Å; E261-F265 WeakPolarHBondContact O-CG 3.4Å; E261-F265 PolarHBondContact O-N 2.94Å; E261-F265 WeakPolarHBondContact OE1-CZ 3.49Å
262F92.7Very high93.1Very high57 Ų5763.1 Ų63.125%0.2534%0.335CS..Hα-helixtrans-60.4-46.3173.1-172.2-87.6000111.3T124 V246 V255 T257 S258 D260 L264 F265 E266T124-F262 HydrophobicContact CG2-CZ 4.46Å; V246-F262 HydrophobicContact CB-CD2 4.22Å; V246-F262 HydrophobicContact CB-CE2 3.83Å; V246-F262 HydrophobicContact CG1-CD2 4.02Å; V246-F262 HydrophobicContact CG1-CE2 3.49Å; V246-F262 VanDerWaalsContact CG1-CE2 3.49Å; V246-F262 HydrophobicContact CG1-CZ 4.22Å; V246-F262 HydrophobicContact CG2-CE2 4.28Å; V255-F262 HydrophobicContact CG1-CD2 4.05Å; V255-F262 HydrophobicContact CG1-CE2 4.29Å; T257-F262 HydrophobicContact CG2-CB 4.33Å; S258-F262 WeakPolarHBondContact O-CB 3.42Å; S258-F262 PolarHBondContact O-N 3.29Å; D260-F262 VanDerWaalsContact C-N 3.35Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 3.37Å; F262-F265 WeakPolarHBondContact O-CB 3.46Å; F262-F265 PolarHBondContact O-N 3.14Å; F262-F265 VanDerWaalsContact O-N 3.15Å; F262-E266 HydrophobicContact CD1-CG 3.89Å; F262-E266 HydrophobicContact CE1-CG 3.62Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.34Å; F262-E266 HydrophobicContact CZ-CG 4.25Å; F262-E266 WeakPolarHBondContact O-CG 3.37Å; F262-E266 PolarHBondContact O-N 2.92Å
263K92.4Very high93.3Very high106 Ų10660.9 Ų60.946%0.46132%0.321SS..Hα-helixtrans-58.9-37.1175-75.2170.7-174.91650112.4T259 D260 E261 Q267T259-K263 VanDerWaalsContact O-CG 3.31Å; T259-K263 WeakPolarHBondContact O-CG 3.25Å; T259-K263 PolarHBondContact O-N 3.46Å; D260-K263 PolarHBondContact O-N 3.49Å; D260-K263 IonicContact OD1-NZ 3.63Å; E261-K263 PolarHBondContact O-N 2.92Å; K263-Q267 WeakPolarHBondContact O-CG 3.36Å
264L93.2Very high93.6Very high105 Ų10560.3 Ų60.355%0.5532%0.318SS..Hα-helixtrans-66.5-45.7174.9-70.9170.9000111.1D260 E261 F262 E266 Q267D260-L264 WeakPolarHBondContact O-CG 3.17Å; D260-L264 PolarHBondContact O-N 3.07Å; E261-L264 WeakPolarHBondContact O-CB 3.38Å; E261-L264 PolarHBondContact O-N 3.29Å; F262-L264 VanDerWaalsContact C-N 3.26Å; F262-L264 PolarHBondContact O-N 3.37Å; L264-E266 VanDerWaalsContact C-N 3.33Å; L264-E266 PolarHBondContact O-N 2.93Å; L264-Q267 PolarHBondContact O-N 3.4Å
