UPPA_SCHMA Loading...

Uridine phosphorylase A

Catalyzes the reversible phosphorylytic cleavage of uridine and deoxyuridine to uracil and ribose- or deoxyribose-1-phosphate1. The produced molecules are then utilized as carbon and energy sources or in the rescue of pyrimidine bases for nucleotide synthesis (Probable).

AlphaFold DB , UniProt , Accession G4VGI0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene UPPA, Length 296 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.1Very low74.3Confident204 Ų204106.7 Ų106.7100%1.00560%0.603SS**  0138.20-64.8-177.7-15100107.6T3M1-T3 PolarHBondContact O-N 3.19Å; M1-T3 VanDerWaalsContact O-N 3.13Å
2A40.6Very low76.1Confident87 Ų8799.5 Ų99.572%0.71956%0.562SS**  trans-61.7114.8172.700000108.4V4 Y243A2-V4 PolarHBondContact O-N 3.21Å; A2-V4 VanDerWaalsContact O-N 3.15Å; A2-Y243 PolarHBondContact O-OH 2.8Å
3T53.9Low77.3Confident134 Ų134100.1 Ų100.182%0.82258%0.576SS**  trans-67.1108.5170.141.90000107.2M1 Q5M1-T3 PolarHBondContact O-N 3.19Å; M1-T3 VanDerWaalsContact O-N 3.13Å; T3-Q5 PolarHBondContact O-N 2.77Å
4V65.7Low78.6Confident61 Ų61102.6 Ų102.637%0.3758%0.58SS.*PPolyproline II helixtrans-59.6130.8170.9166.20000107.7A2 Y243A2-V4 PolarHBondContact O-N 3.21Å; A2-V4 VanDerWaalsContact O-N 3.15Å; V4-Y243 HydrophobicContact CB-CE1 4.33Å; V4-Y243 HydrophobicContact CB-CE2 4.42Å; V4-Y243 HydrophobicContact CG2-CE1 3.92Å; V4-Y243 WeakPolarHBondContact CG2-OH 3.48Å
5Q77.3Confident79.8Confident173 Ų173101.3 Ų101.381%0.80857%0.57SS**PPolyproline II helixtrans-61.2127.1173.6-168.6179.8100107.9T3 I7T3-Q5 PolarHBondContact O-N 2.77Å; Q5-I7 PolarHBondContact O-N 3.38Å
6P84.9Confident80.8Confident65 Ų65104.9 Ų104.942%0.42259%0.588SS.*PPolyproline II helixtrans-54.5130.4-177.7-26.735000111V8 L244P6-V8 PolarHBondContact O-N 3.13Å; P6-L244 CarbonylContact C-O 3.58Å; P6-L244 WeakPolarHBondContact CA-O 3.39Å
7I85.2Confident81.8Confident108 Ų108102.8 Ų102.855%0.55457%0.572SS**  trans-76.6110.9174-57.2179.6000107.4Q5 L244Q5-I7 PolarHBondContact O-N 3.38Å; I7-L244 HydrophobicContact CD1-CB 4.35Å; I7-L244 HydrophobicContact CD1-CD1 4.42Å; I7-L244 HydrophobicContact CD1-CD2 3.96Å; I7-L244 HydrophobicContact CD1-CG 4.48Å; I7-L244 PolarHBondContact N-O 3.3Å
8V82.1Confident82.7Confident78 Ų7897.8 Ų97.847%0.47354%0.544SS..  trans-104.2124.6167.6-178.60000107.3P6 S10 H110P6-V8 PolarHBondContact O-N 3.13Å; V8-S10 PolarHBondContact O-N 2.99Å; V8-S10 VanDerWaalsContact O-N 3.14Å; V8-H110 VanDerWaalsContact CG1-CE1 3.41Å; V8-H110 WeakPolarHBondContact CG1-CE1 3.47Å
9N93.7Very high83.5Confident82 Ų8296.9 Ų96.944%0.43954%0.542SS..  trans-65.7113.3175.1175.210.1000109.3H11 L12N9-H11 PolarHBondContact O-N 3.13Å; N9-H11 WeakPolarHBondContact OD1-CB 3.41Å; N9-H11 PolarHBondContact OD1-CD2 3.34Å; N9-H11 PolarHBondContact OD1-N 3.35Å; N9-H11 VanDerWaalsContact OD1-N 3.16Å; N9-L12 HydrophobicContact CB-CD1 4.11Å; N9-L12 HydrophobicContact CB-CG 3.96Å; N9-L12 WeakPolarHBondContact O-CB 3.46Å; N9-L12 WeakPolarHBondContact O-CG 3.38Å; N9-L12 PolarHBondContact O-N 3.39Å; N9-L12 VanDerWaalsContact O-N 3.07Å
10S93.9Very high84.2Confident76 Ų7692.1 Ų92.153%0.53152%0.515SS..G310 helixtrans-58.2-32.4-176.651.20000113V8 L12 S13V8-S10 PolarHBondContact O-N 2.99Å; V8-S10 VanDerWaalsContact O-N 3.14Å; S10-L12 PolarHBondContact O-N 3.37Å; S10-S13 PolarHBondContact O-N 3.16Å; S10-S13 PolarHBondContact O-OG 3.2Å
11H97Very high84.8Confident106 Ų10694.2 Ų94.249%0.49152%0.52SS..G310 helixtrans-65.2-19.3179.6-62-60.2000113.5N9 S13 E14N9-H11 PolarHBondContact O-N 3.13Å; N9-H11 WeakPolarHBondContact OD1-CB 3.41Å; N9-H11 PolarHBondContact OD1-CD2 3.34Å; N9-H11 PolarHBondContact OD1-N 3.35Å; N9-H11 VanDerWaalsContact OD1-N 3.16Å; H11-S13 PolarHBondContact O-N 3.07Å; H11-E14 IonicContact CG-OE2 2.84Å; H11-E14 IonicContact ND1-OE2 2.99Å; H11-E14 PolarHBondContact ND1-OE2 3.46Å; H11-E14 WeakPolarHBondContact O-CB 3.36Å; H11-E14 PolarHBondContact O-N 3.14Å; H11-E14 VanDerWaalsContact O-N 3.13Å
12L95.7Very high87.5Confident20 Ų2087 Ų8711%0.10548%0.484CS..G310 helixtrans-63.6-32.1176.7-63.3-179.8000112.1N9 S10 E14 L15 K107N9-L12 HydrophobicContact CB-CD1 4.11Å; N9-L12 HydrophobicContact CB-CG 3.96Å; N9-L12 WeakPolarHBondContact O-CB 3.46Å; N9-L12 WeakPolarHBondContact O-CG 3.38Å; N9-L12 PolarHBondContact O-N 3.39Å; N9-L12 VanDerWaalsContact O-N 3.07Å; S10-L12 PolarHBondContact O-N 3.37Å; L12-E14 PolarHBondContact O-N 2.8Å; L12-L15 HydrophobicContact CD2-CD1 4.09Å; L12-L15 PolarHBondContact O-N 3.28Å; L12-K107 HydrophobicContact CD1-CD 4.06Å; L12-K107 HydrophobicContact CD1-CG 3.93Å; L12-K107 HydrophobicContact CD2-CD 3.68Å; L12-K107 HydrophobicContact CD2-CG 4.47Å
13S92.4Very high90.2Very high107 Ų10782.8 Ų82.875%0.74845%0.449SS*.G310 helixtrans-73.3-13.1177.866.50000113.9S10 H11S10-S13 PolarHBondContact O-N 3.16Å; S10-S13 PolarHBondContact O-OG 3.2Å; H11-S13 PolarHBondContact O-N 3.07Å
14E95.4Very high92.3Very high135 Ų13579.1 Ų79.163%0.63144%0.438SS*.G310 helixtrans-92.1-7.8179.6-57.6172.5167.700111.9H11 L12H11-E14 IonicContact CG-OE2 2.84Å; H11-E14 IonicContact ND1-OE2 2.99Å; H11-E14 PolarHBondContact ND1-OE2 3.46Å; H11-E14 WeakPolarHBondContact O-CB 3.36Å; H11-E14 PolarHBondContact O-N 3.14Å; H11-E14 VanDerWaalsContact O-N 3.13Å; L12-E14 PolarHBondContact O-N 2.8Å
15L96.2Very high93.8Very high84 Ų8476.7 Ų76.744%0.4442%0.423SS..  trans-84.4126.3-178.9-61.7176.3000110.9L12 E17 D18L12-L15 HydrophobicContact CD2-CD1 4.09Å; L12-L15 PolarHBondContact O-N 3.28Å; L15-E17 PolarHBondContact O-N 3.26Å; L15-D18 HydrophobicContact CD1-CB 3.84Å
16D96Very high94.8Very high159 Ų15969.6 Ų69.685%0.8539%0.391SS*.SBendtrans-64.7-33.1168-70-28.1000111.8
17E97.6Very high95.4Very high69 Ų6968.1 Ų68.132%0.32238%0.381SS..SBendtrans-153134.9178.9-178.9168.3-167.800109.1L15 T26 K28L15-E17 PolarHBondContact O-N 3.26Å; E17-T26 HydrophobicContact CG-CG2 4.45Å; E17-T26 WeakPolarHBondContact OE1-CB 3.12Å; E17-T26 WeakPolarHBondContact OE1-CG2 3.42Å; E17-T26 PolarHBondContact OE1-OG1 2.95Å; E17-K28 HydrophobicContact CB-CD 4.42Å; E17-K28 HydrophobicContact CB-CG 4.48Å; E17-K28 HydrophobicContact CG-CD 4.22Å; E17-K28 HydrophobicContact CG-CG 4.05Å; E17-K28 WeakPolarHBondContact OE2-CD 3.25Å; E17-K28 WeakPolarHBondContact OE2-CE 3.3Å; E17-K28 IonicContact OE2-NZ 3.87Å; E17-K28 PolarHBondContact OE2-NZ 3.32Å
18D97.8Very high96Very high12 Ų1269.4 Ų69.46%0.06438%0.382CS..  trans-110.9126.5176.7-1715.5000109.6L15 F20 T26 T27 K107 Y111L15-D18 HydrophobicContact CD1-CB 3.84Å; D18-F20 HydrophobicContact CB-CE2 4.44Å; D18-T26 CarbonylContact O-C 3.55Å; D18-T26 VanDerWaalsContact O-CA 3.24Å; D18-T26 WeakPolarHBondContact O-CA 3.41Å; D18-T26 WeakPolarHBondContact O-CB 3.37Å; D18-T27 HydrophobicContact CB-CG2 3.89Å; D18-T27 PolarHBondContact N-OG1 2.92Å; D18-T27 VanDerWaalsContact N-OG1 3.09Å; D18-T27 PolarHBondContact O-N 3.3Å; D18-K107 IonicContact OD1-NZ 2.77Å; D18-K107 PolarHBondContact OD1-NZ 3.49Å; D18-K107 VanDerWaalsContact OD2-CD 3.3Å; D18-K107 WeakPolarHBondContact OD2-CD 3.47Å; D18-K107 WeakPolarHBondContact OD2-CE 3.38Å; D18-K107 IonicContact OD2-NZ 2.71Å; D18-K107 PolarHBondContact OD2-NZ 3.15Å; D18-Y111 HydrophobicContact CB-CE2 3.97Å; D18-Y111 VanDerWaalsContact CB-OH 3.3Å; D18-Y111 WeakPolarHBondContact CB-OH 3.27Å; D18-Y111 VanDerWaalsContact OD2-CE2 3.26Å; D18-Y111 WeakPolarHBondContact OD2-CE2 3.3Å; D18-Y111 PolarHBondContact OD2-OH 3.33Å
19V97.7Very high96.7Very high82 Ų8268.4 Ų68.450%0.49738%0.379SS..EExtended strand (participates in β ladder)trans-96.3124-176.6-178.70000109.5H21 T26V19-H21 VanDerWaalsContact C-N 3.35Å; V19-H21 PolarHBondContact O-N 3.28Å; V19-T26 HydrophobicContact CB-CG2 4.34Å; V19-T26 HydrophobicContact CG1-CG2 4.29Å; V19-T26 HydrophobicContact CG2-CG2 3.92Å
20F97.9Very high96.7Very high0 Ų067.4 Ų67.40%037%0.371CS..EExtended strand (participates in β ladder)trans-92.675.7174.4-67.2-113.2000107.2D18 H22 F23 G24 F25 T27 F32 E104 K107 L108 Y111D18-F20 HydrophobicContact CB-CE2 4.44Å; F20-H22 PolarHBondContact O-N 3.09Å; F20-H22 VanDerWaalsContact O-N 3.15Å; F20-F23 HydrophobicContact CB-CB 4.21Å; F20-F23 HydrophobicContact CD1-CD2 4.44Å; F20-F23 CarbonylContact O-C 3.59Å; F20-F23 PolarHBondContact O-N 3.13Å; F20-F23 VanDerWaalsContact O-N 3.12Å; F20-G24 PolarHBondContact O-N 3.05Å; F20-F25 WeakPolarHBondContact CA-O 3.48Å; F20-F25 HydrophobicContact CB-CD2 3.93Å; F20-F25 HydrophobicContact CB-CE2 3.83Å; F20-F25 HydrophobicContact CB-CZ 4.43Å; F20-F25 WeakPolarHBondContact CB-O 3.48Å; F20-F25 AromaticContact CD1-CE2 3.84Å; F20-F25 HydrophobicContact CD1-CE2 3.84Å; F20-F25 HydrophobicContact CD1-CZ 4.38Å; F20-F25 HydrophobicContact CD2-CD2 4.12Å; F20-F25 HydrophobicContact CD2-CE2 4.01Å; F20-F25 HydrophobicContact CE1-CE2 4.44Å; 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 HydrophobicContact CG-CZ 4.44Å; F20-F25 PolarHBondContact N-O 2.92Å; F20-T27 HydrophobicContact CE2-CG2 4.06Å; F20-F32 HydrophobicContact CD2-CZ 4.47Å; F20-F32 HydrophobicContact CE1-CE1 4.41Å; F20-F32 HydrophobicContact CE2-CE1 4.01Å; F20-F32 HydrophobicContact CE2-CZ 4.01Å; F20-F32 AromaticContact CZ-CE1 3.81Å; F20-F32 HydrophobicContact CZ-CE1 3.81Å; F20-F32 HydrophobicContact CZ-CZ 4.27Å; F20-E104 HydrophobicContact CD1-CB 3.91Å; F20-E104 HydrophobicContact CD1-CG 4.31Å; F20-E104 WeakPolarHBondContact CE1-O 3.48Å; F20-K107 HydrophobicContact CE1-CB 3.93Å; F20-K107 HydrophobicContact CZ-CB 3.9Å; F20-L108 HydrophobicContact CE1-CB 3.73Å; F20-L108 HydrophobicContact CZ-CB 4.28Å; F20-Y111 HydrophobicContact CE2-CD2 4.28Å; F20-Y111 HydrophobicContact CE2-CE2 4.14Å; F20-Y111 AromaticContact CZ-CD2 3.84Å; F20-Y111 HydrophobicContact CZ-CD2 3.84Å; F20-Y111 AromaticContact CZ-CE2 3.88Å; F20-Y111 HydrophobicContact CZ-CE2 3.88Å
21H97.8Very high96.9Very high137 Ų13768.3 Ų68.363%0.63437%0.37SS*.THydrogen-bonded Turntrans-55.4-36.3-169.2-176.174000112.6V19 E104V19-H21 VanDerWaalsContact C-N 3.35Å; V19-H21 PolarHBondContact O-N 3.28Å; H21-E104 PolarHBondContact N-OE1 3.07Å
22H98.5Very high97Very high51 Ų5163.8 Ų63.824%0.23635%0.349CS..THydrogen-bonded Turntrans-87.1-20.2-175.9-55.883.7000112.9F20 A76 R77 F78 I100 E104F20-H22 PolarHBondContact O-N 3.09Å; F20-H22 VanDerWaalsContact O-N 3.15Å; H22-A76 WeakPolarHBondContact O-CB 3.32Å; H22-R77 HydrophobicContact CB-CB 4.17Å; H22-R77 PolarHBondContact O-N 3.39Å; H22-F78 HydrophobicContact CB-CD2 3.79Å; H22-F78 HydrophobicContact CB-CE2 3.89Å; H22-F78 PolarHBondContact O-N 3.36Å; H22-I100 HydrophobicContact CB-CG2 4.02Å; H22-I100 VanDerWaalsContact CE1-CG2 3.46Å; H22-I100 WeakPolarHBondContact CE1-CG2 3.33Å; H22-I100 VanDerWaalsContact ND1-CG2 3.31Å; H22-I100 WeakPolarHBondContact ND1-CG2 3.3Å; H22-E104 IonicContact CE1-OE1 3.15Å; H22-E104 IonicContact CG-OE1 3.2Å; H22-E104 PolarHBondContact N-OE1 3.3Å; H22-E104 PolarHBondContact N-OE2 3.4Å; H22-E104 IonicContact ND1-OE1 2.55Å; H22-E104 PolarHBondContact ND1-OE1 2.91Å
23F98.3Very high97.1Very high0 Ų070 Ų700%038%0.375CS..THydrogen-bonded Turntrans-97.7-1.3168.1-67.7-58.7000115F20 F25 A72 F78 L80 A89 M101 E104 V105F20-F23 HydrophobicContact CB-CB 4.21Å; F20-F23 HydrophobicContact CD1-CD2 4.44Å; F20-F23 CarbonylContact O-C 3.59Å; F20-F23 PolarHBondContact O-N 3.13Å; F20-F23 VanDerWaalsContact O-N 3.12Å; F23-F25 VanDerWaalsContact C-N 3.34Å; F23-F25 HydrophobicContact CB-CD1 3.9Å; F23-F25 HydrophobicContact CB-CE1 3.39Å; F23-F25 HydrophobicContact CB-CZ 3.73Å; F23-F25 HydrophobicContact CD2-CZ 4.39Å; F23-F25 HydrophobicContact CG-CE1 4.18Å; F23-F25 HydrophobicContact CG-CZ 4.28Å; F23-F25 VanDerWaalsContact O-CD1 3.22Å; F23-F25 WeakPolarHBondContact O-CD1 3.31Å; F23-F25 PolarHBondContact O-N 3.4Å; F23-A72 HydrophobicContact CB-CB 4.18Å; F23-A72 HydrophobicContact CD1-CB 4Å; F23-A72 CarbonylContact O-C 3.59Å; F23-A72 WeakPolarHBondContact O-CA 3.48Å; F23-A72 VanDerWaalsContact O-CB 3.25Å; F23-A72 WeakPolarHBondContact O-CB 3.42Å; F23-F78 HydrophobicContact CD1-CB 3.82Å; F23-F78 HydrophobicContact CE1-CB 3.42Å; F23-F78 VanDerWaalsContact CE1-CB 3.42Å; F23-F78 HydrophobicContact CE1-CD2 4.42Å; F23-F78 HydrophobicContact CE1-CG 4.35Å; F23-F78 HydrophobicContact CZ-CB 4.25Å; F23-L80 HydrophobicContact CD1-CB 4.02Å; F23-L80 HydrophobicContact CE1-CB 4.05Å; F23-L80 HydrophobicContact CE1-CD1 4.33Å; F23-L80 HydrophobicContact CZ-CD1 4.42Å; F23-A89 HydrophobicContact CE1-CB 4.32Å; F23-A89 HydrophobicContact CZ-CB 4.21Å; F23-M101 HydrophobicContact CZ-CG 4.14Å; F23-E104 HydrophobicContact CD2-CB 3.65Å; F23-E104 VanDerWaalsContact CD2-OE2 3.3Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.36Å; F23-E104 HydrophobicContact CE2-CB 3.61Å; F23-E104 PolarHBondContact N-OE2 2.9Å; F23-E104 VanDerWaalsContact N-OE2 3.07Å; F23-V105 HydrophobicContact CE2-CG2 3.59Å; F23-V105 HydrophobicContact CZ-CG2 3.55Å
24G96.9Very high97.3Very high57 Ų5772.8 Ų72.859%0.58838%0.376SS*.THydrogen-bonded Turntrans72.715.7170.500000116.4F20F20-G24 PolarHBondContact O-N 3.05Å
25F97.5Very high97.4Very high9 Ų969.7 Ų69.74%0.03936%0.36CS..EExtended strand (participates in β ladder)trans-134.7-179.4177.558.9-108.8000112.5F20 F23 F30 F32 I71 L80 L108F20-F25 WeakPolarHBondContact CA-O 3.48Å; F20-F25 HydrophobicContact CB-CD2 3.93Å; F20-F25 HydrophobicContact CB-CE2 3.83Å; F20-F25 HydrophobicContact CB-CZ 4.43Å; F20-F25 WeakPolarHBondContact CB-O 3.48Å; F20-F25 AromaticContact CD1-CE2 3.84Å; F20-F25 HydrophobicContact CD1-CE2 3.84Å; F20-F25 HydrophobicContact CD1-CZ 4.38Å; F20-F25 HydrophobicContact CD2-CD2 4.12Å; F20-F25 HydrophobicContact CD2-CE2 4.01Å; F20-F25 HydrophobicContact CE1-CE2 4.44Å; 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 HydrophobicContact CG-CZ 4.44Å; F20-F25 PolarHBondContact N-O 2.92Å; F23-F25 VanDerWaalsContact C-N 3.34Å; F23-F25 HydrophobicContact CB-CD1 3.9Å; F23-F25 HydrophobicContact CB-CE1 3.39Å; F23-F25 HydrophobicContact CB-CZ 3.73Å; F23-F25 HydrophobicContact CD2-CZ 4.39Å; F23-F25 HydrophobicContact CG-CE1 4.18Å; F23-F25 HydrophobicContact CG-CZ 4.28Å; F23-F25 VanDerWaalsContact O-CD1 3.22Å; F23-F25 WeakPolarHBondContact O-CD1 3.31Å; F23-F25 PolarHBondContact O-N 3.4Å; F25-F30 HydrophobicContact CB-CE2 3.8Å; F25-F30 HydrophobicContact CB-CZ 4.22Å; F25-F30 AromaticContact CD1-CE2 3.87Å; F25-F30 HydrophobicContact CD1-CE2 3.87Å; F25-F30 HydrophobicContact CD1-CZ 4.43Å; F25-F30 HydrophobicContact CD2-CD2 4.4Å; F25-F30 AromaticContact CD2-CE2 3.91Å; F25-F30 HydrophobicContact CD2-CE2 3.91Å; F25-F30 HydrophobicContact CE1-CE2 4.4Å; F25-F30 HydrophobicContact CE2-CE2 4.47Å; F25-F30 AromaticContact CG-CE2 3.6Å; F25-F30 HydrophobicContact CG-CE2 3.6Å; F25-F30 HydrophobicContact CG-CZ 4.35Å; F25-F32 HydrophobicContact CD2-CZ 4.02Å; F25-F32 HydrophobicContact CE2-CE1 4.34Å; F25-F32 AromaticContact CE2-CZ 3.81Å; F25-F32 HydrophobicContact CE2-CZ 3.81Å; F25-I71 HydrophobicContact CD1-CG2 4.47Å; F25-I71 HydrophobicContact CE1-CG2 4.25Å; F25-L80 HydrophobicContact CE1-CD2 3.86Å; F25-L80 HydrophobicContact CZ-CD2 3.87Å; F25-L108 HydrophobicContact CE2-CD1 4.18Å; F25-L108 HydrophobicContact CZ-CD1 3.83Å
26T97.9Very high97.5Very high24 Ų2465.7 Ų65.715%0.14734%0.339CS..EExtended strand (participates in β ladder)trans-136.4169.9-178.975.90000111.6E17 D18 V19 K28 S29 F32E17-T26 HydrophobicContact CG-CG2 4.45Å; E17-T26 WeakPolarHBondContact OE1-CB 3.12Å; E17-T26 WeakPolarHBondContact OE1-CG2 3.42Å; E17-T26 PolarHBondContact OE1-OG1 2.95Å; D18-T26 CarbonylContact O-C 3.55Å; D18-T26 VanDerWaalsContact O-CA 3.24Å; D18-T26 WeakPolarHBondContact O-CA 3.41Å; D18-T26 WeakPolarHBondContact O-CB 3.37Å; V19-T26 HydrophobicContact CB-CG2 4.34Å; V19-T26 HydrophobicContact CG1-CG2 4.29Å; V19-T26 HydrophobicContact CG2-CG2 3.92Å; T26-K28 PolarHBondContact O-N 3.47Å; T26-K28 VanDerWaalsContact O-N 3.12Å; T26-K28 PolarHBondContact OG1-N 2.92Å; T26-S29 PolarHBondContact N-OG 2.81Å; T26-S29 VanDerWaalsContact O-CB 3.27Å; T26-S29 WeakPolarHBondContact O-CB 3.48Å; T26-S29 PolarHBondContact O-N 2.99Å; T26-S29 PolarHBondContact O-OG 3.39Å; T26-S29 PolarHBondContact OG1-N 3.47Å; T26-S29 PolarHBondContact OG1-OG 2.92Å; T26-F32 WeakPolarHBondContact O-CE2 3.24Å
27T97.6Very high97.7Very high34 Ų3459.8 Ų59.821%0.20932%0.316CS..THydrogen-bonded Turntrans-59.6-17.9172.249.80000114.4D18 F20 F32 Y111D18-T27 HydrophobicContact CB-CG2 3.89Å; D18-T27 PolarHBondContact N-OG1 2.92Å; D18-T27 VanDerWaalsContact N-OG1 3.09Å; D18-T27 PolarHBondContact O-N 3.3Å; F20-T27 HydrophobicContact CE2-CG2 4.06Å; T27-F32 HydrophobicContact CG2-CZ 4.45Å; T27-Y111 HydrophobicContact CG2-CD1 4.36Å; T27-Y111 HydrophobicContact CG2-CD2 3.65Å; T27-Y111 HydrophobicContact CG2-CE1 4.37Å; T27-Y111 HydrophobicContact CG2-CE2 3.67Å; T27-Y111 HydrophobicContact CG2-CG 4.02Å
28K97.5Very high97.7Very high135 Ų13559.2 Ų59.259%0.58732%0.315SS*.THydrogen-bonded Turntrans-90.8-9174.5-64.5-172.8-172.4144.80113.8E17 T26 F30E17-K28 HydrophobicContact CB-CD 4.42Å; E17-K28 HydrophobicContact CB-CG 4.48Å; E17-K28 HydrophobicContact CG-CD 4.22Å; E17-K28 HydrophobicContact CG-CG 4.05Å; E17-K28 WeakPolarHBondContact OE2-CD 3.25Å; E17-K28 WeakPolarHBondContact OE2-CE 3.3Å; E17-K28 IonicContact OE2-NZ 3.87Å; E17-K28 PolarHBondContact OE2-NZ 3.32Å; T26-K28 PolarHBondContact O-N 3.47Å; T26-K28 VanDerWaalsContact O-N 3.12Å; T26-K28 PolarHBondContact OG1-N 2.92Å; K28-F30 VanDerWaalsContact C-N 3.31Å
29S97.1Very high97.7Very high57 Ų5759 Ų5940%0.39931%0.314SS..THydrogen-bonded Turntrans-71.1-29.6-178.5-57.80000112.3T26T26-S29 PolarHBondContact N-OG 2.81Å; T26-S29 VanDerWaalsContact O-CB 3.27Å; T26-S29 WeakPolarHBondContact O-CB 3.48Å; T26-S29 PolarHBondContact O-N 2.99Å; T26-S29 PolarHBondContact O-OG 3.39Å; T26-S29 PolarHBondContact OG1-N 3.47Å; T26-S29 PolarHBondContact OG1-OG 2.92Å
30F95Very high97.8Very high62 Ų6259.9 Ų59.927%0.27231%0.312SS..SBendtrans-145.1159.8-176.4-41.8-65.3000110.6F25 K28 F32 K35 F36 I71F25-F30 HydrophobicContact CB-CE2 3.8Å; F25-F30 HydrophobicContact CB-CZ 4.22Å; F25-F30 AromaticContact CD1-CE2 3.87Å; F25-F30 HydrophobicContact CD1-CE2 3.87Å; F25-F30 HydrophobicContact CD1-CZ 4.43Å; F25-F30 HydrophobicContact CD2-CD2 4.4Å; F25-F30 AromaticContact CD2-CE2 3.91Å; F25-F30 HydrophobicContact CD2-CE2 3.91Å; F25-F30 HydrophobicContact CE1-CE2 4.4Å; F25-F30 HydrophobicContact CE2-CE2 4.47Å; F25-F30 AromaticContact CG-CE2 3.6Å; F25-F30 HydrophobicContact CG-CE2 3.6Å; F25-F30 HydrophobicContact CG-CZ 4.35Å; K28-F30 VanDerWaalsContact C-N 3.31Å; F30-F32 HydrophobicContact CB-CD2 4.22Å; F30-F32 HydrophobicContact CB-CE2 4.3Å; F30-F32 HydrophobicContact CD2-CE2 4.01Å; F30-F32 WeakPolarHBondContact O-CD2 3.47Å; F30-F32 PolarHBondContact O-N 2.96Å; F30-K35 HydrophobicContact CB-CD 3.88Å; F30-K35 HydrophobicContact CD1-CD 3.97Å; F30-K35 HydrophobicContact CD2-CD 4.28Å; F30-K35 HydrophobicContact CG-CD 3.77Å; F30-F36 HydrophobicContact CD2-CE2 4.29Å; F30-I71 HydrophobicContact CE2-CG2 3.94Å; F30-I71 HydrophobicContact CZ-CG2 3.82Å
31D97.5Very high97.8Very high95 Ų9560.5 Ų60.551%0.50831%0.314SS..  trans-75.5107.4154.8-173.9-35.4000108.4K33 E34 K35D31-K33 VanDerWaalsContact C-N 3.33Å; D31-K33 PolarHBondContact O-N 2.8Å; D31-K33 WeakPolarHBondContact OD1-CB 3.32Å; D31-K33 PolarHBondContact OD1-N 2.72Å; D31-E34 HydrophobicContact CB-CB 3.91Å; D31-E34 PolarHBondContact OD1-N 3.09Å; D31-K35 WeakPolarHBondContact O-CB 3.3Å; D31-K35 PolarHBondContact O-N 3.16Å
32F97.9Very high97.9Very high11 Ų1154 Ų545%0.04828%0.284CS..Hα-helixtrans-67.5-34.2-176.2-84.5-130.1000112.3F20 F25 T26 T27 F30 F36 G37 L108 Y111 A112F20-F32 HydrophobicContact CD2-CZ 4.47Å; F20-F32 HydrophobicContact CE1-CE1 4.41Å; F20-F32 HydrophobicContact CE2-CE1 4.01Å; F20-F32 HydrophobicContact CE2-CZ 4.01Å; F20-F32 AromaticContact CZ-CE1 3.81Å; F20-F32 HydrophobicContact CZ-CE1 3.81Å; F20-F32 HydrophobicContact CZ-CZ 4.27Å; F25-F32 HydrophobicContact CD2-CZ 4.02Å; F25-F32 HydrophobicContact CE2-CE1 4.34Å; F25-F32 AromaticContact CE2-CZ 3.81Å; F25-F32 HydrophobicContact CE2-CZ 3.81Å; T26-F32 WeakPolarHBondContact O-CE2 3.24Å; T27-F32 HydrophobicContact CG2-CZ 4.45Å; F30-F32 HydrophobicContact CB-CD2 4.22Å; F30-F32 HydrophobicContact CB-CE2 4.3Å; F30-F32 HydrophobicContact CD2-CE2 4.01Å; F30-F32 WeakPolarHBondContact O-CD2 3.47Å; F30-F32 PolarHBondContact O-N 2.96Å; F32-F36 HydrophobicContact CB-CD2 4.45Å; F32-F36 HydrophobicContact CD1-CD2 4.29Å; F32-F36 HydrophobicContact CG-CD2 4.28Å; F32-F36 WeakPolarHBondContact O-CA 3.34Å; F32-F36 WeakPolarHBondContact O-CB 3.26Å; F32-F36 PolarHBondContact O-N 2.77Å; F32-G37 PolarHBondContact O-N 2.74Å; F32-L108 HydrophobicContact CD1-CB 4.44Å; F32-L108 HydrophobicContact CD1-CG 3.99Å; F32-L108 HydrophobicContact CE1-CB 4.08Å; F32-L108 HydrophobicContact CE1-CD1 4.33Å; F32-L108 HydrophobicContact CE1-CG 3.84Å; F32-Y111 HydrophobicContact CE1-CD2 4.48Å; F32-A112 HydrophobicContact CB-CB 4.36Å; F32-A112 WeakPolarHBondContact O-CB 3.38Å
33K97.8Very high97.9Very high149 Ų14951.5 Ų51.565%0.64827%0.273SS*.Hα-helixtrans-70.1-44.5-179.9-69-179.1-179.8173.90110.2D31 G37D31-K33 VanDerWaalsContact C-N 3.33Å; D31-K33 PolarHBondContact O-N 2.8Å; D31-K33 WeakPolarHBondContact OD1-CB 3.32Å; D31-K33 PolarHBondContact OD1-N 2.72Å; K33-G37 VanDerWaalsContact O-CA 3.25Å; K33-G37 WeakPolarHBondContact O-CA 3.36Å; K33-G37 PolarHBondContact O-N 3.15Å
34E98.2Very high97.9Very high166 Ų16651.5 Ų51.578%0.77627%0.273SS*.Hα-helixtrans-64.5-47.6176.1-171.8-173.1172.400111.3D31D31-E34 HydrophobicContact CB-CB 3.91Å; D31-E34 PolarHBondContact OD1-N 3.09Å
35K97.7Very high98Very high70 Ų7048.9 Ų48.930%0.30425%0.245SC..Hα-helixtrans-77.7-33.3-171.2-166174.7-178.181.40113.7F30 D31 K82F30-K35 HydrophobicContact CB-CD 3.88Å; F30-K35 HydrophobicContact CD1-CD 3.97Å; F30-K35 HydrophobicContact CD2-CD 4.28Å; F30-K35 HydrophobicContact CG-CD 3.77Å; D31-K35 WeakPolarHBondContact O-CB 3.3Å; D31-K35 PolarHBondContact O-N 3.16Å; K35-K82 WeakPolarHBondContact O-CD 3.37Å; K35-K82 WeakPolarHBondContact O-CE 3.09Å; K35-K82 PolarHBondContact O-NZ 3.09Å
36F98.4Very high98Very high0 Ų049.3 Ų49.30%025%0.252CS..Hα-helixtrans-128.3-7-170.5-54.1-67.8000114.7F30 F32 D38 V39 I71 K82 L87 L108 A112 C114F30-F36 HydrophobicContact CD2-CE2 4.29Å; F32-F36 HydrophobicContact CB-CD2 4.45Å; F32-F36 HydrophobicContact CD1-CD2 4.29Å; F32-F36 HydrophobicContact CG-CD2 4.28Å; F32-F36 WeakPolarHBondContact O-CA 3.34Å; F32-F36 WeakPolarHBondContact O-CB 3.26Å; F32-F36 PolarHBondContact O-N 2.77Å; F36-D38 PolarHBondContact O-N 3.02Å; F36-V39 HydrophobicContact CB-CG2 4.25Å; F36-V39 WeakPolarHBondContact O-CB 3.33Å; F36-V39 WeakPolarHBondContact O-CG2 3.37Å; F36-V39 PolarHBondContact O-N 2.57Å; F36-I71 HydrophobicContact CE1-CD1 3.94Å; F36-I71 HydrophobicContact CZ-CD1 4.27Å; F36-I71 HydrophobicContact CZ-CG2 4.3Å; F36-K82 HydrophobicContact CD1-CD 3.98Å; F36-K82 HydrophobicContact CE1-CD 4.29Å; F36-L87 HydrophobicContact CD1-CD1 4.39Å; F36-L87 HydrophobicContact CD1-CD2 3.92Å; F36-L87 HydrophobicContact CE1-CD2 3.92Å; F36-L108 HydrophobicContact CB-CD2 3.87Å; F36-L108 HydrophobicContact CD1-CD2 4.17Å; F36-L108 HydrophobicContact CD2-CD1 4.13Å; F36-L108 HydrophobicContact CD2-CD2 3.92Å; F36-L108 HydrophobicContact CD2-CG 4.02Å; F36-L108 HydrophobicContact CE1-CD1 4.39Å; F36-L108 HydrophobicContact CE2-CD1 3.89Å; F36-L108 HydrophobicContact CE2-CD2 4.49Å; F36-L108 HydrophobicContact CE2-CG 4.25Å; F36-L108 HydrophobicContact CG-CD1 4.49Å; F36-L108 HydrophobicContact CG-CD2 3.73Å; F36-L108 HydrophobicContact CG-CG 4.34Å; F36-L108 HydrophobicContact CZ-CD1 4.02Å; F36-A112 HydrophobicContact CB-CB 3.73Å; F36-C114 PolarHBondContact O-SG 3.38Å
