A0A087XGV5_POEFO Loading...

Ribonucleoside-diphosphate reductase

Provides the precursors necessary for DNA synthesis. Catalyzes the biosynthesis of deoxyribonucleotides from the corresponding ribonucleotides.

AlphaFold DB , UniProt , Accession A0A087XGV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 793 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M79.3Confident88.1Confident118 Ų11886.8 Ų86.858%0.58142%0.42SS*.  0136.40-73.9-173.7-77.700108.5V13M1-V13 HydrophobicContact CB-CB 4.41Å; M1-V13 HydrophobicContact CB-CG2 3.81Å; M1-V13 WeakPolarHBondContact O-CG2 3.24Å; M1-V13 PolarHBondContact O-N 3.28Å
2H87.1Confident88.1Confident84 Ų8484.3 Ų84.339%0.38943%0.425SS..EExtended strand (participates in β ladder)trans-119.2150.7177.8-60.5-79.5000110.6E11 A12 S49 G50H2-E11 CarbonylContact C-O 3.51Å; H2-E11 VanDerWaalsContact CA-O 3.24Å; H2-E11 WeakPolarHBondContact CA-O 2.8Å; H2-A12 WeakPolarHBondContact ND1-CA 3.23Å; H2-S49 PolarHBondContact N-OG 3.08Å; H2-G50 PolarHBondContact O-N 3.25Å
3V89.3Confident88Confident9 Ų980.7 Ų80.76%0.05541%0.409CS..EExtended strand (participates in β ladder)trans-111.3147.4171-57.10000110E10 E11 V13 V51 T53V3-E10 WeakPolarHBondContact O-CA 3.36Å; V3-E11 HydrophobicContact CG2-CB 4.38Å; V3-E11 PolarHBondContact N-O 2.93Å; V3-E11 PolarHBondContact O-N 3.28Å; V3-V13 HydrophobicContact CG1-CG2 3.62Å; V3-V51 CarbonylContact C-O 3.54Å; V3-V51 VanDerWaalsContact CA-O 3.27Å; V3-V51 WeakPolarHBondContact CA-O 3.48Å; V3-V51 HydrophobicContact CB-CG1 4.31Å; V3-V51 HydrophobicContact CG1-CG1 3.71Å; V3-T53 HydrophobicContact CB-CG2 4.39Å; V3-T53 HydrophobicContact CG2-CG2 3.95Å
4I90.1Very high88.1Confident57 Ų5777.5 Ų77.529%0.29240%0.398SS..EExtended strand (participates in β ladder)trans-91.3118.3174.5-55.9178.6000108.7G50 V51 T52 T53I4-G50 VanDerWaalsContact CD1-O 3.26Å; I4-G50 WeakPolarHBondContact CD1-O 3.43Å; I4-V51 PolarHBondContact N-O 3.45Å; I4-T52 HydrophobicContact CB-CG2 4.44Å; I4-T52 CarbonylContact O-C 3.52Å; I4-T52 WeakPolarHBondContact O-CA 3.49Å; I4-T53 PolarHBondContact O-N 3.18Å
5K89.7Confident88.1Confident69 Ų6977.3 Ų77.330%0.339%0.393SS..  trans-70.9162.9175.8-68.1-78.1166.7152.50111D7 G8 R9 E11 T53K5-D7 WeakPolarHBondContact CB-OD1 3.46Å; K5-D7 PolarHBondContact O-N 2.9Å; K5-G8 WeakPolarHBondContact O-CA 3.23Å; K5-G8 PolarHBondContact O-N 2.83Å; K5-R9 HydrophobicContact CB-CB 4.38Å; K5-R9 VanDerWaalsContact CB-O 3.31Å; K5-R9 WeakPolarHBondContact CB-O 3.39Å; K5-R9 WeakPolarHBondContact CG-O 3.31Å; K5-R9 PolarHBondContact N-O 2.63Å; K5-E11 WeakPolarHBondContact CE-OE2 3.26Å; K5-E11 HydrophobicContact CG-CB 4.39Å; K5-E11 IonicContact NZ-OE1 2.62Å; K5-E11 IonicContact NZ-OE2 2.63Å; K5-E11 PolarHBondContact NZ-OE2 3.49Å; K5-T53 HydrophobicContact CD-CG2 3.87Å
6R86.1Confident88.2Confident87 Ų8780 Ų8033%0.32841%0.409SS..THydrogen-bonded Turntrans-59.6-26.4176.4-67.4176.5175.984.3-1.9113.1G8 V54 D57 N85 R88 E89R6-G8 VanDerWaalsContact C-N 3.29Å; R6-V54 HydrophobicContact CG-CG2 4.22Å; R6-D57 IonicContact CZ-OD2 2.69Å; R6-D57 IonicContact NH1-OD2 2.69Å; R6-D57 IonicContact NH2-OD2 3.8Å; R6-D57 PolarHBondContact NH2-OD2 3.2Å; R6-N85 PolarHBondContact NH2-OD1 2.77Å; R6-R88 VanDerWaalsContact CZ-CD 3.44Å; R6-E89 WeakPolarHBondContact CD-OE1 3.48Å; R6-E89 IonicContact CZ-OE1 3.34Å; R6-E89 IonicContact NE-OE1 3.13Å; R6-E89 PolarHBondContact NE-OE1 3.17Å
7D87.4Confident88.2Confident98 Ų9882.7 Ų82.752%0.52442%0.417SS..THydrogen-bonded Turntrans-87.67.8174.767.9-9.5000113.3K5 R9K5-D7 WeakPolarHBondContact CB-OD1 3.46Å; K5-D7 PolarHBondContact O-N 2.9Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 PolarHBondContact O-N 2.81Å; D7-R9 WeakPolarHBondContact OD1-CB 3.5Å; D7-R9 WeakPolarHBondContact OD1-CG 3.02Å; D7-R9 PolarHBondContact OD1-N 2.62Å; D7-R9 VanDerWaalsContact OD2-CD 3.23Å; D7-R9 WeakPolarHBondContact OD2-CD 3.49Å; D7-R9 IonicContact OD2-CZ 3.69Å; D7-R9 IonicContact OD2-NE 3.28Å; D7-R9 PolarHBondContact OD2-NE 2.8Å
8G86.4Confident88.3Confident52 Ų5279.3 Ų79.354%0.53640%0.4SS..SBendtrans82.8-3.5179.300000115K5 R6K5-G8 WeakPolarHBondContact O-CA 3.23Å; K5-G8 PolarHBondContact O-N 2.83Å; R6-G8 VanDerWaalsContact C-N 3.29Å