265F94Very high93.9Very high24 Ų2457.3 Ų57.311%0.10530%0.304CS..Hα-helixtrans-57.8-46.4177.2-71.1-5.3000111.7P132 G133 V244 T257 E261 F262 Q267 L268 P269P132-F265 HydrophobicContact CB-CE2 3.67Å; P132-F265 HydrophobicContact CB-CZ 4.27Å; G133-F265 VanDerWaalsContact N-CE2 3.35Å; V244-F265 HydrophobicContact CG1-CB 4.28Å; V244-F265 WeakPolarHBondContact CG1-O 3.25Å; V244-F265 HydrophobicContact CG2-CB 3.82Å; V244-F265 HydrophobicContact CG2-CG 4.33Å; T257-F265 HydrophobicContact CG2-CD2 4.11Å; T257-F265 HydrophobicContact CG2-CE2 3.72Å; T257-F265 HydrophobicContact CG2-CZ 4.41Å; E261-F265 HydrophobicContact CG-CD1 4.43Å; E261-F265 HydrophobicContact CG-CE1 3.81Å; E261-F265 HydrophobicContact CG-CE2 4.08Å; E261-F265 HydrophobicContact CG-CZ 3.61Å; E261-F265 WeakPolarHBondContact O-CG 3.4Å; E261-F265 PolarHBondContact O-N 2.94Å; E261-F265 WeakPolarHBondContact OE1-CZ 3.49Å; F262-F265 WeakPolarHBondContact O-CB 3.46Å; F262-F265 PolarHBondContact O-N 3.14Å; F262-F265 VanDerWaalsContact O-N 3.15Å; F265-Q267 PolarHBondContact O-N 3.44Å; F265-L268 HydrophobicContact CD1-CD1 4.14Å; F265-L268 WeakPolarHBondContact O-CB 3.29Å; F265-L268 WeakPolarHBondContact O-CG 3.32Å; F265-L268 PolarHBondContact O-N 3.11Å; F265-P269 WeakPolarHBondContact O-CD 3.32Å
266E92.3Very high94.2Very high43 Ų4354.8 Ų54.820%0.20129%0.288CS..Hα-helixtrans-59.6-19.8-178.5-75.2-162.2121.600115R50 T124 F262 L264R50-E266 VanDerWaalsContact CD-CD 3.46Å; R50-E266 WeakPolarHBondContact CD-OE1 3.33Å; R50-E266 IonicContact CZ-OE1 3.46Å; R50-E266 IonicContact NE-OE1 2.74Å; R50-E266 PolarHBondContact NE-OE1 2.89Å; R50-E266 IonicContact NH1-OE1 2.91Å; R50-E266 PolarHBondContact NH1-OE1 3.14Å; R50-E266 PolarHBondContact NH2-O 3.08Å; T124-E266 HydrophobicContact CG2-CG 3.72Å; F262-E266 HydrophobicContact CD1-CG 3.89Å; F262-E266 HydrophobicContact CE1-CG 3.62Å; F262-E266 WeakPolarHBondContact CE1-OE1 3.34Å; F262-E266 HydrophobicContact CZ-CG 4.25Å; F262-E266 WeakPolarHBondContact O-CG 3.37Å; F262-E266 PolarHBondContact O-N 2.92Å; L264-E266 VanDerWaalsContact C-N 3.33Å; L264-E266 PolarHBondContact O-N 2.93Å
267Q93.6Very high94.7Very high108 Ų10849.5 Ų49.551%0.50526%0.255SS..Hα-helixtrans-86.4-23.6176.5-65.2173.618.400113.1K263 L264 F265 G270 Q271K263-Q267 WeakPolarHBondContact O-CG 3.36Å; L264-Q267 PolarHBondContact O-N 3.4Å; F265-Q267 PolarHBondContact O-N 3.44Å; Q267-G270 WeakPolarHBondContact O-CA 3.1Å; Q267-G270 PolarHBondContact O-N 3.4Å; Q267-Q271 PolarHBondContact O-N 2.92Å