37G98.3Very high98Very high35 Ų3550.2 Ų50.236%0.36126%0.26SS..THydrogen-bonded Turntrans-62.4-15.6-174.100000114.8F32 K33 A112F32-G37 PolarHBondContact O-N 2.74Å; K33-G37 VanDerWaalsContact O-CA 3.25Å; K33-G37 WeakPolarHBondContact O-CA 3.36Å; K33-G37 PolarHBondContact O-N 3.15Å; G37-A112 WeakPolarHBondContact CA-O 3.48Å
38D98Very high97.9Very high57 Ų5751.2 Ų51.231%0.30527%0.268SS..THydrogen-bonded Turntrans-93.3-0.1177.972.8-39.2000114F36 K40 K82 H85F36-D38 PolarHBondContact O-N 3.02Å; D38-K40 PolarHBondContact O-N 3.1Å; D38-K82 VanDerWaalsContact CG-NZ 3.31Å; D38-K82 VanDerWaalsContact OD1-CE 3.24Å; D38-K82 WeakPolarHBondContact OD1-CE 3.48Å; D38-K82 IonicContact OD1-NZ 3.72Å; D38-K82 PolarHBondContact OD1-NZ 3.33Å; D38-K82 IonicContact OD2-NZ 2.81Å; D38-K82 PolarHBondContact OD2-NZ 3.01Å; D38-H85 WeakPolarHBondContact O-CB 3.31Å; D38-H85 PolarHBondContact O-ND1 2.97Å; D38-H85 VanDerWaalsContact O-ND1 3.07Å; D38-H85 IonicContact OD2-CE1 3.28Å; D38-H85 PolarHBondContact OD2-CE1 3.17Å; D38-H85 IonicContact OD2-ND1 3.47Å; D38-H85 PolarHBondContact OD2-ND1 3.4Å
39V98.7Very high97.9Very high7 Ų746.4 Ų46.44%0.04226%0.256CS..  trans-66.6127.9-178.7172.70000110.9F36 F41 V42 L87 L109 V117F36-V39 HydrophobicContact CB-CG2 4.25Å; F36-V39 WeakPolarHBondContact O-CB 3.33Å; F36-V39 WeakPolarHBondContact O-CG2 3.37Å; F36-V39 PolarHBondContact O-N 2.57Å; V39-F41 WeakPolarHBondContact CG1-O 3.07Å; V39-V42 HydrophobicContact CG1-CG2 4.38Å; V39-L87 HydrophobicContact CG1-CB 4.42Å; V39-L87 HydrophobicContact CG1-CD1 4.01Å; V39-L87 HydrophobicContact CG1-CG 4.01Å; V39-L87 HydrophobicContact CG2-CD1 3.95Å; V39-L87 HydrophobicContact CG2-CD2 4.5Å; V39-L87 HydrophobicContact CG2-CG 3.75Å; V39-L109 HydrophobicContact CB-CD2 4.19Å; V39-L109 HydrophobicContact CG1-CD2 3.9Å; V39-V117 HydrophobicContact CG1-CG1 4.27Å
40K98.5Very high97.8Very high101 Ų10147 Ų4744%0.43925%0.25SS..  trans-116.4-23.2176.9-66.3178.6-177.6171.20113D38 H85 L118D38-K40 PolarHBondContact O-N 3.1Å; K40-H85 HydrophobicContact CB-CB 4.37Å; K40-H85 HydrophobicContact CG-CB 4.41Å; K40-H85 PolarHBondContact N-O 3.25Å; K40-L118 PolarHBondContact O-N 3.26Å
41F98.9Very high98Very high13 Ų1344.2 Ų44.26%0.05724%0.238CC..EExtended strand (participates in β ladder)trans-131.5142-177.5-54-82.7000111.1V39 H85 I86 L87 L118 I120 Y286 L287 N290V39-F41 WeakPolarHBondContact CG1-O 3.07Å; F41-H85 PolarHBondContact N-O 3.16Å; F41-H85 VanDerWaalsContact N-O 3.16Å; F41-I86 HydrophobicContact CB-CB 4.47Å; F41-I86 HydrophobicContact CB-CG1 4.17Å; F41-I86 HydrophobicContact CB-CG2 4.14Å; F41-I86 HydrophobicContact CD2-CG1 4.2Å; F41-I86 WeakPolarHBondContact O-CA 3.27Å; F41-L87 PolarHBondContact O-N 3.36Å; F41-L118 CarbonylContact C-O 3.6Å; F41-L118 WeakPolarHBondContact CA-O 3.32Å; F41-L118 HydrophobicContact CD1-CB 4.01Å; F41-L118 HydrophobicContact CD1-CD2 4.01Å; F41-L118 HydrophobicContact CD1-CG 4.39Å; F41-L118 HydrophobicContact CE1-CB 4.36Å; F41-L118 HydrophobicContact CE1-CD2 3.98Å; F41-I120 HydrophobicContact CD1-CD1 4.44Å; F41-Y286 HydrophobicContact CE1-CE1 4.12Å; F41-L287 HydrophobicContact CB-CD2 3.76Å; F41-L287 HydrophobicContact CD1-CD2 3.59Å; F41-L287 HydrophobicContact CD2-CD2 3.84Å; F41-L287 HydrophobicContact CE1-CD2 4.14Å; F41-L287 HydrophobicContact CE2-CD2 4.36Å; F41-L287 HydrophobicContact CG-CD2 3.42Å; F41-L287 VanDerWaalsContact CG-CD2 3.42Å; F41-L287 HydrophobicContact CZ-CD2 4.49Å; F41-N290 HydrophobicContact CE1-CB 4.48Å; F41-N290 WeakPolarHBondContact CE2-O 3.3Å; F41-N290 HydrophobicContact CZ-CB 3.82Å; F41-N290 WeakPolarHBondContact CZ-O 3.39Å
42V98.9Very high98Very high0 Ų042.1 Ų42.10%023%0.225CC..EExtended strand (participates in β ladder)trans-122.8113.7166.9-173.60000108.4V39 V44 L87 V105 L109 V117 L118 F119 I120V39-V42 HydrophobicContact CG1-CG2 4.38Å; V42-V44 HydrophobicContact CG1-CG1 3.68Å; V42-L87 CarbonylContact C-O 3.48Å; V42-L87 WeakPolarHBondContact CA-O 3.34Å; V42-L87 HydrophobicContact CG1-CB 4.29Å; V42-L87 HydrophobicContact CG2-CB 4.25Å; V42-V105 HydrophobicContact CG1-CG1 4.1Å; V42-V105 HydrophobicContact CG2-CG1 4.2Å; V42-L109 HydrophobicContact CG2-CD1 4.15Å; V42-V117 HydrophobicContact CG2-CG1 3.67Å; V42-L118 PolarHBondContact N-O 3.44Å; V42-F119 HydrophobicContact CB-CD1 3.8Å; V42-F119 HydrophobicContact CB-CD2 4.25Å; V42-F119 HydrophobicContact CB-CE1 3.84Å; V42-F119 HydrophobicContact CB-CE2 4.27Å; V42-F119 HydrophobicContact CB-CG 4.02Å; V42-F119 HydrophobicContact CB-CZ 4.08Å; V42-F119 HydrophobicContact CG1-CD1 3.94Å; V42-F119 HydrophobicContact CG1-CE1 3.77Å; V42-F119 HydrophobicContact CG1-CZ 4.33Å; V42-F119 HydrophobicContact CG2-CD1 4.39Å; V42-F119 HydrophobicContact CG2-CD2 4.27Å; V42-F119 HydrophobicContact CG2-CE1 4.03Å; V42-F119 HydrophobicContact CG2-CE2 3.88Å; V42-F119 HydrophobicContact CG2-CZ 3.77Å; V42-F119 CarbonylContact O-C 3.55Å; V42-F119 WeakPolarHBondContact O-CA 3.43Å; V42-I120 PolarHBondContact O-N 3.1Å
43C98.9Very high97.9Very high0 Ų046.7 Ų46.70%025%0.25CC..EExtended strand (participates in β ladder)trans-94.2127.5173.3-67.70000109.8I51 F54 I86 L87 F88 A89 I120 L122C43-I51 HydrophobicContact CB-CD1 4.29Å; C43-I51 WeakPolarHBondContact O-CD1 3.47Å; C43-F54 HydrophobicContact CB-CD1 4.25Å; C43-F54 HydrophobicContact CB-CE1 3.98Å; C43-I86 HydrophobicContact CB-CG2 4.44Å; C43-L87 PolarHBondContact N-O 3.18Å; C43-F88 HydrophobicContact CB-CD1 3.82Å; C43-F88 HydrophobicContact CB-CE1 4.08Å; C43-F88 VanDerWaalsContact O-CA 3.31Å; C43-F88 WeakPolarHBondContact O-CA 3.36Å; C43-A89 PolarHBondContact O-N 3.24Å; C43-I120 WeakPolarHBondContact CA-O 3.37Å; C43-L122 HydrophobicContact CB-CD1 3.83Å
44V98.8Very high97.9Very high0 Ų040.4 Ų40.40%022%0.223CC..EExtended strand (participates in β ladder)trans-131.3145.3-178.4-53.20000112.4V42 A89 M101 I120 R121 L122 I238V42-V44 HydrophobicContact CG1-CG1 3.68Å; V44-A89 WeakPolarHBondContact CA-O 3.38Å; V44-A89 HydrophobicContact CG1-CB 4.38Å; V44-M101 HydrophobicContact CB-CE 3.96Å; V44-M101 HydrophobicContact CG1-CE 3.73Å; V44-M101 HydrophobicContact CG1-SD 4.08Å; V44-M101 HydrophobicContact CG2-CE 4.13Å; V44-I120 PolarHBondContact N-O 3.47Å; V44-R121 HydrophobicContact CG2-CB 4.09Å; V44-R121 HydrophobicContact CG2-CG 4.37Å; V44-R121 CarbonylContact O-C 3.5Å; V44-R121 WeakPolarHBondContact O-CA 3.39Å; V44-L122 PolarHBondContact O-N 3.3Å; V44-I238 HydrophobicContact CG2-CD1 4.26Å
45C98.1Very high97.9Very high1 Ų132.5 Ų32.51%0.00719%0.186CC..EExtended strand (participates in β ladder)trans-153.3167.5171.487.40000111.7S47 I51 A89 D90 H91 L122C45-S47 VanDerWaalsContact C-N 3.33Å; C45-S47 PolarHBondContact O-N 2.64Å; C45-S47 PolarHBondContact SG-O 3.01Å; C45-I51 HydrophobicContact CB-CD1 4.25Å; C45-I51 PolarHBondContact SG-N 2.95Å; C45-A89 PolarHBondContact N-O 2.83Å; C45-D90 CarbonylContact O-C 3.47Å; C45-D90 WeakPolarHBondContact O-CA 3.19Å; C45-D90 WeakPolarHBondContact O-CB 3.21Å; C45-H91 VanDerWaalsContact C-CD2 3.48Å; C45-H91 WeakPolarHBondContact CA-NE2 3.22Å; C45-H91 PolarHBondContact O-N 3.49Å; C45-L122 WeakPolarHBondContact CA-O 3.46Å; C45-L122 HydrophobicContact CB-CB 4.32Å; C45-L122 WeakPolarHBondContact CB-O 3.31Å
46G98.2Very high97.9Very high18 Ų1830.9 Ų30.919%0.18618%0.18CC..SBendtrans-71.5-19.8-174.500000116.6H91 G92G46-H91 WeakPolarHBondContact CA-CE1 3.15Å; G46-H91 PolarHBondContact N-CE1 2.93Å; G46-H91 VanDerWaalsContact N-CE1 3.25Å; G46-H91 PolarHBondContact N-NE2 3.32Å; G46-G92 WeakPolarHBondContact CA-O 3.36Å; G46-G92 WeakPolarHBondContact O-CA 3.49Å; G46-G92 PolarHBondContact O-N 3.36Å
47S97.5Very high97.8Very high44 Ų4433.4 Ų33.431%0.30820%0.197SC..  trans-111.5125.1-175167.90000110.9C45 G49 R50 I51C45-S47 VanDerWaalsContact C-N 3.33Å; C45-S47 PolarHBondContact O-N 2.64Å; C45-S47 PolarHBondContact SG-O 3.01Å; S47-G49 VanDerWaalsContact C-N 3.3Å; S47-G49 PolarHBondContact O-N 2.96Å; S47-G49 PolarHBondContact OG-N 3.19Å; S47-R50 PolarHBondContact O-N 3.14Å; S47-R50 VanDerWaalsContact O-N 3.16Å; S47-R50 PolarHBondContact OG-N 2.98Å; S47-I51 PolarHBondContact O-N 3.48Å
48S97.3Very high97.7Very high55 Ų5531.9 Ų31.939%0.38518%0.181SC..Hα-helixtrans-53.7-44.2171.557.90000112.6R50 I51 H52S48-R50 PolarHBondContact O-N 3.29Å; S48-I51 WeakPolarHBondContact O-CG2 3.21Å; S48-H52 WeakPolarHBondContact O-CB 3.43Å; S48-H52 PolarHBondContact O-N 3.12Å
49G96.2Very high97.7Very high33 Ų3329.2 Ų29.234%0.3417%0.167SC..Hα-helixtrans-62.1-43.417600000113.1S47 H52 N53S47-G49 VanDerWaalsContact C-N 3.3Å; S47-G49 PolarHBondContact O-N 2.96Å; S47-G49 PolarHBondContact OG-N 3.19Å; G49-H52 PolarHBondContact O-N 3.41Å; G49-N53 WeakPolarHBondContact O-CB 3.2Å; G49-N53 VanDerWaalsContact O-CG 3.24Å; G49-N53 PolarHBondContact O-N 2.82Å; G49-N53 PolarHBondContact O-ND2 2.93Å
50R96.2Very high97.5Very high71 Ų7135.2 Ų35.227%0.26819%0.192SC..Hα-helixtrans-67.9-42.8179.8-179.5169.446.4-115.1-2.7112S47 S48 N53 F54S47-R50 PolarHBondContact O-N 3.14Å; S47-R50 VanDerWaalsContact O-N 3.16Å; S47-R50 PolarHBondContact OG-N 2.98Å; S48-R50 PolarHBondContact O-N 3.29Å; R50-N53 PolarHBondContact O-N 3.17Å; R50-F54 PolarHBondContact O-N 2.93Å; R50-F54 VanDerWaalsContact O-N 3.11Å
51I98Very high97.3Very high2 Ų234.2 Ų34.21%0.0119%0.191CC..Hα-helixtrans-69.6-36.7178.5-156.971.7000111.6C43 C45 S47 S48 F54 A55 V79 Y81 F88 D90 L122C43-I51 HydrophobicContact CB-CD1 4.29Å; C43-I51 WeakPolarHBondContact O-CD1 3.47Å; C45-I51 HydrophobicContact CB-CD1 4.25Å; C45-I51 PolarHBondContact SG-N 2.95Å; S47-I51 PolarHBondContact O-N 3.48Å; S48-I51 WeakPolarHBondContact O-CG2 3.21Å; I51-F54 HydrophobicContact CD1-CD1 4.41Å; I51-F54 PolarHBondContact O-N 3.07Å; I51-A55 PolarHBondContact O-N 2.99Å; I51-V79 HydrophobicContact CG2-CG2 3.63Å; I51-Y81 HydrophobicContact CG2-CE2 4.46Å; I51-F88 HydrophobicContact CD1-CD1 4.33Å; I51-F88 HydrophobicContact CG1-CB 3.84Å; I51-F88 HydrophobicContact CG1-CD1 4.37Å; I51-D90 HydrophobicContact CG2-CB 3.99Å; I51-L122 HydrophobicContact CD1-CD1 4.38Å
52H97.7Very high97Very high51 Ų5133.7 Ų33.724%0.23619%0.189CC..Hα-helixtrans-63.3-44.7175.3-177.8-153.1000111.6S48 G49 F54 A55 I56 Y81S48-H52 WeakPolarHBondContact O-CB 3.43Å; S48-H52 PolarHBondContact O-N 3.12Å; G49-H52 PolarHBondContact O-N 3.41Å; H52-F54 PolarHBondContact O-N 3.01Å; H52-A55 WeakPolarHBondContact O-CB 3.48Å; H52-A55 PolarHBondContact O-N 3.01Å; H52-I56 WeakPolarHBondContact O-CG1 3.36Å; H52-I56 PolarHBondContact O-N 3.23Å; H52-Y81 HydrophobicContact CB-CE2 3.72Å; H52-Y81 AromaticContact CD2-CE1 3.54Å; H52-Y81 AromaticContact CD2-CE2 3.95Å; H52-Y81 AromaticContact CD2-CZ 3.42Å; H52-Y81 VanDerWaalsContact CD2-CZ 3.42Å; H52-Y81 AromaticContact CG-CZ 3.61Å; H52-Y81 AromaticContact NE2-CE1 3.91Å
53N96.9Very high96.8Very high107 Ų10736.6 Ų36.657%0.57222%0.219SC*.Hα-helixtrans-59.6-37.7174.7-74.5-20000112G49 R50 I56 S57G49-N53 WeakPolarHBondContact O-CB 3.2Å; G49-N53 VanDerWaalsContact O-CG 3.24Å; G49-N53 PolarHBondContact O-N 2.82Å; G49-N53 PolarHBondContact O-ND2 2.93Å; R50-N53 PolarHBondContact O-N 3.17Å; N53-I56 PolarHBondContact O-N 3.37Å; N53-S57 PolarHBondContact O-N 2.61Å
54F97.6Very high96.6Very high18 Ų1839.4 Ų39.48%0.07923%0.234CC..Hα-helixtrans-68.2-43175.6-172.4-140.3000112C43 R50 I51 H52 I56 S57 M58 F88 L122 G280 V283 L287C43-F54 HydrophobicContact CB-CD1 4.25Å; C43-F54 HydrophobicContact CB-CE1 3.98Å; R50-F54 PolarHBondContact O-N 2.93Å; R50-F54 VanDerWaalsContact O-N 3.11Å; I51-F54 HydrophobicContact CD1-CD1 4.41Å; I51-F54 PolarHBondContact O-N 3.07Å; H52-F54 PolarHBondContact O-N 3.01Å; F54-I56 VanDerWaalsContact C-N 3.34Å; F54-I56 PolarHBondContact O-N 3.45Å; F54-S57 WeakPolarHBondContact O-CB 3.37Å; F54-S57 PolarHBondContact O-N 3.36Å; F54-S57 VanDerWaalsContact O-N 3.13Å; F54-M58 HydrophobicContact CD2-CE 4.1Å; F54-M58 HydrophobicContact CD2-CG 4.35Å; F54-M58 HydrophobicContact CE2-CE 3.57Å; F54-M58 HydrophobicContact CE2-CG 4.04Å; F54-M58 HydrophobicContact CE2-SD 3.95Å; F54-M58 HydrophobicContact CZ-CE 4.42Å; F54-M58 HydrophobicContact CZ-CG 4.28Å; F54-M58 HydrophobicContact CZ-SD 4.24Å; F54-M58 WeakPolarHBondContact O-CG 3.05Å; F54-M58 PolarHBondContact O-N 3.08Å; F54-F88 AromaticContact CD1-CD1 3.98Å; F54-F88 HydrophobicContact CD1-CD1 3.98Å; F54-F88 AromaticContact CD1-CE1 3.72Å; F54-F88 HydrophobicContact CD1-CE1 3.72Å; F54-F88 AromaticContact CE1-CE1 3.96Å; F54-F88 HydrophobicContact CE1-CE1 3.96Å; F54-F88 HydrophobicContact CG-CE1 4.3Å; F54-L122 HydrophobicContact CD1-CD1 4.04Å; F54-L122 HydrophobicContact CD1-CD2 4.12Å; F54-L122 HydrophobicContact CE1-CD1 3.89Å; F54-L122 HydrophobicContact CE1-CD2 3.8Å; F54-L122 HydrophobicContact CZ-CD2 4.21Å; F54-G280 WeakPolarHBondContact CE2-O 3.48Å; F54-V283 HydrophobicContact CE1-CG1 4.17Å; F54-V283 HydrophobicContact CZ-CB 4.15Å; F54-V283 HydrophobicContact CZ-CG1 3.87Å; F54-L287 HydrophobicContact CE1-CD1 4.33Å; F54-L287 HydrophobicContact CZ-CD1 3.97Å
55A98.1Very high96.3Very high0 Ų043.8 Ų43.80%027%0.27CS..Hα-helixtrans-58.6-44.2173.600000111.7I51 H52 S57 M58 A59 V68 Y81 F88I51-A55 PolarHBondContact O-N 2.99Å; H52-A55 WeakPolarHBondContact O-CB 3.48Å; H52-A55 PolarHBondContact O-N 3.01Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 3.47Å; A55-M58 PolarHBondContact O-N 3.01Å; A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 2.89Å; A55-V68 HydrophobicContact CB-CG1 4.5Å; A55-Y81 HydrophobicContact CB-CD2 4.37Å; A55-Y81 HydrophobicContact CB-CG 4.28Å; A55-F88 HydrophobicContact CB-CB 4.16Å; A55-F88 HydrophobicContact CB-CD1 3.97Å; A55-F88 HydrophobicContact CB-CD2 3.92Å; A55-F88 HydrophobicContact CB-CE1 4.34Å; A55-F88 HydrophobicContact CB-CE2 4.31Å; A55-F88 HydrophobicContact CB-CG 3.75Å; A55-F88 HydrophobicContact CB-CZ 4.5Å
56I97.5Very high96.1Very high36 Ų3647.8 Ų47.819%0.18529%0.291CS..Hα-helixtrans-59.2-43.9174.3-70.1167.2000110.9H52 N53 F54 M58 A59 K60 L66 V68H52-I56 WeakPolarHBondContact O-CG1 3.36Å; H52-I56 PolarHBondContact O-N 3.23Å; N53-I56 PolarHBondContact O-N 3.37Å; F54-I56 VanDerWaalsContact C-N 3.34Å; F54-I56 PolarHBondContact O-N 3.45Å; I56-M58 VanDerWaalsContact C-N 3.31Å; I56-M58 PolarHBondContact O-N 3.16Å; I56-A59 PolarHBondContact O-N 3.39Å; I56-K60 HydrophobicContact CG2-CD 4.18Å; I56-K60 HydrophobicContact CG2-CG 4.48Å; I56-K60 WeakPolarHBondContact O-CG 3.34Å; I56-K60 PolarHBondContact O-N 2.73Å; I56-L66 HydrophobicContact CG1-CD2 4.38Å; I56-L66 HydrophobicContact CG2-CD1 4.13Å; I56-L66 HydrophobicContact CG2-CD2 4.12Å; I56-V68 HydrophobicContact CG1-CG2 4.05Å
57S96Very high96Very high52 Ų5252.6 Ų52.636%0.36432%0.319SS..Hα-helixtrans-60.9-41.9177.7-174.80000111.6N53 F54 A55 L61N53-S57 PolarHBondContact O-N 2.61Å; F54-S57 WeakPolarHBondContact O-CB 3.37Å; F54-S57 PolarHBondContact O-N 3.36Å; F54-S57 VanDerWaalsContact O-N 3.13Å; A55-S57 VanDerWaalsContact C-N 3.32Å; A55-S57 PolarHBondContact O-N 3.47Å; S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 3.45Å; S57-L61 VanDerWaalsContact O-N 3.16Å
58M96.7Very high95.9Very high3 Ų351.2 Ų51.22%0.01531%0.308CS..Hα-helixtrans-70.1-39.6177.8-63.4-56.295.900111.8F54 A55 I56 K60 L61 A62 V83 F88 L287 I293F54-M58 HydrophobicContact CD2-CE 4.1Å; F54-M58 HydrophobicContact CD2-CG 4.35Å; F54-M58 HydrophobicContact CE2-CE 3.57Å; F54-M58 HydrophobicContact CE2-CG 4.04Å; F54-M58 HydrophobicContact CE2-SD 3.95Å; F54-M58 HydrophobicContact CZ-CE 4.42Å; F54-M58 HydrophobicContact CZ-CG 4.28Å; F54-M58 HydrophobicContact CZ-SD 4.24Å; F54-M58 WeakPolarHBondContact O-CG 3.05Å; F54-M58 PolarHBondContact O-N 3.08Å; A55-M58 PolarHBondContact O-N 3.01Å; I56-M58 VanDerWaalsContact C-N 3.31Å; I56-M58 PolarHBondContact O-N 3.16Å; M58-K60 VanDerWaalsContact C-N 3.34Å; M58-K60 PolarHBondContact O-N 2.75Å; M58-L61 HydrophobicContact CE-CD1 3.55Å; M58-L61 PolarHBondContact O-N 3.07Å; M58-L61 HydrophobicContact SD-CD1 4.24Å; M58-A62 WeakPolarHBondContact O-CB 3.45Å; M58-A62 PolarHBondContact O-N 2.74Å; M58-V83 HydrophobicContact CB-CG1 4.17Å; M58-F88 HydrophobicContact CB-CZ 3.89Å; M58-F88 HydrophobicContact CG-CE1 4.01Å; M58-F88 HydrophobicContact CG-CZ 3.75Å; M58-L287 HydrophobicContact SD-CD1 4.29Å; M58-I293 HydrophobicContact CB-CG2 4.4Å
59A96.8Very high95.8Very high1 Ų155.3 Ų55.31%0.00832%0.322CS..Hα-helixtrans-60.4-43175.900000111.8A55 I56 A62 G63 L64 L66 V68 V83A55-A59 WeakPolarHBondContact O-CB 3.36Å; A55-A59 PolarHBondContact O-N 2.89Å; I56-A59 PolarHBondContact O-N 3.39Å; A59-A62 CarbonylContact O-C 3.57Å; A59-A62 PolarHBondContact O-N 3.37Å; A59-G63 PolarHBondContact O-N 3.22Å; A59-G63 VanDerWaalsContact O-N 3.15Å; A59-L64 HydrophobicContact CB-CB 4.24Å; A59-L64 PolarHBondContact O-N 3.07Å; A59-L66 HydrophobicContact CB-CD2 4.09Å; A59-V68 HydrophobicContact CB-CG2 3.66Å; A59-V83 HydrophobicContact CB-CG1 4.37Å; A59-V83 HydrophobicContact CB-CG2 3.95Å
60K95.3Very high95.9Very high134 Ų13455.8 Ų55.858%0.58332%0.316SS*.Hα-helixtrans-60.7-44.3173.9-73.7176.3179.9-179.20112I56 M58 A62 G63 L66I56-K60 HydrophobicContact CG2-CD 4.18Å; I56-K60 HydrophobicContact CG2-CG 4.48Å; I56-K60 WeakPolarHBondContact O-CG 3.34Å; I56-K60 PolarHBondContact O-N 2.73Å; M58-K60 VanDerWaalsContact C-N 3.34Å; M58-K60 PolarHBondContact O-N 2.75Å; K60-A62 VanDerWaalsContact C-N 3.27Å; K60-A62 PolarHBondContact O-N 2.84Å; K60-G63 PolarHBondContact O-N 2.93Å; K60-L66 HydrophobicContact CG-CD1 4.13Å
61L92.9Very high96Very high80 Ų8053.4 Ų53.442%0.41931%0.309SS..Hα-helixtrans-65-31.3176.7-70.9177.4000112.8S57 M58 G63 I293S57-L61 WeakPolarHBondContact O-CG 3.44Å; S57-L61 PolarHBondContact O-N 3.45Å; S57-L61 VanDerWaalsContact O-N 3.16Å; M58-L61 HydrophobicContact CE-CD1 3.55Å; M58-L61 PolarHBondContact O-N 3.07Å; M58-L61 HydrophobicContact SD-CD1 4.24Å; L61-G63 VanDerWaalsContact C-N 3.3Å; L61-I293 HydrophobicContact CB-CD1 3.8Å
62A94Very high96Very high1 Ų153.6 Ų53.61%0.00831%0.31CS..THydrogen-bonded Turntrans-82.1-3.5177.400000114M58 A59 K60 L64 V83 D84 I293 R296M58-A62 WeakPolarHBondContact O-CB 3.45Å; M58-A62 PolarHBondContact O-N 2.74Å; A59-A62 CarbonylContact O-C 3.57Å; A59-A62 PolarHBondContact O-N 3.37Å; K60-A62 VanDerWaalsContact C-N 3.27Å; K60-A62 PolarHBondContact O-N 2.84Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 HydrophobicContact CB-CD1 4.34Å; A62-L64 HydrophobicContact CB-CG 4.06Å; A62-L64 PolarHBondContact O-N 3.04Å; A62-V83 HydrophobicContact CB-CG1 4.21Å; A62-D84 WeakPolarHBondContact CB-OD2 3.39Å; A62-I293 HydrophobicContact CB-CB 4.08Å; A62-I293 HydrophobicContact CB-CG2 4.15Å; A62-R296 PolarHBondContact O-NH1 2.92Å
63G94.4Very high95.7Very high61 Ų6152.8 Ų52.863%0.62932%0.316SS*.THydrogen-bonded Turntrans68.723.5-175.300000114A59 K60 L61A59-G63 PolarHBondContact O-N 3.22Å; A59-G63 VanDerWaalsContact O-N 3.15Å; K60-G63 PolarHBondContact O-N 2.93Å; L61-G63 VanDerWaalsContact C-N 3.3Å
64L94.2Very high95.5Very high59 Ų5952.8 Ų52.831%0.30932%0.324SS..  trans-84.4149.7178.7-66.7-178.6000112.1A59 A62 V83 R296A59-L64 HydrophobicContact CB-CB 4.24Å; A59-L64 PolarHBondContact O-N 3.07Å; A62-L64 VanDerWaalsContact C-N 3.28Å; A62-L64 HydrophobicContact CB-CD1 4.34Å; A62-L64 HydrophobicContact CB-CG 4.06Å; A62-L64 PolarHBondContact O-N 3.04Å; L64-V83 HydrophobicContact CD1-CG1 3.91Å; L64-R296 VanDerWaalsContact CD2-CZ 3.46Å
65A92.8Very high95.1Very high92 Ų9260.6 Ų60.676%0.7636%0.361SS*.  trans-66.3149.6174.400000111.6
66L94.9Very high95Very high85 Ų8561.7 Ų61.745%0.44537%0.37SS..SBendtrans-107.4153.3173.2-63.7178000109.7I56 A59 K60 V68I56-L66 HydrophobicContact CG1-CD2 4.38Å; I56-L66 HydrophobicContact CG2-CD1 4.13Å; I56-L66 HydrophobicContact CG2-CD2 4.12Å; A59-L66 HydrophobicContact CB-CD2 4.09Å; K60-L66 HydrophobicContact CG-CD1 4.13Å; L66-V68 HydrophobicContact CD2-CG2 3.74Å
67P95.2Very high95Very high119 Ų11969.2 Ų69.277%0.77340%0.396SS*.SBendcis-76.1155.93.932.3-36.1000113.6E69P67-E69 PolarHBondContact O-N 3.42Å
68V95.6Very high95.2Very high15 Ų1567.2 Ų67.29%0.09138%0.381CS..PPolyproline II helixtrans-74.3121.5167.8-169.40000108A55 I56 A59 L66 Y81 V83A55-V68 HydrophobicContact CB-CG1 4.5Å; I56-V68 HydrophobicContact CG1-CG2 4.05Å; A59-V68 HydrophobicContact CB-CG2 3.66Å; L66-V68 HydrophobicContact CD2-CG2 3.74Å; V68-Y81 HydrophobicContact CB-CD1 4.21Å; V68-Y81 HydrophobicContact CG1-CD1 3.81Å; V68-Y81 HydrophobicContact CG1-CG 4.19Å; V68-V83 HydrophobicContact CG1-CG2 4.24Å
69E95.8Very high95.2Very high142 Ų14268 Ų6866%0.66439%0.386SS*.PPolyproline II helixtrans-71128.6-176.2-173.4-173.3178.400111.7P67 I71 Y81P67-E69 PolarHBondContact O-N 3.42Å; E69-I71 PolarHBondContact O-N 3.27Å; E69-Y81 VanDerWaalsContact O-CD1 3.27Å; E69-Y81 WeakPolarHBondContact O-CD1 3.48Å
70N97.7Very high95.3Very high42 Ų4268 Ų6823%0.22539%0.385CS..  trans-79.1103.3168.7178.918.3000109.8A72 G73 L80 Y81N70-A72 PolarHBondContact O-N 3.11Å; N70-A72 WeakPolarHBondContact OD1-CB 3.24Å; N70-A72 PolarHBondContact OD1-N 2.91Å; N70-A72 VanDerWaalsContact OD1-N 3.16Å; N70-G73 PolarHBondContact ND2-O 3.3Å; N70-G73 PolarHBondContact O-N 3.46Å; N70-L80 CarbonylContact C-O 3.52Å; N70-L80 PolarHBondContact OD1-N 3.26Å; N70-L80 PolarHBondContact OD1-O 2.8Å; N70-Y81 HydrophobicContact CB-CD1 4.26Å; N70-Y81 HydrophobicContact CB-CE1 3.6Å
71I98Very high95.5Very high21 Ų2162.3 Ų62.311%0.10836%0.36CS..THydrogen-bonded Turntrans-62.7-29-178.3-57.4169.7000111.6F25 F30 F36 E69 G73 L80 K82F25-I71 HydrophobicContact CD1-CG2 4.47Å; F25-I71 HydrophobicContact CE1-CG2 4.25Å; F30-I71 HydrophobicContact CE2-CG2 3.94Å; F30-I71 HydrophobicContact CZ-CG2 3.82Å; F36-I71 HydrophobicContact CE1-CD1 3.94Å; F36-I71 HydrophobicContact CZ-CD1 4.27Å; F36-I71 HydrophobicContact CZ-CG2 4.3Å; E69-I71 PolarHBondContact O-N 3.27Å; I71-G73 VanDerWaalsContact C-N 3.26Å; I71-G73 PolarHBondContact O-N 3.14Å; I71-L80 HydrophobicContact CB-CB 4.41Å; I71-L80 HydrophobicContact CB-CD2 4.47Å; I71-L80 WeakPolarHBondContact CB-O 3.35Å; I71-L80 HydrophobicContact CG2-CD2 4.48Å; I71-L80 PolarHBondContact N-O 3.07Å; I71-K82 HydrophobicContact CD1-CB 3.93Å
72A97.4Very high95.7Very high6 Ų660.9 Ų60.95%0.0535%0.351CS..THydrogen-bonded Turntrans-76.7-11.5-178.500000113.8F23 N70 A76 F78 L80F23-A72 HydrophobicContact CB-CB 4.18Å; F23-A72 HydrophobicContact CD1-CB 4Å; F23-A72 CarbonylContact O-C 3.59Å; F23-A72 WeakPolarHBondContact O-CA 3.48Å; F23-A72 VanDerWaalsContact O-CB 3.25Å; F23-A72 WeakPolarHBondContact O-CB 3.42Å; N70-A72 PolarHBondContact O-N 3.11Å; N70-A72 WeakPolarHBondContact OD1-CB 3.24Å; N70-A72 PolarHBondContact OD1-N 2.91Å; N70-A72 VanDerWaalsContact OD1-N 3.16Å; A72-A76 HydrophobicContact CB-CB 3.66Å; A72-A76 WeakPolarHBondContact O-CB 3.36Å; A72-F78 WeakPolarHBondContact CB-O 3.38Å; A72-L80 HydrophobicContact CB-CB 4.1Å
73G92.8Very high95.9Very high34 Ų3460.9 Ų60.935%0.35135%0.351SS..  trans72.4175.2-174.900000113.8N70 I71N70-G73 PolarHBondContact ND2-O 3.3Å; N70-G73 PolarHBondContact O-N 3.46Å; I71-G73 VanDerWaalsContact C-N 3.26Å; I71-G73 PolarHBondContact O-N 3.14Å