9R91.7Very high88.5Confident179 Ų17976.2 Ų76.268%0.67539%0.385SS*.  trans-74142.2179.8-64-180-173.5176.42.9111.7K5 D7K5-R9 HydrophobicContact CB-CB 4.38Å; K5-R9 VanDerWaalsContact CB-O 3.31Å; K5-R9 WeakPolarHBondContact CB-O 3.39Å; K5-R9 WeakPolarHBondContact CG-O 3.31Å; K5-R9 PolarHBondContact N-O 2.63Å; D7-R9 VanDerWaalsContact C-N 3.31Å; D7-R9 PolarHBondContact O-N 2.81Å; D7-R9 WeakPolarHBondContact OD1-CB 3.5Å; D7-R9 WeakPolarHBondContact OD1-CG 3.02Å; D7-R9 PolarHBondContact OD1-N 2.62Å; D7-R9 VanDerWaalsContact OD2-CD 3.23Å; D7-R9 WeakPolarHBondContact OD2-CD 3.49Å; D7-R9 IonicContact OD2-CZ 3.69Å; D7-R9 IonicContact OD2-NE 3.28Å; D7-R9 PolarHBondContact OD2-NE 2.8Å
10E91.2Very high88.7Confident148 Ų14875.4 Ų75.469%0.69239%0.387SS*.EExtended strand (participates in β ladder)trans-82.3133.9169.7-65.8-174-177.400110.7V3V3-E10 WeakPolarHBondContact O-CA 3.36Å
11E90.3Very high88.8Confident54 Ų5474.2 Ų74.225%0.25238%0.378SS..EExtended strand (participates in β ladder)trans-131.3141.3172.6-165.1177.314500110.2H2 V3 K5 V13 K17H2-E11 CarbonylContact C-O 3.51Å; H2-E11 VanDerWaalsContact CA-O 3.24Å; H2-E11 WeakPolarHBondContact CA-O 2.8Å; V3-E11 HydrophobicContact CG2-CB 4.38Å; V3-E11 PolarHBondContact N-O 2.93Å; V3-E11 PolarHBondContact O-N 3.28Å; K5-E11 WeakPolarHBondContact CE-OE2 3.26Å; K5-E11 HydrophobicContact CG-CB 4.39Å; K5-E11 IonicContact NZ-OE1 2.62Å; K5-E11 IonicContact NZ-OE2 2.63Å; K5-E11 PolarHBondContact NZ-OE2 3.49Å; E11-V13 PolarHBondContact O-N 2.81Å; E11-K17 IonicContact OE1-NZ 3.79Å; E11-K17 PolarHBondContact OE1-NZ 3.22Å
12A88.4Confident89.4Confident57 Ų5768.9 Ų68.947%0.47135%0.352SS..EExtended strand (participates in β ladder)trans-61.1137.2173.400000111.1H2 S14H2-A12 WeakPolarHBondContact ND1-CA 3.23Å; A12-S14 PolarHBondContact O-N 3.01Å
13V86.9Confident89.7Confident37 Ų3769.9 Ų69.922%0.22436%0.357CS..  trans-60.4125.2172.6176.40000108.5M1 V3 E11 I18 L47M1-V13 HydrophobicContact CB-CB 4.41Å; M1-V13 HydrophobicContact CB-CG2 3.81Å; M1-V13 WeakPolarHBondContact O-CG2 3.24Å; M1-V13 PolarHBondContact O-N 3.28Å; V3-V13 HydrophobicContact CG1-CG2 3.62Å; E11-V13 PolarHBondContact O-N 2.81Å; V13-I18 HydrophobicContact CG1-CD1 4.2Å; V13-L47 HydrophobicContact CG1-CD1 4.38Å
14S88.8Confident89.9Confident36 Ų3677 Ų7725%0.25239%0.387SS..  trans-124.8119.9177.5167.50000109.6A12 K17 I18A12-S14 PolarHBondContact O-N 3.01Å; S14-K17 PolarHBondContact O-N 2.89Å; S14-K17 WeakPolarHBondContact OG-CG 3.04Å; S14-K17 PolarHBondContact OG-N 3.04Å; S14-I18 WeakPolarHBondContact O-CG1 3.27Å; S14-I18 PolarHBondContact O-N 3.2Å
15F88.1Confident90Very high75 Ų7575.2 Ų75.233%0.32938%0.378SS..Hα-helixtrans-54.3-54.8177.2-173.7-85.3000110.8K17 I18 T19 T37 T40 M41 I44F15-K17 VanDerWaalsContact C-N 3.28Å; F15-K17 PolarHBondContact O-N 2.77Å; F15-I18 PolarHBondContact O-N 2.92Å; F15-I18 VanDerWaalsContact O-N 3.08Å; F15-T19 WeakPolarHBondContact CE1-OG1 3.44Å; F15-T19 PolarHBondContact O-N 3.1Å; F15-T19 PolarHBondContact O-OG1 3.19Å; F15-T19 VanDerWaalsContact O-OG1 3.12Å; F15-T37 HydrophobicContact CE1-CG2 3.95Å; F15-T37 HydrophobicContact CZ-CG2 3.62Å; F15-T40 HydrophobicContact CD1-CG2 4.5Å; F15-T40 HydrophobicContact CD2-CG2 3.76Å; F15-T40 HydrophobicContact CE1-CG2 4.45Å; F15-T40 HydrophobicContact CE2-CG2 3.67Å; F15-T40 HydrophobicContact CG-CG2 4.14Å; F15-T40 HydrophobicContact CZ-CG2 4.03Å; F15-M41 HydrophobicContact CE2-CG 3.79Å; F15-M41 HydrophobicContact CZ-CG 3.99Å; F15-I44 HydrophobicContact CB-CD1 4.23Å; F15-I44 HydrophobicContact CD2-CD1 3.36Å; F15-I44 HydrophobicContact CE2-CD1 4.07Å; F15-I44 HydrophobicContact CG-CD1 4.19Å
16D89.9Confident90.1Very high120 Ų12072.8 Ų72.864%0.64237%0.369SS*.Hα-helixtrans-60.3-36-176.7-57.2-35000113S20D16-S20 WeakPolarHBondContact O-CB 3.48Å; D16-S20 PolarHBondContact O-N 2.75Å
17K89.1Confident90.4Very high126 Ų12674 Ų7455%0.54838%0.375SS..Hα-helixtrans-67.7-39177.3-72.7-171.6-174.7-1750112.3E11 S14 F15 R21E11-K17 IonicContact OE1-NZ 3.79Å; E11-K17 PolarHBondContact OE1-NZ 3.22Å; S14-K17 PolarHBondContact O-N 2.89Å; S14-K17 WeakPolarHBondContact OG-CG 3.04Å; S14-K17 PolarHBondContact OG-N 3.04Å; F15-K17 VanDerWaalsContact C-N 3.28Å; F15-K17 PolarHBondContact O-N 2.77Å; K17-R21 WeakPolarHBondContact O-CB 3.23Å; K17-R21 PolarHBondContact O-N 2.69Å