268L94.8Very high95Very high30 Ų3052.3 Ų52.316%0.15727%0.266CS..Hα-helixtrans-57.3-43.3-174.5-63.1177.5000113.6G133 I135 L182 V244 F265 G270 Q271 L272G133-L268 WeakPolarHBondContact O-CD1 3.35Å; I135-L268 HydrophobicContact CD1-CB 3.92Å; I135-L268 HydrophobicContact CG1-CB 4.04Å; L182-L268 HydrophobicContact CD2-CD2 4.27Å; V244-L268 HydrophobicContact CG2-CD1 4.09Å; F265-L268 HydrophobicContact CD1-CD1 4.14Å; F265-L268 WeakPolarHBondContact O-CB 3.29Å; F265-L268 WeakPolarHBondContact O-CG 3.32Å; F265-L268 PolarHBondContact O-N 3.11Å; L268-G270 VanDerWaalsContact C-N 3.3Å; L268-G270 PolarHBondContact O-N 2.92Å; L268-Q271 PolarHBondContact O-N 3.07Å; L268-L272 PolarHBondContact O-N 3.2Å
269P96.3Very high95.1Very high0 Ų056.1 Ų56.10%027%0.27CS..Hα-helixtrans-58.7-42.3174-26.837.6000112.7L122 V242 V244 F265 L272 V273L122-P269 HydrophobicContact CB-CB 4.36Å; L122-P269 HydrophobicContact CD2-CB 4.1Å; V242-P269 HydrophobicContact CB-CB 4.47Å; V242-P269 HydrophobicContact CG1-CB 3.91Å; V244-P269 HydrophobicContact CB-CG 3.92Å; V244-P269 HydrophobicContact CG1-CG 4.14Å; F265-P269 WeakPolarHBondContact O-CD 3.32Å; P269-L272 PolarHBondContact O-N 2.88Å; P269-V273 WeakPolarHBondContact O-CB 3.38Å; P269-V273 WeakPolarHBondContact O-CG2 3.3Å; P269-V273 PolarHBondContact O-N 3.5Å
270G96.7Very high95.3Very high13 Ų1353.9 Ų53.913%0.13425%0.254CS..Hα-helixtrans-66.2-37.3178.700000112.6F54 Q267 L268 G274F54-G270 WeakPolarHBondContact CE2-O 3.34Å; Q267-G270 WeakPolarHBondContact O-CA 3.1Å; Q267-G270 PolarHBondContact O-N 3.4Å; L268-G270 VanDerWaalsContact C-N 3.3Å; L268-G270 PolarHBondContact O-N 2.92Å; G270-G274 WeakPolarHBondContact O-CA 3.35Å; G270-G274 PolarHBondContact O-N 3.1Å
271Q95.1Very high95.5Very high103 Ų10354.7 Ų54.748%0.48126%0.258SS..Hα-helixtrans-61.6-48.6175.8-69.7176.80.400111.9Q267 L268 E275Q267-Q271 PolarHBondContact O-N 2.92Å; L268-Q271 PolarHBondContact O-N 3.07Å; Q271-E275 PolarHBondContact O-N 3.29Å
272L96.3Very high95.7Very high0 Ų050.6 Ų50.60%024%0.24CC..Hα-helixtrans-65.1-46.6178.5177.261.4000111.7I135 L137 L173 L176 L180 L182 V242 L268 P269 E275 Y276I135-L272 HydrophobicContact CD1-CB 4.3Å; I135-L272 HydrophobicContact CD1-CD2 4.25Å; I135-L272 HydrophobicContact CG2-CD2 4.32Å; L137-L272 HydrophobicContact CD2-CD2 4Å; L173-L272 HydrophobicContact CD2-CD1 4.29Å; L173-L272 HydrophobicContact CD2-CD2 4.18Å; L173-L272 HydrophobicContact CD2-CG 3.79Å; L176-L272 HydrophobicContact CB-CD1 4.18Å; L176-L272 HydrophobicContact CD2-CD1 4.02Å; L176-L272 HydrophobicContact CG-CD1 3.89Å; L180-L272 HydrophobicContact CD1-CD1 3.82Å; L182-L272 HydrophobicContact CD1-CB 4.01Å; L182-L272 HydrophobicContact CD1-CD1 4.41Å; V242-L272 HydrophobicContact CG1-CD2 4.41Å; L268-L272 PolarHBondContact O-N 3.2Å; P269-L272 PolarHBondContact O-N 2.88Å; L272-E275 PolarHBondContact O-N 3.25Å; L272-Y276 PolarHBondContact O-N 2.93Å; L272-Y276 VanDerWaalsContact O-N 3.12Å