74S90.8Very high96Very high107 Ų10758.7 Ų58.775%0.74833%0.325SS*.THydrogen-bonded Turntrans-78-16.7-172.251.70000115
75H90.3Very high96.2Very high183 Ų18357.5 Ų57.585%0.84732%0.317SS*.THydrogen-bonded Turntrans-100.6-5.9-176.1-60.1-59.5000113.5
76A96.1Very high96.5Very high23 Ų2353.1 Ų53.119%0.1928%0.281CS..SBendtrans-67.5156.5175.800000112H22 A72 F78H22-A76 WeakPolarHBondContact O-CB 3.32Å; A72-A76 HydrophobicContact CB-CB 3.66Å; A72-A76 WeakPolarHBondContact O-CB 3.36Å; A76-F78 WeakPolarHBondContact CB-O 3.45Å
77R97.9Very high96.7Very high193 Ų19349 Ų4973%0.72826%0.26SS*.SBendtrans-77.6-32.1175.8-64.9-62-173174.4-0.8111.8H22H22-R77 HydrophobicContact CB-CB 4.17Å; H22-R77 PolarHBondContact O-N 3.39Å
78F98.6Very high96.9Very high11 Ų1143.4 Ų43.45%0.04822%0.223CC..SBendtrans-119.3150.3176.2-56.2-58000110.5H22 F23 A72 A76 D90 I100 M101H22-F78 HydrophobicContact CB-CD2 3.79Å; H22-F78 HydrophobicContact CB-CE2 3.89Å; H22-F78 PolarHBondContact O-N 3.36Å; F23-F78 HydrophobicContact CD1-CB 3.82Å; F23-F78 HydrophobicContact CE1-CB 3.42Å; F23-F78 VanDerWaalsContact CE1-CB 3.42Å; F23-F78 HydrophobicContact CE1-CD2 4.42Å; F23-F78 HydrophobicContact CE1-CG 4.35Å; F23-F78 HydrophobicContact CZ-CB 4.25Å; A72-F78 WeakPolarHBondContact CB-O 3.38Å; A76-F78 WeakPolarHBondContact CB-O 3.45Å; F78-D90 WeakPolarHBondContact CA-OD1 3.13Å; F78-D90 WeakPolarHBondContact CB-OD1 3.37Å; F78-D90 VanDerWaalsContact CD1-O 3.3Å; F78-D90 WeakPolarHBondContact CD1-O 3.42Å; F78-I100 HydrophobicContact CE2-CB 4.13Å; F78-I100 HydrophobicContact CE2-CG2 3.77Å; F78-I100 HydrophobicContact CZ-CB 4.38Å; F78-I100 HydrophobicContact CZ-CG2 4.42Å; F78-M101 HydrophobicContact CD2-CB 4.04Å; F78-M101 HydrophobicContact CE1-CB 4.5Å; F78-M101 HydrophobicContact CE2-CB 3.82Å; F78-M101 HydrophobicContact CG-CB 4.47Å; F78-M101 HydrophobicContact CZ-CB 4.07Å
79V98.6Very high97Very high19 Ų1942.7 Ų42.712%0.11522%0.219CC..  trans-85.7150168.9-58.20000109.9I51 Y81 A89 D90I51-V79 HydrophobicContact CG2-CG2 3.63Å; V79-Y81 HydrophobicContact CB-CD2 4.46Å; V79-Y81 HydrophobicContact CB-CE2 3.68Å; V79-Y81 HydrophobicContact CG2-CD2 4.18Å; V79-Y81 HydrophobicContact CG2-CE2 3.46Å; V79-Y81 VanDerWaalsContact CG2-CE2 3.46Å; V79-A89 WeakPolarHBondContact O-CA 3.47Å; V79-D90 HydrophobicContact CG2-CB 4.13Å; V79-D90 WeakPolarHBondContact CG2-OD1 3.3Å; V79-D90 PolarHBondContact N-OD1 2.85Å
80L98.7Very high97.2Very high0 Ų036.6 Ų36.60%019%0.191CC..EExtended strand (participates in β ladder)trans-138.3119.8173.1-172.168.8000109.6F23 F25 N70 I71 A72 L87 F88 A89 L108F23-L80 HydrophobicContact CD1-CB 4.02Å; F23-L80 HydrophobicContact CE1-CB 4.05Å; F23-L80 HydrophobicContact CE1-CD1 4.33Å; F23-L80 HydrophobicContact CZ-CD1 4.42Å; F25-L80 HydrophobicContact CE1-CD2 3.86Å; F25-L80 HydrophobicContact CZ-CD2 3.87Å; N70-L80 CarbonylContact C-O 3.52Å; N70-L80 PolarHBondContact OD1-N 3.26Å; N70-L80 PolarHBondContact OD1-O 2.8Å; I71-L80 HydrophobicContact CB-CB 4.41Å; I71-L80 HydrophobicContact CB-CD2 4.47Å; I71-L80 WeakPolarHBondContact CB-O 3.35Å; I71-L80 HydrophobicContact CG2-CD2 4.48Å; I71-L80 PolarHBondContact N-O 3.07Å; A72-L80 HydrophobicContact CB-CB 4.1Å; L80-L87 HydrophobicContact CD1-CD2 4.13Å; L80-L87 HydrophobicContact CG-CD2 4.36Å; L80-F88 CarbonylContact C-O 3.57Å; L80-F88 WeakPolarHBondContact CA-O 3.3Å; L80-A89 HydrophobicContact CD1-CB 4.04Å; L80-L108 HydrophobicContact CD2-CD1 3.93Å
81Y98.5Very high97.2Very high15 Ų1534.6 Ų34.66%0.05918%0.18CC..EExtended strand (participates in β ladder)trans-119.2155.9174-49.6-87.3000110.3I51 H52 A55 V68 E69 N70 V79 L87 F88I51-Y81 HydrophobicContact CG2-CE2 4.46Å; H52-Y81 HydrophobicContact CB-CE2 3.72Å; H52-Y81 AromaticContact CD2-CE1 3.54Å; H52-Y81 AromaticContact CD2-CE2 3.95Å; H52-Y81 AromaticContact CD2-CZ 3.42Å; H52-Y81 VanDerWaalsContact CD2-CZ 3.42Å; H52-Y81 AromaticContact CG-CZ 3.61Å; H52-Y81 AromaticContact NE2-CE1 3.91Å; A55-Y81 HydrophobicContact CB-CD2 4.37Å; A55-Y81 HydrophobicContact CB-CG 4.28Å; V68-Y81 HydrophobicContact CB-CD1 4.21Å; V68-Y81 HydrophobicContact CG1-CD1 3.81Å; V68-Y81 HydrophobicContact CG1-CG 4.19Å; E69-Y81 VanDerWaalsContact O-CD1 3.27Å; E69-Y81 WeakPolarHBondContact O-CD1 3.48Å; N70-Y81 HydrophobicContact CB-CD1 4.26Å; N70-Y81 HydrophobicContact CB-CE1 3.6Å; V79-Y81 HydrophobicContact CB-CD2 4.46Å; V79-Y81 HydrophobicContact CB-CE2 3.68Å; V79-Y81 HydrophobicContact CG2-CD2 4.18Å; V79-Y81 HydrophobicContact CG2-CE2 3.46Å; V79-Y81 VanDerWaalsContact CG2-CE2 3.46Å; Y81-L87 WeakPolarHBondContact O-CA 3.31Å; Y81-F88 HydrophobicContact CD2-CB 4.34Å; Y81-F88 PolarHBondContact N-O 2.77Å; Y81-F88 PolarHBondContact O-N 2.71Å
82K98.2Very high97.2Very high50 Ų5034.5 Ų34.522%0.21718%0.184CC..EExtended strand (participates in β ladder)trans-128.8132.1171.1-169.7175.8-170.2-86.50110K35 F36 D38 I71 D84 I86 L87K35-K82 WeakPolarHBondContact O-CD 3.37Å; K35-K82 WeakPolarHBondContact O-CE 3.09Å; K35-K82 PolarHBondContact O-NZ 3.09Å; F36-K82 HydrophobicContact CD1-CD 3.98Å; F36-K82 HydrophobicContact CE1-CD 4.29Å; D38-K82 VanDerWaalsContact CG-NZ 3.31Å; D38-K82 VanDerWaalsContact OD1-CE 3.24Å; D38-K82 WeakPolarHBondContact OD1-CE 3.48Å; D38-K82 IonicContact OD1-NZ 3.72Å; D38-K82 PolarHBondContact OD1-NZ 3.33Å; D38-K82 IonicContact OD2-NZ 2.81Å; D38-K82 PolarHBondContact OD2-NZ 3.01Å; I71-K82 HydrophobicContact CD1-CB 3.93Å; K82-D84 WeakPolarHBondContact CE-O 3.43Å; K82-D84 PolarHBondContact NZ-O 3.29Å; K82-I86 WeakPolarHBondContact CA-O 3.44Å; K82-L87 HydrophobicContact CB-CD2 3.95Å; K82-L87 HydrophobicContact CD-CD2 4.4Å; K82-L87 HydrophobicContact CG-CD2 4.11Å
83V98Very high97.3Very high1 Ų141.9 Ų41.91%0.00622%0.22CC..EExtended strand (participates in β ladder)trans-130.5113.4169.1175.30000106.8M58 A59 A62 L64 V68 H85 I86 F88 I293M58-V83 HydrophobicContact CB-CG1 4.17Å; A59-V83 HydrophobicContact CB-CG1 4.37Å; A59-V83 HydrophobicContact CB-CG2 3.95Å; A62-V83 HydrophobicContact CB-CG1 4.21Å; L64-V83 HydrophobicContact CD1-CG1 3.91Å; V68-V83 HydrophobicContact CG1-CG2 4.24Å; V83-H85 PolarHBondContact O-N 3.2Å; V83-H85 VanDerWaalsContact O-N 3.11Å; V83-I86 PolarHBondContact N-O 3.48Å; V83-I86 WeakPolarHBondContact O-CB 3.4Å; V83-I86 PolarHBondContact O-N 3.27Å; V83-F88 HydrophobicContact CB-CE2 3.75Å; V83-F88 HydrophobicContact CB-CZ 4.38Å; V83-F88 HydrophobicContact CG2-CD2 4.49Å; V83-F88 HydrophobicContact CG2-CE2 3.87Å; V83-I293 HydrophobicContact CG1-CG2 4.34Å
84D96.8Very high97.5Very high16 Ų1640.5 Ų40.59%0.08621%0.206CC..THydrogen-bonded Turntrans45.5-116.6-174.3-64.3-31.4000111.4A62 K82 I86 I294 R296A62-D84 WeakPolarHBondContact CB-OD2 3.39Å; K82-D84 WeakPolarHBondContact CE-O 3.43Å; K82-D84 PolarHBondContact NZ-O 3.29Å; D84-I86 VanDerWaalsContact C-N 3.32Å; D84-I86 PolarHBondContact O-N 3.46Å; D84-I294 HydrophobicContact CB-CD1 4.37Å; D84-I294 HydrophobicContact CB-CG1 4.18Å; D84-I294 PolarHBondContact OD2-N 2.87Å; D84-R296 IonicContact OD1-CZ 3.85Å; D84-R296 IonicContact OD1-NH1 3.29Å; D84-R296 PolarHBondContact OD1-NH1 2.82Å; D84-R296 IonicContact OD1-NH2 2.73Å; D84-R296 PolarHBondContact OD1-NH2 2.89Å; D84-R296 IonicContact OD2-NH1 2.72Å; D84-R296 PolarHBondContact OD2-NH1 2.83Å; D84-R296 IonicContact OD2-NH2 2.77Å
85H98.2Very high97.9Very high33 Ų3335.9 Ų35.915%0.15317%0.172CC..THydrogen-bonded Turntrans-92.215-175.9-56.9-47.7000113.8D38 K40 F41 V83 N291 G292D38-H85 WeakPolarHBondContact O-CB 3.31Å; D38-H85 PolarHBondContact O-ND1 2.97Å; D38-H85 VanDerWaalsContact O-ND1 3.07Å; D38-H85 IonicContact OD2-CE1 3.28Å; D38-H85 PolarHBondContact OD2-CE1 3.17Å; D38-H85 IonicContact OD2-ND1 3.47Å; D38-H85 PolarHBondContact OD2-ND1 3.4Å; K40-H85 HydrophobicContact CB-CB 4.37Å; K40-H85 HydrophobicContact CG-CB 4.41Å; K40-H85 PolarHBondContact N-O 3.25Å; F41-H85 PolarHBondContact N-O 3.16Å; F41-H85 VanDerWaalsContact N-O 3.16Å; V83-H85 PolarHBondContact O-N 3.2Å; V83-H85 VanDerWaalsContact O-N 3.11Å; H85-N291 PolarHBondContact CD2-O 3.22Å; H85-N291 VanDerWaalsContact CD2-O 3.27Å; H85-G292 PolarHBondContact N-O 2.81Å; H85-G292 VanDerWaalsContact N-O 3.14Å
86I98.7Very high98.3Very high0 Ų031.5 Ų31.50%016%0.16CC..EExtended strand (participates in β ladder)trans-118.7126.4-175.2-49.3151.7000110.1F41 C43 K82 V83 D84 F88 L287 G292 I293F41-I86 HydrophobicContact CB-CB 4.47Å; F41-I86 HydrophobicContact CB-CG1 4.17Å; F41-I86 HydrophobicContact CB-CG2 4.14Å; F41-I86 HydrophobicContact CD2-CG1 4.2Å; F41-I86 WeakPolarHBondContact O-CA 3.27Å; C43-I86 HydrophobicContact CB-CG2 4.44Å; K82-I86 WeakPolarHBondContact CA-O 3.44Å; V83-I86 PolarHBondContact N-O 3.48Å; V83-I86 WeakPolarHBondContact O-CB 3.4Å; V83-I86 PolarHBondContact O-N 3.27Å; D84-I86 VanDerWaalsContact C-N 3.32Å; D84-I86 PolarHBondContact O-N 3.46Å; I86-F88 HydrophobicContact CB-CD2 4.46Å; I86-F88 HydrophobicContact CB-CE2 3.57Å; I86-F88 HydrophobicContact CB-CZ 3.74Å; I86-F88 HydrophobicContact CD1-CZ 4.16Å; I86-F88 HydrophobicContact CG2-CD1 4.41Å; I86-F88 HydrophobicContact CG2-CD2 4.04Å; I86-F88 HydrophobicContact CG2-CE1 3.84Å; I86-F88 HydrophobicContact CG2-CE2 3.39Å; I86-F88 HydrophobicContact CG2-CG 4.5Å; I86-F88 HydrophobicContact CG2-CZ 3.27Å; I86-F88 WeakPolarHBondContact O-CE2 3.35Å; I86-L287 HydrophobicContact CD1-CB 4.26Å; I86-L287 HydrophobicContact CD1-CD1 3.95Å; I86-L287 HydrophobicContact CD1-CD2 4.41Å; I86-L287 HydrophobicContact CD1-CG 4.44Å; I86-L287 HydrophobicContact CG1-CD1 4.48Å; I86-L287 HydrophobicContact CG1-CD2 4.29Å; I86-G292 WeakPolarHBondContact CD1-O 3.21Å; I86-G292 WeakPolarHBondContact CG1-O 3.46Å; I86-I293 HydrophobicContact CD1-CG2 3.8Å
87L98.8Very high98.4Very high0 Ų031.9 Ų31.90%016%0.161CC..EExtended strand (participates in β ladder)trans-93.4144.9163.8-77.4175.7000110.7F36 V39 F41 V42 C43 L80 Y81 K82 L108 L109F36-L87 HydrophobicContact CD1-CD1 4.39Å; F36-L87 HydrophobicContact CD1-CD2 3.92Å; F36-L87 HydrophobicContact CE1-CD2 3.92Å; V39-L87 HydrophobicContact CG1-CB 4.42Å; V39-L87 HydrophobicContact CG1-CD1 4.01Å; V39-L87 HydrophobicContact CG1-CG 4.01Å; V39-L87 HydrophobicContact CG2-CD1 3.95Å; V39-L87 HydrophobicContact CG2-CD2 4.5Å; V39-L87 HydrophobicContact CG2-CG 3.75Å; F41-L87 PolarHBondContact O-N 3.36Å; V42-L87 CarbonylContact C-O 3.48Å; V42-L87 WeakPolarHBondContact CA-O 3.34Å; V42-L87 HydrophobicContact CG1-CB 4.29Å; V42-L87 HydrophobicContact CG2-CB 4.25Å; C43-L87 PolarHBondContact N-O 3.18Å; L80-L87 HydrophobicContact CD1-CD2 4.13Å; L80-L87 HydrophobicContact CG-CD2 4.36Å; Y81-L87 WeakPolarHBondContact O-CA 3.31Å; K82-L87 HydrophobicContact CB-CD2 3.95Å; K82-L87 HydrophobicContact CD-CD2 4.4Å; K82-L87 HydrophobicContact CG-CD2 4.11Å; L87-L108 HydrophobicContact CD1-CD2 3.83Å; L87-L109 HydrophobicContact CD1-CD2 4.2Å
88F98.8Very high98.5Very high0 Ų022.7 Ų22.70%013%0.126CC..EExtended strand (participates in β ladder)trans-127.8120.4179-59.9-97.2000108.8C43 I51 F54 A55 M58 L80 Y81 V83 I86C43-F88 HydrophobicContact CB-CD1 3.82Å; C43-F88 HydrophobicContact CB-CE1 4.08Å; C43-F88 VanDerWaalsContact O-CA 3.31Å; C43-F88 WeakPolarHBondContact O-CA 3.36Å; I51-F88 HydrophobicContact CD1-CD1 4.33Å; I51-F88 HydrophobicContact CG1-CB 3.84Å; I51-F88 HydrophobicContact CG1-CD1 4.37Å; F54-F88 AromaticContact CD1-CD1 3.98Å; F54-F88 HydrophobicContact CD1-CD1 3.98Å; F54-F88 AromaticContact CD1-CE1 3.72Å; F54-F88 HydrophobicContact CD1-CE1 3.72Å; F54-F88 AromaticContact CE1-CE1 3.96Å; F54-F88 HydrophobicContact CE1-CE1 3.96Å; F54-F88 HydrophobicContact CG-CE1 4.3Å; A55-F88 HydrophobicContact CB-CB 4.16Å; A55-F88 HydrophobicContact CB-CD1 3.97Å; A55-F88 HydrophobicContact CB-CD2 3.92Å; A55-F88 HydrophobicContact CB-CE1 4.34Å; A55-F88 HydrophobicContact CB-CE2 4.31Å; A55-F88 HydrophobicContact CB-CG 3.75Å; A55-F88 HydrophobicContact CB-CZ 4.5Å; M58-F88 HydrophobicContact CB-CZ 3.89Å; M58-F88 HydrophobicContact CG-CE1 4.01Å; M58-F88 HydrophobicContact CG-CZ 3.75Å; L80-F88 CarbonylContact C-O 3.57Å; L80-F88 WeakPolarHBondContact CA-O 3.3Å; Y81-F88 HydrophobicContact CD2-CB 4.34Å; Y81-F88 PolarHBondContact N-O 2.77Å; Y81-F88 PolarHBondContact O-N 2.71Å; V83-F88 HydrophobicContact CB-CE2 3.75Å; V83-F88 HydrophobicContact CB-CZ 4.38Å; V83-F88 HydrophobicContact CG2-CD2 4.49Å; V83-F88 HydrophobicContact CG2-CE2 3.87Å; I86-F88 HydrophobicContact CB-CD2 4.46Å; I86-F88 HydrophobicContact CB-CE2 3.57Å; I86-F88 HydrophobicContact CB-CZ 3.74Å; I86-F88 HydrophobicContact CD1-CZ 4.16Å; I86-F88 HydrophobicContact CG2-CD1 4.41Å; I86-F88 HydrophobicContact CG2-CD2 4.04Å; I86-F88 HydrophobicContact CG2-CE1 3.84Å; I86-F88 HydrophobicContact CG2-CE2 3.39Å; I86-F88 HydrophobicContact CG2-CG 4.5Å; I86-F88 HydrophobicContact CG2-CZ 3.27Å; I86-F88 WeakPolarHBondContact O-CE2 3.35Å
89A98.8Very high98.5Very high0 Ų023.2 Ų23.20%013%0.13CC..EExtended strand (participates in β ladder)trans-133.7145.5177.600000111.3F23 C43 V44 C45 V79 L80 M101 V105F23-A89 HydrophobicContact CE1-CB 4.32Å; F23-A89 HydrophobicContact CZ-CB 4.21Å; C43-A89 PolarHBondContact O-N 3.24Å; V44-A89 WeakPolarHBondContact CA-O 3.38Å; V44-A89 HydrophobicContact CG1-CB 4.38Å; C45-A89 PolarHBondContact N-O 2.83Å; V79-A89 WeakPolarHBondContact O-CA 3.47Å; L80-A89 HydrophobicContact CD1-CB 4.04Å; A89-M101 HydrophobicContact CB-CG 4.27Å; A89-M101 HydrophobicContact CB-SD 4.38Å; A89-V105 HydrophobicContact CB-CG2 4.47Å
90D98.7Very high98.5Very high14 Ų1425.4 Ų25.48%0.07514%0.14CC..EExtended strand (participates in β ladder)trans-88.3162.2163.981.3-53000111C45 I51 F78 V79 M101C45-D90 CarbonylContact O-C 3.47Å; C45-D90 WeakPolarHBondContact O-CA 3.19Å; C45-D90 WeakPolarHBondContact O-CB 3.21Å; I51-D90 HydrophobicContact CG2-CB 3.99Å; F78-D90 WeakPolarHBondContact CA-OD1 3.13Å; F78-D90 WeakPolarHBondContact CB-OD1 3.37Å; F78-D90 VanDerWaalsContact CD1-O 3.3Å; F78-D90 WeakPolarHBondContact CD1-O 3.42Å; V79-D90 HydrophobicContact CG2-CB 4.13Å; V79-D90 WeakPolarHBondContact CG2-OD1 3.3Å; V79-D90 PolarHBondContact N-OD1 2.85Å; D90-M101 WeakPolarHBondContact O-CG 3.44Å
91H98.7Very high98.5Very high1 Ų125.4 Ų25.41%0.00514%0.14CC..  trans-137.412-178.165.555000113.7C45 G46 S97 M101 R121 E234C45-H91 VanDerWaalsContact C-CD2 3.48Å; C45-H91 WeakPolarHBondContact CA-NE2 3.22Å; C45-H91 PolarHBondContact O-N 3.49Å; G46-H91 WeakPolarHBondContact CA-CE1 3.15Å; G46-H91 PolarHBondContact N-CE1 2.93Å; G46-H91 VanDerWaalsContact N-CE1 3.25Å; G46-H91 PolarHBondContact N-NE2 3.32Å; H91-S97 CarbonylContact O-C 3.55Å; H91-S97 WeakPolarHBondContact O-CB 3.29Å; H91-S97 PolarHBondContact O-OG 3.14Å; H91-M101 HydrophobicContact CB-CB 4Å; H91-M101 HydrophobicContact CB-CE 3.64Å; H91-M101 HydrophobicContact CB-CG 4.06Å; H91-R121 PolarHBondContact CE1-NH1 2.81Å; H91-R121 PolarHBondContact NE2-NH1 2.77Å; H91-E234 IonicContact CE1-OE1 3.07Å
92G98.3Very high98.5Very high19 Ų1924.7 Ų24.720%0.19614%0.137CC..  trans58.4-142.6-174.700000113.2G46G46-G92 WeakPolarHBondContact CA-O 3.36Å; G46-G92 WeakPolarHBondContact O-CA 3.49Å; G46-G92 PolarHBondContact O-N 3.36Å
93M98.5Very high98.5Very high161 Ų16126.7 Ų26.779%0.79315%0.147SC*.SBendtrans-124.3141.2-178.4-66.8-179.2-69.400111.7S97 E234M93-S97 WeakPolarHBondContact O-CB 3.34Å; M93-E234 WeakPolarHBondContact CA-OE1 3.49Å
94G98.4Very high98.5Very high5 Ų527.3 Ų27.35%0.05215%0.15CC..Hα-helixtrans86.5157.4175.200000114.7P96 S97 A98 M233 E234G94-P96 VanDerWaalsContact C-CD 3.48Å; G94-P96 VanDerWaalsContact C-N 3.35Å; G94-S97 PolarHBondContact O-N 3.49Å; G94-A98 PolarHBondContact O-N 3.44Å; G94-M233 CarbonylContact C-O 3.6Å; G94-M233 WeakPolarHBondContact CA-O 3.03Å; G94-E234 PolarHBondContact N-OE1 2.66Å
95I98.5Very high98.6Very high10 Ų1026.5 Ų26.55%0.05115%0.146CC..Hα-helixtrans-48.1-47.3177-73.7172.4000112.7S97 A98 L99 N195 M233 T236 A237I95-S97 PolarHBondContact O-N 3.26Å; I95-A98 PolarHBondContact O-N 3.34Å; I95-L99 HydrophobicContact CG2-CD1 3.7Å; I95-L99 HydrophobicContact CG2-CG 4.26Å; I95-L99 WeakPolarHBondContact O-CB 3.31Å; I95-L99 WeakPolarHBondContact O-CG 3.47Å; I95-L99 PolarHBondContact O-N 2.92Å; I95-N195 WeakPolarHBondContact CD1-OD1 3.3Å; I95-M233 WeakPolarHBondContact CG1-O 3.32Å; I95-M233 PolarHBondContact N-O 3.48Å; I95-T236 VanDerWaalsContact CD1-OG1 3.31Å; I95-T236 WeakPolarHBondContact CD1-OG1 3.23Å; I95-A237 HydrophobicContact CB-CB 4.34Å; I95-A237 HydrophobicContact CG1-CB 4.09Å; I95-A237 HydrophobicContact CG2-CB 4.01Å
96P98.5Very high98.6Very high91 Ų9125.5 Ų25.559%0.59114%0.142SC*.Hα-helixtrans-60.2-45.9-179.1-26.236.2000113.4G94 L99 I100G94-P96 VanDerWaalsContact C-CD 3.48Å; G94-P96 VanDerWaalsContact C-N 3.35Å; P96-L99 PolarHBondContact O-N 3.49Å; P96-I100 WeakPolarHBondContact O-CG1 3.46Å; P96-I100 PolarHBondContact O-N 2.84Å
97S98.7Very high98.6Very high30 Ų3027.3 Ų27.321%0.2115%0.15CC..Hα-helixtrans-65.7-42.7179.9-171.90000111H91 M93 G94 I95 L99 I100 M101H91-S97 CarbonylContact O-C 3.55Å; H91-S97 WeakPolarHBondContact O-CB 3.29Å; H91-S97 PolarHBondContact O-OG 3.14Å; M93-S97 WeakPolarHBondContact O-CB 3.34Å; G94-S97 PolarHBondContact O-N 3.49Å; I95-S97 PolarHBondContact O-N 3.26Å; S97-L99 PolarHBondContact O-N 3.03Å; S97-I100 PolarHBondContact O-N 3.46Å; S97-M101 PolarHBondContact O-N 2.67Å
98A98.7Very high98.5Very high0 Ų027.3 Ų27.30%015%0.15CC..Hα-helixtrans-61-41.8175.500000113G94 I95 I100 M101 L102 E234G94-A98 PolarHBondContact O-N 3.44Å; I95-A98 PolarHBondContact O-N 3.34Å; A98-I100 VanDerWaalsContact C-N 3.35Å; A98-I100 PolarHBondContact O-N 2.9Å; A98-M101 PolarHBondContact O-N 2.9Å; A98-L102 WeakPolarHBondContact O-CB 3.47Å; A98-L102 WeakPolarHBondContact O-CD1 3.36Å; A98-L102 WeakPolarHBondContact O-CG 3.39Å; A98-L102 PolarHBondContact O-N 3.33Å; A98-E234 HydrophobicContact CB-CB 4.08Å; A98-E234 HydrophobicContact CB-CG 3.87Å
99L98.6Very high98.5Very high23 Ų2327.3 Ų27.312%0.1215%0.15CC..Hα-helixtrans-64.5-37179.4-74.8172.1000112.7I95 P96 S97 L102 H103 L152 A237I95-L99 HydrophobicContact CG2-CD1 3.7Å; I95-L99 HydrophobicContact CG2-CG 4.26Å; I95-L99 WeakPolarHBondContact O-CB 3.31Å; I95-L99 WeakPolarHBondContact O-CG 3.47Å; I95-L99 PolarHBondContact O-N 2.92Å; P96-L99 PolarHBondContact O-N 3.49Å; S97-L99 PolarHBondContact O-N 3.03Å; L99-L102 HydrophobicContact CD2-CD1 4.34Å; L99-L102 PolarHBondContact O-N 3.01Å; L99-H103 WeakPolarHBondContact O-CB 3.32Å; L99-H103 PolarHBondContact O-CD2 2.93Å; L99-H103 PolarHBondContact O-N 3.05Å; L99-L152 HydrophobicContact CD1-CD2 3.79Å; L99-A237 HydrophobicContact CD2-CB 3.93Å; L99-A237 HydrophobicContact CG-CB 3.97Å
100I98.7Very high98.4Very high64 Ų6431.3 Ų31.333%0.32817%0.168SC..Hα-helixtrans-60.4-52.4174.9-62.9168.4000110H22 F78 P96 S97 A98 L102 H103 E104H22-I100 HydrophobicContact CB-CG2 4.02Å; H22-I100 VanDerWaalsContact CE1-CG2 3.46Å; H22-I100 WeakPolarHBondContact CE1-CG2 3.33Å; H22-I100 VanDerWaalsContact ND1-CG2 3.31Å; H22-I100 WeakPolarHBondContact ND1-CG2 3.3Å; F78-I100 HydrophobicContact CE2-CB 4.13Å; F78-I100 HydrophobicContact CE2-CG2 3.77Å; F78-I100 HydrophobicContact CZ-CB 4.38Å; F78-I100 HydrophobicContact CZ-CG2 4.42Å; P96-I100 WeakPolarHBondContact O-CG1 3.46Å; P96-I100 PolarHBondContact O-N 2.84Å; S97-I100 PolarHBondContact O-N 3.46Å; A98-I100 VanDerWaalsContact C-N 3.35Å; A98-I100 PolarHBondContact O-N 2.9Å; I100-L102 VanDerWaalsContact C-N 3.34Å; I100-L102 PolarHBondContact O-N 2.87Å; I100-H103 PolarHBondContact O-N 3Å; I100-E104 PolarHBondContact O-N 2.97Å; I100-E104 VanDerWaalsContact O-N 3.14Å
101M98.7Very high98.3Very high0 Ų033.1 Ų33.10%017%0.174CC..Hα-helixtrans-56.9-47.7177.2177.2-76.3-68.800111.1F23 V44 F78 A89 D90 H91 S97 A98 H103 E104 V105F23-M101 HydrophobicContact CZ-CG 4.14Å; V44-M101 HydrophobicContact CB-CE 3.96Å; V44-M101 HydrophobicContact CG1-CE 3.73Å; V44-M101 HydrophobicContact CG1-SD 4.08Å; V44-M101 HydrophobicContact CG2-CE 4.13Å; F78-M101 HydrophobicContact CD2-CB 4.04Å; F78-M101 HydrophobicContact CE1-CB 4.5Å; F78-M101 HydrophobicContact CE2-CB 3.82Å; F78-M101 HydrophobicContact CG-CB 4.47Å; F78-M101 HydrophobicContact CZ-CB 4.07Å; A89-M101 HydrophobicContact CB-CG 4.27Å; A89-M101 HydrophobicContact CB-SD 4.38Å; D90-M101 WeakPolarHBondContact O-CG 3.44Å; H91-M101 HydrophobicContact CB-CB 4Å; H91-M101 HydrophobicContact CB-CE 3.64Å; H91-M101 HydrophobicContact CB-CG 4.06Å; S97-M101 PolarHBondContact O-N 2.67Å; A98-M101 PolarHBondContact O-N 2.9Å; M101-H103 PolarHBondContact O-N 3.1Å; M101-E104 PolarHBondContact O-N 2.78Å; M101-V105 HydrophobicContact CG-CG2 4.25Å; M101-V105 WeakPolarHBondContact O-CG2 3.37Å; M101-V105 PolarHBondContact O-N 2.97Å; M101-V105 HydrophobicContact SD-CB 4.3Å; M101-V105 HydrophobicContact SD-CG2 3.61Å
102L98.7Very high98.3Very high0 Ų033.3 Ų33.30%018%0.176CC..Hα-helixtrans-62.1-43.2-178.7-73.7162.7000112.2A98 L99 I100 E104 T106 F119 A237 I238 H241A98-L102 WeakPolarHBondContact O-CB 3.47Å; A98-L102 WeakPolarHBondContact O-CD1 3.36Å; A98-L102 WeakPolarHBondContact O-CG 3.39Å; A98-L102 PolarHBondContact O-N 3.33Å; L99-L102 HydrophobicContact CD2-CD1 4.34Å; L99-L102 PolarHBondContact O-N 3.01Å; I100-L102 VanDerWaalsContact C-N 3.34Å; I100-L102 PolarHBondContact O-N 2.87Å; L102-E104 PolarHBondContact O-N 2.78Å; L102-T106 WeakPolarHBondContact O-CB 3.34Å; L102-T106 VanDerWaalsContact O-CG2 3.3Å; L102-T106 WeakPolarHBondContact O-CG2 3.44Å; L102-T106 PolarHBondContact O-N 3.02Å; L102-T106 PolarHBondContact O-OG1 2.94Å; L102-F119 HydrophobicContact CD2-CD1 4.11Å; L102-F119 HydrophobicContact CD2-CE1 4.02Å; L102-A237 HydrophobicContact CD1-CB 4.45Å; L102-I238 HydrophobicContact CD1-CB 4.36Å; L102-I238 HydrophobicContact CD1-CG1 3.8Å; L102-I238 HydrophobicContact CD2-CG1 4.26Å; L102-I238 HydrophobicContact CG-CG1 4.42Å; L102-H241 HydrophobicContact CB-CB 4.49Å; L102-H241 HydrophobicContact CD1-CB 4.01Å; L102-H241 PolarHBondContact O-NE2 3.19Å
103H98.5Very high98.2Very high92 Ų9234.6 Ų34.643%0.42619%0.19SC..Hα-helixtrans-59-47.7176.3-91.8-74.4000111.2L99 I100 M101 T106 K107 H241L99-H103 WeakPolarHBondContact O-CB 3.32Å; L99-H103 PolarHBondContact O-CD2 2.93Å; L99-H103 PolarHBondContact O-N 3.05Å; I100-H103 PolarHBondContact O-N 3Å; M101-H103 PolarHBondContact O-N 3.1Å; H103-T106 PolarHBondContact O-OG1 3.47Å; H103-K107 VanDerWaalsContact O-CG 3.31Å; H103-K107 WeakPolarHBondContact O-CG 3.39Å; H103-K107 PolarHBondContact O-N 3.4Å; H103-K107 VanDerWaalsContact O-N 3.1Å; H103-H241 AromaticContact CD2-CE1 3.79Å; H103-H241 AromaticContact CE1-CE1 3.72Å; H103-H241 AromaticContact CG-CE1 3.78Å; H103-H241 AromaticContact ND1-CE1 3.73Å; H103-H241 AromaticContact NE2-CE1 3.75Å
104E98.5Very high98.2Very high14 Ų1427.6 Ų27.67%0.06516%0.156CC..Hα-helixtrans-68.6-47.3179.3-71.5-165.8-169.900111.8F20 H21 H22 F23 I100 M101 L102 T106 K107 L108F20-E104 HydrophobicContact CD1-CB 3.91Å; F20-E104 HydrophobicContact CD1-CG 4.31Å; F20-E104 WeakPolarHBondContact CE1-O 3.48Å; H21-E104 PolarHBondContact N-OE1 3.07Å; H22-E104 IonicContact CE1-OE1 3.15Å; H22-E104 IonicContact CG-OE1 3.2Å; H22-E104 PolarHBondContact N-OE1 3.3Å; H22-E104 PolarHBondContact N-OE2 3.4Å; H22-E104 IonicContact ND1-OE1 2.55Å; H22-E104 PolarHBondContact ND1-OE1 2.91Å; F23-E104 HydrophobicContact CD2-CB 3.65Å; F23-E104 VanDerWaalsContact CD2-OE2 3.3Å; F23-E104 WeakPolarHBondContact CD2-OE2 3.36Å; F23-E104 HydrophobicContact CE2-CB 3.61Å; F23-E104 PolarHBondContact N-OE2 2.9Å; F23-E104 VanDerWaalsContact N-OE2 3.07Å; I100-E104 PolarHBondContact O-N 2.97Å; I100-E104 VanDerWaalsContact O-N 3.14Å; M101-E104 PolarHBondContact O-N 2.78Å; L102-E104 PolarHBondContact O-N 2.78Å; E104-T106 VanDerWaalsContact C-N 3.35Å; E104-T106 PolarHBondContact O-N 3.32Å; E104-K107 PolarHBondContact O-N 3.43Å; E104-L108 PolarHBondContact O-N 2.81Å