18I88.7Confident90.4Very high22 Ų2273.4 Ų73.411%0.11339%0.391CS..Hα-helixtrans-68.5-50.4177.2-62.3168.6000109.2V13 S14 F15 S20 R21 I22 T40 I44 L56V13-I18 HydrophobicContact CG1-CD1 4.2Å; S14-I18 WeakPolarHBondContact O-CG1 3.27Å; S14-I18 PolarHBondContact O-N 3.2Å; F15-I18 PolarHBondContact O-N 2.92Å; F15-I18 VanDerWaalsContact O-N 3.08Å; I18-S20 PolarHBondContact O-N 3.2Å; I18-R21 WeakPolarHBondContact O-CB 3.42Å; I18-R21 PolarHBondContact O-N 3.29Å; I18-R21 VanDerWaalsContact O-N 3.12Å; I18-I22 HydrophobicContact CG2-CD1 4.07Å; I18-I22 PolarHBondContact O-N 3.24Å; I18-I22 VanDerWaalsContact O-N 3.09Å; I18-T40 HydrophobicContact CB-CG2 3.8Å; I18-T40 HydrophobicContact CG2-CG2 3.72Å; I18-I44 HydrophobicContact CD1-CG1 4.38Å; I18-L56 HydrophobicContact CD1-CD1 4.24Å; I18-L56 HydrophobicContact CD1-CD2 4.33Å; I18-L56 HydrophobicContact CG1-CD2 4.3Å
19T92.3Very high90.5Very high19 Ų1971.9 Ų71.912%0.11737%0.37CS..Hα-helixtrans-58.2-47.7178.5-52.20000111.5F15 R21 I22 Q23 P36 T40F15-T19 WeakPolarHBondContact CE1-OG1 3.44Å; F15-T19 PolarHBondContact O-N 3.1Å; F15-T19 PolarHBondContact O-OG1 3.19Å; F15-T19 VanDerWaalsContact O-OG1 3.12Å; T19-R21 PolarHBondContact O-N 2.88Å; T19-I22 PolarHBondContact O-N 2.73Å; T19-I22 VanDerWaalsContact O-N 3.14Å; T19-Q23 WeakPolarHBondContact O-CB 3.26Å; T19-Q23 PolarHBondContact O-N 2.88Å; T19-P36 HydrophobicContact CG2-CB 4.25Å; T19-T40 WeakPolarHBondContact CA-OG1 3.28Å; T19-T40 WeakPolarHBondContact OG1-CB 3.32Å; T19-T40 WeakPolarHBondContact OG1-CG2 3.11Å; T19-T40 PolarHBondContact OG1-OG1 2.69Å; T19-T40 VanDerWaalsContact OG1-OG1 3.13Å
20S92.3Very high90.2Very high61 Ų6166 Ų6643%0.42735%0.353SS..Hα-helixtrans-58.7-36.7178.2-178.90000112.3D16 I18 K24D16-S20 WeakPolarHBondContact O-CB 3.48Å; D16-S20 PolarHBondContact O-N 2.75Å; I18-S20 PolarHBondContact O-N 3.2Å; S20-K24 WeakPolarHBondContact O-CG 3.43Å; S20-K24 PolarHBondContact O-N 2.96Å
21R90.8Very high90Very high50 Ų5063.7 Ų63.719%0.18935%0.353CS..Hα-helixtrans-67.2-45.3176.6-177.2177.4-178.6-177.1-8111.8K17 I18 T19 K24 D57K17-R21 WeakPolarHBondContact O-CB 3.23Å; K17-R21 PolarHBondContact O-N 2.69Å; I18-R21 WeakPolarHBondContact O-CB 3.42Å; I18-R21 PolarHBondContact O-N 3.29Å; I18-R21 VanDerWaalsContact O-N 3.12Å; T19-R21 PolarHBondContact O-N 2.88Å; R21-K24 PolarHBondContact O-N 3.22Å; R21-D57 VanDerWaalsContact CZ-CG 3.48Å; R21-D57 IonicContact CZ-OD1 2.73Å; R21-D57 IonicContact CZ-OD2 3.15Å; R21-D57 IonicContact NE-OD1 3.4Å; R21-D57 IonicContact NH1-OD1 2.84Å; R21-D57 PolarHBondContact NH1-OD1 3.17Å; R21-D57 IonicContact NH1-OD2 2.7Å; R21-D57 PolarHBondContact NH1-OD2 3.24Å; R21-D57 VanDerWaalsContact NH2-CG 3.33Å; R21-D57 IonicContact NH2-OD1 3.82Å; R21-D57 PolarHBondContact NH2-OD1 3.37Å; R21-D57 IonicContact NH2-OD2 3.81Å; R21-D57 PolarHBondContact NH2-OD2 3.4Å
22I92.8Very high89.8Confident6 Ų667.6 Ų67.63%0.03138%0.375CS..Hα-helixtrans-65.9-43178.8-62172.3000109.8I18 T19 K24 L25 C26 P36 I39 L77 I81I18-I22 HydrophobicContact CG2-CD1 4.07Å; I18-I22 PolarHBondContact O-N 3.24Å; I18-I22 VanDerWaalsContact O-N 3.09Å; T19-I22 PolarHBondContact O-N 2.73Å; T19-I22 VanDerWaalsContact O-N 3.14Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.4Å; I22-L25 WeakPolarHBondContact O-CA 3.44Å; I22-L25 WeakPolarHBondContact O-CB 3.38Å; I22-L25 PolarHBondContact O-N 3.18Å; I22-C26 PolarHBondContact O-SG 2.83Å; I22-P36 HydrophobicContact CB-CB 4.1Å; I22-P36 HydrophobicContact CG2-CB 3.72Å; I22-P36 HydrophobicContact CG2-CG 4.2Å; I22-I39 HydrophobicContact CD1-CB 4.15Å; I22-I39 HydrophobicContact CD1-CG2 3.74Å; I22-I39 HydrophobicContact CG2-CD1 4.1Å; I22-L77 HydrophobicContact CG2-CD1 4.17Å; I22-L77 HydrophobicContact CG2-CD2 3.98Å; I22-L77 HydrophobicContact CG2-CG 4.42Å; I22-I81 HydrophobicContact CG1-CD1 4.43Å; I22-I81 HydrophobicContact CG2-CD1 4.36Å
23Q93.1Very high89.7Confident106 Ų10668.9 Ų68.950%0.49537%0.37SS..Hα-helixtrans-55-40.4178.4-172.26945.200112.8T19 L25 C26 P36T19-Q23 WeakPolarHBondContact O-CB 3.26Å; T19-Q23 PolarHBondContact O-N 2.88Å; Q23-L25 PolarHBondContact O-N 2.73Å; Q23-L25 VanDerWaalsContact O-N 3.17Å; Q23-C26 WeakPolarHBondContact O-CB 3.48Å; Q23-C26 PolarHBondContact O-N 3.21Å; Q23-P36 VanDerWaalsContact OE1-CG 3.31Å
24K93.1Very high89.9Confident159 Ų15967.6 Ų67.669%0.69136%0.362SS*.THydrogen-bonded Turntrans-62.3-21.3177.5-72.1175.5-171.5-172.90113.3S20 R21 I22S20-K24 WeakPolarHBondContact O-CG 3.43Å; S20-K24 PolarHBondContact O-N 2.96Å; R21-K24 PolarHBondContact O-N 3.22Å; I22-K24 VanDerWaalsContact C-N 3.28Å; I22-K24 PolarHBondContact O-N 3.4Å