273V97.9Very high95.9Very high0 Ų048.2 Ų48.20%023%0.229CC..Hα-helixtrans-70.4-33.9-178.7171.10000111.7F54 I120 L122 L173 V242 P269 E275 Y276 L277F54-V273 HydrophobicContact CE1-CG1 4.48Å; F54-V273 HydrophobicContact CZ-CB 4.43Å; F54-V273 HydrophobicContact CZ-CG1 4.1Å; I120-V273 HydrophobicContact CD1-CG1 3.95Å; I120-V273 HydrophobicContact CG2-CG1 3.92Å; I120-V273 HydrophobicContact CG2-CG2 3.86Å; L122-V273 HydrophobicContact CD2-CB 3.8Å; L122-V273 HydrophobicContact CD2-CG1 4.07Å; L122-V273 HydrophobicContact CD2-CG2 3.56Å; L173-V273 HydrophobicContact CD2-CG2 4.3Å; V242-V273 HydrophobicContact CB-CG2 4.14Å; V242-V273 HydrophobicContact CG1-CG2 4.17Å; V242-V273 HydrophobicContact CG2-CG2 3.81Å; P269-V273 WeakPolarHBondContact O-CB 3.38Å; P269-V273 WeakPolarHBondContact O-CG2 3.3Å; P269-V273 PolarHBondContact O-N 3.5Å; V273-E275 VanDerWaalsContact C-N 3.35Å; V273-E275 PolarHBondContact O-N 2.99Å; V273-Y276 WeakPolarHBondContact O-CB 3.27Å; V273-Y276 PolarHBondContact O-N 3.46Å; V273-Y276 VanDerWaalsContact O-N 3.14Å; V273-L277 HydrophobicContact CG1-CD1 3.83Å; V273-L277 HydrophobicContact CG1-CG 3.98Å; V273-L277 WeakPolarHBondContact O-CB 3.22Å; V273-L277 VanDerWaalsContact O-CG 3.25Å; V273-L277 WeakPolarHBondContact O-CG 3.49Å; V273-L277 PolarHBondContact O-N 3.41Å
274G97.6Very high96.1Very high3 Ų347.1 Ų47.13%0.03123%0.228CC..Hα-helixtrans-60.1-44.117600000112.2M58 G270 L277 K278M58-G274 VanDerWaalsContact SD-CA 3.52Å; G270-G274 WeakPolarHBondContact O-CA 3.35Å; G270-G274 PolarHBondContact O-N 3.1Å; G274-L277 PolarHBondContact O-N 3.21Å; G274-K278 WeakPolarHBondContact O-CB 3.43Å; G274-K278 PolarHBondContact O-N 3.21Å
275E96.1Very high95.9Very high53 Ų5346.4 Ų46.425%0.24823%0.227CC..Hα-helixtrans-66.4-36.7173-78.6-58.9151.900112.8L176 Q271 L272 V273 K278 R279L176-E275 HydrophobicContact CD2-CB 3.98Å; Q271-E275 PolarHBondContact O-N 3.29Å; L272-E275 PolarHBondContact O-N 3.25Å; V273-E275 VanDerWaalsContact C-N 3.35Å; V273-E275 PolarHBondContact O-N 2.99Å; E275-K278 PolarHBondContact O-N 3.29Å; E275-R279 VanDerWaalsContact O-CG 3.31Å; E275-R279 WeakPolarHBondContact O-CG 3.43Å; E275-R279 PolarHBondContact O-N 2.88Å; E275-R279 VanDerWaalsContact O-N 3.13Å; E275-R279 IonicContact OE2-NE 3.48Å