105V98.7Very high98Very high0 Ų036 Ų360%019%0.191CC..Hα-helixtrans-61-42.5178.6176.90000111.9F23 V42 A89 M101 K107 L108 L109 F119F23-V105 HydrophobicContact CE2-CG2 3.59Å; F23-V105 HydrophobicContact CZ-CG2 3.55Å; V42-V105 HydrophobicContact CG1-CG1 4.1Å; V42-V105 HydrophobicContact CG2-CG1 4.2Å; A89-V105 HydrophobicContact CB-CG2 4.47Å; M101-V105 HydrophobicContact CG-CG2 4.25Å; M101-V105 WeakPolarHBondContact O-CG2 3.37Å; M101-V105 PolarHBondContact O-N 2.97Å; M101-V105 HydrophobicContact SD-CB 4.3Å; M101-V105 HydrophobicContact SD-CG2 3.61Å; V105-K107 PolarHBondContact O-N 2.91Å; V105-L108 WeakPolarHBondContact O-CB 3.38Å; V105-L108 PolarHBondContact O-N 3.28Å; V105-L108 VanDerWaalsContact O-N 3.14Å; V105-L109 HydrophobicContact CG1-CD1 4.27Å; V105-L109 HydrophobicContact CG1-CG 4.35Å; V105-L109 WeakPolarHBondContact O-CG 3.48Å; V105-L109 PolarHBondContact O-N 2.72Å; V105-F119 HydrophobicContact CB-CE1 4.45Å; V105-F119 HydrophobicContact CG1-CE1 3.88Å; V105-F119 HydrophobicContact CG1-CZ 3.74Å
106T98.3Very high97.9Very high11 Ų1139.8 Ų39.87%0.06721%0.212CC..Hα-helixtrans-69.3-32.1-179.953.90000112.9L102 H103 E104 H110 F119 H241 T245L102-T106 WeakPolarHBondContact O-CB 3.34Å; L102-T106 VanDerWaalsContact O-CG2 3.3Å; L102-T106 WeakPolarHBondContact O-CG2 3.44Å; L102-T106 PolarHBondContact O-N 3.02Å; L102-T106 PolarHBondContact O-OG1 2.94Å; H103-T106 PolarHBondContact O-OG1 3.47Å; E104-T106 VanDerWaalsContact C-N 3.35Å; E104-T106 PolarHBondContact O-N 3.32Å; T106-H110 WeakPolarHBondContact O-CB 3.38Å; T106-H110 PolarHBondContact O-N 2.94Å; T106-F119 HydrophobicContact CG2-CZ 4Å; T106-H241 PolarHBondContact OG1-NE2 2.89Å; T106-T245 HydrophobicContact CG2-CG2 4.19Å
107K97.8Very high97.9Very high39 Ų3935.5 Ų35.517%0.1718%0.184CC..Hα-helixtrans-63.7-42.5167.5-73.4-166.7-49.2167.40111.8L12 D18 F20 H103 E104 V105 L109 H110 Y111L12-K107 HydrophobicContact CD1-CD 4.06Å; L12-K107 HydrophobicContact CD1-CG 3.93Å; L12-K107 HydrophobicContact CD2-CD 3.68Å; L12-K107 HydrophobicContact CD2-CG 4.47Å; D18-K107 IonicContact OD1-NZ 2.77Å; D18-K107 PolarHBondContact OD1-NZ 3.49Å; D18-K107 VanDerWaalsContact OD2-CD 3.3Å; D18-K107 WeakPolarHBondContact OD2-CD 3.47Å; D18-K107 WeakPolarHBondContact OD2-CE 3.38Å; D18-K107 IonicContact OD2-NZ 2.71Å; D18-K107 PolarHBondContact OD2-NZ 3.15Å; F20-K107 HydrophobicContact CE1-CB 3.93Å; F20-K107 HydrophobicContact CZ-CB 3.9Å; H103-K107 VanDerWaalsContact O-CG 3.31Å; H103-K107 WeakPolarHBondContact O-CG 3.39Å; H103-K107 PolarHBondContact O-N 3.4Å; H103-K107 VanDerWaalsContact O-N 3.1Å; E104-K107 PolarHBondContact O-N 3.43Å; V105-K107 PolarHBondContact O-N 2.91Å; K107-L109 PolarHBondContact O-N 3.32Å; K107-H110 WeakPolarHBondContact O-CB 3.41Å; K107-H110 PolarHBondContact O-N 3.21Å; K107-Y111 HydrophobicContact CB-CE2 4.18Å; K107-Y111 WeakPolarHBondContact O-CD2 3.22Å; K107-Y111 PolarHBondContact O-N 3.39Å
108L98.1Very high97.9Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-58.4-49.5176.8175.3158.1000110.5F20 F25 F32 F36 L80 L87 E104 V105 H110 Y111 A112F20-L108 HydrophobicContact CE1-CB 3.73Å; F20-L108 HydrophobicContact CZ-CB 4.28Å; F25-L108 HydrophobicContact CE2-CD1 4.18Å; F25-L108 HydrophobicContact CZ-CD1 3.83Å; F32-L108 HydrophobicContact CD1-CB 4.44Å; F32-L108 HydrophobicContact CD1-CG 3.99Å; F32-L108 HydrophobicContact CE1-CB 4.08Å; F32-L108 HydrophobicContact CE1-CD1 4.33Å; F32-L108 HydrophobicContact CE1-CG 3.84Å; F36-L108 HydrophobicContact CB-CD2 3.87Å; F36-L108 HydrophobicContact CD1-CD2 4.17Å; F36-L108 HydrophobicContact CD2-CD1 4.13Å; F36-L108 HydrophobicContact CD2-CD2 3.92Å; F36-L108 HydrophobicContact CD2-CG 4.02Å; F36-L108 HydrophobicContact CE1-CD1 4.39Å; F36-L108 HydrophobicContact CE2-CD1 3.89Å; F36-L108 HydrophobicContact CE2-CD2 4.49Å; F36-L108 HydrophobicContact CE2-CG 4.25Å; F36-L108 HydrophobicContact CG-CD1 4.49Å; F36-L108 HydrophobicContact CG-CD2 3.73Å; F36-L108 HydrophobicContact CG-CG 4.34Å; F36-L108 HydrophobicContact CZ-CD1 4.02Å; L80-L108 HydrophobicContact CD2-CD1 3.93Å; L87-L108 HydrophobicContact CD1-CD2 3.83Å; E104-L108 PolarHBondContact O-N 2.81Å; V105-L108 WeakPolarHBondContact O-CB 3.38Å; V105-L108 PolarHBondContact O-N 3.28Å; V105-L108 VanDerWaalsContact O-N 3.14Å; L108-H110 VanDerWaalsContact C-N 3.28Å; L108-H110 PolarHBondContact O-N 3.39Å; L108-Y111 PolarHBondContact O-N 2.81Å; L108-A112 VanDerWaalsContact O-CB 3.3Å; L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 3.42Å
109L98.1Very high97.9Very high0 Ų034 Ų340%017%0.174CC..Hα-helixtrans-60.6-39177.2-66.2178.6000111.8V39 V42 L87 V105 K107 A112 G113 C114 V117 F119V39-L109 HydrophobicContact CB-CD2 4.19Å; V39-L109 HydrophobicContact CG1-CD2 3.9Å; V42-L109 HydrophobicContact CG2-CD1 4.15Å; L87-L109 HydrophobicContact CD1-CD2 4.2Å; V105-L109 HydrophobicContact CG1-CD1 4.27Å; V105-L109 HydrophobicContact CG1-CG 4.35Å; V105-L109 WeakPolarHBondContact O-CG 3.48Å; V105-L109 PolarHBondContact O-N 2.72Å; K107-L109 PolarHBondContact O-N 3.32Å; L109-A112 PolarHBondContact O-N 3.22Å; L109-G113 PolarHBondContact O-N 3.43Å; L109-G113 VanDerWaalsContact O-N 3.09Å; L109-C114 HydrophobicContact CB-CB 4.08Å; L109-C114 HydrophobicContact CD2-CB 3.99Å; L109-C114 PolarHBondContact O-N 2.94Å; L109-V117 HydrophobicContact CD1-CB 4.03Å; L109-V117 HydrophobicContact CD1-CG1 3.99Å; L109-V117 HydrophobicContact CD1-CG2 4.03Å; L109-V117 HydrophobicContact CD2-CG2 4.25Å; L109-F119 HydrophobicContact CD1-CE2 3.62Å; L109-F119 HydrophobicContact CD1-CZ 3.67Å
110H97Very high97.9Very high84 Ų8433 Ų3339%0.38917%0.168SC..Hα-helixtrans-60.4-51.9175.1175.470.9000112.1V8 T106 K107 L108 A112 G113V8-H110 VanDerWaalsContact CG1-CE1 3.41Å; V8-H110 WeakPolarHBondContact CG1-CE1 3.47Å; T106-H110 WeakPolarHBondContact O-CB 3.38Å; T106-H110 PolarHBondContact O-N 2.94Å; K107-H110 WeakPolarHBondContact O-CB 3.41Å; K107-H110 PolarHBondContact O-N 3.21Å; L108-H110 VanDerWaalsContact C-N 3.28Å; L108-H110 PolarHBondContact O-N 3.39Å; H110-A112 VanDerWaalsContact C-N 3.28Å; H110-A112 PolarHBondContact O-N 3.45Å; H110-G113 PolarHBondContact O-N 3.15Å
111Y97.4Very high97.9Very high51 Ų5130.2 Ų30.220%0.215%0.154CC..Hα-helixtrans-66.1-30.8178.4-65.5-58.5000112.9D18 F20 T27 F32 K107 L108 G113D18-Y111 HydrophobicContact CB-CE2 3.97Å; D18-Y111 VanDerWaalsContact CB-OH 3.3Å; D18-Y111 WeakPolarHBondContact CB-OH 3.27Å; D18-Y111 VanDerWaalsContact OD2-CE2 3.26Å; D18-Y111 WeakPolarHBondContact OD2-CE2 3.3Å; D18-Y111 PolarHBondContact OD2-OH 3.33Å; F20-Y111 HydrophobicContact CE2-CD2 4.28Å; F20-Y111 HydrophobicContact CE2-CE2 4.14Å; F20-Y111 AromaticContact CZ-CD2 3.84Å; F20-Y111 HydrophobicContact CZ-CD2 3.84Å; F20-Y111 AromaticContact CZ-CE2 3.88Å; F20-Y111 HydrophobicContact CZ-CE2 3.88Å; T27-Y111 HydrophobicContact CG2-CD1 4.36Å; T27-Y111 HydrophobicContact CG2-CD2 3.65Å; T27-Y111 HydrophobicContact CG2-CE1 4.37Å; T27-Y111 HydrophobicContact CG2-CE2 3.67Å; T27-Y111 HydrophobicContact CG2-CG 4.02Å; F32-Y111 HydrophobicContact CE1-CD2 4.48Å; K107-Y111 HydrophobicContact CB-CE2 4.18Å; K107-Y111 WeakPolarHBondContact O-CD2 3.22Å; K107-Y111 PolarHBondContact O-N 3.39Å; L108-Y111 PolarHBondContact O-N 2.81Å; Y111-G113 PolarHBondContact O-N 2.97Å
112A97.9Very high97.9Very high5 Ų530.8 Ų30.84%0.04116%0.157CC..Hα-helixtrans-72.8-12.7173.700000113.5F32 F36 G37 L108 L109 H110 C114F32-A112 HydrophobicContact CB-CB 4.36Å; F32-A112 WeakPolarHBondContact O-CB 3.38Å; F36-A112 HydrophobicContact CB-CB 3.73Å; G37-A112 WeakPolarHBondContact CA-O 3.48Å; L108-A112 VanDerWaalsContact O-CB 3.3Å; L108-A112 WeakPolarHBondContact O-CB 3.38Å; L108-A112 PolarHBondContact O-N 3.42Å; L109-A112 PolarHBondContact O-N 3.22Å; H110-A112 VanDerWaalsContact C-N 3.28Å; H110-A112 PolarHBondContact O-N 3.45Å; A112-C114 VanDerWaalsContact C-N 3.32Å
113G96.7Very high97.8Very high47 Ų4731 Ų3149%0.48516%0.16SC..THydrogen-bonded Turntrans77.814.2-177.500000114.4L109 H110 Y111L109-G113 PolarHBondContact O-N 3.43Å; L109-G113 VanDerWaalsContact O-N 3.09Å; H110-G113 PolarHBondContact O-N 3.15Å; Y111-G113 PolarHBondContact O-N 2.97Å
114C97.5Very high97.8Very high13 Ų1328.9 Ų28.99%0.08815%0.153CC..  trans-70144.6178-58.90000111.2F36 L109 A112 V117F36-C114 PolarHBondContact O-SG 3.38Å; L109-C114 HydrophobicContact CB-CB 4.08Å; L109-C114 HydrophobicContact CD2-CB 3.99Å; L109-C114 PolarHBondContact O-N 2.94Å; A112-C114 VanDerWaalsContact C-N 3.32Å; C114-V117 HydrophobicContact CB-CG2 3.74Å
115K94.2Very high97.8Very high181 Ų18128.7 Ų28.779%0.78715%0.153SC*.  trans-137151.3178-62.1-176.8-178.4179.10109.3V117K115-V117 PolarHBondContact O-N 3.25Å; K115-V117 VanDerWaalsContact O-N 3.16Å
116D96.1Very high97.8Very high91 Ų9128.9 Ų28.949%0.48716%0.155SC..SBendtrans51.538.8175.3-170.535.5000114.4R248D116-R248 VanDerWaalsContact OD1-CD 3.31Å; D116-R248 WeakPolarHBondContact OD1-CD 3.44Å; D116-R248 WeakPolarHBondContact OD1-CG 3.39Å; D116-R248 IonicContact OD1-CZ 3.81Å; D116-R248 IonicContact OD1-NE 3.72Å; D116-R248 PolarHBondContact OD1-NE 2.92Å; D116-R248 IonicContact OD2-NE 3.62Å; D116-R248 IonicContact OD2-NH2 3.84Å
117V98.4Very high97.8Very high0 Ų028.3 Ų28.30%015%0.152CC..  trans-71.4138.6176.2-179.40000109.6V39 V42 L109 C114 K115 F119 H247 R248V39-V117 HydrophobicContact CG1-CG1 4.27Å; V42-V117 HydrophobicContact CG2-CG1 3.67Å; L109-V117 HydrophobicContact CD1-CB 4.03Å; L109-V117 HydrophobicContact CD1-CG1 3.99Å; L109-V117 HydrophobicContact CD1-CG2 4.03Å; L109-V117 HydrophobicContact CD2-CG2 4.25Å; C114-V117 HydrophobicContact CB-CG2 3.74Å; K115-V117 PolarHBondContact O-N 3.25Å; K115-V117 VanDerWaalsContact O-N 3.16Å; V117-F119 HydrophobicContact CB-CE2 4.44Å; V117-F119 HydrophobicContact CG1-CD2 4.39Å; V117-F119 HydrophobicContact CG1-CE2 4.18Å; V117-H247 PolarHBondContact N-ND1 2.83Å; V117-H247 WeakPolarHBondContact O-CB 3.34Å; V117-R248 PolarHBondContact O-N 3.32Å
118L98.8Very high97.9Very high0 Ų026.5 Ų26.50%014%0.144CC..EExtended strand (participates in β ladder)trans-93.4114.2176.1176.664.5000110.7K40 F41 V42 I120 T169 R248 I250 Y286K40-L118 PolarHBondContact O-N 3.26Å; F41-L118 CarbonylContact C-O 3.6Å; F41-L118 WeakPolarHBondContact CA-O 3.32Å; F41-L118 HydrophobicContact CD1-CB 4.01Å; F41-L118 HydrophobicContact CD1-CD2 4.01Å; F41-L118 HydrophobicContact CD1-CG 4.39Å; F41-L118 HydrophobicContact CE1-CB 4.36Å; F41-L118 HydrophobicContact CE1-CD2 3.98Å; V42-L118 PolarHBondContact N-O 3.44Å; L118-I120 HydrophobicContact CD2-CD1 4.06Å; L118-I120 HydrophobicContact CD2-CG1 4.12Å; L118-I120 HydrophobicContact CG-CD1 4.39Å; L118-I120 HydrophobicContact CG-CG1 3.94Å; L118-T169 HydrophobicContact CD1-CG2 4.35Å; L118-T169 HydrophobicContact CD2-CG2 3.69Å; L118-R248 HydrophobicContact CD1-CB 3.77Å; L118-I250 HydrophobicContact CD1-CG1 4.36Å; L118-I250 HydrophobicContact CD1-CG2 4.43Å; L118-Y286 HydrophobicContact CD2-CE1 3.92Å
119F98.9Very high97.9Very high0 Ų028 Ų280%016%0.16CC..EExtended strand (participates in β ladder)trans-84.1129.5169.7-77.3-113.7000110.2V42 L102 V105 T106 L109 V117 C242 H247 R248 A249 I250V42-F119 HydrophobicContact CB-CD1 3.8Å; V42-F119 HydrophobicContact CB-CD2 4.25Å; V42-F119 HydrophobicContact CB-CE1 3.84Å; V42-F119 HydrophobicContact CB-CE2 4.27Å; V42-F119 HydrophobicContact CB-CG 4.02Å; V42-F119 HydrophobicContact CB-CZ 4.08Å; V42-F119 HydrophobicContact CG1-CD1 3.94Å; V42-F119 HydrophobicContact CG1-CE1 3.77Å; V42-F119 HydrophobicContact CG1-CZ 4.33Å; V42-F119 HydrophobicContact CG2-CD1 4.39Å; V42-F119 HydrophobicContact CG2-CD2 4.27Å; V42-F119 HydrophobicContact CG2-CE1 4.03Å; V42-F119 HydrophobicContact CG2-CE2 3.88Å; V42-F119 HydrophobicContact CG2-CZ 3.77Å; V42-F119 CarbonylContact O-C 3.55Å; V42-F119 WeakPolarHBondContact O-CA 3.43Å; L102-F119 HydrophobicContact CD2-CD1 4.11Å; L102-F119 HydrophobicContact CD2-CE1 4.02Å; V105-F119 HydrophobicContact CB-CE1 4.45Å; V105-F119 HydrophobicContact CG1-CE1 3.88Å; V105-F119 HydrophobicContact CG1-CZ 3.74Å; T106-F119 HydrophobicContact CG2-CZ 4Å; L109-F119 HydrophobicContact CD1-CE2 3.62Å; L109-F119 HydrophobicContact CD1-CZ 3.67Å; V117-F119 HydrophobicContact CB-CE2 4.44Å; V117-F119 HydrophobicContact CG1-CD2 4.39Å; V117-F119 HydrophobicContact CG1-CE2 4.18Å; F119-C242 WeakPolarHBondContact CG-SG 3.38Å; F119-H247 HydrophobicContact CD2-CB 4.11Å; F119-H247 HydrophobicContact CE2-CB 4.11Å; F119-H247 AromaticContact CE2-CD2 3.79Å; F119-R248 PolarHBondContact N-O 3.09Å; F119-A249 HydrophobicContact CB-CB 4.35Å; F119-A249 CarbonylContact O-C 3.57Å; F119-A249 VanDerWaalsContact O-CA 3.3Å; F119-A249 WeakPolarHBondContact O-CA 3.49Å; F119-I250 PolarHBondContact O-N 3.36Å
120I98.9Very high97.9Very high0 Ų028.8 Ų28.80%016%0.164CC..EExtended strand (participates in β ladder)trans-123.3106.1178.1-50.8179.5000108F41 V42 C43 V44 L118 I250 V252 V283 Y286 L287F41-I120 HydrophobicContact CD1-CD1 4.44Å; V42-I120 PolarHBondContact O-N 3.1Å; C43-I120 WeakPolarHBondContact CA-O 3.37Å; V44-I120 PolarHBondContact N-O 3.47Å; L118-I120 HydrophobicContact CD2-CD1 4.06Å; L118-I120 HydrophobicContact CD2-CG1 4.12Å; L118-I120 HydrophobicContact CG-CD1 4.39Å; L118-I120 HydrophobicContact CG-CG1 3.94Å; I120-I250 HydrophobicContact CB-CD1 4.39Å; I120-I250 HydrophobicContact CB-CG1 4.19Å; I120-I250 HydrophobicContact CD1-CD1 4.38Å; I120-I250 HydrophobicContact CG1-CD1 4Å; I120-I250 HydrophobicContact CG1-CG1 3.9Å; I120-I250 HydrophobicContact CG2-CD1 3.84Å; I120-I250 HydrophobicContact CG2-CG1 4.01Å; I120-V252 HydrophobicContact CG2-CG2 4.15Å; I120-V283 HydrophobicContact CD1-CG1 3.92Å; I120-V283 HydrophobicContact CG2-CG1 3.94Å; I120-V283 HydrophobicContact CG2-CG2 3.84Å; I120-Y286 HydrophobicContact CD1-CD1 4.36Å; I120-Y286 HydrophobicContact CD1-CE1 4.45Å; I120-L287 HydrophobicContact CD1-CD2 4.12Å
121R98.8Very high97.9Very high7 Ų731 Ų313%0.02617%0.173CC..EExtended strand (participates in β ladder)trans-81.7119.7171.6-178.8-159.5162.563.2-1.4109.4V44 H91 E232 E234 I238 I250 L251 V252V44-R121 HydrophobicContact CG2-CB 4.09Å; V44-R121 HydrophobicContact CG2-CG 4.37Å; V44-R121 CarbonylContact O-C 3.5Å; V44-R121 WeakPolarHBondContact O-CA 3.39Å; H91-R121 PolarHBondContact CE1-NH1 2.81Å; H91-R121 PolarHBondContact NE2-NH1 2.77Å; R121-E232 IonicContact CZ-OE2 3.99Å; R121-E232 IonicContact NE-OE2 3.17Å; R121-E232 PolarHBondContact NE-OE2 2.84Å; R121-E232 IonicContact NH1-OE2 2.75Å; R121-E232 IonicContact NH2-OE2 3.96Å; R121-E232 PolarHBondContact NH2-OE2 2.9Å; R121-E234 IonicContact CZ-OE2 2.99Å; R121-E234 IonicContact NH1-OE2 2.88Å; R121-E234 PolarHBondContact NH1-OE2 3.13Å; R121-E234 IonicContact NH2-OE2 2.69Å; R121-E234 PolarHBondContact NH2-OE2 3.36Å; R121-I238 HydrophobicContact CB-CD1 3.97Å; R121-I238 HydrophobicContact CG-CD1 3.75Å; R121-I250 PolarHBondContact N-O 3.47Å; R121-L251 HydrophobicContact CB-CG 4.17Å; R121-V252 PolarHBondContact O-N 2.98Å
122L98.6Very high97.9Very high11 Ų1130.6 Ų30.66%0.05818%0.177CC..EExtended strand (participates in β ladder)trans-97.2129.6168.4-52.8100.4000108.5C43 V44 C45 I51 F54 V252 P279 V283C43-L122 HydrophobicContact CB-CD1 3.83Å; V44-L122 PolarHBondContact O-N 3.3Å; C45-L122 WeakPolarHBondContact CA-O 3.46Å; C45-L122 HydrophobicContact CB-CB 4.32Å; C45-L122 WeakPolarHBondContact CB-O 3.31Å; I51-L122 HydrophobicContact CD1-CD1 4.38Å; F54-L122 HydrophobicContact CD1-CD1 4.04Å; F54-L122 HydrophobicContact CD1-CD2 4.12Å; F54-L122 HydrophobicContact CE1-CD1 3.89Å; F54-L122 HydrophobicContact CE1-CD2 3.8Å; F54-L122 HydrophobicContact CZ-CD2 4.21Å; L122-V252 WeakPolarHBondContact CA-O 3.36Å; L122-P279 HydrophobicContact CB-CB 4.3Å; L122-P279 HydrophobicContact CD2-CB 4.12Å; L122-V283 HydrophobicContact CD2-CB 4.03Å; L122-V283 HydrophobicContact CD2-CG1 4.36Å; L122-V283 HydrophobicContact CD2-CG2 4Å
123G97.7Very high97.8Very high6 Ų630.4 Ų30.46%0.06218%0.175CC..EExtended strand (participates in β ladder)trans-152.1172.9-17300000115.6V252 C253 V254G123-V252 PolarHBondContact N-O 2.89Å; G123-V252 VanDerWaalsContact N-O 3.08Å; G123-C253 CarbonylContact O-C 3.56Å; G123-C253 VanDerWaalsContact O-CA 3.24Å; G123-C253 WeakPolarHBondContact O-CA 3.44Å; G123-V254 PolarHBondContact O-N 3.37Å
124T97.9Very high97.9Very high46 Ų4628.3 Ų28.328%0.28215%0.153SC..EExtended strand (participates in β ladder)trans-108.1152.816652.30000108.6V254 F272T124-V254 CarbonylContact C-O 3.56Å; T124-V254 WeakPolarHBondContact CA-O 3.44Å; T124-V254 HydrophobicContact CG2-CG1 4.07Å; T124-F272 HydrophobicContact CG2-CZ 4.26Å
125S98.7Very high98Very high10 Ų1027.8 Ų27.87%0.0715%0.149CC..EExtended strand (participates in β ladder)trans-152.6162.9-176.957.60000112.1N230 M231 V254 T255 A256S125-N230 VanDerWaalsContact CB-ND2 3.33Å; S125-N230 WeakPolarHBondContact CB-ND2 3.48Å; S125-N230 WeakPolarHBondContact OG-CB 3.5Å; S125-N230 PolarHBondContact OG-ND2 2.89Å; S125-M231 WeakPolarHBondContact CA-O 3.34Å; S125-M231 VanDerWaalsContact CB-O 3.23Å; S125-M231 WeakPolarHBondContact CB-O 3.34Å; S125-V254 PolarHBondContact N-O 3.29Å; S125-V254 PolarHBondContact OG-O 2.99Å; S125-V254 VanDerWaalsContact OG-O 3.09Å; S125-T255 CarbonylContact O-C 3.57Å; S125-T255 VanDerWaalsContact O-CA 3.3Å; S125-T255 WeakPolarHBondContact O-CA 3.37Å; S125-A256 PolarHBondContact O-N 2.73Å
126G98.6Very high98.2Very high4 Ų419.1 Ų19.14%0.04111%0.112CC..EExtended strand (participates in β ladder)trans-85.8123.116400000109.5N230 M231G126-N230 CarbonylContact O-C 3.56Å; G126-N230 WeakPolarHBondContact O-CA 3.35Å; G126-N230 WeakPolarHBondContact O-CB 3.37Å; G126-M231 PolarHBondContact N-O 3.11Å; G126-M231 PolarHBondContact O-N 3.21Å
127G98.7Very high98.3Very high0 Ų014.9 Ų14.90%09%0.089CC..EExtended strand (participates in β ladder)trans-78.6153.5178.600000112.9R229 T255 V257 R259G127-R229 CarbonylContact C-O 3.59Å; G127-R229 WeakPolarHBondContact CA-O 3.41Å; G127-T255 VanDerWaalsContact CA-CG2 3.48Å; G127-V257 WeakPolarHBondContact CA-O 3.4Å; G127-V257 PolarHBondContact N-O 3.02Å; G127-R259 PolarHBondContact O-N 2.98Å
128L98.5Very high98.4Very high0 Ų014.9 Ų14.90%09%0.089CC..SBendtrans-120.3112.1170.3-62.7-176.7000109.5V130 L220 A223 Y224 I228 R229 M231 R259L128-V130 PolarHBondContact O-N 3.18Å; L128-L220 HydrophobicContact CD2-CB 4.16Å; L128-L220 HydrophobicContact CD2-CD2 3.97Å; L128-L220 HydrophobicContact CD2-CG 4.46Å; L128-A223 HydrophobicContact CD1-CB 3.81Å; L128-Y224 HydrophobicContact CB-CD2 4.3Å; L128-Y224 WeakPolarHBondContact O-CD2 3.39Å; L128-I228 HydrophobicContact CD1-CB 4.13Å; L128-I228 HydrophobicContact CD1-CG2 3.75Å; L128-R229 PolarHBondContact N-O 2.77Å; L128-M231 HydrophobicContact CD1-CG 4.27Å; L128-M231 HydrophobicContact CD1-SD 4.37Å; L128-M231 HydrophobicContact CG-CG 4.42Å; L128-R259 HydrophobicContact CD2-CB 3.87Å
129G98.1Very high98.4Very high33 Ų3317.1 Ų17.134%0.3410%0.101SC..SBendtrans66.124.3-179.400000113.5N258G129-N258 PolarHBondContact N-OD1 3.17Å; G129-N258 VanDerWaalsContact N-OD1 3.1Å
130V98Very high98.3Very high16 Ų1620.9 Ų20.910%0.09712%0.115CC..SBendtrans-133.9141.2177.9-630000110.1L128 T134 V187 T255 N258L128-V130 PolarHBondContact O-N 3.18Å; V130-T134 HydrophobicContact CB-CG2 4.16Å; V130-T134 HydrophobicContact CG1-CG2 4.41Å; V130-V187 HydrophobicContact CG1-CG2 4.37Å; V130-T255 HydrophobicContact CG2-CG2 3.74Å; V130-N258 WeakPolarHBondContact O-CB 3.31Å
131K96.5Very high98.3Very high129 Ų12920.9 Ų20.956%0.56112%0.115SC*.  trans-65150.2178.564.8179.2-178.6178.30111.5T134 T255K131-T134 WeakPolarHBondContact CG-OG1 3.5Å; K131-T134 WeakPolarHBondContact O-CB 3.45Å; K131-T134 PolarHBondContact O-N 3.15Å; K131-T134 PolarHBondContact O-OG1 3.13Å; K131-T255 PolarHBondContact O-OG1 2.79Å
132P97.5Very high98.3Very high44 Ų4420.8 Ų20.829%0.28612%0.115SC..THydrogen-bonded Turntrans-48.9142.1166.8-27.836000112.3T134 I267 F275P132-T134 VanDerWaalsContact C-N 3.34Å; P132-I267 HydrophobicContact CB-CG2 4.03Å; P132-I267 HydrophobicContact CG-CG2 4.39Å; P132-F275 HydrophobicContact CB-CE2 4.02Å
133G97.5Very high98.3Very high1 Ų120.7 Ų20.71%0.0112%0.115CC..THydrogen-bonded Turntrans85.3-1.7-178.300000115C184 T255 R278G133-C184 WeakPolarHBondContact O-CB 3.43Å; G133-T255 PolarHBondContact N-O 3.28Å; G133-R278 VanDerWaalsContact C-NH1 3.33Å; G133-R278 PolarHBondContact O-NH1 3.21Å
134T98.5Very high98.3Very high3 Ų322.2 Ų22.22%0.01812%0.123CC..PPolyproline II helixtrans-70.5133.7174.1-58.80000109.8V130 K131 P132 S185 V187 V254 T255V130-T134 HydrophobicContact CB-CG2 4.16Å; V130-T134 HydrophobicContact CG1-CG2 4.41Å; K131-T134 WeakPolarHBondContact CG-OG1 3.5Å; K131-T134 WeakPolarHBondContact O-CB 3.45Å; K131-T134 PolarHBondContact O-N 3.15Å; K131-T134 PolarHBondContact O-OG1 3.13Å; P132-T134 VanDerWaalsContact C-N 3.34Å; T134-S185 WeakPolarHBondContact CA-O 3.31Å; T134-S185 WeakPolarHBondContact CG2-O 3.33Å; T134-V187 HydrophobicContact CG2-CG1 4.07Å; T134-V187 HydrophobicContact CG2-CG2 3.85Å; T134-V254 CarbonylContact O-C 3.55Å; T134-V254 WeakPolarHBondContact O-CA 3.42Å; T134-T255 PolarHBondContact N-OG1 2.78Å; T134-T255 PolarHBondContact O-N 3.34Å; T134-T255 PolarHBondContact O-OG1 3.12Å
135I98.7Very high98.3Very high1 Ų125.9 Ų25.91%0.00514%0.135CC..EExtended strand (participates in β ladder)trans-84.2126.5168.4-59.6176000108.4L137 S185 V186 V187 V252 C253 R278 L282I135-L137 HydrophobicContact CG2-CD2 4.13Å; I135-S185 PolarHBondContact N-O 3.04Å; I135-V186 HydrophobicContact CB-CG1 4.27Å; I135-V186 HydrophobicContact CB-CG2 4.12Å; I135-V186 HydrophobicContact CD1-CG2 4.15Å; I135-V186 HydrophobicContact CG2-CG1 4.22Å; I135-V186 WeakPolarHBondContact O-CA 3.38Å; I135-V187 PolarHBondContact O-N 3.16Å; I135-V252 HydrophobicContact CG2-CG1 3.69Å; I135-C253 CarbonylContact C-O 3.55Å; I135-C253 WeakPolarHBondContact CA-O 3.46Å; I135-R278 HydrophobicContact CD1-CB 3.97Å; I135-R278 HydrophobicContact CG1-CB 4.17Å; I135-L282 HydrophobicContact CD1-CB 4.39Å; I135-L282 HydrophobicContact CD1-CD2 4.24Å; I135-L282 HydrophobicContact CG2-CD2 4.48Å
136V98.9Very high98.2Very high0 Ų027.3 Ų27.30%014%0.141CC..EExtended strand (participates in β ladder)trans-103120.2169.1-177.60000108.4V187 R229 N230 C253 T255V136-V187 WeakPolarHBondContact CA-O 3.48Å; V136-V187 HydrophobicContact CB-CG2 4.42Å; V136-V187 HydrophobicContact CG2-CG2 3.83Å; V136-R229 HydrophobicContact CG1-CB 4.04Å; V136-R229 HydrophobicContact CG2-CB 4.2Å; V136-N230 HydrophobicContact CB-CB 4.4Å; V136-N230 HydrophobicContact CG2-CB 4.08Å; V136-C253 PolarHBondContact N-O 2.74Å; V136-C253 PolarHBondContact O-N 3.27Å; V136-T255 HydrophobicContact CG2-CG2 3.91Å