25L93.3Very high90Very high19 Ų1969 Ų6910%0.09937%0.367CS..THydrogen-bonded Turntrans-93.4-1.4178.8-59174.5000112.7I22 Q23 Y27 L77 R80 I81I22-L25 WeakPolarHBondContact O-CA 3.44Å; I22-L25 WeakPolarHBondContact O-CB 3.38Å; I22-L25 PolarHBondContact O-N 3.18Å; Q23-L25 PolarHBondContact O-N 2.73Å; Q23-L25 VanDerWaalsContact O-N 3.17Å; L25-Y27 VanDerWaalsContact C-N 3.33Å; L25-Y27 PolarHBondContact O-N 2.91Å; L25-L77 HydrophobicContact CB-CD1 3.84Å; L25-R80 HydrophobicContact CB-CB 4.2Å; L25-R80 WeakPolarHBondContact O-CD 3.46Å; L25-R80 PolarHBondContact O-NH1 3.13Å; L25-I81 HydrophobicContact CD1-CB 4.38Å; L25-I81 HydrophobicContact CD1-CG1 3.77Å
26C92.4Very high90.2Very high17 Ų1765.6 Ų65.612%0.11535%0.353CS..  trans-88.613.9-178.7-630000114.7I22 Q23 G28 L29 P36I22-C26 PolarHBondContact O-SG 2.83Å; Q23-C26 WeakPolarHBondContact O-CB 3.48Å; Q23-C26 PolarHBondContact O-N 3.21Å; C26-G28 PolarHBondContact O-N 2.86Å; C26-L29 HydrophobicContact CB-CD1 4.39Å; C26-L29 PolarHBondContact O-N 2.84Å; C26-L29 VanDerWaalsContact O-N 3.16Å; C26-P36 VanDerWaalsContact SG-CG 3.51Å
27Y90.8Very high90.3Very high114 Ų11462.4 Ų62.445%0.44734%0.338SS..THydrogen-bonded Turntrans-59.8128.5-178.959-91.2000112L25 L29 R80 F141L25-Y27 VanDerWaalsContact C-N 3.33Å; L25-Y27 PolarHBondContact O-N 2.91Å; Y27-L29 PolarHBondContact O-N 3.14Å; Y27-R80 VanDerWaalsContact CE2-CZ 3.47Å; Y27-R80 VanDerWaalsContact CZ-CZ 3.49Å; Y27-R80 PolarHBondContact O-NH1 3.05Å; Y27-R80 PolarHBondContact O-NH2 2.87Å; Y27-F141 VanDerWaalsContact OH-CB 3.27Å; Y27-F141 WeakPolarHBondContact OH-CB 3.25Å
28G87.6Confident90.4Very high84 Ų8459 Ų5987%0.86632%0.323SS*.THydrogen-bonded Turntrans66.810.2-179.400000115.3C26C26-G28 PolarHBondContact O-N 2.86Å
29L89Confident90.5Very high20 Ų2057.9 Ų57.911%0.10532%0.318CS..SBendtrans-88.5153.7169.8-53.7-172.8000109.8C26 Y27 S31 V34 D73 I76 L77C26-L29 HydrophobicContact CB-CD1 4.39Å; C26-L29 PolarHBondContact O-N 2.84Å; C26-L29 VanDerWaalsContact O-N 3.16Å; Y27-L29 PolarHBondContact O-N 3.14Å; L29-S31 PolarHBondContact O-N 2.94Å; L29-S31 VanDerWaalsContact O-N 3.13Å; L29-V34 HydrophobicContact CB-CG2 4.37Å; L29-V34 HydrophobicContact CD1-CG1 4.44Å; L29-D73 WeakPolarHBondContact CA-OD2 3.5Å; L29-D73 HydrophobicContact CB-CB 4.22Å; L29-D73 HydrophobicContact CD2-CB 4.11Å; L29-I76 HydrophobicContact CD2-CB 4.16Å; L29-I76 HydrophobicContact CD2-CD1 4.44Å; L29-I76 HydrophobicContact CD2-CG2 3.94Å; L29-L77 HydrophobicContact CD1-CB 3.77Å; L29-L77 HydrophobicContact CD1-CD1 4.32Å; L29-L77 HydrophobicContact CD1-CG 4.46Å
30N86.3Confident90.5Very high56 Ų5657 Ų5730%0.29931%0.313SS..  trans-70.2107.8179.5-168.6-25.2000111.5D32 F33 V34 D73N30-D32 PolarHBondContact O-N 2.93Å; N30-D32 WeakPolarHBondContact OD1-CB 3.47Å; N30-D32 PolarHBondContact OD1-N 3.14Å; N30-F33 HydrophobicContact CB-CD2 4.3Å; N30-F33 WeakPolarHBondContact ND2-CD2 3.5Å; N30-F33 PolarHBondContact O-N 3.37Å; N30-V34 WeakPolarHBondContact O-CB 3.31Å; N30-V34 WeakPolarHBondContact O-CG2 3.3Å; N30-V34 PolarHBondContact O-N 3.29Å; N30-D73 PolarHBondContact N-OD2 2.95Å
31S87.2Confident90.4Very high99 Ų9959 Ų5969%0.69232%0.317SS*.THydrogen-bonded Turntrans-68.4-18.1-178.2520000114.3L29 F33L29-S31 PolarHBondContact O-N 2.94Å; L29-S31 VanDerWaalsContact O-N 3.13Å; S31-F33 PolarHBondContact O-N 2.88Å
32D85.3Confident90.4Very high136 Ų13661.1 Ų61.173%0.72733%0.327SS*.THydrogen-bonded Turntrans-72.5-23.8179.1-59.6-24.3000111.4N30N30-D32 PolarHBondContact O-N 2.93Å; N30-D32 WeakPolarHBondContact OD1-CB 3.47Å; N30-D32 PolarHBondContact OD1-N 3.14Å
33F86.4Confident90.2Very high85 Ų8560.8 Ų60.837%0.37333%0.325SS..THydrogen-bonded Turntrans-116.4-30.1-178.1-58.5-75.6000114N30 S31 H71 Y74N30-F33 HydrophobicContact CB-CD2 4.3Å; N30-F33 WeakPolarHBondContact ND2-CD2 3.5Å; N30-F33 PolarHBondContact O-N 3.37Å; S31-F33 PolarHBondContact O-N 2.88Å; F33-H71 HydrophobicContact CB-CB 3.77Å; F33-H71 AromaticContact CD2-CD2 3.43Å; F33-H71 VanDerWaalsContact CD2-CD2 3.43Å; F33-H71 WeakPolarHBondContact CD2-CD2 3.38Å; F33-H71 AromaticContact CD2-NE2 3.67Å; F33-H71 HydrophobicContact CG-CB 4.4Å; F33-H71 AromaticContact CG-CD2 3.56Å; F33-Y74 VanDerWaalsContact O-CE2 3.29Å; F33-Y74 WeakPolarHBondContact O-CE2 3.35Å; F33-Y74 PolarHBondContact O-OH 3.27Å