276Y97.7Very high95.8Very high11 Ų1153.4 Ų53.44%0.04325%0.253CS..Hα-helixtrans-61.3-48.1173.8179.1-97.3000111.8F41 L118 I120 E172 L173 L272 V273 K278 R279 N280F41-Y276 HydrophobicContact CE1-CE1 4.22Å; L118-Y276 HydrophobicContact CD2-CE1 4.02Å; I120-Y276 HydrophobicContact CD1-CD1 4.45Å; E172-Y276 HydrophobicContact CB-CD2 4.46Å; E172-Y276 HydrophobicContact CB-CE2 3.76Å; E172-Y276 WeakPolarHBondContact OE2-CE2 3.49Å; E172-Y276 PolarHBondContact OE2-OH 3.22Å; L173-Y276 HydrophobicContact CD2-CD2 3.91Å; L173-Y276 HydrophobicContact CD2-CG 3.78Å; L173-Y276 HydrophobicContact CG-CD2 3.91Å; L173-Y276 HydrophobicContact CG-CE2 4.37Å; L173-Y276 HydrophobicContact CG-CG 4.15Å; L272-Y276 PolarHBondContact O-N 2.93Å; L272-Y276 VanDerWaalsContact O-N 3.12Å; V273-Y276 WeakPolarHBondContact O-CB 3.27Å; V273-Y276 PolarHBondContact O-N 3.46Å; V273-Y276 VanDerWaalsContact O-N 3.14Å; Y276-K278 PolarHBondContact O-N 3.32Å; Y276-R279 PolarHBondContact O-N 3.14Å; Y276-N280 WeakPolarHBondContact CD2-ND2 3.4Å; Y276-N280 HydrophobicContact CE1-CB 4.49Å; Y276-N280 VanDerWaalsContact CE2-ND2 3.26Å; Y276-N280 WeakPolarHBondContact CE2-ND2 3.4Å; Y276-N280 WeakPolarHBondContact O-CB 3.39Å; Y276-N280 PolarHBondContact O-N 3.32Å; Y276-N280 PolarHBondContact O-ND2 3.31Å
277L98.3Very high96Very high0 Ų054 Ų540%026%0.256CS..Hα-helixtrans-63.2-41.9179-70.2173.3000111.4F41 F54 M58 I86 I120 V273 G274 R279 N280 N281 G282F41-L277 HydrophobicContact CB-CD2 3.76Å; F41-L277 HydrophobicContact CD1-CD2 3.56Å; F41-L277 HydrophobicContact CD2-CD2 3.8Å; F41-L277 HydrophobicContact CE1-CD2 4.08Å; F41-L277 HydrophobicContact CE2-CD2 4.29Å; F41-L277 HydrophobicContact CG-CD2 3.4Å; F41-L277 VanDerWaalsContact CG-CD2 3.4Å; F41-L277 HydrophobicContact CZ-CD2 4.41Å; F54-L277 HydrophobicContact CE1-CD1 4.24Å; F54-L277 HydrophobicContact CZ-CD1 4.01Å; M58-L277 HydrophobicContact CE-CB 3.68Å; M58-L277 HydrophobicContact CE-CD1 3.94Å; M58-L277 HydrophobicContact CE-CG 4.49Å; M58-L277 HydrophobicContact SD-CD1 4.34Å; I86-L277 HydrophobicContact CD1-CB 4.21Å; I86-L277 HydrophobicContact CD1-CD1 3.81Å; I86-L277 HydrophobicContact CD1-CD2 4.43Å; I86-L277 HydrophobicContact CD1-CG 4.38Å; I86-L277 HydrophobicContact CG1-CD1 4.19Å; I86-L277 HydrophobicContact CG1-CD2 4.19Å; I86-L277 HydrophobicContact CG2-CD1 4.41Å; I120-L277 HydrophobicContact CD1-CD2 4.09Å; V273-L277 HydrophobicContact CG1-CD1 3.83Å; V273-L277 HydrophobicContact CG1-CG 3.98Å; V273-L277 