137L98.9Very high98.2Very high2 Ų229.9 Ų29.91%0.0115%0.152CC..EExtended strand (participates in β ladder)trans-91.4113.6165.9-55.3177.5000107.5I135 D139 V170 L173 K174 V186 V187 V188 G189 V252 L282I135-L137 HydrophobicContact CG2-CD2 4.13Å; L137-D139 PolarHBondContact O-N 2.88Å; L137-V170 HydrophobicContact CB-CG1 4.05Å; L137-L173 HydrophobicContact CD1-CB 3.94Å; L137-L173 HydrophobicContact CD2-CB 4.37Å; L137-K174 HydrophobicContact CD1-CB 3.89Å; L137-V186 HydrophobicContact CD1-CG1 3.72Å; L137-V186 HydrophobicContact CD2-CG1 4.45Å; L137-V186 HydrophobicContact CG-CG1 3.81Å; L137-V187 PolarHBondContact N-O 3.44Å; L137-V188 HydrophobicContact CB-CG2 4.26Å; L137-V188 HydrophobicContact CD1-CG2 4.46Å; L137-V188 WeakPolarHBondContact O-CA 3.17Å; L137-G189 PolarHBondContact O-N 2.93Å; L137-V252 HydrophobicContact CD2-CB 4.28Å; L137-V252 HydrophobicContact CD2-CG1 3.84Å; L137-V252 HydrophobicContact CD2-CG2 3.86Å; L137-L282 HydrophobicContact CD2-CD2 4.24Å
138S98.9Very high98.2Very high0 Ų032.4 Ų32.40%017%0.169CC..EExtended strand (participates in β ladder)trans-71129-174.8-520000111V165 V170 G189 T191 L251S138-V165 WeakPolarHBondContact O-CG1 3.34Å; S138-V170 WeakPolarHBondContact O-CG2 3.23Å; S138-G189 CarbonylContact C-O 3.53Å; S138-G189 VanDerWaalsContact CA-O 3.23Å; S138-G189 WeakPolarHBondContact CA-O 3.5Å; S138-T191 WeakPolarHBondContact CB-OG1 3.41Å; S138-T191 PolarHBondContact OG-OG1 3.05Å; S138-L251 PolarHBondContact N-O 3.27Å; S138-L251 VanDerWaalsContact OG-CB 3.24Å; S138-L251 WeakPolarHBondContact OG-CB 3.47Å
139D98.7Very high98.2Very high47 Ų4736 Ų3625%0.25118%0.183SC..EExtended strand (participates in β ladder)trans-90.9-21.6169.762.69.1000112.5L137 L167 V188 G189 G190L137-D139 PolarHBondContact O-N 2.88Å; D139-L167 HydrophobicContact CB-CD2 3.87Å; D139-L167 WeakPolarHBondContact O-CD2 3.5Å; D139-V188 HydrophobicContact CB-CG1 3.75Å; D139-G189 PolarHBondContact N-O 3.25Å; D139-G190 VanDerWaalsContact OD1-CA 3.31Å; D139-G190 WeakPolarHBondContact OD1-CA 3.38Å; D139-G190 PolarHBondContact OD1-N 3.38Å; D139-G190 VanDerWaalsContact OD1-N 3.13Å
140R98.6Very high98.2Very high79 Ų7934.6 Ų34.630%0.29817%0.167SC..EExtended strand (participates in β ladder)trans-154.4149.5174.268.8-166.2168.1-79.43.8109.4V142 T191 H226 G227R140-V142 HydrophobicContact CG-CG1 4.25Å; R140-T191 PolarHBondContact O-N 3.11Å; R140-H226 PolarHBondContact NH2-O 2.93Å; R140-G227 PolarHBondContact NH2-O 3.41Å
141C98.6Very high98.1Very high0 Ų037.7 Ų37.70%018%0.181CC..EExtended strand (participates in β ladder)trans-104.6138.8165.6-67.50000108.8T163 T191 T236 T239 L251C141-T163 HydrophobicContact CB-CG2 4.41Å; C141-T163 PolarHBondContact O-OG1 2.78Å; C141-T191 CarbonylContact C-O 3.57Å; C141-T191 WeakPolarHBondContact CA-O 3.39Å; C141-T236 HydrophobicContact CB-CG2 4.23Å; C141-T239 HydrophobicContact CB-CG2 4.43Å; C141-L251 WeakPolarHBondContact SG-CD1 3.3Å
142V98.8Very high98.2Very high4 Ų433.2 Ų33.22%0.02416%0.163CC..EExtended strand (participates in β ladder)trans-132.6155.2177.6-630000110.4R140 L146 E147 T191 I192 A193 I228 T236R140-V142 HydrophobicContact CG-CG1 4.25Å; V142-L146 HydrophobicContact CG2-CD2 4.34Å; V142-E147 CarbonylContact C-O 3.57Å; V142-E147 WeakPolarHBondContact CA-O 3.41Å; V142-E147 WeakPolarHBondContact CB-O 3.35Å; V142-T191 PolarHBondContact N-O 2.92Å; V142-I192 HydrophobicContact CG2-CB 4.5Å; V142-I192 HydrophobicContact CG2-CG1 3.77Å; V142-I192 CarbonylContact O-C 3.59Å; V142-I192 WeakPolarHBondContact O-CA 3.39Å; V142-A193 PolarHBondContact O-N 3.45Å; V142-I228 HydrophobicContact CG2-CD1 3.68Å; V142-T236 VanDerWaalsContact C-CG2 3.49Å; V142-T236 WeakPolarHBondContact O-CG2 3.48Å
143N98.3Very high98.2Very high10 Ų1035.6 Ų35.65%0.05318%0.18CC..  trans-73.4-179.7167.566.19.1000110.7K145 L146 E147N143-K145 PolarHBondContact O-N 3.31Å; N143-K145 WeakPolarHBondContact OD1-CA 3.25Å; N143-K145 WeakPolarHBondContact OD1-CB 3.07Å; N143-K145 PolarHBondContact OD1-N 2.86Å; N143-L146 PolarHBondContact O-N 3.07Å; N143-L146 PolarHBondContact OD1-N 3.34Å; N143-E147 PolarHBondContact N-O 3.33Å; N143-E147 PolarHBondContact ND2-OE2 2.88Å; N143-E147 VanDerWaalsContact ND2-OE2 3.13Å; N143-E147 WeakPolarHBondContact OD1-CB 3.17Å; N143-E147 PolarHBondContact OD1-N 3.46Å; N143-E147 PolarHBondContact OD1-O 3.42Å
144T97.5Very high98.1Very high37 Ų3739 Ų3923%0.22720%0.197CC..THydrogen-bonded Turntrans-67.1-10.9177.449.50000114.1L146 I192 A194 E200 F219T144-L146 VanDerWaalsContact C-N 3.31Å; T144-I192 HydrophobicContact CG2-CG2 4.08Å; T144-A194 HydrophobicContact CG2-CB 3.84Å; T144-E200 HydrophobicContact CG2-CB 4.08Å; T144-E200 HydrophobicContact CG2-CG 4.48Å; T144-F219 WeakPolarHBondContact O-CE2 3.19Å
145K97.4Very high98.1Very high124 Ų12447 Ų4754%0.53924%0.239SC..THydrogen-bonded Turntrans-88.75.2169.9-56.9167.9-175.31550112.8N143 E147 E151N143-K145 PolarHBondContact O-N 3.31Å; N143-K145 WeakPolarHBondContact OD1-CA 3.25Å; N143-K145 WeakPolarHBondContact OD1-CB 3.07Å; N143-K145 PolarHBondContact OD1-N 2.86Å; K145-E147 VanDerWaalsContact C-N 3.26Å; K145-E147 HydrophobicContact CB-CG 3.91Å; K145-E147 WeakPolarHBondContact CD-OE2 3.38Å; K145-E147 PolarHBondContact O-N 3.36Å; K145-E151 IonicContact NZ-OE1 3.2Å; K145-E151 PolarHBondContact NZ-OE1 3.04Å; K145-E151 IonicContact NZ-OE2 3.48Å; K145-E151 PolarHBondContact NZ-OE2 2.98Å
146L97.7Very high98Very high39 Ų3950.1 Ų50.120%0.20427%0.271CS..SBendtrans64.723.9-175.2-50.3179.3000114.4V142 N143 T144 I192 A223 H226 I228V142-L146 HydrophobicContact CG2-CD2 4.34Å; N143-L146 PolarHBondContact O-N 3.07Å; N143-L146 PolarHBondContact OD1-N 3.34Å; T144-L146 VanDerWaalsContact C-N 3.31Å; L146-I192 HydrophobicContact CD2-CD1 3.73Å; L146-I192 HydrophobicContact CD2-CG1 3.98Å; L146-A223 HydrophobicContact CD2-CB 4.09Å; L146-H226 HydrophobicContact CD1-CB 4.11Å; L146-I228 HydrophobicContact CD2-CG1 4.13Å
147E98.2Very high98Very high58 Ų5857.1 Ų57.127%0.27130%0.302SS..  trans-103.6143.5-179.6-48.5171.6107.700111.2V142 N143 K145 Y149 R160V142-E147 CarbonylContact C-O 3.57Å; V142-E147 WeakPolarHBondContact CA-O 3.41Å; V142-E147 WeakPolarHBondContact CB-O 3.35Å; N143-E147 PolarHBondContact N-O 3.33Å; N143-E147 PolarHBondContact ND2-OE2 2.88Å; N143-E147 VanDerWaalsContact ND2-OE2 3.13Å; N143-E147 WeakPolarHBondContact OD1-CB 3.17Å; N143-E147 PolarHBondContact OD1-N 3.46Å; N143-E147 PolarHBondContact OD1-O 3.42Å; K145-E147 VanDerWaalsContact C-N 3.26Å; K145-E147 HydrophobicContact CB-CG 3.91Å; K145-E147 WeakPolarHBondContact CD-OE2 3.38Å; K145-E147 PolarHBondContact O-N 3.36Å; E147-Y149 HydrophobicContact CB-CD2 3.92Å; E147-Y149 PolarHBondContact O-N 3.48Å; E147-R160 IonicContact OE1-CZ 2.77Å; E147-R160 IonicContact OE1-NH1 2.8Å; E147-R160 IonicContact OE1-NH2 3.67Å; E147-R160 PolarHBondContact OE1-NH2 3Å; E147-R160 IonicContact OE2-CZ 3.58Å; E147-R160 IonicContact OE2-NH2 2.73Å; E147-R160 PolarHBondContact OE2-NH2 2.94Å
148P98.1Very high97.9Very high54 Ų5462.7 Ų62.735%0.35134%0.338SS..SBendtrans-80.955.5-174.935.3-38000112.7T163P148-T163 WeakPolarHBondContact CA-OG1 3.32Å; P148-T163 WeakPolarHBondContact CB-OG1 3.38Å; P148-T163 PolarHBondContact O-N 2.86Å; P148-T163 PolarHBondContact O-OG1 3.31Å
149Y98.5Very high97.8Very high76 Ų7665 Ų6530%0.29835%0.352SS..EExtended strand (participates in β ladder)trans-135.8142.6-178.3-62.4-79.6000112.5E147 R160 R161 Q162E147-Y149 HydrophobicContact CB-CD2 3.92Å; E147-Y149 PolarHBondContact O-N 3.48Å; Y149-R160 HydrophobicContact CD1-CB 3.81Å; Y149-R160 VanDerWaalsContact CD2-CZ 3.41Å; Y149-R160 HydrophobicContact CE1-CB 4.46Å; Y149-R160 HydrophobicContact CG-CB 4.13Å; Y149-R161 CarbonylContact C-O 3.21Å; Y149-R161 VanDerWaalsContact CA-O 3.31Å; Y149-R161 WeakPolarHBondContact CA-O 3.33Å; Y149-Q162 HydrophobicContact CD1-CB 4.45Å; Y149-Q162 HydrophobicContact CE1-CB 4.29Å
150N98.4Very high97.8Very high2 Ų268 Ų681%0.01136%0.36CS..EExtended strand (participates in β ladder)trans-89.2121.6156.9-173.327.2000108.7R161 S240N150-R161 HydrophobicContact CB-CB 4.43Å; N150-R161 PolarHBondContact N-O 2.88Å; N150-R161 PolarHBondContact O-N 3.07Å; N150-S240 WeakPolarHBondContact CB-OG 3.43Å; N150-S240 PolarHBondContact ND2-OG 3.5Å
151E96.8Very high97.7Very high81 Ų8166.7 Ų66.738%0.37936%0.355SS..EExtended strand (participates in β ladder)trans-97.3124.9-179.4-59.2-167118.700110K145 R160K145-E151 IonicContact NZ-OE1 3.2Å; K145-E151 PolarHBondContact NZ-OE1 3.04Å; K145-E151 IonicContact NZ-OE2 3.48Å; K145-E151 PolarHBondContact NZ-OE2 2.98Å; E151-R160 HydrophobicContact CG-CG 4.33Å; E151-R160 IonicContact OE1-NE 2.72Å
152L96.9Very high97.6Very high35 Ų3571.2 Ų71.218%0.18338%0.376CS..EExtended strand (participates in β ladder)trans-125.2161-178.9-59.7175.7000110.3L99 I154 P158 V159 R161L99-L152 HydrophobicContact CD1-CD2 3.79Å; L152-I154 HydrophobicContact CB-CG1 4.31Å; L152-I154 HydrophobicContact CD1-CD1 4.39Å; L152-P158 CarbonylContact O-C 3.58Å; L152-P158 WeakPolarHBondContact O-CA 3.42Å; L152-V159 PolarHBondContact N-O 2.92Å; L152-V159 PolarHBondContact O-N 2.61Å; L152-R161 HydrophobicContact CD1-CG 4.34Å
153C97.5Very high97.6Very high95 Ų9571.5 Ų71.564%0.64238%0.378SS*.EExtended strand (participates in β ladder)trans-117.9111.7166.8-1730000109.1G156 K157C153-G156 VanDerWaalsContact SG-C 3.59Å; C153-K157 CarbonylContact C-O 3.57Å; C153-K157 WeakPolarHBondContact CA-O 3.49Å
154I97Very high97.6Very high72 Ų7273.1 Ų73.137%0.36939%0.386SS..EExtended strand (participates in β ladder)trans-117.3118.2-177.6-57.7179.6000108L152 G156 K157 V159L152-I154 HydrophobicContact CB-CG1 4.31Å; L152-I154 HydrophobicContact CD1-CD1 4.39Å; I154-G156 PolarHBondContact O-N 3.16Å; I154-K157 PolarHBondContact N-O 3.18Å; I154-K157 WeakPolarHBondContact O-CB 3.22Å; I154-K157 PolarHBondContact O-N 3.26Å; I154-V159 HydrophobicContact CB-CG2 4.1Å; I154-V159 HydrophobicContact CD1-CB 4.24Å; I154-V159 HydrophobicContact CD1-CG1 4.32Å; I154-V159 HydrophobicContact CD1-CG2 4.12Å; I154-V159 HydrophobicContact CG1-CB 4.47Å; I154-V159 HydrophobicContact CG1-CG2 4.19Å
155L97.5Very high97.7Very high171 Ų17172 Ų7290%0.89538%0.379SS*.THydrogen-bonded Turntrans52.442.2-176-55.1175.3000112.6K157L155-K157 VanDerWaalsContact C-N 3.25Å; L155-K157 PolarHBondContact O-N 3.4Å
156G97.5Very high97.7Very high67 Ų6767.1 Ų67.169%0.69136%0.359SS*.THydrogen-bonded Turntrans75.84.2-179.100000115.1C153 I154C153-G156 VanDerWaalsContact SG-C 3.59Å; I154-G156 PolarHBondContact O-N 3.16Å
157K98.2Very high97.8Very high146 Ų14668.8 Ų68.864%0.63537%0.368SS*.EExtended strand (participates in β ladder)trans-109134.6-178.7-62179-178.3177.10111.3C153 I154 L155 V159C153-K157 CarbonylContact C-O 3.57Å; C153-K157 WeakPolarHBondContact CA-O 3.49Å; I154-K157 PolarHBondContact N-O 3.18Å; I154-K157 WeakPolarHBondContact O-CB 3.22Å; I154-K157 PolarHBondContact O-N 3.26Å; L155-K157 VanDerWaalsContact C-N 3.25Å; L155-K157 PolarHBondContact O-N 3.4Å; K157-V159 PolarHBondContact O-N 3.38Å
158P97.1Very high97.8Very high119 Ų11971.6 Ų71.677%0.77338%0.384SS*.EExtended strand (participates in β ladder)trans-66.6132.2173.328.5-33.5000110.1L152L152-P158 CarbonylContact O-C 3.58Å; L152-P158 WeakPolarHBondContact O-CA 3.42Å
159V97.6Very high97.8Very high50 Ų5069.1 Ų69.130%0.30337%0.368SS..EExtended strand (participates in β ladder)trans-130125.3177.51770000108.2L152 I154 K157 R161L152-V159 PolarHBondContact N-O 2.92Å; L152-V159 PolarHBondContact O-N 2.61Å; I154-V159 HydrophobicContact CB-CG2 4.1Å; I154-V159 HydrophobicContact CD1-CB 4.24Å; I154-V159 HydrophobicContact CD1-CG1 4.32Å; I154-V159 HydrophobicContact CD1-CG2 4.12Å; I154-V159 HydrophobicContact CG1-CB 4.47Å; I154-V159 HydrophobicContact CG1-CG2 4.19Å; K157-V159 PolarHBondContact O-N 3.38Å; V159-R161 HydrophobicContact CG1-CG 4.4Å
160R97.3Very high97.8Very high109 Ų10965.6 Ų65.641%0.41136%0.355SS..EExtended strand (participates in β ladder)trans-103.6126175-59179.678-173.48.7108.9E147 Y149 E151E147-R160 IonicContact OE1-CZ 2.77Å; E147-R160 IonicContact OE1-NH1 2.8Å; E147-R160 IonicContact OE1-NH2 3.67Å; E147-R160 PolarHBondContact OE1-NH2 3Å; E147-R160 IonicContact OE2-CZ 3.58Å; E147-R160 IonicContact OE2-NH2 2.73Å; E147-R160 PolarHBondContact OE2-NH2 2.94Å; Y149-R160 HydrophobicContact CD1-CB 3.81Å; Y149-R160 VanDerWaalsContact CD2-CZ 3.41Å; Y149-R160 HydrophobicContact CE1-CB 4.46Å; Y149-R160 HydrophobicContact CG-CB 4.13Å; E151-R160 HydrophobicContact CG-CG 4.33Å; E151-R160 IonicContact OE1-NE 2.72Å
161R96.9Very high97.8Very high52 Ų5270 Ų7020%0.19638%0.378CS..EExtended strand (participates in β ladder)trans-109.6123.1175.2-63.2-180167.2-179.23.3109.2Y149 N150 L152 V159 T163 L244Y149-R161 CarbonylContact C-O 3.21Å; Y149-R161 VanDerWaalsContact CA-O 3.31Å; Y149-R161 WeakPolarHBondContact CA-O 3.33Å; N150-R161 HydrophobicContact CB-CB 4.43Å; N150-R161 PolarHBondContact N-O 2.88Å; N150-R161 PolarHBondContact O-N 3.07Å; L152-R161 HydrophobicContact CD1-CG 4.34Å; V159-R161 HydrophobicContact CG1-CG 4.4Å; R161-T163 PolarHBondContact O-N 2.86Å; R161-L244 HydrophobicContact CB-CD1 4.21Å; R161-L244 VanDerWaalsContact CD-CD1 3.41Å; R161-L244 HydrophobicContact CG-CD1 3.8Å
162Q97.7Very high97.9Very high94 Ų9470.6 Ų70.644%0.43938%0.381SS..EExtended strand (participates in β ladder)trans-62.2136.1179.4-173.3174.610.300110.6Y149 I164 S240Y149-Q162 HydrophobicContact CD1-CB 4.45Å; Y149-Q162 HydrophobicContact CE1-CB 4.29Å; Q162-I164 HydrophobicContact CG-CD1 3.88Å; Q162-I164 HydrophobicContact CG-CG1 4.37Å; Q162-S240 WeakPolarHBondContact O-CA 3.31Å; Q162-S240 VanDerWaalsContact O-CB 3.3Å; Q162-S240 WeakPolarHBondContact O-CB 3.3Å
163T98.5Very high97.9Very high11 Ų1169 Ų697%0.06737%0.373CS..  trans-91.3124.817555.40000110.2C141 P148 R161 T236 T239C141-T163 HydrophobicContact CB-CG2 4.41Å; C141-T163 PolarHBondContact O-OG1 2.78Å; P148-T163 WeakPolarHBondContact CA-OG1 3.32Å; P148-T163 WeakPolarHBondContact CB-OG1 3.38Å; P148-T163 PolarHBondContact O-N 2.86Å; P148-T163 PolarHBondContact O-OG1 3.31Å; R161-T163 PolarHBondContact O-N 2.86Å; T163-T236 HydrophobicContact CG2-CG2 3.99Å; T163-T239 VanDerWaalsContact CB-OG1 3.29Å; T163-T239 WeakPolarHBondContact CB-OG1 3.4Å; T163-T239 WeakPolarHBondContact CG2-OG1 3.4Å
164I98.1Very high97.9Very high44 Ų4467.1 Ų67.123%0.22635%0.354CS..  trans-123.4127.5177-56.4-64.5000109.4Q162 T239 Y243Q162-I164 HydrophobicContact CG-CD1 3.88Å; Q162-I164 HydrophobicContact CG-CG1 4.37Å; I164-T239 WeakPolarHBondContact O-CB 3.36Å; I164-Y243 HydrophobicContact CB-CD1 4.38Å; I164-Y243 HydrophobicContact CB-CD2 3.89Å; I164-Y243 HydrophobicContact CB-CE2 4.46Å; I164-Y243 HydrophobicContact CB-CG 3.84Å; I164-Y243 HydrophobicContact CG1-CD1 3.56Å; I164-Y243 HydrophobicContact CG1-CD2 3.66Å; I164-Y243 HydrophobicContact CG1-CE1 3.76Å; I164-Y243 HydrophobicContact CG1-CE2 3.86Å; I164-Y243 HydrophobicContact CG1-CG 3.5Å; I164-Y243 VanDerWaalsContact CG1-CG 3.5Å; I164-Y243 HydrophobicContact CG2-CD2 4.23Å
165V98.6Very high98Very high14 Ų1470.5 Ų70.59%0.08537%0.366CS..  trans-105.2140.5173.5179.90000109.1S138 L167 V170 T239 A249 I250S138-V165 WeakPolarHBondContact O-CG1 3.34Å; V165-L167 PolarHBondContact O-N 2.79Å; V165-V170 HydrophobicContact CG1-CG2 3.8Å; V165-T239 HydrophobicContact CG2-CG2 3.72Å; V165-A249 WeakPolarHBondContact CA-O 3.41Å; V165-I250 HydrophobicContact CG1-CG2 4.16Å
166D98.6Very high98Very high20 Ų2062.8 Ų62.811%0.10733%0.325CS..  trans-76.392.9173.1179.96000111.5N168 T169 V170 R248 A249 I250D166-N168 VanDerWaalsContact C-N 3.25Å; D166-N168 PolarHBondContact O-N 3.3Å; D166-N168 WeakPolarHBondContact OD1-CB 3.38Å; D166-N168 PolarHBondContact OD1-N 3.01Å; D166-N168 VanDerWaalsContact OD1-N 3.08Å; D166-T169 PolarHBondContact O-N 3.13Å; D166-T169 PolarHBondContact OD1-N 3.19Å; D166-T169 WeakPolarHBondContact OD2-CB 3.21Å; D166-T169 PolarHBondContact OD2-OG1 3.43Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 2.9Å; D166-R248 HydrophobicContact CB-CB 4.05Å; D166-R248 HydrophobicContact CB-CG 4.42Å; D166-R248 WeakPolarHBondContact OD2-CD 3.48Å; D166-R248 IonicContact OD2-CZ 3.21Å; D166-R248 IonicContact OD2-NE 3.96Å; D166-R248 IonicContact OD2-NH1 3.83Å; D166-R248 PolarHBondContact OD2-NH1 2.88Å; D166-A249 PolarHBondContact N-O 2.92Å; D166-I250 HydrophobicContact CB-CG2 4.02Å; D166-I250 WeakPolarHBondContact O-CG2 3.24Å
167L98.5Very high97.9Very high74 Ų7460 Ų6039%0.38730%0.295SS..Hα-helixtrans-64.8-25.8-179.2-67.7171.5000113.8D139 V165 V170 N171D139-L167 HydrophobicContact CB-CD2 3.87Å; D139-L167 WeakPolarHBondContact O-CD2 3.5Å; V165-L167 PolarHBondContact O-N 2.79Å; L167-V170 PolarHBondContact O-N 3.2Å; L167-N171 WeakPolarHBondContact O-CB 3.39Å; L167-N171 PolarHBondContact O-N 2.83Å; L167-N171 PolarHBondContact O-ND2 3.44Å
168N98.3Very high97.8Very high117 Ų11758.9 Ų58.963%0.62629%0.292SS*.Hα-helixtrans-65.9-49.3176.8-68.4-22.9000109.4D166 V170 N171 E172D166-N168 VanDerWaalsContact C-N 3.25Å; D166-N168 PolarHBondContact O-N 3.3Å; D166-N168 WeakPolarHBondContact OD1-CB 3.38Å; D166-N168 PolarHBondContact OD1-N 3.01Å; D166-N168 VanDerWaalsContact OD1-N 3.08Å; N168-V170 VanDerWaalsContact C-N 3.33Å; N168-V170 PolarHBondContact O-N 2.86Å; N168-N171 PolarHBondContact O-N 3.43Å; N168-E172 WeakPolarHBondContact O-CG 3.31Å; N168-E172 PolarHBondContact O-N 2.95Å
169T98.4Very high97.7Very high2 Ų258.5 Ų58.51%0.01228%0.284CS..Hα-helixtrans-60.8-41.1175.2-63.50000111.7L118 D166 N171 E172 L173 I250 Y286L118-T169 HydrophobicContact CD1-CG2 4.35Å; L118-T169 HydrophobicContact CD2-CG2 3.69Å; D166-T169 PolarHBondContact O-N 3.13Å; D166-T169 PolarHBondContact OD1-N 3.19Å; D166-T169 WeakPolarHBondContact OD2-CB 3.21Å; D166-T169 PolarHBondContact OD2-OG1 3.43Å; T169-N171 PolarHBondContact O-N 3.14Å; T169-E172 PolarHBondContact O-N 2.79Å; T169-L173 HydrophobicContact CG2-CD1 4.17Å; T169-L173 WeakPolarHBondContact O-CB 3.36Å; T169-L173 PolarHBondContact O-N 3.45Å; T169-I250 HydrophobicContact CG2-CD1 3.58Å; T169-I250 HydrophobicContact CG2-CG1 4.2Å; T169-I250 HydrophobicContact CG2-CG2 3.88Å; T169-Y286 HydrophobicContact CG2-CE1 4.26Å; T169-Y286 HydrophobicContact CG2-CE2 4.27Å
170V98.7Very high97.4Very high2 Ų258.1 Ų58.11%0.01228%0.28CS..Hα-helixtrans-59.1-46.2175.8169.40000111.3L137 S138 V165 D166 L167 N168 L173 K174 V188 I250L137-V170 HydrophobicContact CB-CG1 4.05Å; S138-V170 WeakPolarHBondContact O-CG2 3.23Å; V165-V170 HydrophobicContact CG1-CG2 3.8Å; D166-V170 WeakPolarHBondContact O-CG2 3.32Å; D166-V170 PolarHBondContact O-N 2.9Å; L167-V170 PolarHBondContact O-N 3.2Å; N168-V170 VanDerWaalsContact C-N 3.33Å; N168-V170 PolarHBondContact O-N 2.86Å; V170-L173 PolarHBondContact O-N 3.5Å; V170-K174 WeakPolarHBondContact O-CB 3.27Å; V170-K174 PolarHBondContact O-N 3.45Å; V170-V188 HydrophobicContact CG1-CG1 4.06Å; V170-V188 HydrophobicContact CG1-CG2 4.18Å; V170-I250 HydrophobicContact CG2-CB 4.45Å; V170-I250 HydrophobicContact CG2-CG2 3.87Å
171N98.4Very high97.1Very high94 Ų9459.3 Ų59.350%0.50331%0.305SS..Hα-helixtrans-66.1-38.5178.9-70.6-30.8000112L167 N168 T169 K174 K175L167-N171 WeakPolarHBondContact O-CB 3.39Å; L167-N171 PolarHBondContact O-N 2.83Å; L167-N171 PolarHBondContact O-ND2 3.44Å; N168-N171 PolarHBondContact O-N 3.43Å; T169-N171 PolarHBondContact O-N 3.14Å; N171-K174 PolarHBondContact O-N 2.98Å; N171-K175 WeakPolarHBondContact O-CB 3.23Å; N171-K175 PolarHBondContact O-N 2.62Å
172E97.9Very high96.8Very high95 Ų9559.1 Ų59.144%0.44431%0.308SS..Hα-helixtrans-63.8-45.4174.6-74176.2-170.400112.1N168 T169 K174 K175 L176 Y286N168-E172 WeakPolarHBondContact O-CG 3.31Å; N168-E172 PolarHBondContact O-N 2.95Å; T169-E172 PolarHBondContact O-N 2.79Å; E172-K174 VanDerWaalsContact C-N 3.34Å; E172-K175 PolarHBondContact O-N 2.88Å; E172-L176 VanDerWaalsContact O-CB 3.32Å; E172-L176 WeakPolarHBondContact O-CB 3.36Å; E172-L176 PolarHBondContact O-N 3.2Å; E172-Y286 HydrophobicContact CB-CE2 4.09Å; E172-Y286 PolarHBondContact OE2-OH 3.18Å
173L98Very high96.4Very high0 Ų062.7 Ų62.70%032%0.324CS..Hα-helixtrans-63.1-39.9174.6-87.1165.5000112.1L137 T169 V170 L176 S177 I250 V252 L282 Y286L137-L173 HydrophobicContact CD1-CB 3.94Å; L137-L173 HydrophobicContact CD2-CB 4.37Å; T169-L173 HydrophobicContact CG2-CD1 4.17Å; T169-L173 WeakPolarHBondContact O-CB 3.36Å; T169-L173 PolarHBondContact O-N 3.45Å; V170-L173 PolarHBondContact O-N 3.5Å; L173-L176 HydrophobicContact CD2-CD2 4.49Å; L173-L176 WeakPolarHBondContact O-CB 3.47Å; L173-L176 PolarHBondContact O-N 3.24Å; L173-S177 WeakPolarHBondContact O-CB 3.49Å; L173-S177 PolarHBondContact O-N 2.87Å; L173-I250 HydrophobicContact CD1-CD1 3.23Å; L173-V252 HydrophobicContact CD1-CG2 4.05Å; L173-L282 HydrophobicContact CD2-CD1 4.19Å; L173-L282 HydrophobicContact CD2-CD2 4.25Å; L173-L282 HydrophobicContact CD2-CG 3.8Å; L173-Y286 HydrophobicContact CD2-CD2 3.97Å; L173-Y286 HydrophobicContact CD2-CG 3.85Å; L173-Y286 HydrophobicContact CG-CD2 3.86Å; L173-Y286 HydrophobicContact CG-CE2 4.4Å; L173-Y286 HydrophobicContact CG-CG 4.11Å
174K98.1Very high96.2Very high56 Ų5663.1 Ų63.124%0.24333%0.327CS..Hα-helixtrans-61.6-49.8175.9177.953.8-178150.20110.7L137 V170 N171 E172 L176 S177 E178 V186 V188L137-K174 HydrophobicContact CD1-CB 3.89Å; V170-K174 WeakPolarHBondContact O-CB 3.27Å; V170-K174 PolarHBondContact O-N 3.45Å; N171-K174 PolarHBondContact O-N 2.98Å; E172-K174 VanDerWaalsContact C-N 3.34Å; K174-L176 VanDerWaalsContact C-N 3.32Å; K174-L176 PolarHBondContact O-N 3.17Å; K174-S177 PolarHBondContact O-N 3.2Å; K174-S177 PolarHBondContact O-OG 3.15Å; K174-E178 WeakPolarHBondContact CE-OE1 3.42Å; K174-E178 IonicContact NZ-OE1 3.88Å; K174-E178 PolarHBondContact NZ-OE1 3.35Å; K174-E178 PolarHBondContact O-N 2.84Å; K174-V186 PolarHBondContact NZ-O 3.42Å; K174-V188 HydrophobicContact CB-CG2 4.15Å; K174-V188 HydrophobicContact CD-CG2 4.19Å; K174-V188 HydrophobicContact CG-CG2 4.05Å
175K97.5Very high96.1Very high143 Ų14363.5 Ų63.562%0.62233%0.334SS*.Hα-helixtrans-62.1-38.8175.8-172.1178.7-179.3179.10112.2N171 E172 S177 E178 N179N171-K175 WeakPolarHBondContact O-CB 3.23Å; N171-K175 PolarHBondContact O-N 2.62Å; E172-K175 PolarHBondContact O-N 2.88Å; K175-S177 VanDerWaalsContact C-N 3.34Å; K175-E178 PolarHBondContact O-N 3.48Å; K175-N179 PolarHBondContact O-N 3.26Å; K175-N179 PolarHBondContact O-ND2 3.15Å
176L97.4Very high96.1Very high9 Ų963.4 Ų63.45%0.04733%0.333CS..Hα-helixtrans-59.8-46.8174.4175.460000110.7E172 L173 K174 E178 N179 L180 L282 E285 R289E172-L176 VanDerWaalsContact O-CB 3.32Å; E172-L176 WeakPolarHBondContact O-CB 3.36Å; E172-L176 PolarHBondContact O-N 3.2Å; L173-L176 HydrophobicContact CD2-CD2 4.49Å; L173-L176 WeakPolarHBondContact O-CB 3.47Å; L173-L176 PolarHBondContact O-N 3.24Å; K174-L176 VanDerWaalsContact C-N 3.32Å; K174-L176 PolarHBondContact O-N 3.17Å; L176-E178 PolarHBondContact O-N 3.41Å; L176-N179 PolarHBondContact O-N 3.22Å; L176-L180 HydrophobicContact CD1-CD1 4.11Å; L176-L180 HydrophobicContact CD1-CG 4.2Å; L176-L180 HydrophobicContact CG-CD1 3.94Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CG 3.42Å; L176-L180 PolarHBondContact O-N 3.42Å; L176-L282 HydrophobicContact CD2-CD1 4.12Å; L176-L282 HydrophobicContact CG-CD1 4.08Å; L176-E285 HydrophobicContact CD2-CB 4.03Å; L176-R289 VanDerWaalsContact CD1-NH1 3.35Å
177S97.1Very high96.1Very high8 Ų864.4 Ų64.46%0.05634%0.34CS..Hα-helixtrans-60.5-31.5-179.275.60000113.7L173 K174 K175 N179 L180 V186L173-S177 WeakPolarHBondContact O-CB 3.49Å; L173-S177 PolarHBondContact O-N 2.87Å; K174-S177 PolarHBondContact O-N 3.2Å; K174-S177 PolarHBondContact O-OG 3.15Å; K175-S177 VanDerWaalsContact C-N 3.34Å; S177-N179 VanDerWaalsContact C-N 3.32Å; S177-L180 PolarHBondContact O-N 3.22Å; S177-V186 WeakPolarHBondContact OG-CB 3.08Å