34V90.3Very high90Very high9 Ų957.9 Ų57.96%0.05531%0.313CS..  trans-91.9109.5-178-178.80000110.8L29 N30 D73 Y74 L77L29-V34 HydrophobicContact CB-CG2 4.37Å; L29-V34 HydrophobicContact CD1-CG1 4.44Å; N30-V34 WeakPolarHBondContact O-CB 3.31Å; N30-V34 WeakPolarHBondContact O-CG2 3.3Å; N30-V34 PolarHBondContact O-N 3.29Å; V34-D73 HydrophobicContact CG2-CB 3.66Å; V34-Y74 WeakPolarHBondContact CA-OH 3.4Å; V34-Y74 HydrophobicContact CG1-CD1 4.5Å; V34-Y74 HydrophobicContact CG1-CE1 4.16Å; V34-Y74 HydrophobicContact CG2-CD2 4.41Å; V34-Y74 HydrophobicContact CG2-CE2 4.32Å; V34-L77 HydrophobicContact CG1-CD2 3.69Å
35D91.6Very high89.6Confident65 Ų6557.8 Ų57.835%0.34832%0.315SS..  trans-114.4105.9177.7177.316.5000111.6T37 Q38 Y74D35-T37 PolarHBondContact O-N 3.49Å; D35-T37 WeakPolarHBondContact OD1-CA 3.34Å; D35-T37 WeakPolarHBondContact OD1-CB 3.07Å; D35-T37 PolarHBondContact OD1-N 2.83Å; D35-T37 PolarHBondContact OD1-OG1 3.13Å; D35-Q38 HydrophobicContact CB-CB 4.22Å; D35-Q38 PolarHBondContact O-N 3Å; D35-Q38 PolarHBondContact OD2-N 3.1Å; D35-Y74 PolarHBondContact N-OH 2.97Å
36P92.3Very high89Confident5 Ų559.3 Ų59.33%0.03234%0.335CS..Hα-helixtrans-60-26.1174.8-31.843.7000114.6T19 I22 Q23 C26 I39 T40T19-P36 HydrophobicContact CG2-CB 4.25Å; I22-P36 HydrophobicContact CB-CB 4.1Å; I22-P36 HydrophobicContact CG2-CB 3.72Å; I22-P36 HydrophobicContact CG2-CG 4.2Å; Q23-P36 VanDerWaalsContact OE1-CG 3.31Å; C26-P36 VanDerWaalsContact SG-CG 3.51Å; P36-I39 PolarHBondContact O-N 3.06Å; P36-T40 PolarHBondContact O-N 2.71Å; P36-T40 VanDerWaalsContact O-N 3.09Å; P36-T40 PolarHBondContact O-OG1 3.16Å
37T92.3Very high88.7Confident53 Ų5359.4 Ų59.433%0.32533%0.334SS..Hα-helixtrans-66.7-44.5179.3-440000109.9F15 D35 I39 T40 M41F15-T37 HydrophobicContact CE1-CG2 3.95Å; F15-T37 HydrophobicContact CZ-CG2 3.62Å; D35-T37 PolarHBondContact O-N 3.49Å; D35-T37 WeakPolarHBondContact OD1-CA 3.34Å; D35-T37 WeakPolarHBondContact OD1-CB 3.07Å; D35-T37 PolarHBondContact OD1-N 2.83Å; D35-T37 PolarHBondContact OD1-OG1 3.13Å; T37-I39 VanDerWaalsContact C-N 3.31Å; T37-I39 PolarHBondContact O-N 2.92Å; T37-T40 PolarHBondContact O-N 3.44Å; T37-T40 VanDerWaalsContact O-N 3.13Å; T37-M41 WeakPolarHBondContact O-CG 3.13Å; T37-M41 PolarHBondContact O-N 3.35Å
38Q90.6Very high88.5Confident53 Ų5360.2 Ų60.225%0.24834%0.337CS..Hα-helixtrans-58.6-40.8176.4179.6168.898.600112.6D35 K42 L67D35-Q38 HydrophobicContact CB-CB 4.22Å; D35-Q38 PolarHBondContact O-N 3Å; D35-Q38 PolarHBondContact OD2-N 3.1Å; Q38-K42 PolarHBondContact O-N 3.33Å; Q38-L67 HydrophobicContact CG-CD1 4.39Å
39I92Very high88.5Confident0 Ų059.7 Ų59.70%032%0.32CS..Hα-helixtrans-63.9-48.3175.5-62164.5000109.5I22 P36 T37 M41 K42 V43 T63 A64 L67 Y74 L77I22-I39 HydrophobicContact CD1-CB 4.15Å; I22-I39 HydrophobicContact CD1-CG2 3.74Å; I22-I39 HydrophobicContact CG2-CD1 4.1Å; P36-I39 PolarHBondContact O-N 3.06Å; T37-I39 VanDerWaalsContact C-N 3.31Å; T37-I39 PolarHBondContact O-N 2.92Å; I39-M41 VanDerWaalsContact C-N 3.34Å; I39-M41 PolarHBondContact O-N 3.48Å; I39-K42 PolarHBondContact O-N 3.28Å; I39-V43 HydrophobicContact CG2-CG2 4.05Å; I39-V43 VanDerWaalsContact O-CG2 3.26Å; I39-V43 WeakPolarHBondContact O-CG2 3.45Å; I39-V43 PolarHBondContact O-N 3.05Å; I39-T63 HydrophobicContact CG2-CG2 4.25Å; I39-A64 HydrophobicContact CD1-CB 3.89Å; I39-A64 HydrophobicContact CG1-CB 4.42Å; I39-L67 HydrophobicContact CG1-CD1 3.81Å; I39-Y74 HydrophobicContact CD1-CD1 4.16Å; I39-Y74 HydrophobicContact CD1-CE1 3.96Å; I39-Y74 HydrophobicContact CG1-CE1 4.22Å; I39-L77 HydrophobicContact CD1-CD2 3.47Å; I39-L77 VanDerWaalsContact CD1-CD2 3.47Å; I39-L77 HydrophobicContact CD1-CG 4.39Å
40T92.3Very high88.4Confident0 Ų060.2 Ų60.20%033%0.33CS..Hα-helixtrans-60.5-42.6-177.8-55.90000112.2F15 I18 T19 P36 T37 K42 V43 I44F15-T40 HydrophobicContact CD1-CG2 4.5Å; F15-T40 HydrophobicContact CD2-CG2 3.76Å; F15-T40 HydrophobicContact CE1-CG2 4.45Å; F15-T40 HydrophobicContact CE2-CG2 3.67Å; F15-T40 HydrophobicContact CG-CG2 4.14Å; F15-T40 HydrophobicContact CZ-CG2 4.03Å; I18-T40 HydrophobicContact CB-CG2 3.8Å; I18-T40 HydrophobicContact CG2-CG2 3.72Å; T19-T40 WeakPolarHBondContact CA-OG1 3.28Å; T19-T40 WeakPolarHBondContact OG1-CB 3.32Å; T19-T40 WeakPolarHBondContact OG1-CG2 3.11Å; T19-T40 PolarHBondContact OG1-OG1 2.69Å; T19-T40 VanDerWaalsContact OG1-OG1 3.13Å; P36-T40 PolarHBondContact O-N 2.71Å; P36-T40 VanDerWaalsContact O-N 3.09Å; P36-T40 PolarHBondContact O-OG1 3.16Å; T37-T40 PolarHBondContact O-N 3.44Å; T37-T40 VanDerWaalsContact O-N 3.13Å; T40-K42 PolarHBondContact O-N 3.3Å; T40-V43 PolarHBondContact O-N 2.95Å; T40-I44 HydrophobicContact CG2-CD1 3.77Å; T40-I44 HydrophobicContact CG2-CG1 4.47Å; T40-I44 WeakPolarHBondContact O-CG1 3.31Å; T40-I44 PolarHBondContact O-N 3.45Å