WeakPolarHBondContact O-CB 3.22Å; V273-L277 VanDerWaalsContact O-CG 3.25Å; V273-L277 WeakPolarHBondContact O-CG 3.49Å; V273-L277 PolarHBondContact O-N 3.41Å; G274-L277 PolarHBondContact O-N 3.21Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.23Å; L277-N280 CarbonylContact O-C 3.53Å; L277-N280 PolarHBondContact O-N 3.11Å; L277-N281 PolarHBondContact O-N 3.44Å; L277-G282 WeakPolarHBondContact O-CA 3.43Å; L277-G282 PolarHBondContact O-N 3.1Å
278K96.7Very high96.1Very high82 Ų8251.1 Ų51.136%0.35724%0.243SC..Hα-helixtrans-58.8-40.2175.3-177.2179.4178.1-176.90112.4G274 E275 Y276 I283 V285G274-K278 WeakPolarHBondContact O-CB 3.43Å; G274-K278 PolarHBondContact O-N 3.21Å; E275-K278 PolarHBondContact O-N 3.29Å; Y276-K278 PolarHBondContact O-N 3.32Å; K278-I283 HydrophobicContact CB-CD1 4.18Å; K278-I283 HydrophobicContact CB-CG1 4.42Å; K278-I283 HydrophobicContact CG-CD1 4.21Å; K278-V285 HydrophobicContact CG-CG2 4.22Å
279R95.4Very high96.2Very high146 Ų14652.3 Ų52.355%0.55125%0.247SC*.Hα-helixtrans-79.9-19.7-179.4-66.7176.1-169.8-1503.2114.1E275 Y276 L277E275-R279 VanDerWaalsContact O-CG 3.31Å; E275-R279 WeakPolarHBondContact O-CG 3.43Å; E275-R279 PolarHBondContact O-N 2.88Å; E275-R279 VanDerWaalsContact O-N 3.13Å; E275-R279 IonicContact OE2-NE 3.48Å; Y276-R279 PolarHBondContact O-N 3.14Å; L277-R279 VanDerWaalsContact C-N 3.3Å; L277-R279 PolarHBondContact O-N 3.23Å
280N97.2Very high96.2Very high54 Ų5455.4 Ų55.429%0.28926%0.262SS..THydrogen-bonded Turntrans-114.332.3-176.1-68.6-80.7000112.7F41 Y276 L277 G282F41-N280 WeakPolarHBondContact CE2-O 3.38Å; F41-N280 HydrophobicContact CZ-CB 4.09Å; F41-N280 VanDerWaalsContact CZ-O 3.3Å; F41-N280 WeakPolarHBondContact CZ-O 3.41Å; Y276-N280 WeakPolarHBondContact CD2-ND2 3.4Å; Y276-N280 HydrophobicContact CE1-CB 4.49Å; Y276-N280 VanDerWaalsContact CE2-ND2 3.26Å; Y276-N280 WeakPolarHBondContact CE2-ND2 3.4Å; Y276-N280 WeakPolarHBondContact O-CB 3.39Å; Y276-N280 PolarHBondContact O-N 3.32Å; Y276-N280 PolarHBondContact O-ND2 3.31Å; L277-N280 CarbonylContact O-C 3.53Å; L277-N280 PolarHBondContact O-N 3.11Å; N280-G282 PolarHBondContact O-N 3.2Å
281N97.1Very high96.1Very high125 Ų12558 Ų5867%0.66827%0.27SS*.THydrogen-bonded Turntrans56.734.3174.9-5494000113.8H85 L277 I283H85-N281 PolarHBondContact CD2-O 2.93Å; H85-N281 VanDerWaalsContact CD2-O 3.3Å; L277-N281 PolarHBondContact O-N 3.44Å; N281-I283 VanDerWaalsContact C-N 3.33Å