178E95.8Very high96.1Very high124 Ų12463.4 Ų63.458%0.57934%0.337SS*.Hα-helixtrans-73.4-25.7177.7-69166.6172.300112.7K174 K175 L176K174-E178 WeakPolarHBondContact CE-OE1 3.42Å; K174-E178 IonicContact NZ-OE1 3.88Å; K174-E178 PolarHBondContact NZ-OE1 3.35Å; K174-E178 PolarHBondContact O-N 2.84Å; K175-E178 PolarHBondContact O-N 3.48Å; L176-E178 PolarHBondContact O-N 3.41Å
179N93.4Very high96.1Very high110 Ų11058 Ų5859%0.58831%0.309SS*.Hα-helixtrans-87.6-9.2175.5-65.9-58.5000112.6K175 L176 S177K175-N179 PolarHBondContact O-N 3.26Å; K175-N179 PolarHBondContact O-ND2 3.15Å; L176-N179 PolarHBondContact O-N 3.22Å; S177-N179 VanDerWaalsContact C-N 3.32Å
180L93.1Very high96.2Very high42 Ų4257.9 Ų57.922%0.2231%0.308CS..SBendtrans-99.4132.7175.9-65.7175000108.7L176 S177 L182 L282 E285L176-L180 HydrophobicContact CD1-CD1 4.11Å; L176-L180 HydrophobicContact CD1-CG 4.2Å; L176-L180 HydrophobicContact CG-CD1 3.94Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CG 3.42Å; L176-L180 PolarHBondContact O-N 3.42Å; S177-L180 PolarHBondContact O-N 3.22Å; L180-L182 HydrophobicContact CB-CD1 4.37Å; L180-L182 HydrophobicContact CB-CD2 4.02Å; L180-L182 HydrophobicContact CB-CG 3.78Å; L180-L182 HydrophobicContact CD1-CD2 4.38Å; L180-L182 PolarHBondContact O-N 2.92Å; L180-L282 HydrophobicContact CD1-CD1 3.95Å; L180-E285 HydrophobicContact CD1-CB 4.14Å; L180-E285 HydrophobicContact CD1-CG 4.1Å; L180-E285 HydrophobicContact CD2-CG 4.35Å
181S90Very high96.2Very high135 Ų13557.8 Ų57.894%0.94431%0.308SS*.  trans-75.165172-58.80000110.7
182L90.2Very high96.2Very high48 Ų4853.3 Ų53.325%0.25128%0.284SS..  trans-75.3137.1179.3-60.8176.7000110.5L180 C184 V186 L282L180-L182 HydrophobicContact CB-CD1 4.37Å; L180-L182 HydrophobicContact CB-CD2 4.02Å; L180-L182 HydrophobicContact CB-CG 3.78Å; L180-L182 HydrophobicContact CD1-CD2 4.38Å; L180-L182 PolarHBondContact O-N 2.92Å; L182-C184 PolarHBondContact O-N 3.19Å; L182-V186 HydrophobicContact CD1-CG2 3.82Å; L182-L282 HydrophobicContact CD1-CD1 4.46Å
183E90.6Very high96.2Very high169 Ų16948.9 Ų48.979%0.7926%0.263SS*.SBendtrans-74.818.8173.7-59.3-176.1160.800113.2
184C93.7Very high96.3Very high19 Ų1948.9 Ų48.913%0.12826%0.263CS..SBendtrans-144155.8-17773.10000111.9G133 L182G133-C184 WeakPolarHBondContact O-CB 3.43Å; L182-C184 PolarHBondContact O-N 3.19Å
185S96.6Very high96.3Very high52 Ų5250.7 Ų50.736%0.36428%0.276SS..  trans-78.4139.3173.3-57.70000109.9T134 I135T134-S185 WeakPolarHBondContact CA-O 3.31Å; T134-S185 WeakPolarHBondContact CG2-O 3.33Å; I135-S185 PolarHBondContact N-O 3.04Å
186V98.3Very high96.3Very high12 Ų1246.7 Ų46.77%0.07326%0.261CS..EExtended strand (participates in β ladder)trans-118.3117171.6-173.60000108.7I135 L137 K174 S177 L182 L282I135-V186 HydrophobicContact CB-CG1 4.27Å; I135-V186 HydrophobicContact CB-CG2 4.12Å; I135-V186 HydrophobicContact CD1-CG2 4.15Å; I135-V186 HydrophobicContact CG2-CG1 4.22Å; I135-V186 WeakPolarHBondContact O-CA 3.38Å; L137-V186 HydrophobicContact CD1-CG1 3.72Å; L137-V186 HydrophobicContact CD2-CG1 4.45Å; L137-V186 HydrophobicContact CG-CG1 3.81Å; K174-V186 PolarHBondContact NZ-O 3.42Å; S177-V186 WeakPolarHBondContact OG-CB 3.08Å; L182-V186 HydrophobicContact CD1-CG2 3.82Å; V186-L282 HydrophobicContact CG1-CD2 4.27Å
187V98.4Very high96.4Very high42 Ų4250.2 Ų50.226%0.25528%0.276SS..EExtended strand (participates in β ladder)trans-119155.3-177.6-560000110.7V130 T134 I135 V136 L137V130-V187 HydrophobicContact CG1-CG2 4.37Å; T134-V187 HydrophobicContact CG2-CG1 4.07Å; T134-V187 HydrophobicContact CG2-CG2 3.85Å; I135-V187 PolarHBondContact O-N 3.16Å; V136-V187 WeakPolarHBondContact CA-O 3.48Å; V136-V187 HydrophobicContact CB-CG2 4.42Å; V136-V187 HydrophobicContact CG2-CG2 3.83Å; L137-V187 PolarHBondContact N-O 3.44Å
188V98.7Very high96.4Very high53 Ų5354.5 Ų54.532%0.32129%0.292SS..EExtended strand (participates in β ladder)trans-107136.7171.4179.60000108.2L137 D139 V170 K174L137-V188 HydrophobicContact CB-CG2 4.26Å; L137-V188 HydrophobicContact CD1-CG2 4.46Å; L137-V188 WeakPolarHBondContact O-CA 3.17Å; D139-V188 HydrophobicContact CB-CG1 3.75Å; V170-V188 HydrophobicContact CG1-CG1 4.06Å; V170-V188 HydrophobicContact CG1-CG2 4.18Å; K174-V188 HydrophobicContact CB-CG2 4.15Å; K174-V188 HydrophobicContact CD-CG2 4.19Å; K174-V188 HydrophobicContact CG-CG2 4.05Å
189G98.7Very high96.6Very high3 Ų352 Ų523%0.03128%0.28CS..EExtended strand (participates in β ladder)trans-178.1175.3175.700000112.8L137 S138 D139L137-G189 PolarHBondContact O-N 2.93Å; S138-G189 CarbonylContact C-O 3.53Å; S138-G189 VanDerWaalsContact CA-O 3.23Å; S138-G189 WeakPolarHBondContact CA-O 3.5Å; D139-G189 PolarHBondContact N-O 3.25Å
190G98.8Very high96.8Very high0 Ų049.9 Ų49.90%027%0.266CS..EExtended strand (participates in β ladder)trans-74.9157.3-179.800000112.6D139 G227 I228 R229D139-G190 VanDerWaalsContact OD1-CA 3.31Å; D139-G190 WeakPolarHBondContact OD1-CA 3.38Å; D139-G190 PolarHBondContact OD1-N 3.38Å; D139-G190 VanDerWaalsContact OD1-N 3.13Å; G190-G227 PolarHBondContact N-O 3.21Å; G190-I228 CarbonylContact O-C 3.45Å; G190-I228 WeakPolarHBondContact O-CA 3.38Å; G190-I228 WeakPolarHBondContact O-CG2 3.46Å; G190-R229 PolarHBondContact O-N 3.34Å
191T99Very high97.1Very high0 Ų048 Ų480%026%0.257CS..EExtended strand (participates in β ladder)trans-128.4125.6-179.2-61.30000110.8S138 R140 C141 V142 N230 E232 L251S138-T191 WeakPolarHBondContact CB-OG1 3.41Å; S138-T191 PolarHBondContact OG-OG1 3.05Å; R140-T191 PolarHBondContact O-N 3.11Å; C141-T191 CarbonylContact C-O 3.57Å; C141-T191 WeakPolarHBondContact CA-O 3.39Å; V142-T191 PolarHBondContact N-O 2.92Å; T191-N230 WeakPolarHBondContact CA-O 3.36Å; T191-N230 WeakPolarHBondContact CA-OD1 3.31Å; T191-N230 VanDerWaalsContact CB-OD1 3.27Å; T191-N230 WeakPolarHBondContact CB-OD1 3.27Å; T191-N230 WeakPolarHBondContact CG2-OD1 3.3Å; T191-N230 PolarHBondContact OG1-OD1 3.33Å; T191-E232 HydrophobicContact CG2-CG 3.46Å; T191-E232 VanDerWaalsContact CG2-CG 3.46Å; T191-L251 HydrophobicContact CG2-CD2 4.35Å
192I98.9Very high97.5Very high0 Ų042 Ų420%022%0.215CC..EExtended strand (participates in β ladder)trans-81.3131.9168.8-67.8164.4000108.9V142 T144 L146 F219 A223 I228 N230 M231 E232V142-I192 HydrophobicContact CG2-CB 4.5Å; V142-I192 HydrophobicContact CG2-CG1 3.77Å; V142-I192 CarbonylContact O-C 3.59Å; V142-I192 WeakPolarHBondContact O-CA 3.39Å; T144-I192 HydrophobicContact CG2-CG2 4.08Å; L146-I192 HydrophobicContact CD2-CD1 3.73Å; L146-I192 HydrophobicContact CD2-CG1 3.98Å; I192-F219 HydrophobicContact CD1-CZ 4.25Å; I192-A223 HydrophobicContact CD1-CB 3.87Å; I192-I228 HydrophobicContact CD1-CG1 4.33Å; I192-I228 HydrophobicContact CD1-CG2 3.97Å; I192-I228 HydrophobicContact CG1-CD1 4.45Å; I192-I228 HydrophobicContact CG1-CG1 4.21Å; I192-I228 HydrophobicContact CG1-CG2 3.9Å; I192-N230 PolarHBondContact N-O 3.18Å; I192-N230 VanDerWaalsContact N-O 3.07Å; I192-M231 HydrophobicContact CB-CB 4.25Å; I192-M231 HydrophobicContact CB-CG 3.99Å; I192-M231 HydrophobicContact CD1-CG 4.1Å; I192-M231 HydrophobicContact CD1-SD 3.9Å; I192-M231 CarbonylContact O-C 3.45Å; I192-M231 WeakPolarHBondContact O-CA 3.46Å; I192-E232 PolarHBondContact O-N 3.43Å
193A98.8Very high97.9Very high2 Ų240 Ų402%0.01720%0.204CC..EExtended strand (participates in β ladder)trans-107.6115.2165.200000109.5V142 E232 T236V142-A193 PolarHBondContact O-N 3.45Å; A193-E232 CarbonylContact C-O 3.39Å; A193-E232 VanDerWaalsContact CA-O 3.31Å; A193-E232 WeakPolarHBondContact CA-O 3.49Å; A193-E232 VanDerWaalsContact CB-OE1 3.26Å; A193-E232 WeakPolarHBondContact CB-OE1 3.46Å; A193-T236 HydrophobicContact CB-CG2 3.63Å; A193-T236 WeakPolarHBondContact CB-OG1 3.33Å
194A98.5Very high98.2Very high0 Ų035 Ų350%018%0.183CC..  trans-101.3149.9178.700000111.7T144 D196 E200 Q201 E232 M233T144-A194 HydrophobicContact CG2-CB 3.84Å; A194-D196 WeakPolarHBondContact CB-O 3.36Å; A194-E200 HydrophobicContact CB-CB 3.88Å; A194-Q201 HydrophobicContact CB-CG 3.7Å; A194-E232 PolarHBondContact N-O 3.36Å; A194-M233 VanDerWaalsContact O-CA 3.27Å; A194-M233 WeakPolarHBondContact O-CA 3.39Å; A194-M233 VanDerWaalsContact O-CB 3.31Å; A194-M233 WeakPolarHBondContact O-CB 3.44Å; A194-M233 WeakPolarHBondContact O-CG 3.34Å
195N98Very high98.5Very high94 Ų9436.4 Ų36.450%0.50319%0.189SC..SBendtrans-80.6-25.1171.5-63.1-67.1000112.6I95 E200 M233I95-N195 WeakPolarHBondContact CD1-OD1 3.3Å; N195-E200 WeakPolarHBondContact CB-OE2 3.21Å; N195-E200 PolarHBondContact N-OE2 3.03Å; N195-M233 VanDerWaalsContact O-CE 3.3Å; N195-M233 WeakPolarHBondContact O-CE 3.44Å
196D98.4Very high98.5Very high58 Ų5835 Ų3531%0.3118%0.183SC..  trans-119.9146.8176.4175.7-108000111.5A194 Y198 E199 E200A194-D196 WeakPolarHBondContact CB-O 3.36Å; D196-Y198 VanDerWaalsContact OD1-C 3.29Å; D196-Y198 WeakPolarHBondContact OD1-CA 3.4Å; D196-Y198 PolarHBondContact OD1-N 3.26Å; D196-E199 PolarHBondContact OD1-N 3.41Å; D196-E200 HydrophobicContact CB-CB 3.94Å; D196-E200 HydrophobicContact CB-CG 4.03Å; D196-E200 PolarHBondContact OD1-N 3.17Å
197F98.7Very high98.5Very high84 Ų8440.6 Ų40.637%0.36822%0.222SC..SBendtrans-82-27.5-178.2-178.7-96.3000113Q201 R203 M233F197-Q201 WeakPolarHBondContact O-CB 3.33Å; F197-R203 VanDerWaalsContact CZ-NH1 3.28Å; F197-R203 WeakPolarHBondContact O-CD 3.35Å; F197-R203 PolarHBondContact O-NH1 2.88Å; F197-M233 HydrophobicContact CB-CE 4.36Å; F197-M233 HydrophobicContact CB-SD 3.92Å; F197-M233 HydrophobicContact CD2-SD 4.13Å
198Y98.7Very high98.5Very high97 Ų9743.1 Ų43.138%0.3823%0.234SC..SBendtrans-99.3-79.7-171.2-70-82000111.5D196 Q201 G202 R203 D205D196-Y198 VanDerWaalsContact OD1-C 3.29Å; D196-Y198 WeakPolarHBondContact OD1-CA 3.4Å; D196-Y198 PolarHBondContact OD1-N 3.26Å; Y198-Q201 CarbonylContact O-C 3.59Å; Y198-Q201 PolarHBondContact O-N 3.34Å; Y198-G202 PolarHBondContact O-N 3.21Å; Y198-G202 VanDerWaalsContact O-N 3.15Å; Y198-R203 HydrophobicContact CD1-CB 4.2Å; Y198-R203 WeakPolarHBondContact O-CB 3.26Å; Y198-R203 PolarHBondContact O-N 2.95Å; Y198-D205 WeakPolarHBondContact CD1-OD1 3.31Å; Y198-D205 WeakPolarHBondContact CE1-O 3.33Å
199E98.5Very high98.5Very high71 Ų7143.2 Ų43.233%0.33224%0.236SC..THydrogen-bonded Turntrans-63.4-48.6-175.4-65.2-170.698.700111.9D196 Q201 G202 I208 F211D196-E199 PolarHBondContact OD1-N 3.41Å; E199-Q201 PolarHBondContact O-N 3.06Å; E199-G202 PolarHBondContact O-N 2.62Å; E199-I208 WeakPolarHBondContact CG-O 3.38Å; E199-I208 WeakPolarHBondContact OE1-CG2 3.16Å; E199-F211 HydrophobicContact CB-CE1 4.16Å; E199-F211 HydrophobicContact CG-CE1 4.32Å
200E98.2Very high98.5Very high66 Ų6648.7 Ų48.731%0.30827%0.269SS..THydrogen-bonded Turntrans-69-17.1-178.8-80.9-161.7-16800113.8T144 A194 N195 D196T144-E200 HydrophobicContact CG2-CB 4.08Å; T144-E200 HydrophobicContact CG2-CG 4.48Å; A194-E200 HydrophobicContact CB-CB 3.88Å; N195-E200 WeakPolarHBondContact CB-OE2 3.21Å; N195-E200 PolarHBondContact N-OE2 3.03Å; D196-E200 HydrophobicContact CB-CB 3.94Å; D196-E200 HydrophobicContact CB-CG 4.03Å; D196-E200 PolarHBondContact OD1-N 3.17Å
201Q98.6Very high98.5Very high4 Ų451 Ų512%0.01928%0.279CS..THydrogen-bonded Turntrans-101.29.7171-60.8-173.827.200112.5A194 F197 Y198 E199 R203 M231 R259A194-Q201 HydrophobicContact CB-CG 3.7Å; F197-Q201 WeakPolarHBondContact O-CB 3.33Å; Y198-Q201 CarbonylContact O-C 3.59Å; Y198-Q201 PolarHBondContact O-N 3.34Å; E199-Q201 PolarHBondContact O-N 3.06Å; Q201-R203 PolarHBondContact O-N 3.44Å; Q201-M231 HydrophobicContact CB-CE 3.92Å; Q201-M231 HydrophobicContact CG-CE 4.46Å; Q201-R259 VanDerWaalsContact O-CZ 3.23Å; Q201-R259 PolarHBondContact O-NH1 3.15Å; Q201-R259 PolarHBondContact O-NH2 3.2Å
202G98.3Very high98.5Very high7 Ų753 Ų537%0.07229%0.293CS..THydrogen-bonded Turntrans62.736.1178.500000113.7Y198 E199 K216 R259Y198-G202 PolarHBondContact O-N 3.21Å; Y198-G202 VanDerWaalsContact O-N 3.15Å; E199-G202 PolarHBondContact O-N 2.62Å; G202-K216 WeakPolarHBondContact O-CD 3.33Å; G202-K216 VanDerWaalsContact O-CE 3.29Å; G202-K216 WeakPolarHBondContact O-CE 3.32Å; G202-K216 WeakPolarHBondContact O-CG 3.38Å; G202-R259 VanDerWaalsContact C-NH2 3.35Å; G202-R259 PolarHBondContact O-NH2 3.33Å; G202-R259 VanDerWaalsContact O-NH2 3.11Å
203R98.7Very high98.5Very high6 Ų659 Ų592%0.02332%0.319CS..  trans-82.9146.4174.9-71.3-168.2150.481.82111.5F197 Y198 Q201 D205 F211 R259 D263F197-R203 VanDerWaalsContact CZ-NH1 3.28Å; F197-R203 WeakPolarHBondContact O-CD 3.35Å; F197-R203 PolarHBondContact O-NH1 2.88Å; Y198-R203 HydrophobicContact CD1-CB 4.2Å; Y198-R203 WeakPolarHBondContact O-CB 3.26Å; Y198-R203 PolarHBondContact O-N 2.95Å; Q201-R203 PolarHBondContact O-N 3.44Å; R203-D205 VanDerWaalsContact CB-OD1 3.3Å; R203-D205 WeakPolarHBondContact CB-OD1 3.15Å; R203-D205 WeakPolarHBondContact CD-OD1 3.46Å; R203-F211 WeakPolarHBondContact O-CE2 3.48Å; R203-F211 WeakPolarHBondContact O-CZ 3.27Å; R203-R259 VanDerWaalsContact CG-NH2 3.28Å; R203-D263 HydrophobicContact CB-CB 4.42Å; R203-D263 HydrophobicContact CG-CB 4.17Å; R203-D263 PolarHBondContact NE-O 3.21Å; R203-D263 PolarHBondContact NH2-O 2.86Å
204L98.7Very high98.5Very high64 Ų6465.1 Ų65.134%0.33535%0.347SS..SBendtrans-101.95.6178.3-52.6175000113.3F211 K213 K216 D263L204-F211 HydrophobicContact CD2-CD2 3.86Å; L204-F211 HydrophobicContact CD2-CE2 3.67Å; L204-K213 HydrophobicContact CD1-CB 3.79Å; L204-K213 HydrophobicContact CD1-CG 4.01Å; L204-K216 HydrophobicContact CD1-CD 4.02Å; L204-K216 HydrophobicContact CD2-CB 4.47Å; L204-K216 HydrophobicContact CD2-CD 4.33Å; L204-K216 HydrophobicContact CG-CD 3.89Å; L204-D263 PolarHBondContact N-OD2 2.88Å
205D98.2Very high98.5Very high49 Ų4970.5 Ų70.526%0.26237%0.373SS..SBendtrans-114.918.5-173.461.31.5000113Y198 R203 D263 Q264Y198-D205 WeakPolarHBondContact CD1-OD1 3.31Å; Y198-D205 WeakPolarHBondContact CE1-O 3.33Å; R203-D205 VanDerWaalsContact CB-OD1 3.3Å; R203-D205 WeakPolarHBondContact CB-OD1 3.15Å; R203-D205 WeakPolarHBondContact CD-OD1 3.46Å; D205-D263 VanDerWaalsContact OD2-CB 3.26Å; D205-D263 WeakPolarHBondContact OD2-CB 3.41Å; D205-Q264 PolarHBondContact OD2-NE2 2.98Å
206G98.2Very high98.5Very high22 Ų2266.6 Ų66.623%0.22735%0.351CS..SBendtrans-83.9171.2170.700000112.7I208G206-I208 VanDerWaalsContact C-N 3.27Å
207S98.3Very high98.5Very high130 Ų13066.8 Ų66.891%0.90935%0.352SS*.SBendtrans-72.3-22.5172.954.60000113.2
208I98.5Very high98.5Very high96 Ų9665.8 Ų65.849%0.49236%0.359SS..  trans-123.9129.5176.6-54.1174.6000107.2E199 G206 T210E199-I208 WeakPolarHBondContact CG-O 3.38Å; E199-I208 WeakPolarHBondContact OE1-CG2 3.16Å; G206-I208 VanDerWaalsContact C-N 3.27Å; I208-T210 HydrophobicContact CG2-CG2 4.4Å
209C98.5Very high98.5Very high55 Ų5564.2 Ų64.237%0.37235%0.354SS..  trans-150.2113.3175.4-176.20000108.8F211C209-F211 PolarHBondContact SG-O 2.79Å; C209-F211 VanDerWaalsContact SG-O 3.39Å
210T98.3Very high98.5Very high118 Ų11860.8 Ų60.872%0.72434%0.339SS*.  trans-111.58.8-175.5540000113.5I208I208-T210 HydrophobicContact CG2-CG2 4.4Å
211F98.5Very high98.5Very high47 Ų4761.3 Ų61.321%0.20634%0.341CS..SBendtrans-128.8159.2-178.748.3-97000111.6E199 R203 L204 C209 E215E199-F211 HydrophobicContact CB-CE1 4.16Å; E199-F211 HydrophobicContact CG-CE1 4.32Å; R203-F211 WeakPolarHBondContact O-CE2 3.48Å; R203-F211 WeakPolarHBondContact O-CZ 3.27Å; L204-F211 HydrophobicContact CD2-CD2 3.86Å; L204-F211 HydrophobicContact CD2-CE2 3.67Å; C209-F211 PolarHBondContact SG-O 2.79Å; C209-F211 VanDerWaalsContact SG-O 3.39Å; F211-E215 VanDerWaalsContact CA-OE2 3.27Å; F211-E215 WeakPolarHBondContact CA-OE2 3.4Å; F211-E215 HydrophobicContact CB-CB 4.24Å
212S98.5Very high98.5Very high42 Ų4263.1 Ų63.129%0.29435%0.354SS..  trans-86.2169.718093.80000113E214 E215 K216S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 VanDerWaalsContact CB-OE2 3.25Å; S212-E214 WeakPolarHBondContact CB-OE2 3.2Å; S212-E214 PolarHBondContact O-N 3.38Å; S212-E214 PolarHBondContact OG-N 2.85Å; S212-E214 VanDerWaalsContact OG-N 3.16Å; S212-E214 PolarHBondContact OG-OE2 3.19Å; S212-E215 PolarHBondContact N-OE2 2.88Å; S212-E215 PolarHBondContact O-N 3.2Å; S212-E215 PolarHBondContact OG-N 3.05Å; S212-K216 PolarHBondContact O-N 2.88Å
213K98.6Very high98.5Very high126 Ų12662.8 Ų62.855%0.54835%0.351SS..Hα-helixtrans-63.3-35.8173.2-177.9178.1177.8-178.50111.8L204 L217L204-K213 HydrophobicContact CD1-CB 3.79Å; L204-K213 HydrophobicContact CD1-CG 4.01Å; K213-L217 HydrophobicContact CG-CD1 4.15Å; K213-L217 HydrophobicContact CG-CG 4.5Å; K213-L217 WeakPolarHBondContact O-CB 3.23Å; K213-L217 WeakPolarHBondContact O-CG 3.43Å; K213-L217 PolarHBondContact O-N 2.85Å
214E98.6Very high98.5Very high131 Ų13166.2 Ų66.261%0.61236%0.364SS*.Hα-helixtrans-65.8-45.2177.8-60.369-147.200110.7S212 L217 A218S212-E214 VanDerWaalsContact C-N 3.27Å; S212-E214 VanDerWaalsContact CB-OE2 3.25Å; S212-E214 WeakPolarHBondContact CB-OE2 3.2Å; S212-E214 PolarHBondContact O-N 3.38Å; S212-E214 PolarHBondContact OG-N 2.85Å; S212-E214 VanDerWaalsContact OG-N 3.16Å; S212-E214 PolarHBondContact OG-OE2 3.19Å; E214-L217 PolarHBondContact O-N 2.55Å; E214-A218 WeakPolarHBondContact O-CB 3.27Å; E214-A218 PolarHBondContact O-N 3.29Å
215E98.6Very high98.5Very high113 Ų11369.6 Ų69.653%0.52838%0.378SS..Hα-helixtrans-62.2-45176.4-68.8176.6114.900111.6F211 S212 L217 A218 F219F211-E215 VanDerWaalsContact CA-OE2 3.27Å; F211-E215 WeakPolarHBondContact CA-OE2 3.4Å; F211-E215 HydrophobicContact CB-CB 4.24Å; S212-E215 PolarHBondContact N-OE2 2.88Å; S212-E215 PolarHBondContact O-N 3.2Å; S212-E215 PolarHBondContact OG-N 3.05Å; E215-L217 PolarHBondContact O-N 2.69Å; E215-A218 PolarHBondContact O-N 3.25Å; E215-F219 PolarHBondContact O-N 2.74Å
216K98.6Very high98.5Very high13 Ų1372.5 Ų72.56%0.05739%0.39CS..Hα-helixtrans-52.4-55.9170.7162.9-171.2-177.9-173.80111.2G202 L204 S212 A218 F219 L220 D263G202-K216 WeakPolarHBondContact O-CD 3.33Å; G202-K216 VanDerWaalsContact O-CE 3.29Å; G202-K216 WeakPolarHBondContact O-CE 3.32Å; G202-K216 WeakPolarHBondContact O-CG 3.38Å; L204-K216 HydrophobicContact CD1-CD 4.02Å; L204-K216 HydrophobicContact CD2-CB 4.47Å; L204-K216 HydrophobicContact CD2-CD 4.33Å; L204-K216 HydrophobicContact CG-CD 3.89Å; S212-K216 PolarHBondContact O-N 2.88Å; K216-A218 VanDerWaalsContact C-N 3.3Å; K216-A218 PolarHBondContact O-N 3.36Å; K216-F219 PolarHBondContact O-N 3.32Å; K216-L220 HydrophobicContact CD-CD1 4.39Å; K216-L220 HydrophobicContact CG-CD1 3.76Å; K216-L220 HydrophobicContact CG-CG 4.32Å; K216-L220 VanDerWaalsContact O-CG 3.31Å; K216-L220 WeakPolarHBondContact O-CG 3.34Å; K216-L220 PolarHBondContact O-N 3.21Å; K216-D263 VanDerWaalsContact CE-OD1 3.26Å; K216-D263 WeakPolarHBondContact CE-OD1 3.11Å; K216-D263 IonicContact NZ-OD1 2.64Å; K216-D263 PolarHBondContact NZ-OD1 3.25Å; K216-D263 IonicContact NZ-OD2 2.75Å; K216-D263 PolarHBondContact NZ-OD2 3.41Å
217L98.7Very high98.5Very high61 Ų6172.4 Ų72.432%0.31939%0.389SS..Hα-helixtrans-65.3-36.5-173.9-73.5174.7000111.3K213 E214 E215 L220 Q221K213-L217 HydrophobicContact CG-CD1 4.15Å; K213-L217 HydrophobicContact CG-CG 4.5Å; K213-L217 WeakPolarHBondContact O-CB 3.23Å; K213-L217 WeakPolarHBondContact O-CG 3.43Å; K213-L217 PolarHBondContact O-N 2.85Å; E214-L217 PolarHBondContact O-N 2.55Å; E215-L217 PolarHBondContact O-N 2.69Å; L217-L220 PolarHBondContact O-N 3.3Å; L217-Q221 WeakPolarHBondContact O-CB 3.42Å; L217-Q221 PolarHBondContact O-N 2.96Å
218A98.6Very high98.5Very high64 Ų6466.3 Ų66.353%0.52935%0.346SS..Hα-helixtrans-61-45.7174.200000112E214 E215 K216 S222E214-A218 WeakPolarHBondContact O-CB 3.27Å; E214-A218 PolarHBondContact O-N 3.29Å; E215-A218 PolarHBondContact O-N 3.25Å; K216-A218 VanDerWaalsContact C-N 3.3Å; K216-A218 PolarHBondContact O-N 3.36Å; A218-S222 WeakPolarHBondContact O-CB 3.46Å; A218-S222 PolarHBondContact O-N 3.05Å
219F98.6Very high98.5Very high63 Ų6364.6 Ų64.628%0.27633%0.334SS..Hα-helixtrans-62.4-50175.9172.2-106.1000112.2T144 I192 E215 K216 Q221 S222 A223T144-F219 WeakPolarHBondContact O-CE2 3.19Å; I192-F219 HydrophobicContact CD1-CZ 4.25Å; E215-F219 PolarHBondContact O-N 2.74Å; K216-F219 PolarHBondContact O-N 3.32Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 3.01Å; F219-S222 WeakPolarHBondContact O-CB 3.4Å; F219-S222 PolarHBondContact O-N 2.76Å; F219-A223 PolarHBondContact O-N 2.91Å
220L98.8Very high98.5Very high0 Ų062 Ų620%032%0.316CS..Hα-helixtrans-65.6-37.2-177.8-62.3178.2000112.2L128 K216 L217 A223 Y224 M231 R259 L260L128-L220 HydrophobicContact CD2-CB 4.16Å; L128-L220 HydrophobicContact CD2-CD2 3.97Å; L128-L220 HydrophobicContact CD2-CG 4.46Å; K216-L220 HydrophobicContact CD-CD1 4.39Å; K216-L220 HydrophobicContact CG-CD1 3.76Å; K216-L220 HydrophobicContact CG-CG 4.32Å; K216-L220 VanDerWaalsContact O-CG 3.31Å; K216-L220 WeakPolarHBondContact O-CG 3.34Å; K216-L220 PolarHBondContact O-N 3.21Å; L217-L220 PolarHBondContact O-N 3.3Å; L220-A223 PolarHBondContact O-N 2.86Å; L220-Y224 WeakPolarHBondContact O-CB 3.48Å; L220-Y224 PolarHBondContact O-N 2.82Å; L220-M231 HydrophobicContact CD2-CE 3.69Å; L220-M231 HydrophobicContact CD2-SD 3.78Å; L220-R259 HydrophobicContact CD1-CB 4.06Å; L220-R259 WeakPolarHBondContact CD1-O 3.01Å; L220-L260 HydrophobicContact CB-CD2 3.68Å
221Q98.5Very high98.6Very high77 Ų7756.4 Ų56.436%0.3628%0.282SS..Hα-helixtrans-66.2-43.6174.4-176.560.136.800110.9L217 F219 A223 Y224 E225L217-Q221 WeakPolarHBondContact O-CB 3.42Å; L217-Q221 PolarHBondContact O-N 2.96Å; F219-Q221 VanDerWaalsContact C-N 3.34Å; F219-Q221 PolarHBondContact O-N 3.01Å; Q221-A223 VanDerWaalsContact C-N 3.34Å; Q221-A223 PolarHBondContact O-N 3.45Å; Q221-Y224 WeakPolarHBondContact O-CB 3.42Å; Q221-Y224 PolarHBondContact O-N 2.96Å; Q221-E225 WeakPolarHBondContact CG-OE1 3.39Å; Q221-E225 PolarHBondContact NE2-OE1 3.49Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.34Å
222S98.3Very high98.6Very high42 Ų4254.5 Ų54.529%0.29427%0.273SS..Hα-helixtrans-59.3-44.7173.8-173.40000111.6A218 F219 Y224 E225 H226A218-S222 WeakPolarHBondContact O-CB 3.46Å; A218-S222 PolarHBondContact O-N 3.05Å; F219-S222 WeakPolarHBondContact O-CB 3.4Å; F219-S222 PolarHBondContact O-N 2.76Å; S222-Y224 PolarHBondContact O-N 3.36Å; S222-E225 PolarHBondContact O-N 3.46Å; S222-H226 PolarHBondContact O-N 3.31Å; S222-H226 PolarHBondContact O-ND1 2.99Å; S222-H226 PolarHBondContact OG-ND1 3.07Å
223A98.7Very high98.6Very high0 Ų053.9 Ų53.90%027%0.266CS..Hα-helixtrans-60.3-43.6175.100000111.9L128 L146 I192 F219 L220 Q221 E225 H226 G227 I228L128-A223 HydrophobicContact CD1-CB 3.81Å; L146-A223 HydrophobicContact CD2-CB 4.09Å; I192-A223 HydrophobicContact CD1-CB 3.87Å; F219-A223 PolarHBondContact O-N 2.91Å; L220-A223 PolarHBondContact O-N 2.86Å; Q221-A223 VanDerWaalsContact C-N 3.34Å; Q221-A223 PolarHBondContact O-N 3.45Å; A223-E225 PolarHBondContact O-N 2.58Å; A223-H226 CarbonylContact O-C 3.57Å; A223-H226 PolarHBondContact O-N 3.09Å; A223-G227 PolarHBondContact O-N 2.6Å; A223-I228 HydrophobicContact CB-CB 4.16Å; A223-I228 HydrophobicContact CB-CG1 4.14Å; A223-I228 WeakPolarHBondContact O-CB 3.24Å; A223-I228 VanDerWaalsContact O-CG1 3.27Å; A223-I228 WeakPolarHBondContact O-CG1 3.17Å; A223-I228 PolarHBondContact O-N 3.06Å