41M89.8Confident88.6Confident104 Ų10457.8 Ų57.851%0.51232%0.318SS..Hα-helixtrans-58.2-47.4175.6-71.7179.273.100112.1F15 T37 I39 I44 Q45F15-M41 HydrophobicContact CE2-CG 3.79Å; F15-M41 HydrophobicContact CZ-CG 3.99Å; T37-M41 WeakPolarHBondContact O-CG 3.13Å; T37-M41 PolarHBondContact O-N 3.35Å; I39-M41 VanDerWaalsContact C-N 3.34Å; I39-M41 PolarHBondContact O-N 3.48Å; M41-I44 PolarHBondContact O-N 2.83Å; M41-Q45 WeakPolarHBondContact O-CG 3.38Å; M41-Q45 PolarHBondContact O-N 3.47Å
42K89.7Confident88.8Confident93 Ų9355.4 Ų55.440%0.40430%0.299SS..Hα-helixtrans-66.3-40179-75.9-179.1173.9-1210112.4Q38 I39 T40 Q45 G46 T63Q38-K42 PolarHBondContact O-N 3.33Å; I39-K42 PolarHBondContact O-N 3.28Å; T40-K42 PolarHBondContact O-N 3.3Å; K42-Q45 PolarHBondContact O-N 3.35Å; K42-G46 PolarHBondContact O-N 2.91Å; K42-T63 HydrophobicContact CB-CG2 3.57Å; K42-T63 HydrophobicContact CD-CG2 3.91Å; K42-T63 HydrophobicContact CG-CG2 4.4Å
43V89.2Confident89Confident0 Ų049.4 Ų49.40%027%0.268CS..Hα-helixtrans-63-43.9177.5171.70000110.7I39 T40 Q45 G46 L47 L56 L59 A60 T63I39-V43 HydrophobicContact CG2-CG2 4.05Å; I39-V43 VanDerWaalsContact O-CG2 3.26Å; I39-V43 WeakPolarHBondContact O-CG2 3.45Å; I39-V43 PolarHBondContact O-N 3.05Å; T40-V43 PolarHBondContact O-N 2.95Å; V43-Q45 VanDerWaalsContact C-N 3.29Å; V43-Q45 PolarHBondContact O-N 3.46Å; V43-G46 PolarHBondContact O-N 3.44Å; V43-G46 VanDerWaalsContact O-N 3.1Å; V43-L47 HydrophobicContact CG1-CD1 4.15Å; V43-L47 HydrophobicContact CG1-CG 4.43Å; V43-L47 VanDerWaalsContact O-CG 3.31Å; V43-L47 WeakPolarHBondContact O-CG 3.4Å; V43-L47 PolarHBondContact O-N 2.96Å; V43-L56 HydrophobicContact CG1-CD1 3.67Å; V43-L59 HydrophobicContact CG1-CD2 4.17Å; V43-L59 HydrophobicContact CG1-CG 4.44Å; V43-A60 HydrophobicContact CG2-CB 3.93Å; V43-T63 HydrophobicContact CG2-CG2 4.34Å
44I88.3Confident89.2Confident44 Ų4447.4 Ų47.423%0.22626%0.262CS..Hα-helixtrans-64.2-32179.4-71.2167.7000112.8F15 I18 T40 M41 G46 L47F15-I44 HydrophobicContact CB-CD1 4.23Å; F15-I44 HydrophobicContact CD2-CD1 3.36Å; F15-I44 HydrophobicContact CE2-CD1 4.07Å; F15-I44 HydrophobicContact CG-CD1 4.19Å; I18-I44 HydrophobicContact CD1-CG1 4.38Å; T40-I44 HydrophobicContact CG2-CD1 3.77Å; T40-I44 HydrophobicContact CG2-CG1 4.47Å; T40-I44 WeakPolarHBondContact O-CG1 3.31Å; T40-I44 PolarHBondContact O-N 3.45Å; M41-I44 PolarHBondContact O-N 2.83Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 3.21Å; I44-L47 HydrophobicContact CB-CD1 4.33Å; I44-L47 HydrophobicContact CG1-CD1 3.89Å; I44-L47 PolarHBondContact O-N 2.72Å
45Q85.7Confident89.1Confident158 Ų15851 Ų5174%0.73828%0.278SS*.Hα-helixtrans-66.1-30.1174.8-70.7170.8-8.700112.8M41 K42 V43M41-Q45 WeakPolarHBondContact O-CG 3.38Å; M41-Q45 PolarHBondContact O-N 3.47Å; K42-Q45 PolarHBondContact O-N 3.35Å; V43-Q45 VanDerWaalsContact C-N 3.29Å; V43-Q45 PolarHBondContact O-N 3.46Å
46G80.8Confident89Confident50 Ų5048.6 Ų48.652%0.51527%0.265SS..THydrogen-bonded Turntrans-924178.300000114.7K42 V43 I44K42-G46 PolarHBondContact O-N 2.91Å; V43-G46 PolarHBondContact O-N 3.44Å; V43-G46 VanDerWaalsContact O-N 3.1Å; I44-G46 VanDerWaalsContact C-N 3.27Å; I44-G46 PolarHBondContact O-N 3.21Å
47L85.8Confident88.9Confident20 Ų2048.7 Ų48.711%0.10527%0.266CS..  trans-86.4143.4-174.2-85.5166.3000113V13 V43 I44 V51 L56V13-L47 HydrophobicContact CG1-CD1 4.38Å; V43-L47 HydrophobicContact CG1-CD1 4.15Å; V43-L47 HydrophobicContact CG1-CG 4.43Å; V43-L47 VanDerWaalsContact O-CG 3.31Å; V43-L47 WeakPolarHBondContact O-CG 3.4Å; V43-L47 PolarHBondContact O-N 2.96Å; I44-L47 HydrophobicContact CB-CD1 4.33Å; I44-L47 HydrophobicContact CG1-CD1 3.89Å; I44-L47 PolarHBondContact O-N 2.72Å; L47-V51 HydrophobicContact CD2-CB 4.21Å; L47-V51 HydrophobicContact CD2-CG1 3.35Å; L47-V51 HydrophobicContact CD2-CG2 4.32Å; L47-L56 HydrophobicContact CD1-CD1 3.67Å; L47-L56 HydrophobicContact CD2-CD1 3.59Å; L47-L56 HydrophobicContact CG-CD1 4.09Å
48Y86.1Confident88.8Confident130 Ų13048.3 Ų48.351%0.5126%0.263SS..  trans-122154.9168.663.9-88.9000110.4V51Y48-V51 HydrophobicContact CE1-CB 4.29Å; Y48-V51 HydrophobicContact CE1-CG2 4.19Å; Y48-V51 HydrophobicContact CE2-CB 4.19Å; Y48-V51 WeakPolarHBondContact O-CG1 3.48Å; Y48-V51 PolarHBondContact O-N 3.05Å