282G97.8Very high96.2Very high0 Ų055 Ų550%026%0.256CS..SBendtrans-72.2-31.6168.300000112.2H85 I86 L277 N280H85-G282 PolarHBondContact N-O 2.84Å; H85-G282 VanDerWaalsContact N-O 3.12Å; I86-G282 VanDerWaalsContact CD1-O 3.29Å; I86-G282 WeakPolarHBondContact CD1-O 3.5Å; I86-G282 WeakPolarHBondContact CG1-O 3.21Å; L277-G282 WeakPolarHBondContact O-CA 3.43Å; L277-G282 PolarHBondContact O-N 3.1Å; N280-G282 PolarHBondContact O-N 3.2Å
283I97.7Very high96.2Very high7 Ų758.9 Ų58.94%0.03627%0.274CS..SBendtrans-124.9154.8175.655.8172.4000111M58 L61 A62 V83 I86 K278 N281 V285M58-I283 HydrophobicContact CE-CD1 4.09Å; M58-I283 HydrophobicContact CE-CG1 4.39Å; M58-I283 HydrophobicContact CE-CG2 3.75Å; L61-I283 HydrophobicContact CB-CD1 3.72Å; A62-I283 HydrophobicContact CB-CB 3.9Å; A62-I283 HydrophobicContact CB-CD1 4.3Å; A62-I283 HydrophobicContact CB-CG2 4.03Å; V83-I283 HydrophobicContact CG1-CG2 4.26Å; I86-I283 HydrophobicContact CD1-CG2 3.57Å; K278-I283 HydrophobicContact CB-CD1 4.18Å; K278-I283 HydrophobicContact CB-CG1 4.42Å; K278-I283 HydrophobicContact CG-CD1 4.21Å; N281-I283 VanDerWaalsContact C-N 3.33Å; I283-V285 HydrophobicContact CD1-CG2 4.45Å
284I95.9Very high96.1Very high83 Ų8363.5 Ų63.543%0.42630%0.295SS..  trans-92112.9167.6-62164.7000106.5D84 R286D84-I284 PolarHBondContact OD2-N 3.34Å; I284-R286 HydrophobicContact CG2-CG 4.31Å; I284-R286 PolarHBondContact O-N 3.16Å; I284-R286 PolarHBondContact O-NH1 3.34Å
285V89.7Confident95.9Very high89 Ų8968.5 Ų68.554%0.53932%0.317SS..  trans-76.3109.4175.4-176.80000107.9K278 I283K278-V285 HydrophobicContact CG-CG2 4.22Å; I283-V285 HydrophobicContact CD1-CG2 4.45Å
286R91.6Very high95.9Very high172 Ų17269.9 Ų69.965%0.64932%0.323SS*.  trans-90.50-178.6-64.5172.4-178.975.20.6111.8A62 L64 D84 I284A62-R286 WeakPolarHBondContact O-CD 3.4Å; A62-R286 WeakPolarHBondContact O-CG 3.06Å; A62-R286 PolarHBondContact O-NH1 2.99Å; L64-R286 VanDerWaalsContact CD2-CZ 3.48Å; D84-R286 IonicContact OD1-CZ 2.9Å; D84-R286 IonicContact OD1-NH1 2.79Å; D84-R286 PolarHBondContact OD1-NH1 3.3Å; D84-R286 IonicContact OD1-NH2 3.07Å; D84-R286 PolarHBondContact OD1-NH2 3.18Å; D84-R286 IonicContact OD2-CZ 3.5Å; D84-R286 IonicContact OD2-NH1 2.84Å; D84-R286 PolarHBondContact OD2-NH1 3.24Å; D84-R286 IonicContact OD2-NH2 3.86Å; I284-R286 HydrophobicContact CG2-CG 4.31Å; I284-R286 PolarHBondContact O-N 3.16Å; I284-R286 PolarHBondContact O-NH1 3.34Å

Retrieved 286 of 286 residues in 78.3 ms (Link to these results)

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