224Y98.7Very high98.6Very high78 Ų7848.4 Ų48.431%0.30624%0.242SC..Hα-helixtrans-60.3-43176.8177.3-97.7000112.6L128 L220 Q221 S222 H226 G227 R229L128-Y224 HydrophobicContact CB-CD2 4.3Å; L128-Y224 WeakPolarHBondContact O-CD2 3.39Å; L220-Y224 WeakPolarHBondContact O-CB 3.48Å; L220-Y224 PolarHBondContact O-N 2.82Å; Q221-Y224 WeakPolarHBondContact O-CB 3.42Å; Q221-Y224 PolarHBondContact O-N 2.96Å; S222-Y224 PolarHBondContact O-N 3.36Å; Y224-H226 VanDerWaalsContact C-N 3.33Å; Y224-G227 WeakPolarHBondContact O-CA 3.48Å; Y224-G227 PolarHBondContact O-N 2.99Å; Y224-R229 PolarHBondContact O-NH1 3.08Å
225E98.3Very high98.6Very high135 Ų13542.1 Ų42.163%0.63121%0.213SC*.Hα-helixtrans-65.8-34.7175.4-73.2167.8-17000112.3Q221 S222 A223 G227Q221-E225 WeakPolarHBondContact CG-OE1 3.39Å; Q221-E225 PolarHBondContact NE2-OE1 3.49Å; Q221-E225 WeakPolarHBondContact O-CG 3.49Å; Q221-E225 PolarHBondContact O-N 3.34Å; S222-E225 PolarHBondContact O-N 3.46Å; A223-E225 PolarHBondContact O-N 2.58Å; E225-G227 PolarHBondContact O-N 3.24Å; E225-G227 VanDerWaalsContact O-N 3.09Å
226H97.7Very high98.6Very high110 Ų11036.8 Ų36.851%0.50919%0.188SC..THydrogen-bonded Turntrans-72.39169.4-75.585000113.2R140 L146 S222 A223 Y224R140-H226 PolarHBondContact NH2-O 2.93Å; L146-H226 HydrophobicContact CD1-CB 4.11Å; S222-H226 PolarHBondContact O-N 3.31Å; S222-H226 PolarHBondContact O-ND1 2.99Å; S222-H226 PolarHBondContact OG-ND1 3.07Å; A223-H226 CarbonylContact O-C 3.57Å; A223-H226 PolarHBondContact O-N 3.09Å; Y224-H226 VanDerWaalsContact C-N 3.33Å
227G98.5Very high98.6Very high20 Ų2036.2 Ų36.221%0.20619%0.186CC..THydrogen-bonded Turntrans79.613.3175.800000114.9R140 G190 A223 Y224 E225R140-G227 PolarHBondContact NH2-O 3.41Å; G190-G227 PolarHBondContact N-O 3.21Å; A223-G227 PolarHBondContact O-N 2.6Å; Y224-G227 WeakPolarHBondContact O-CA 3.48Å; Y224-G227 PolarHBondContact O-N 2.99Å; E225-G227 PolarHBondContact O-N 3.24Å; E225-G227 VanDerWaalsContact O-N 3.09Å
228I98.8Very high98.6Very high2 Ų233.3 Ų33.31%0.0117%0.171CC..EExtended strand (participates in β ladder)trans-72.7140171.8-53.6-54.8000109.3L128 V142 L146 G190 I192 A223 N230L128-I228 HydrophobicContact CD1-CB 4.13Å; L128-I228 HydrophobicContact CD1-CG2 3.75Å; V142-I228 HydrophobicContact CG2-CD1 3.68Å; L146-I228 HydrophobicContact CD2-CG1 4.13Å; G190-I228 CarbonylContact O-C 3.45Å; G190-I228 WeakPolarHBondContact O-CA 3.38Å; G190-I228 WeakPolarHBondContact O-CG2 3.46Å; I192-I228 HydrophobicContact CD1-CG1 4.33Å; I192-I228 HydrophobicContact CD1-CG2 3.97Å; I192-I228 HydrophobicContact CG1-CD1 4.45Å; I192-I228 HydrophobicContact CG1-CG1 4.21Å; I192-I228 HydrophobicContact CG1-CG2 3.9Å; A223-I228 HydrophobicContact CB-CB 4.16Å; A223-I228 HydrophobicContact CB-CG1 4.14Å; A223-I228 WeakPolarHBondContact O-CB 3.24Å; A223-I228 VanDerWaalsContact O-CG1 3.27Å; A223-I228 WeakPolarHBondContact O-CG1 3.17Å; A223-I228 PolarHBondContact O-N 3.06Å; I228-N230 VanDerWaalsContact CG2-O 3.23Å; I228-N230 WeakPolarHBondContact CG2-O 3.46Å
229R98.8Very high98.6Very high60 Ų6030.2 Ų30.223%0.22615%0.145CC..EExtended strand (participates in β ladder)trans-123.3-13.3178.1-66.1-64.3176.7-92.33.6113.8G127 L128 V136 G190 Y224G127-R229 CarbonylContact C-O 3.59Å; G127-R229 WeakPolarHBondContact CA-O 3.41Å; L128-R229 PolarHBondContact N-O 2.77Å; V136-R229 HydrophobicContact CG1-CB 4.04Å; V136-R229 HydrophobicContact CG2-CB 4.2Å; G190-R229 PolarHBondContact O-N 3.34Å; Y224-R229 PolarHBondContact O-NH1 3.08Å
230N98.9Very high98.6Very high0 Ų027.2 Ų27.20%013%0.132CC..EExtended strand (participates in β ladder)trans-155.3170.6171.470.1-22000113.7S125 G126 V136 T191 I192 I228 T255S125-N230 VanDerWaalsContact CB-ND2 3.33Å; S125-N230 WeakPolarHBondContact CB-ND2 3.48Å; S125-N230 WeakPolarHBondContact OG-CB 3.5Å; S125-N230 PolarHBondContact OG-ND2 2.89Å; G126-N230 CarbonylContact O-C 3.56Å; G126-N230 WeakPolarHBondContact O-CA 3.35Å; G126-N230 WeakPolarHBondContact O-CB 3.37Å; V136-N230 HydrophobicContact CB-CB 4.4Å; V136-N230 HydrophobicContact CG2-CB 4.08Å; T191-N230 WeakPolarHBondContact CA-O 3.36Å; T191-N230 WeakPolarHBondContact CA-OD1 3.31Å; T191-N230 VanDerWaalsContact CB-OD1 3.27Å; T191-N230 WeakPolarHBondContact CB-OD1 3.27Å; T191-N230 WeakPolarHBondContact CG2-OD1 3.3Å; T191-N230 PolarHBondContact OG1-OD1 3.33Å; I192-N230 PolarHBondContact N-O 3.18Å; I192-N230 VanDerWaalsContact N-O 3.07Å; I228-N230 VanDerWaalsContact CG2-O 3.23Å; I228-N230 WeakPolarHBondContact CG2-O 3.46Å; N230-T255 HydrophobicContact CB-CG2 4.23Å
231M98.9Very high98.6Very high1 Ų127.5 Ų27.51%0.00513%0.133CC..EExtended strand (participates in β ladder)trans-135.1135.2177-47.4-169.9-58.600110.5S125 G126 L128 I192 Q201 L220 R259S125-M231 WeakPolarHBondContact CA-O 3.34Å; S125-M231 VanDerWaalsContact CB-O 3.23Å; S125-M231 WeakPolarHBondContact CB-O 3.34Å; G126-M231 PolarHBondContact N-O 3.11Å; G126-M231 PolarHBondContact O-N 3.21Å; L128-M231 HydrophobicContact CD1-CG 4.27Å; L128-M231 HydrophobicContact CD1-SD 4.37Å; L128-M231 HydrophobicContact CG-CG 4.42Å; I192-M231 HydrophobicContact CB-CB 4.25Å; I192-M231 HydrophobicContact CB-CG 3.99Å; I192-M231 HydrophobicContact CD1-CG 4.1Å; I192-M231 HydrophobicContact CD1-SD 3.9Å; I192-M231 CarbonylContact O-C 3.45Å; I192-M231 WeakPolarHBondContact O-CA 3.46Å; Q201-M231 HydrophobicContact CB-CE 3.92Å; Q201-M231 HydrophobicContact CG-CE 4.46Å; L220-M231 HydrophobicContact CD2-CE 3.69Å; L220-M231 HydrophobicContact CD2-SD 3.78Å; M231-R259 HydrophobicContact CE-CB 4.42Å; M231-R259 HydrophobicContact CE-CG 4.08Å
232E98.8Very high98.6Very high6 Ų623.8 Ų23.83%0.02812%0.116CC..EExtended strand (participates in β ladder)trans-148.4-160.1179.854.682.1-120.800109.3R121 T191 I192 A193 A194 E234 G235 L251R121-E232 IonicContact CZ-OE2 3.99Å; R121-E232 IonicContact NE-OE2 3.17Å; R121-E232 PolarHBondContact NE-OE2 2.84Å; R121-E232 IonicContact NH1-OE2 2.75Å; R121-E232 IonicContact NH2-OE2 3.96Å; R121-E232 PolarHBondContact NH2-OE2 2.9Å; T191-E232 HydrophobicContact CG2-CG 3.46Å; T191-E232 VanDerWaalsContact CG2-CG 3.46Å; I192-E232 PolarHBondContact O-N 3.43Å; A193-E232 CarbonylContact C-O 3.39Å; A193-E232 VanDerWaalsContact CA-O 3.31Å; A193-E232 WeakPolarHBondContact CA-O 3.49Å; A193-E232 VanDerWaalsContact CB-OE1 3.26Å; A193-E232 WeakPolarHBondContact CB-OE1 3.46Å; A194-E232 PolarHBondContact N-O 3.36Å; E232-E234 PolarHBondContact OE1-N 2.87Å; E232-E234 PolarHBondContact OE2-N 3.27Å; E232-G235 VanDerWaalsContact OE1-CA 3.32Å; E232-G235 WeakPolarHBondContact OE1-CA 3.38Å; E232-G235 PolarHBondContact OE1-N 3.5Å; E232-G235 PolarHBondContact OE2-N 3.01Å; E232-L251 HydrophobicContact CG-CD2 4.5Å
233M98.8Very high98.5Very high29 Ų2924 Ų2414%0.14311%0.111CC..SBendtrans-135.613.1-166.1-59.9-176.570.200115.4G94 I95 A194 N195 F197G94-M233 CarbonylContact C-O 3.6Å; G94-M233 WeakPolarHBondContact CA-O 3.03Å; I95-M233 WeakPolarHBondContact CG1-O 3.32Å; I95-M233 PolarHBondContact N-O 3.48Å; A194-M233 VanDerWaalsContact O-CA 3.27Å; A194-M233 WeakPolarHBondContact O-CA 3.39Å; A194-M233 VanDerWaalsContact O-CB 3.31Å; A194-M233 WeakPolarHBondContact O-CB 3.44Å; A194-M233 WeakPolarHBondContact O-CG 3.34Å; N195-M233 VanDerWaalsContact O-CE 3.3Å; N195-M233 WeakPolarHBondContact O-CE 3.44Å; F197-M233 HydrophobicContact CB-CE 4.36Å; F197-M233 HydrophobicContact CB-SD 3.92Å; F197-M233 HydrophobicContact CD2-SD 4.13Å
234E98.8Very high98.4Very high11 Ų1125.5 Ų25.55%0.05112%0.118CC..SBendtrans-144.9-12.1-173-62.480.2173.600114.3H91 M93 G94 A98 R121 E232 T236 A237 I238H91-E234 IonicContact CE1-OE1 3.07Å; M93-E234 WeakPolarHBondContact CA-OE1 3.49Å; G94-E234 PolarHBondContact N-OE1 2.66Å; A98-E234 HydrophobicContact CB-CB 4.08Å; A98-E234 HydrophobicContact CB-CG 3.87Å; R121-E234 IonicContact CZ-OE2 2.99Å; R121-E234 IonicContact NH1-OE2 2.88Å; R121-E234 PolarHBondContact NH1-OE2 3.13Å; R121-E234 IonicContact NH2-OE2 2.69Å; R121-E234 PolarHBondContact NH2-OE2 3.36Å; E232-E234 PolarHBondContact OE1-N 2.87Å; E232-E234 PolarHBondContact OE2-N 3.27Å; E234-T236 VanDerWaalsContact C-N 3.34Å; E234-T236 PolarHBondContact O-N 3.44Å; E234-A237 WeakPolarHBondContact O-CB 3.09Å; E234-A237 PolarHBondContact O-N 3.27Å; E234-A237 VanDerWaalsContact O-N 3.11Å; E234-I238 HydrophobicContact CB-CD1 3.95Å; E234-I238 PolarHBondContact O-N 3.13Å
235G98.7Very high98.3Very high0 Ų023.1 Ų23.10%011%0.112CC..Hα-helixtrans-60.6-39.1-170.700000114.2E232 I238 T239 L251E232-G235 VanDerWaalsContact OE1-CA 3.32Å; E232-G235 WeakPolarHBondContact OE1-CA 3.38Å; E232-G235 PolarHBondContact OE1-N 3.5Å; E232-G235 PolarHBondContact OE2-N 3.01Å; G235-I238 PolarHBondContact O-N 3.01Å; G235-T239 WeakPolarHBondContact O-CB 3.21Å; G235-T239 WeakPolarHBondContact O-CG2 3.46Å; G235-T239 PolarHBondContact O-N 3.49Å; G235-T239 PolarHBondContact O-OG1 2.96Å; G235-L251 VanDerWaalsContact CA-CD2 3.48Å
236T98.8Very high98.3Very high1 Ų117.9 Ų17.91%0.0069%0.094CC..Hα-helixtrans-63.8-41.4176.152.80000111.4I95 C141 V142 T163 A193 E234 T239 S240I95-T236 VanDerWaalsContact CD1-OG1 3.31Å; I95-T236 WeakPolarHBondContact CD1-OG1 3.23Å; C141-T236 HydrophobicContact CB-CG2 4.23Å; V142-T236 VanDerWaalsContact C-CG2 3.49Å; V142-T236 WeakPolarHBondContact O-CG2 3.48Å; T163-T236 HydrophobicContact CG2-CG2 3.99Å; A193-T236 HydrophobicContact CB-CG2 3.63Å; A193-T236 WeakPolarHBondContact CB-OG1 3.33Å; E234-T236 VanDerWaalsContact C-N 3.34Å; E234-T236 PolarHBondContact O-N 3.44Å; T236-T239 PolarHBondContact O-OG1 2.82Å; T236-S240 WeakPolarHBondContact O-CB 3.45Å; T236-S240 PolarHBondContact O-N 2.71Å; T236-S240 PolarHBondContact O-OG 2.95Å
237A98.6Very high98.3Very high0 Ų013.5 Ų13.50%07%0.074CC..Hα-helixtrans-63.3-50.6176.600000112I95 L99 L102 E234 S240 H241I95-A237 HydrophobicContact CB-CB 4.34Å; I95-A237 HydrophobicContact CG1-CB 4.09Å; I95-A237 HydrophobicContact CG2-CB 4.01Å; L99-A237 HydrophobicContact CD2-CB 3.93Å; L99-A237 HydrophobicContact CG-CB 3.97Å; L102-A237 HydrophobicContact CD1-CB 4.45Å; E234-A237 WeakPolarHBondContact O-CB 3.09Å; E234-A237 PolarHBondContact O-N 3.27Å; E234-A237 VanDerWaalsContact O-N 3.11Å; A237-S240 PolarHBondContact O-OG 3.43Å; A237-H241 WeakPolarHBondContact O-CB 3.39Å; A237-H241 PolarHBondContact O-N 2.89Å
238I98.8Very high98.3Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-63.1-49.4-176.9-69.6161.9000110.9V44 L102 R121 E234 G235 C242 A249V44-I238 HydrophobicContact CG2-CD1 4.26Å; L102-I238 HydrophobicContact CD1-CB 4.36Å; L102-I238 HydrophobicContact CD1-CG1 3.8Å; L102-I238 HydrophobicContact CD2-CG1 4.26Å; L102-I238 HydrophobicContact CG-CG1 4.42Å; R121-I238 HydrophobicContact CB-CD1 3.97Å; R121-I238 HydrophobicContact CG-CD1 3.75Å; E234-I238 HydrophobicContact CB-CD1 3.95Å; E234-I238 PolarHBondContact O-N 3.13Å; G235-I238 PolarHBondContact O-N 3.01Å; I238-C242 VanDerWaalsContact O-CB 3.31Å; I238-C242 WeakPolarHBondContact O-CB 3.33Å; I238-C242 PolarHBondContact O-N 3.44Å; I238-C242 PolarHBondContact O-SG 3.44Å; I238-A249 HydrophobicContact CG2-CB 4.14Å
239T98.7Very high98.3Very high0 Ų016.4 Ų16.40%08%0.079CC..Hα-helixtrans-69.8-39.1-176.654.10000113C141 T163 I164 V165 G235 T236 Y243 A249 L251C141-T239 HydrophobicContact CB-CG2 4.43Å; T163-T239 VanDerWaalsContact CB-OG1 3.29Å; T163-T239 WeakPolarHBondContact CB-OG1 3.4Å; T163-T239 WeakPolarHBondContact CG2-OG1 3.4Å; I164-T239 WeakPolarHBondContact O-CB 3.36Å; V165-T239 HydrophobicContact CG2-CG2 3.72Å; G235-T239 WeakPolarHBondContact O-CB 3.21Å; G235-T239 WeakPolarHBondContact O-CG2 3.46Å; G235-T239 PolarHBondContact O-N 3.49Å; G235-T239 PolarHBondContact O-OG1 2.96Å; T236-T239 PolarHBondContact O-OG1 2.82Å; T239-Y243 WeakPolarHBondContact O-CB 3.45Å; T239-Y243 PolarHBondContact O-N 2.93Å; T239-A249 HydrophobicContact CG2-CB 4.14Å; T239-L251 HydrophobicContact CG2-CD1 3.49Å; T239-L251 VanDerWaalsContact CG2-CD1 3.49Å
240S98.1Very high98.3Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-72.2-40.4177.365.80000112.7N150 Q162 T236 A237 L244N150-S240 WeakPolarHBondContact CB-OG 3.43Å; N150-S240 PolarHBondContact ND2-OG 3.5Å; Q162-S240 WeakPolarHBondContact O-CA 3.31Å; Q162-S240 VanDerWaalsContact O-CB 3.3Å; Q162-S240 WeakPolarHBondContact O-CB 3.3Å; T236-S240 WeakPolarHBondContact O-CB 3.45Å; T236-S240 PolarHBondContact O-N 2.71Å; T236-S240 PolarHBondContact O-OG 2.95Å; A237-S240 PolarHBondContact O-OG 3.43Å; S240-L244 WeakPolarHBondContact O-CG 3.45Å; S240-L244 PolarHBondContact O-N 2.74Å; S240-L244 VanDerWaalsContact O-N 3.15Å
241H98.1Very high98.3Very high5 Ų513.7 Ų13.72%0.0237%0.069CC..Hα-helixtrans-66.7-49.2179.2-169.599.2000111.2L102 H103 T106 A237 Y243 L244 T245L102-H241 HydrophobicContact CB-CB 4.49Å; L102-H241 HydrophobicContact CD1-CB 4.01Å; L102-H241 PolarHBondContact O-NE2 3.19Å; H103-H241 AromaticContact CD2-CE1 3.79Å; H103-H241 AromaticContact CE1-CE1 3.72Å; H103-H241 AromaticContact CG-CE1 3.78Å; H103-H241 AromaticContact ND1-CE1 3.73Å; H103-H241 AromaticContact NE2-CE1 3.75Å; T106-H241 PolarHBondContact OG1-NE2 2.89Å; A237-H241 WeakPolarHBondContact O-CB 3.39Å; A237-H241 PolarHBondContact O-N 2.89Å; H241-Y243 VanDerWaalsContact C-N 3.3Å; H241-Y243 PolarHBondContact O-N 3.24Å; H241-L244 PolarHBondContact O-N 2.95Å; H241-L244 VanDerWaalsContact O-N 3.16Å; H241-T245 PolarHBondContact O-N 3.39Å; H241-T245 PolarHBondContact O-OG1 2.94Å; H241-T245 VanDerWaalsContact O-OG1 3.1Å
242C98.3Very high98.3Very high0 Ų013.6 Ų13.60%07%0.069CC..Hα-helixtrans-58.2-44.5179-66.90000111.4F119 I238 L244 T245 G246 H247 A249F119-C242 WeakPolarHBondContact CG-SG 3.38Å; I238-C242 VanDerWaalsContact O-CB 3.31Å; I238-C242 WeakPolarHBondContact O-CB 3.33Å; I238-C242 PolarHBondContact O-N 3.44Å; I238-C242 PolarHBondContact O-SG 3.44Å; C242-L244 PolarHBondContact O-N 2.84Å; C242-T245 CarbonylContact O-C 3.4Å; C242-T245 PolarHBondContact O-N 2.96Å; C242-T245 PolarHBondContact O-OG1 2.95Å; C242-G246 PolarHBondContact O-N 3.38Å; C242-G246 VanDerWaalsContact O-N 3.13Å; C242-H247 CarbonylContact C-O 3.49Å; C242-H247 HydrophobicContact CB-CB 4.04Å; C242-H247 CarbonylContact O-C 3.56Å; C242-H247 WeakPolarHBondContact O-CA 3.44Å; C242-H247 PolarHBondContact O-N 3.43Å; C242-A249 HydrophobicContact CB-CB 3.77Å
243Y97.3Very high98.2Very high47 Ų4713.3 Ų13.318%0.1847%0.067CC..Hα-helixtrans-57-47.6176.6178.2-124.8000112.3A2 V4 I164 T239 H241 T245 G246A2-Y243 PolarHBondContact O-OH 2.8Å; V4-Y243 HydrophobicContact CB-CE1 4.33Å; V4-Y243 HydrophobicContact CB-CE2 4.42Å; V4-Y243 HydrophobicContact CG2-CE1 3.92Å; V4-Y243 WeakPolarHBondContact CG2-OH 3.48Å; I164-Y243 HydrophobicContact CB-CD1 4.38Å; I164-Y243 HydrophobicContact CB-CD2 3.89Å; I164-Y243 HydrophobicContact CB-CE2 4.46Å; I164-Y243 HydrophobicContact CB-CG 3.84Å; I164-Y243 HydrophobicContact CG1-CD1 3.56Å; I164-Y243 HydrophobicContact CG1-CD2 3.66Å; I164-Y243 HydrophobicContact CG1-CE1 3.76Å; I164-Y243 HydrophobicContact CG1-CE2 3.86Å; I164-Y243 HydrophobicContact CG1-CG 3.5Å; I164-Y243 VanDerWaalsContact CG1-CG 3.5Å; I164-Y243 HydrophobicContact CG2-CD2 4.23Å; T239-Y243 WeakPolarHBondContact O-CB 3.45Å; T239-Y243 PolarHBondContact O-N 2.93Å; H241-Y243 VanDerWaalsContact C-N 3.3Å; H241-Y243 PolarHBondContact O-N 3.24Å; Y243-T245 VanDerWaalsContact C-N 3.3Å; Y243-T245 PolarHBondContact O-N 3.16Å; Y243-G246 PolarHBondContact O-N 3.48Å
244L96.8Very high98.2Very high30 Ų3012 Ų1216%0.1576%0.061CC..Hα-helixtrans-67-29.7179-69.9-178.6000113.1P6 I7 R161 S240 H241 C242 G246P6-L244 CarbonylContact C-O 3.58Å; P6-L244 WeakPolarHBondContact CA-O 3.39Å; I7-L244 HydrophobicContact CD1-CB 4.35Å; I7-L244 HydrophobicContact CD1-CD1 4.42Å; I7-L244 HydrophobicContact CD1-CD2 3.96Å; I7-L244 HydrophobicContact CD1-CG 4.48Å; I7-L244 PolarHBondContact N-O 3.3Å; R161-L244 HydrophobicContact CB-CD1 4.21Å; R161-L244 VanDerWaalsContact CD-CD1 3.41Å; R161-L244 HydrophobicContact CG-CD1 3.8Å; S240-L244 WeakPolarHBondContact O-CG 3.45Å; S240-L244 PolarHBondContact O-N 2.74Å; S240-L244 VanDerWaalsContact O-N 3.15Å; H241-L244 PolarHBondContact O-N 2.95Å; H241-L244 VanDerWaalsContact O-N 3.16Å; C242-L244 PolarHBondContact O-N 2.84Å; L244-G246 VanDerWaalsContact C-N 3.34Å
245T96.9Very high98.2Very high28 Ų2811.5 Ų11.517%0.1726%0.059CC..THydrogen-bonded Turntrans-90.67.9178.559.30000113.6T106 H241 C242 Y243 H247T106-T245 HydrophobicContact CG2-CG2 4.19Å; H241-T245 PolarHBondContact O-N 3.39Å; H241-T245 PolarHBondContact O-OG1 2.94Å; H241-T245 VanDerWaalsContact O-OG1 3.1Å; C242-T245 CarbonylContact O-C 3.4Å; C242-T245 PolarHBondContact O-N 2.96Å; C242-T245 PolarHBondContact O-OG1 2.95Å; Y243-T245 VanDerWaalsContact C-N 3.3Å; Y243-T245 PolarHBondContact O-N 3.16Å; T245-H247 PolarHBondContact OG1-CD2 2.95Å
246G96.4Very high98.2Very high25 Ų2511.9 Ų11.926%0.2586%0.062SC..THydrogen-bonded Turntrans76.229.617800000114.5C242 Y243 L244C242-G246 PolarHBondContact O-N 3.38Å; C242-G246 VanDerWaalsContact O-N 3.13Å; Y243-G246 PolarHBondContact O-N 3.48Å; L244-G246 VanDerWaalsContact C-N 3.34Å
247H97.9Very high98.1Very high19 Ų1912.3 Ų12.39%0.0886%0.064CC..  trans-121.6159.9179.1-62.7-33.9000110.4V117 F119 C242 T245V117-H247 PolarHBondContact N-ND1 2.83Å; V117-H247 WeakPolarHBondContact O-CB 3.34Å; F119-H247 HydrophobicContact CD2-CB 4.11Å; F119-H247 HydrophobicContact CE2-CB 4.11Å; F119-H247 AromaticContact CE2-CD2 3.79Å; C242-H247 CarbonylContact C-O 3.49Å; C242-H247 HydrophobicContact CB-CB 4.04Å; C242-H247 CarbonylContact O-C 3.56Å; C242-H247 WeakPolarHBondContact O-CA 3.44Å; C242-H247 PolarHBondContact O-N 3.43Å; T245-H247 PolarHBondContact OG1-CD2 2.95Å
248R98.3Very high98.1Very high81 Ų8112.9 Ų12.931%0.3067%0.068SC..EExtended strand (participates in β ladder)trans-98.4150.7177.2-67.7178.8-64.3130.9-2.9109.2D116 V117 L118 F119 D166D116-R248 VanDerWaalsContact OD1-CD 3.31Å; D116-R248 WeakPolarHBondContact OD1-CD 3.44Å; D116-R248 WeakPolarHBondContact OD1-CG 3.39Å; D116-R248 IonicContact OD1-CZ 3.81Å; D116-R248 IonicContact OD1-NE 3.72Å; D116-R248 PolarHBondContact OD1-NE 2.92Å; D116-R248 IonicContact OD2-NE 3.62Å; D116-R248 IonicContact OD2-NH2 3.84Å; V117-R248 PolarHBondContact O-N 3.32Å; L118-R248 HydrophobicContact CD1-CB 3.77Å; F119-R248 PolarHBondContact N-O 3.09Å; D166-R248 HydrophobicContact CB-CB 4.05Å; D166-R248 HydrophobicContact CB-CG 4.42Å; D166-R248 WeakPolarHBondContact OD2-CD 3.48Å; D166-R248 IonicContact OD2-CZ 3.21Å; D166-R248 IonicContact OD2-NE 3.96Å; D166-R248 IonicContact OD2-NH1 3.83Å; D166-R248 PolarHBondContact OD2-NH1 2.88Å
249A98.8Very high98.1Very high2 Ų212.9 Ų12.92%0.0177%0.068CC..EExtended strand (participates in β ladder)trans-140142.6178.300000111.4F119 V165 D166 I238 T239 C242F119-A249 HydrophobicContact CB-CB 4.35Å; F119-A249 CarbonylContact O-C 3.57Å; F119-A249 VanDerWaalsContact O-CA 3.3Å; F119-A249 WeakPolarHBondContact O-CA 3.49Å; V165-A249 WeakPolarHBondContact CA-O 3.41Å; D166-A249 PolarHBondContact N-O 2.92Å; I238-A249 HydrophobicContact CG2-CB 4.14Å; T239-A249 HydrophobicContact CG2-CB 4.14Å; C242-A249 HydrophobicContact CB-CB 3.77Å
250I98.9Very high98.1Very high1 Ų115 Ų151%0.0058%0.078CC..EExtended strand (participates in β ladder)trans-136.3159.9168.459.2154.9000110.8L118 F119 I120 R121 V165 D166 T169 V170 L173 V252L118-I250 HydrophobicContact CD1-CG1 4.36Å; L118-I250 HydrophobicContact CD1-CG2 4.43Å; F119-I250 PolarHBondContact O-N 3.36Å; I120-I250 HydrophobicContact CB-CD1 4.39Å; I120-I250 HydrophobicContact CB-CG1 4.19Å; I120-I250 HydrophobicContact CD1-CD1 4.38Å; I120-I250 HydrophobicContact CG1-CD1 4Å; I120-I250 HydrophobicContact CG1-CG1 3.9Å; I120-I250 HydrophobicContact CG2-CD1 3.84Å; I120-I250 HydrophobicContact CG2-CG1 4.01Å; R121-I250 PolarHBondContact N-O 3.47Å; V165-I250 HydrophobicContact CG1-CG2 4.16Å; D166-I250 HydrophobicContact CB-CG2 4.02Å; D166-I250 WeakPolarHBondContact O-CG2 3.24Å; T169-I250 HydrophobicContact CG2-CD1 3.58Å; T169-I250 HydrophobicContact CG2-CG1 4.2Å; T169-I250 HydrophobicContact CG2-CG2 3.88Å; V170-I250 HydrophobicContact CG2-CB 4.45Å; V170-I250 HydrophobicContact CG2-CG2 3.87Å; L173-I250 HydrophobicContact CD1-CD1 3.23Å; I250-V252 HydrophobicContact CD1-CG2 3.99Å
251L98.9Very high98.1Very high1 Ų122.6 Ų22.61%0.00511%0.114CC..EExtended strand (participates in β ladder)trans-120.2131.7173.7-75.481.8000110.1R121 S138 C141 T191 E232 G235 T239R121-L251 HydrophobicContact CB-CG 4.17Å; S138-L251 PolarHBondContact N-O 3.27Å; S138-L251 VanDerWaalsContact OG-CB 3.24Å; S138-L251 WeakPolarHBondContact OG-CB 3.47Å; C141-L251 WeakPolarHBondContact SG-CD1 3.3Å; T191-L251 HydrophobicContact CG2-CD2 4.35Å; E232-L251 HydrophobicContact CG-CD2 4.5Å; G235-L251 VanDerWaalsContact CA-CD2 3.48Å; T239-L251 HydrophobicContact CG2-CD1 3.49Å; T239-L251 VanDerWaalsContact CG2-CD1 3.49Å
252V98.8Very high98Very high0 Ų023.6 Ų23.60%013%0.125CC..EExtended strand (participates in β ladder)trans-126.599.1174.8-172.80000107.3I120 R121 L122 G123 I135 L137 L173 I250 P279 V283I120-V252 HydrophobicContact CG2-CG2 4.15Å; R121-V252 PolarHBondContact O-N 2.98Å; L122-V252 WeakPolarHBondContact CA-O 3.36Å; G123-V252 PolarHBondContact N-O 2.89Å; G123-V252 VanDerWaalsContact N-O 3.08Å; I135-V252 HydrophobicContact CG2-CG1 3.69Å; L137-V252 HydrophobicContact CD2-CB 4.28Å; L137-V252 HydrophobicContact CD2-CG1 3.84Å; L137-V252 HydrophobicContact CD2-CG2 3.86Å; L173-V252 HydrophobicContact CD1-CG2 4.05Å; I250-V252 HydrophobicContact CD1-CG2 3.99Å; V252-P279 HydrophobicContact CB-CB 4.49Å; V252-P279 HydrophobicContact CG1-CB 3.9Å; V252-V283 HydrophobicContact CB-CG2 4.12Å; V252-V283 HydrophobicContact CG1-CG2 4.14Å; V252-V283 HydrophobicContact CG2-CG2 3.85Å
253C98.7Very high98Very high0 Ų024.5 Ų24.50%013%0.13CC..EExtended strand (participates in β ladder)trans-119138.6-174.8-64.60000111.5G123 I135 V136G123-C253 CarbonylContact O-C 3.56Å; G123-C253 VanDerWaalsContact O-CA 3.24Å; G123-C253 WeakPolarHBondContact O-CA 3.44Å; I135-C253 CarbonylContact C-O 3.55Å; I135-C253 WeakPolarHBondContact CA-O 3.46Å; V136-C253 PolarHBondContact N-O 2.74Å; V136-C253 PolarHBondContact O-N 3.27Å
254V98.4Very high98Very high2 Ų228 Ų281%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-91144.1168.969.10000110.2G123 T124 S125 T134 F275 P279G123-V254 PolarHBondContact O-N 3.37Å; T124-V254 CarbonylContact C-O 3.56Å; T124-V254 WeakPolarHBondContact CA-O 3.44Å; T124-V254 HydrophobicContact CG2-CG1 4.07Å; S125-V254 PolarHBondContact N-O 3.29Å; S125-V254 PolarHBondContact OG-O 2.99Å; S125-V254 VanDerWaalsContact OG-O 3.09Å; T134-V254 CarbonylContact O-C 3.55Å; T134-V254 WeakPolarHBondContact O-CA 3.42Å; V254-F275 WeakPolarHBondContact CG1-O 3.35Å; V254-F275 HydrophobicContact CG2-CB 3.95Å; V254-P279 HydrophobicContact CB-CG 3.88Å; V254-P279 HydrophobicContact CG1-CG 4.14Å
255T98.5Very high97.9Very high0 Ų030.3 Ų30.30%016%0.16CC..EExtended strand (participates in β ladder)trans-87.8134.8175.960.80000111S125 G127 V130 K131 G133 T134 V136 N230S125-T255 CarbonylContact O-C 3.57Å; S125-T255 VanDerWaalsContact O-CA 3.3Å; S125-T255 WeakPolarHBondContact O-CA 3.37Å; G127-T255 VanDerWaalsContact CA-CG2 3.48Å; V130-T255 HydrophobicContact CG2-CG2 3.74Å; K131-T255 PolarHBondContact O-OG1 2.79Å; G133-T255 PolarHBondContact N-O 3.28Å; T134-T255 PolarHBondContact N-OG1 2.78Å; T134-T255 PolarHBondContact O-N 3.34Å; T134-T255 PolarHBondContact O-OG1 3.12Å; V136-T255 HydrophobicContact CG2-CG2 3.91Å; N230-T255 HydrophobicContact CB-CG2 4.23Å