49S87Confident88.7Confident73 Ų7348.3 Ų48.351%0.5127%0.265SS..THydrogen-bonded Turntrans-70.1134.3179.7-160.30000110.6H2H2-S49 PolarHBondContact N-OG 3.08Å
50G87.3Confident88.8Confident31 Ų3148.5 Ų48.532%0.3227%0.266SS..THydrogen-bonded Turntrans93.80.2-175.600000114.3H2 I4H2-G50 PolarHBondContact O-N 3.25Å; I4-G50 VanDerWaalsContact CD1-O 3.26Å; I4-G50 WeakPolarHBondContact CD1-O 3.43Å
51V90.5Very high88.8Confident6 Ų648.6 Ų48.64%0.03627%0.267CS..EExtended strand (participates in β ladder)trans-58.4143.5173.170.80000110.9V3 I4 L47 Y48 E55V3-V51 CarbonylContact C-O 3.54Å; V3-V51 VanDerWaalsContact CA-O 3.27Å; V3-V51 WeakPolarHBondContact CA-O 3.48Å; V3-V51 HydrophobicContact CB-CG1 4.31Å; V3-V51 HydrophobicContact CG1-CG1 3.71Å; I4-V51 PolarHBondContact N-O 3.45Å; L47-V51 HydrophobicContact CD2-CB 4.21Å; L47-V51 HydrophobicContact CD2-CG1 3.35Å; L47-V51 HydrophobicContact CD2-CG2 4.32Å; Y48-V51 HydrophobicContact CE1-CB 4.29Å; Y48-V51 HydrophobicContact CE1-CG2 4.19Å; Y48-V51 HydrophobicContact CE2-CB 4.19Å; Y48-V51 WeakPolarHBondContact O-CG1 3.48Å; Y48-V51 PolarHBondContact O-N 3.05Å; V51-E55 HydrophobicContact CG2-CB 3.62Å
52T91.4Very high88.8Confident49 Ų4945.8 Ų45.830%0.30125%0.253SS..EExtended strand (participates in β ladder)trans-80.1153.617567.50000111.5I4 V54 E55 L56I4-T52 HydrophobicContact CB-CG2 4.44Å; I4-T52 CarbonylContact O-C 3.52Å; I4-T52 WeakPolarHBondContact O-CA 3.49Å; T52-V54 PolarHBondContact O-N 3.02Å; T52-V54 VanDerWaalsContact O-N 3.17Å; T52-E55 WeakPolarHBondContact CB-OE2 3.33Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.38Å; T52-E55 PolarHBondContact N-OE2 3.35Å; T52-E55 PolarHBondContact O-N 3.41Å; T52-E55 WeakPolarHBondContact OG1-CB 3.47Å; T52-E55 VanDerWaalsContact OG1-CD 3.28Å; T52-E55 VanDerWaalsContact OG1-CG 3.25Å; T52-E55 WeakPolarHBondContact OG1-CG 3.39Å; T52-E55 PolarHBondContact OG1-N 2.86Å; T52-E55 PolarHBondContact OG1-OE2 2.94Å; T52-L56 PolarHBondContact O-N 3.33Å
53T90.1Very high88.9Confident10 Ų1042.1 Ų42.16%0.06124%0.238CC..Hα-helixtrans-63.9-17.9174.351.40000114.3V3 I4 K5 D57V3-T53 HydrophobicContact CB-CG2 4.39Å; V3-T53 HydrophobicContact CG2-CG2 3.95Å; I4-T53 PolarHBondContact O-N 3.18Å; K5-T53 HydrophobicContact CD-CG2 3.87Å; T53-D57 PolarHBondContact O-N 2.7Å
54V89.7Confident89Confident42 Ų4242.1 Ų42.126%0.25524%0.238SC..Hα-helixtrans-77.3-44.1174.3177.80000110.6R6 T52 L56 D57 T58 E89R6-V54 HydrophobicContact CG-CG2 4.22Å; T52-V54 PolarHBondContact O-N 3.02Å; T52-V54 VanDerWaalsContact O-N 3.17Å; V54-L56 VanDerWaalsContact C-N 3.32Å; V54-D57 PolarHBondContact O-N 3.4Å; V54-T58 PolarHBondContact O-N 3.48Å; V54-T58 PolarHBondContact O-OG1 2.93Å; V54-E89 HydrophobicContact CG2-CG 4.49Å
55E88.8Confident89.1Confident85 Ų8540.1 Ų40.140%0.39723%0.228SC..Hα-helixtrans-63.9-39.7173.7-70.9163.6136.100111.1V51 T52 D57 T58 L59V51-E55 HydrophobicContact CG2-CB 3.62Å; T52-E55 WeakPolarHBondContact CB-OE2 3.33Å; T52-E55 WeakPolarHBondContact CG2-OE2 3.38Å; T52-E55 PolarHBondContact N-OE2 3.35Å; T52-E55 PolarHBondContact O-N 3.41Å; T52-E55 WeakPolarHBondContact OG1-CB 3.47Å; T52-E55 VanDerWaalsContact OG1-CD 3.28Å; T52-E55 VanDerWaalsContact OG1-CG 3.25Å; T52-E55 WeakPolarHBondContact OG1-CG 3.39Å; T52-E55 PolarHBondContact OG1-N 2.86Å; T52-E55 PolarHBondContact OG1-OE2 2.94Å; E55-D57 PolarHBondContact O-N 2.87Å; E55-T58 WeakPolarHBondContact O-CB 3.34Å; E55-T58 PolarHBondContact O-N 2.83Å; E55-L59 WeakPolarHBondContact O-CB 3.49Å; E55-L59 PolarHBondContact O-N 2.81Å
56L90Very high89.2Confident15 Ų1535.9 Ų35.98%0.07921%0.213CC..Hα-helixtrans-57.3-48.8173.2-179.477.1000111.9I18 V43 L47 T52 V54 T58 L59 A60I18-L56 HydrophobicContact CD1-CD1 4.24Å; I18-L56 HydrophobicContact CD1-CD2 4.33Å; I18-L56 HydrophobicContact CG1-CD2 4.3Å; V43-L56 HydrophobicContact CG1-CD1 3.67Å; L47-L56 HydrophobicContact CD1-CD1 3.67Å; L47-L56 HydrophobicContact CD2-CD1 3.59Å; L47-L56 HydrophobicContact CG-CD1 4.09Å; T52-L56 PolarHBondContact O-N 3.33Å; V54-L56 VanDerWaalsContact C-N 3.32Å; L56-T58 VanDerWaalsContact C-N 3.28Å; L56-T58 PolarHBondContact O-N 3.14Å; L56-L59 PolarHBondContact O-N 3.16Å; L56-A60 WeakPolarHBondContact O-CB 3.46Å; L56-A60 PolarHBondContact O-N 3.27Å