256A97.5Very high97.8Very high8 Ų835.3 Ų35.37%0.06619%0.19CC..EExtended strand (participates in β ladder)trans-98.6-19.8176.900000113.1S125 I265 F272S125-A256 PolarHBondContact O-N 2.73Å; A256-I265 HydrophobicContact CB-CD1 3.85Å; A256-I265 HydrophobicContact CB-CG1 4.12Å; A256-I265 HydrophobicContact CB-CG2 4.43Å; A256-F272 HydrophobicContact CB-CD2 4.23Å; A256-F272 HydrophobicContact CB-CE2 3.9Å
257V97.9Very high97.7Very high10 Ų1035.6 Ų35.66%0.06119%0.186CC..EExtended strand (participates in β ladder)trans-153.1149.8-174.561.40000109.4G127 R259G127-V257 WeakPolarHBondContact CA-O 3.4Å; G127-V257 PolarHBondContact N-O 3.02Å; V257-R259 HydrophobicContact CG1-CG 4.12Å
258N98.3Very high97.6Very high12 Ų1237.4 Ų37.46%0.06420%0.2CC..EExtended strand (participates in β ladder)trans-90.3109163.3-174.64.6000109G129 V130 L260 E261 G262G129-N258 PolarHBondContact N-OD1 3.17Å; G129-N258 VanDerWaalsContact N-OD1 3.1Å; V130-N258 WeakPolarHBondContact O-CB 3.31Å; N258-L260 PolarHBondContact O-N 2.68Å; N258-L260 PolarHBondContact OD1-N 2.81Å; N258-E261 HydrophobicContact CB-CB 4.41Å; N258-E261 HydrophobicContact CB-CG 4.31Å; N258-E261 PolarHBondContact ND2-OE1 3.09Å; N258-E261 PolarHBondContact O-N 2.86Å; N258-G262 PolarHBondContact O-N 3.03Å
259R98.7Very high97.4Very high0 Ų039 Ų390%022%0.219CC..THydrogen-bonded Turntrans-69.4-16.4-173.9-68.7-65.6-52.7-60.5-13.1114.1G127 L128 Q201 G202 R203 L220 M231 V257 E261 G262 D263G127-R259 PolarHBondContact O-N 2.98Å; L128-R259 HydrophobicContact CD2-CB 3.87Å; Q201-R259 VanDerWaalsContact O-CZ 3.23Å; Q201-R259 PolarHBondContact O-NH1 3.15Å; Q201-R259 PolarHBondContact O-NH2 3.2Å; G202-R259 VanDerWaalsContact C-NH2 3.35Å; G202-R259 PolarHBondContact O-NH2 3.33Å; G202-R259 VanDerWaalsContact O-NH2 3.11Å; R203-R259 VanDerWaalsContact CG-NH2 3.28Å; L220-R259 HydrophobicContact CD1-CB 4.06Å; L220-R259 WeakPolarHBondContact CD1-O 3.01Å; M231-R259 HydrophobicContact CE-CB 4.42Å; M231-R259 HydrophobicContact CE-CG 4.08Å; V257-R259 HydrophobicContact CG1-CG 4.12Å; R259-E261 PolarHBondContact O-N 2.92Å; R259-G262 WeakPolarHBondContact CA-O 3.42Å; R259-D263 IonicContact CZ-OD1 2.74Å; R259-D263 IonicContact NE-OD1 2.83Å; R259-D263 PolarHBondContact NE-OD1 3.39Å; R259-D263 IonicContact NH2-OD1 3.37Å; R259-D263 PolarHBondContact NH2-OD1 3.47Å
260L98.2Very high97.2Very high43 Ų4345.2 Ų45.223%0.22525%0.253CS..THydrogen-bonded Turntrans-70.4-18.4169.3-63177000112.4L220 N258L220-L260 HydrophobicContact CB-CD2 3.68Å; N258-L260 PolarHBondContact O-N 2.68Å; N258-L260 PolarHBondContact OD1-N 2.81Å
261E97.6Very high97Very high161 Ų16149.2 Ų49.275%0.75227%0.271SS*.THydrogen-bonded Turntrans-107.2-29.5-177.7-65.4171.9-150.400112.9N258 R259N258-E261 HydrophobicContact CB-CB 4.41Å; N258-E261 HydrophobicContact CB-CG 4.31Å; N258-E261 PolarHBondContact ND2-OE1 3.09Å; N258-E261 PolarHBondContact O-N 2.86Å; R259-E261 PolarHBondContact O-N 2.92Å
262G97.1Very high96.8Very high25 Ų2552.4 Ų52.426%0.25829%0.285SS..  trans-175.7171.1-179.400000114.3N258 R259N258-G262 PolarHBondContact O-N 3.03Å; R259-G262 WeakPolarHBondContact CA-O 3.42Å
263D98.1Very high96.5Very high19 Ų1955.8 Ų55.810%0.10231%0.306CS..SBendtrans-100.9-34.3179.9-68.6-35.5000113.9R203 L204 D205 K216 R259R203-D263 HydrophobicContact CB-CB 4.42Å; R203-D263 HydrophobicContact CG-CB 4.17Å; R203-D263 PolarHBondContact NE-O 3.21Å; R203-D263 PolarHBondContact NH2-O 2.86Å; L204-D263 PolarHBondContact N-OD2 2.88Å; D205-D263 VanDerWaalsContact OD2-CB 3.26Å; D205-D263 WeakPolarHBondContact OD2-CB 3.41Å; K216-D263 VanDerWaalsContact CE-OD1 3.26Å; K216-D263 WeakPolarHBondContact CE-OD1 3.11Å; K216-D263 IonicContact NZ-OD1 2.64Å; K216-D263 PolarHBondContact NZ-OD1 3.25Å; K216-D263 IonicContact NZ-OD2 2.75Å; K216-D263 PolarHBondContact NZ-OD2 3.41Å; R259-D263 IonicContact CZ-OD1 2.74Å; R259-D263 IonicContact NE-OD1 2.83Å; R259-D263 PolarHBondContact NE-OD1 3.39Å; R259-D263 IonicContact NH2-OD1 3.37Å; R259-D263 PolarHBondContact NH2-OD1 3.47Å
264Q97.3Very high96.3Very high122 Ų12259.1 Ų59.157%0.5732%0.323SS*.SBendtrans-81.4143.1-177.4-68.3-74.2-3300111.3D205 T266D205-Q264 PolarHBondContact OD2-NE2 2.98Å; Q264-T266 PolarHBondContact O-N 3.48Å
265I94.5Very high96.1Very high78 Ų7860 Ų6040%0.433%0.327SS..  trans-81.5111.4174.2-60.2171.8000107.4A256 I267 F272A256-I265 HydrophobicContact CB-CD1 3.85Å; A256-I265 HydrophobicContact CB-CG1 4.12Å; A256-I265 HydrophobicContact CB-CG2 4.43Å; I265-I267 HydrophobicContact CG2-CD1 4.26Å; I265-I267 HydrophobicContact CG2-CG1 3.59Å; I265-F272 HydrophobicContact CD1-CE2 4.14Å; I265-F272 HydrophobicContact CG2-CD2 4.28Å
266T94.8Very high95.8Very high132 Ų13260.8 Ų60.881%0.8133%0.334SS*.  trans-104.5-3.5-176.353.80000114.1Q264Q264-T266 PolarHBondContact O-N 3.48Å
267I94.5Very high95.6Very high32 Ų3265.4 Ų65.416%0.16435%0.354CS..SBendtrans-68.1155.7172.562.2174.1000110.8P132 I265 E271 F272 F275P132-I267 HydrophobicContact CB-CG2 4.03Å; P132-I267 HydrophobicContact CG-CG2 4.39Å; I265-I267 HydrophobicContact CG2-CD1 4.26Å; I265-I267 HydrophobicContact CG2-CG1 3.59Å; I267-E271 HydrophobicContact CB-CB 4.17Å; I267-E271 HydrophobicContact CD1-CB 4.38Å; I267-F272 HydrophobicContact CD1-CB 4.02Å; I267-F272 HydrophobicContact CD1-CD2 4.18Å; I267-F272 HydrophobicContact CG1-CB 4.35Å; I267-F275 HydrophobicContact CD1-CD2 3.56Å; I267-F275 HydrophobicContact CD1-CE2 3.68Å; I267-F275 HydrophobicContact CG2-CE2 4.46Å
268S95.9Very high95.5Very high56 Ų5666.1 Ų66.139%0.39236%0.356SS..  trans-66.4159.3178.264.10000112.6D270 E271 F272S268-D270 PolarHBondContact O-N 2.74Å; S268-E271 WeakPolarHBondContact CB-OE2 3.18Å; S268-E271 PolarHBondContact N-OE2 3.41Å; S268-E271 PolarHBondContact O-N 2.75Å; S268-E271 WeakPolarHBondContact OG-CB 3.32Å; S268-E271 WeakPolarHBondContact OG-CG 3.4Å; S268-E271 PolarHBondContact OG-N 3.11Å; S268-E271 PolarHBondContact OG-OE2 3.04Å; S268-F272 PolarHBondContact O-N 2.87Å
269T93.5Very high95.4Very high115 Ų11565.7 Ų65.771%0.70635%0.353SS*.Hα-helixtrans-57.6-37.4174.7-54.70000112.3F272 T273T269-F272 PolarHBondContact O-N 3.23Å; T269-T273 WeakPolarHBondContact O-CB 3.38Å; T269-T273 PolarHBondContact O-N 3.38Å; T269-T273 PolarHBondContact O-OG1 3.47Å
270D95.7Very high95.3Very high133 Ų13366.4 Ų66.471%0.71136%0.36SS*.Hα-helixtrans-68.9-44179.1-67.9-16.7000111S268 T273 L274S268-D270 PolarHBondContact O-N 2.74Å; D270-T273 PolarHBondContact O-N 3.4Å; D270-L274 WeakPolarHBondContact O-CB 3.44Å; D270-L274 PolarHBondContact O-N 2.81Å
271E94.5Very high95.1Very high85 Ų8569 Ų6940%0.39737%0.371SS..Hα-helixtrans-61.5-45173.2-75.3171.7114.500111.7I267 S268 T273 L274 F275I267-E271 HydrophobicContact CB-CB 4.17Å; I267-E271 HydrophobicContact CD1-CB 4.38Å; S268-E271 WeakPolarHBondContact CB-OE2 3.18Å; S268-E271 PolarHBondContact N-OE2 3.41Å; S268-E271 PolarHBondContact O-N 2.75Å; S268-E271 WeakPolarHBondContact OG-CB 3.32Å; S268-E271 WeakPolarHBondContact OG-CG 3.4Å; S268-E271 PolarHBondContact OG-N 3.11Å; S268-E271 PolarHBondContact OG-OE2 3.04Å; E271-T273 VanDerWaalsContact C-N 3.31Å; E271-T273 PolarHBondContact O-N 2.85Å; E271-L274 PolarHBondContact O-N 3.1Å; E271-F275 HydrophobicContact CB-CE1 4.39Å; E271-F275 HydrophobicContact CB-CE2 4.39Å; E271-F275 HydrophobicContact CB-CZ 4.15Å; E271-F275 HydrophobicContact CG-CZ 4.49Å; E271-F275 WeakPolarHBondContact O-CB 3.09Å; E271-F275 WeakPolarHBondContact O-CD1 3.27Å; E271-F275 WeakPolarHBondContact O-CG 3.33Å; E271-F275 PolarHBondContact O-N 2.74Å
272F94.1Very high95.1Very high68 Ų6861.3 Ų61.330%0.29834%0.335SS..Hα-helixtrans-60.3-43.5177.5-175.2-91.3000111.4T124 A256 I265 I267 S268 T269 F275 A276T124-F272 HydrophobicContact CG2-CZ 4.26Å; A256-F272 HydrophobicContact CB-CD2 4.23Å; A256-F272 HydrophobicContact CB-CE2 3.9Å; I265-F272 HydrophobicContact CD1-CE2 4.14Å; I265-F272 HydrophobicContact CG2-CD2 4.28Å; I267-F272 HydrophobicContact CD1-CB 4.02Å; I267-F272 HydrophobicContact CD1-CD2 4.18Å; I267-F272 HydrophobicContact CG1-CB 4.35Å; S268-F272 PolarHBondContact O-N 2.87Å; T269-F272 PolarHBondContact O-N 3.23Å; F272-F275 PolarHBondContact O-N 2.76Å; F272-A276 WeakPolarHBondContact O-CB 3.35Å; F272-A276 PolarHBondContact O-N 2.9Å
273T93.1Very high95.1Very high70 Ų7060.1 Ų60.143%0.42932%0.323SS..Hα-helixtrans-61.9-45.5177.4-60.70000111.3T269 D270 E271 Q277T269-T273 WeakPolarHBondContact O-CB 3.38Å; T269-T273 PolarHBondContact O-N 3.38Å; T269-T273 PolarHBondContact O-OG1 3.47Å; D270-T273 PolarHBondContact O-N 3.4Å; E271-T273 VanDerWaalsContact C-N 3.31Å; E271-T273 PolarHBondContact O-N 2.85Å; T273-Q277 WeakPolarHBondContact O-CG 3.25Å
274L93.8Very high95.1Very high71 Ų7159.3 Ų59.337%0.37232%0.319SS..Hα-helixtrans-61.5-47.5175.4176.763000111.3D270 E271 A276 Q277D270-L274 WeakPolarHBondContact O-CB 3.44Å; D270-L274 PolarHBondContact O-N 2.81Å; E271-L274 PolarHBondContact O-N 3.1Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.74Å; L274-Q277 PolarHBondContact O-N 2.94Å; L274-Q277 VanDerWaalsContact O-N 3.17Å
275F95.1Very high95Very high19 Ų1956.3 Ų56.38%0.08331%0.305CS..Hα-helixtrans-63.1-42.9-177.3-68.31.8000110.9P132 V254 I267 E271 F272 Q277 R278 P279P132-F275 HydrophobicContact CB-CE2 4.02Å; V254-F275 WeakPolarHBondContact CG1-O 3.35Å; V254-F275 HydrophobicContact CG2-CB 3.95Å; I267-F275 HydrophobicContact CD1-CD2 3.56Å; I267-F275 HydrophobicContact CD1-CE2 3.68Å; I267-F275 HydrophobicContact CG2-CE2 4.46Å; E271-F275 HydrophobicContact CB-CE1 4.39Å; E271-F275 HydrophobicContact CB-CE2 4.39Å; E271-F275 HydrophobicContact CB-CZ 4.15Å; E271-F275 HydrophobicContact CG-CZ 4.49Å; E271-F275 WeakPolarHBondContact O-CB 3.09Å; E271-F275 WeakPolarHBondContact O-CD1 3.27Å; E271-F275 WeakPolarHBondContact O-CG 3.33Å; E271-F275 PolarHBondContact O-N 2.74Å; F272-F275 PolarHBondContact O-N 2.76Å; F275-Q277 PolarHBondContact O-N 3.43Å; F275-Q277 VanDerWaalsContact O-N 3.09Å; F275-R278 VanDerWaalsContact CE1-CZ 3.44Å; F275-R278 VanDerWaalsContact CE1-NH2 3.32Å; F275-R278 WeakPolarHBondContact O-CB 3.36Å; F275-R278 PolarHBondContact O-N 2.92Å; F275-P279 WeakPolarHBondContact O-CD 3.5Å
276A92.4Very high95.1Very high18 Ų1853 Ų5315%0.14929%0.288CS..Hα-helixtrans-60.1-20178.600000113.9F272 L274F272-A276 WeakPolarHBondContact O-CB 3.35Å; F272-A276 PolarHBondContact O-N 2.9Å; L274-A276 VanDerWaalsContact C-N 3.34Å; L274-A276 PolarHBondContact O-N 2.74Å
277Q92.9Very high95.3Very high104 Ų10446.8 Ų46.849%0.48625%0.249SC..Hα-helixtrans-86.6-22.8176.4-65.1174.210.200113.4T273 L274 F275 G280 Q281T273-Q277 WeakPolarHBondContact O-CG 3.25Å; L274-Q277 PolarHBondContact O-N 2.94Å; L274-Q277 VanDerWaalsContact O-N 3.17Å; F275-Q277 PolarHBondContact O-N 3.43Å; F275-Q277 VanDerWaalsContact O-N 3.09Å; Q277-G280 PolarHBondContact O-N 3.28Å; Q277-Q281 PolarHBondContact O-N 3.41Å; Q277-Q281 VanDerWaalsContact O-N 3.13Å
278R94.9Very high95.3Very high26 Ų2649.7 Ų49.710%0.09826%0.261CS..Hα-helixtrans-56.2-43-174.4-66.2178.3170172-1.2114G133 I135 F275 G280 Q281 L282G133-R278 VanDerWaalsContact C-NH1 3.33Å; G133-R278 PolarHBondContact O-NH1 3.21Å; I135-R278 HydrophobicContact CD1-CB 3.97Å; I135-R278 HydrophobicContact CG1-CB 4.17Å; F275-R278 VanDerWaalsContact CE1-CZ 3.44Å; F275-R278 VanDerWaalsContact CE1-NH2 3.32Å; F275-R278 WeakPolarHBondContact O-CB 3.36Å; F275-R278 PolarHBondContact O-N 2.92Å; R278-G280 VanDerWaalsContact C-N 3.29Å; R278-G280 PolarHBondContact O-N 2.9Å; R278-Q281 PolarHBondContact O-N 2.77Å; R278-L282 PolarHBondContact O-N 3.34Å
279P97Very high95.2Very high3 Ų353.7 Ų53.72%0.01927%0.268CS..Hα-helixtrans-57.1-43174.2-28.238.1000112.6L122 V252 V254 F275 Q281 L282 V283L122-P279 HydrophobicContact CB-CB 4.3Å; L122-P279 HydrophobicContact CD2-CB 4.12Å; V252-P279 HydrophobicContact CB-CB 4.49Å; V252-P279 HydrophobicContact CG1-CB 3.9Å; V254-P279 HydrophobicContact CB-CG 3.88Å; V254-P279 HydrophobicContact CG1-CG 4.14Å; F275-P279 WeakPolarHBondContact O-CD 3.5Å; P279-Q281 PolarHBondContact O-N 3.24Å; P279-L282 PolarHBondContact O-N 2.8Å; P279-V283 WeakPolarHBondContact O-CB 3.05Å; P279-V283 VanDerWaalsContact O-CG2 3.23Å; P279-V283 WeakPolarHBondContact O-CG2 3.33Å; P279-V283 PolarHBondContact O-N 2.64Å
280G96.1Very high95.3Very high14 Ų1451 Ų5114%0.14425%0.249CC..Hα-helixtrans-66-35.5-179.700000112.9F54 Q277 R278 G284F54-G280 WeakPolarHBondContact CE2-O 3.48Å; Q277-G280 PolarHBondContact O-N 3.28Å; R278-G280 VanDerWaalsContact C-N 3.29Å; R278-G280 PolarHBondContact O-N 2.9Å; G280-G284 WeakPolarHBondContact O-CA 3.47Å; G280-G284 PolarHBondContact O-N 3.39Å
281Q94.6Very high95.2Very high97 Ų9749.8 Ų49.845%0.45324%0.242SC..Hα-helixtrans-63.1-49.6175.8-67.5171.9-1900111.6Q277 R278 P279 G284 E285Q277-Q281 PolarHBondContact O-N 3.41Å; Q277-Q281 VanDerWaalsContact O-N 3.13Å; R278-Q281 PolarHBondContact O-N 2.77Å; P279-Q281 PolarHBondContact O-N 3.24Å; Q281-G284 PolarHBondContact O-N 3.26Å; Q281-E285 PolarHBondContact O-N 2.75Å
282L97Very high95Very high0 Ų045.8 Ų45.80%022%0.223CC..Hα-helixtrans-64.9-46.1178.6176.260.9000111.7I135 L137 L173 L176 L180 L182 V186 R278 P279 G284 E285 Y286I135-L282 HydrophobicContact CD1-CB 4.39Å; I135-L282 HydrophobicContact CD1-CD2 4.24Å; I135-L282 HydrophobicContact CG2-CD2 4.48Å; L137-L282 HydrophobicContact CD2-CD2 4.24Å; L173-L282 HydrophobicContact CD2-CD1 4.19Å; L173-L282 HydrophobicContact CD2-CD2 4.25Å; L173-L282 HydrophobicContact CD2-CG 3.8Å; L176-L282 HydrophobicContact CD2-CD1 4.12Å; L176-L282 HydrophobicContact CG-CD1 4.08Å; L180-L282 HydrophobicContact CD1-CD1 3.95Å; L182-L282 HydrophobicContact CD1-CD1 4.46Å; V186-L282 HydrophobicContact CG1-CD2 4.27Å; R278-L282 PolarHBondContact O-N 3.34Å; P279-L282 PolarHBondContact O-N 2.8Å; L282-G284 VanDerWaalsContact C-N 3.34Å; L282-G284 PolarHBondContact O-N 2.97Å; L282-E285 PolarHBondContact O-N 3.4Å; L282-Y286 PolarHBondContact O-N 2.96Å; L282-Y286 VanDerWaalsContact O-N 3.15Å
283V97.8Very high94.9Very high0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-66.4-37179.2173.60000111.1F54 I120 L122 V252 P279 E285 Y286 L287F54-V283 HydrophobicContact CE1-CG1 4.17Å; F54-V283 HydrophobicContact CZ-CB 4.15Å; F54-V283 HydrophobicContact CZ-CG1 3.87Å; I120-V283 HydrophobicContact CD1-CG1 3.92Å; I120-V283 HydrophobicContact CG2-CG1 3.94Å; I120-V283 HydrophobicContact CG2-CG2 3.84Å; L122-V283 HydrophobicContact CD2-CB 4.03Å; L122-V283 HydrophobicContact CD2-CG1 4.36Å; L122-V283 HydrophobicContact CD2-CG2 4Å; V252-V283 HydrophobicContact CB-CG2 4.12Å; V252-V283 HydrophobicContact CG1-CG2 4.14Å; V252-V283 HydrophobicContact CG2-CG2 3.85Å; P279-V283 WeakPolarHBondContact O-CB 3.05Å; P279-V283 VanDerWaalsContact O-CG2 3.23Å; P279-V283 WeakPolarHBondContact O-CG2 3.33Å; P279-V283 PolarHBondContact O-N 2.64Å; V283-E285 PolarHBondContact O-N 3.16Å; V283-Y286 WeakPolarHBondContact O-CB 3.12Å; V283-Y286 PolarHBondContact O-N 3.07Å; V283-Y286 VanDerWaalsContact O-N 3.14Å; V283-L287 HydrophobicContact CG1-CD1 3.82Å; V283-L287 HydrophobicContact CG1-CG 4.03Å; V283-L287 VanDerWaalsContact O-CG 3.27Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 3.44Å
284G97Very high94.6Very high2 Ų243.1 Ų43.12%0.02121%0.209CC..Hα-helixtrans-59-44.7176.300000112.6G280 Q281 L282 Y286 L287 K288G280-G284 WeakPolarHBondContact O-CA 3.47Å; G280-G284 PolarHBondContact O-N 3.39Å; Q281-G284 PolarHBondContact O-N 3.26Å; L282-G284 VanDerWaalsContact C-N 3.34Å; L282-G284 PolarHBondContact O-N 2.97Å; G284-Y286 VanDerWaalsContact C-N 3.33Å; G284-Y286 PolarHBondContact O-N 2.64Å; G284-L287 PolarHBondContact O-N 3.46Å; G284-K288 WeakPolarHBondContact O-CB 3.26Å; G284-K288 PolarHBondContact O-N 3.39Å
285E95.7Very high93.6Very high59 Ų5944.7 Ų44.728%0.27622%0.221SC..Hα-helixtrans-63.9-38173.9-73.7-59133.900112.4L176 L180 Q281 L282 V283 R289L176-E285 HydrophobicContact CD2-CB 4.03Å; L180-E285 HydrophobicContact CD1-CB 4.14Å; L180-E285 HydrophobicContact CD1-CG 4.1Å; L180-E285 HydrophobicContact CD2-CG 4.35Å; Q281-E285 PolarHBondContact O-N 2.75Å; L282-E285 PolarHBondContact O-N 3.4Å; V283-E285 PolarHBondContact O-N 3.16Å; E285-R289 WeakPolarHBondContact O-CG 3.48Å; E285-R289 PolarHBondContact O-N 2.93Å; E285-R289 VanDerWaalsContact O-N 3.15Å
286Y97.4Very high92.9Very high10 Ų1052.6 Ų52.64%0.03925%0.251CS..Hα-helixtrans-64.5-46.8175.1177.2-91.6000112F41 L118 I120 T169 E172 L173 L282 V283 G284 K288 R289 N290F41-Y286 HydrophobicContact CE1-CE1 4.12Å; L118-Y286 HydrophobicContact CD2-CE1 3.92Å; I120-Y286 HydrophobicContact CD1-CD1 4.36Å; I120-Y286 HydrophobicContact CD1-CE1 4.45Å; T169-Y286 HydrophobicContact CG2-CE1 4.26Å; T169-Y286 HydrophobicContact CG2-CE2 4.27Å; E172-Y286 HydrophobicContact CB-CE2 4.09Å; E172-Y286 PolarHBondContact OE2-OH 3.18Å; L173-Y286 HydrophobicContact CD2-CD2 3.97Å; L173-Y286 HydrophobicContact CD2-CG 3.85Å; L173-Y286 HydrophobicContact CG-CD2 3.86Å; L173-Y286 HydrophobicContact CG-CE2 4.4Å; L173-Y286 HydrophobicContact CG-CG 4.11Å; L282-Y286 PolarHBondContact O-N 2.96Å; L282-Y286 VanDerWaalsContact O-N 3.15Å; V283-Y286 WeakPolarHBondContact O-CB 3.12Å; V283-Y286 PolarHBondContact O-N 3.07Å; V283-Y286 VanDerWaalsContact O-N 3.14Å; G284-Y286 VanDerWaalsContact C-N 3.33Å; G284-Y286 PolarHBondContact O-N 2.64Å; Y286-K288 VanDerWaalsContact C-N 3.32Å; Y286-K288 PolarHBondContact O-N 2.83Å; Y286-R289 PolarHBondContact O-N 3.46Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.41Å; Y286-N290 HydrophobicContact CE1-CB 4.43Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.26Å; Y286-N290 WeakPolarHBondContact O-CB 3.41Å; Y286-N290 PolarHBondContact O-N 2.93Å; Y286-N290 PolarHBondContact O-ND2 2.89Å
287L97.7Very high92.9Very high0 Ų054.4 Ų54.40%026%0.256CS..Hα-helixtrans-61.6-41.5178.3-69.3171000111.1F41 F54 M58 I86 I120 V283 G284 R289 N290 N291 G292F41-L287 HydrophobicContact CB-CD2 3.76Å; F41-L287 HydrophobicContact CD1-CD2 3.59Å; F41-L287 HydrophobicContact CD2-CD2 3.84Å; F41-L287 HydrophobicContact CE1-CD2 4.14Å; F41-L287 HydrophobicContact CE2-CD2 4.36Å; F41-L287 HydrophobicContact CG-CD2 3.42Å; F41-L287 VanDerWaalsContact CG-CD2 3.42Å; F41-L287 HydrophobicContact CZ-CD2 4.49Å; F54-L287 HydrophobicContact CE1-CD1 4.33Å; F54-L287 HydrophobicContact CZ-CD1 3.97Å; M58-L287 HydrophobicContact SD-CD1 4.29Å; I86-L287 HydrophobicContact CD1-CB 4.26Å; I86-L287 HydrophobicContact CD1-CD1 3.95Å; I86-L287 HydrophobicContact CD1-CD2 4.41Å; I86-L287 HydrophobicContact CD1-CG 4.44Å; I86-L287 HydrophobicContact CG1-CD1 4.48Å; I86-L287 HydrophobicContact CG1-CD2 4.29Å; I120-L287 HydrophobicContact CD1-CD2 4.12Å; V283-L287 HydrophobicContact CG1-CD1 3.82Å; V283-L287 HydrophobicContact CG1-CG 4.03Å; V283-L287 VanDerWaalsContact O-CG 3.27Å; V283-L287 WeakPolarHBondContact O-CG 3.29Å; V283-L287 PolarHBondContact O-N 3.44Å; G284-L287 PolarHBondContact O-N 3.46Å; L287-R289 VanDerWaalsContact C-N 3.34Å; L287-R289 PolarHBondContact O-N 3.32Å; L287-N290 CarbonylContact O-C 3.58Å; L287-N290 PolarHBondContact O-N 3.46Å; L287-N291 PolarHBondContact O-N 3.26Å; L287-G292 WeakPolarHBondContact O-CA 3.38Å; L287-G292 PolarHBondContact O-N 3.31Å
288K94.4Very high92.9Very high93 Ų9351.7 Ų51.740%0.40424%0.244SC..Hα-helixtrans-58.8-42.9174.9-179.9177.5176.7-174.30112.6G284 Y286 N290 I293G284-K288 WeakPolarHBondContact O-CB 3.26Å; G284-K288 PolarHBondContact O-N 3.39Å; Y286-K288 VanDerWaalsContact C-N 3.32Å; Y286-K288 PolarHBondContact O-N 2.83Å; K288-N290 VanDerWaalsContact C-N 3.33Å; K288-I293 HydrophobicContact CB-CD1 4.09Å; K288-I293 HydrophobicContact CB-CG1 4.36Å; K288-I293 HydrophobicContact CG-CD1 4.1Å
289R94.2Very high92.8Very high141 Ų14153.2 Ų53.253%0.53225%0.252SS..Hα-helixtrans-73.6-23.5179.8-69.5177.8-174.1-1503.5113.7L176 E285 Y286 L287L176-R289 VanDerWaalsContact CD1-NH1 3.35Å; E285-R289 WeakPolarHBondContact O-CG 3.48Å; E285-R289 PolarHBondContact O-N 2.93Å; E285-R289 VanDerWaalsContact O-N 3.15Å; Y286-R289 PolarHBondContact O-N 3.46Å; L287-R289 VanDerWaalsContact C-N 3.34Å; L287-R289 PolarHBondContact O-N 3.32Å
290N95.9Very high92.6Very high58 Ų5856.1 Ų56.131%0.3127%0.265SS..THydrogen-bonded Turntrans-108.826.7-174.7-70.2-76.4000113.3F41 Y286 L287 K288 G292F41-N290 HydrophobicContact CE1-CB 4.48Å; F41-N290 WeakPolarHBondContact CE2-O 3.3Å; F41-N290 HydrophobicContact CZ-CB 3.82Å; F41-N290 WeakPolarHBondContact CZ-O 3.39Å; Y286-N290 WeakPolarHBondContact CD2-ND2 3.41Å; Y286-N290 HydrophobicContact CE1-CB 4.43Å; Y286-N290 WeakPolarHBondContact CE2-ND2 3.26Å; Y286-N290 WeakPolarHBondContact O-CB 3.41Å; Y286-N290 PolarHBondContact O-N 2.93Å; Y286-N290 PolarHBondContact O-ND2 2.89Å; L287-N290 CarbonylContact O-C 3.58Å; L287-N290 PolarHBondContact O-N 3.46Å; K288-N290 VanDerWaalsContact C-N 3.33Å; N290-G292 VanDerWaalsContact C-N 3.28Å; N290-G292 PolarHBondContact O-N 2.81Å
291N93.3Very high92.4Very high108 Ų10858.8 Ų58.858%0.57827%0.273SS*.THydrogen-bonded Turntrans56.937.8177.6-52.3-46000113.3H85 L287H85-N291 PolarHBondContact CD2-O 3.22Å; H85-N291 VanDerWaalsContact CD2-O 3.27Å; L287-N291 PolarHBondContact O-N 3.26Å
292G90.6Very high92.2Very high0 Ų056.2 Ų56.20%026%0.261CS..SBendtrans-72.4-36.7167.300000111.6H85 I86 L287 N290H85-G292 PolarHBondContact N-O 2.81Å; H85-G292 VanDerWaalsContact N-O 3.14Å; I86-G292 WeakPolarHBondContact CD1-O 3.21Å; I86-G292 WeakPolarHBondContact CG1-O 3.46Å; L287-G292 WeakPolarHBondContact O-CA 3.38Å; L287-G292 PolarHBondContact O-N 3.31Å; N290-G292 VanDerWaalsContact C-N 3.28Å; N290-G292 PolarHBondContact O-N 2.81Å
293I91.5Very high91.9Very high7 Ų760.2 Ų60.24%0.03628%0.28CS..SBendtrans-112.7147.5174.658.3174.1000110.7M58 L61 A62 V83 I86 K288M58-I293 HydrophobicContact CB-CG2 4.4Å; L61-I293 HydrophobicContact CB-CD1 3.8Å; A62-I293 HydrophobicContact CB-CB 4.08Å; A62-I293 HydrophobicContact CB-CG2 4.15Å; V83-I293 HydrophobicContact CG1-CG2 4.34Å; I86-I293 HydrophobicContact CD1-CG2 3.8Å; K288-I293 HydrophobicContact CB-CD1 4.09Å; K288-I293 HydrophobicContact CB-CG1 4.36Å; K288-I293 HydrophobicContact CG-CD1 4.1Å
294I86.9Confident91.4Very high75 Ų7564.8 Ų64.839%0.38530%0.301SS..  trans-95.2108.3173-58.4170.4000106.4D84 R296D84-I294 HydrophobicContact CB-CD1 4.37Å; D84-I294 HydrophobicContact CB-CG1 4.18Å; D84-I294 PolarHBondContact OD2-N 2.87Å; I294-R296 PolarHBondContact O-N 2.68Å; I294-R296 PolarHBondContact O-NH1 2.77Å
295V74Confident91Very high105 Ų10570.1 Ų70.164%0.63633%0.325SS*.  trans-70.8117.2176-176.10000108
296R79.9Confident90.5Very high185 Ų18571.1 Ų71.170%0.69833%0.329SS*.  trans-100.10-179.6-65.5172.8-178.879.73.7111.1A62 L64 D84 I294A62-R296 PolarHBondContact O-NH1 2.92Å; L64-R296 VanDerWaalsContact CD2-CZ 3.46Å; D84-R296 IonicContact OD1-CZ 3.85Å; D84-R296 IonicContact OD1-NH1 3.29Å; D84-R296 PolarHBondContact OD1-NH1 2.82Å; D84-R296 IonicContact OD1-NH2 2.73Å; D84-R296 PolarHBondContact OD1-NH2 2.89Å; D84-R296 IonicContact OD2-NH1 2.72Å; D84-R296 PolarHBondContact OD2-NH1 2.83Å; D84-R296 IonicContact OD2-NH2 2.77Å; I294-R296 PolarHBondContact O-N 2.68Å; I294-R296 PolarHBondContact O-NH1 2.77Å

Retrieved 296 of 296 residues in 253.7 ms (Link to these results)

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