57D90.4Very high89.7Confident7 Ų733.8 Ų33.84%0.03719%0.19CC..Hα-helixtrans-65-35.6179.1-70.8-22.8000111.3R6 R21 T53 V54 E55 A60 A61 I81 N85R6-D57 IonicContact CZ-OD2 2.69Å; R6-D57 IonicContact NH1-OD2 2.69Å; R6-D57 IonicContact NH2-OD2 3.8Å; R6-D57 PolarHBondContact NH2-OD2 3.2Å; R21-D57 VanDerWaalsContact CZ-CG 3.48Å; R21-D57 IonicContact CZ-OD1 2.73Å; R21-D57 IonicContact CZ-OD2 3.15Å; R21-D57 IonicContact NE-OD1 3.4Å; R21-D57 IonicContact NH1-OD1 2.84Å; R21-D57 PolarHBondContact NH1-OD1 3.17Å; R21-D57 IonicContact NH1-OD2 2.7Å; R21-D57 PolarHBondContact NH1-OD2 3.24Å; R21-D57 VanDerWaalsContact NH2-CG 3.33Å; R21-D57 IonicContact NH2-OD1 3.82Å; R21-D57 PolarHBondContact NH2-OD1 3.37Å; R21-D57 IonicContact NH2-OD2 3.81Å; R21-D57 PolarHBondContact NH2-OD2 3.4Å; T53-D57 PolarHBondContact O-N 2.7Å; V54-D57 PolarHBondContact O-N 3.4Å; E55-D57 PolarHBondContact O-N 2.87Å; D57-A60 PolarHBondContact O-N 2.67Å; D57-A61 WeakPolarHBondContact O-CB 3.49Å; D57-A61 PolarHBondContact O-N 2.71Å; D57-I81 VanDerWaalsContact O-CG2 3.3Å; D57-I81 WeakPolarHBondContact O-CG2 3.07Å; D57-N85 HydrophobicContact CB-CB 3.91Å
58T89.3Confident89.8Confident45 Ų4533.1 Ų33.128%0.27619%0.187SC..Hα-helixtrans-65.6-48.5176.4-56.70000111V54 E55 L56 A60 A61 E62V54-T58 PolarHBondContact O-N 3.48Å; V54-T58 PolarHBondContact O-OG1 2.93Å; E55-T58 WeakPolarHBondContact O-CB 3.34Å; E55-T58 PolarHBondContact O-N 2.83Å; L56-T58 VanDerWaalsContact C-N 3.28Å; L56-T58 PolarHBondContact O-N 3.14Å; T58-A60 VanDerWaalsContact C-N 3.3Å; T58-A60 PolarHBondContact O-N 3.09Å; T58-A61 PolarHBondContact O-N 3.42Å; T58-E62 WeakPolarHBondContact O-CG 3.25Å; T58-E62 PolarHBondContact O-N 3.26Å
59L89.4Confident89.8Confident52 Ų5227.5 Ų27.527%0.27217%0.166SC..Hα-helixtrans-61.6-38.9176.5-17862000111.6V43 E55 L56 E62 T63V43-L59 HydrophobicContact CG1-CD2 4.17Å; V43-L59 HydrophobicContact CG1-CG 4.44Å; E55-L59 WeakPolarHBondContact O-CB 3.49Å; E55-L59 PolarHBondContact O-N 2.81Å; L56-L59 PolarHBondContact O-N 3.16Å; L59-E62 PolarHBondContact O-N 3.12Å; L59-T63 VanDerWaalsContact O-CB 3.25Å; L59-T63 WeakPolarHBondContact O-CB 3.48Å; L59-T63 PolarHBondContact O-N 2.84Å; L59-T63 PolarHBondContact O-OG1 2.95Å
60A92.6Very high89.7Confident4 Ų427.3 Ų27.33%0.03316%0.156CC..Hα-helixtrans-65-42.2175.900000112.4V43 L56 D57 T58 A64 I81V43-A60 HydrophobicContact CG2-CB 3.93Å; L56-A60 WeakPolarHBondContact O-CB 3.46Å; L56-A60 PolarHBondContact O-N 3.27Å; D57-A60 PolarHBondContact O-N 2.67Å; T58-A60 VanDerWaalsContact C-N 3.3Å; T58-A60 PolarHBondContact O-N 3.09Å; A60-A64 WeakPolarHBondContact O-CB 3.35Å; A60-A64 PolarHBondContact O-N 2.84Å; A60-I81 HydrophobicContact CB-CD1 4.5Å; A60-I81 HydrophobicContact CB-CG2 4.19Å
61A92.4Very high89.7Confident2 Ų226.2 Ų26.22%0.01714%0.142CC..Hα-helixtrans-63.9-44.1175.700000111.8D57 T58 A64 A65 A78 I81 A82 F145D57-A61 WeakPolarHBondContact O-CB 3.49Å; D57-A61 PolarHBondContact O-N 2.71Å; T58-A61 PolarHBondContact O-N 3.42Å; A61-A64 PolarHBondContact O-N 3.32Å; A61-A65 WeakPolarHBondContact O-CB 3.41Å; A61-A65 PolarHBondContact O-N 3.34Å; A61-A78 WeakPolarHBondContact CB-O 3.36Å; A61-A78 VanDerWaalsContact O-CB 3.26Å; A61-A78 WeakPolarHBondContact O-CB 3.43Å; A61-I81 HydrophobicContact CB-CB 4.07Å; A61-I81 HydrophobicContact CB-CG2 3.91Å; A61-A82 HydrophobicContact CB-CB 4.12Å; A61-F145 HydrophobicContact CB-CE2 4.02Å
62E90.1Very high89.4Confident45 Ų4526.8 Ų26.821%0.2115%0.147CC..Hα-helixtrans-65.3-44.1177.6-71.4174.1173.400111.8T58 L59 A64 A65 T66 F145 S631T58-E62 WeakPolarHBondContact O-CG 3.25Å; T58-E62 PolarHBondContact O-N 3.26Å; L59-E62 PolarHBondContact O-N 3.12Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.08Å; E62-A65 WeakPolarHBondContact O-CB 3.47Å; E62-A65 PolarHBondContact O-N 2.86Å; E62-A65 VanDerWaalsContact O-N 3.1Å; E62-T66 WeakPolarHBondContact O-CG2 3.46Å; E62-T66 PolarHBondContact O-N 3.2Å; E62-F145 HydrophobicContact CG-CZ 4.21Å; E62-S631 VanDerWaalsContact CD-OG 3.28Å; E62-S631 WeakPolarHBondContact OE1-CB 3.36Å; E62-S631 PolarHBondContact OE1-OG 2.83Å
63T91.4Very high89.2Confident17 Ų1725.9 Ų25.910%0.10414%0.14CC..Hα-helixtrans-59.1-46.5175.4-60.30000110.8I39 K42 V43 L59 A65 T66 L67I39-T63 HydrophobicContact CG2-CG2 4.25Å; K42-T63 HydrophobicContact CB-CG2 3.57Å; K42-T63 HydrophobicContact CD-CG2 3.91Å; K42-T63 HydrophobicContact CG-CG2 4.4Å; V43-T63 HydrophobicContact CG2-CG2 4.34Å; L59-T63 VanDerWaalsContact O-CB 3.25Å; L59-T63 WeakPolarHBondContact O-CB 3.48Å; L59-T63 PolarHBondContact O-N 2.84Å; L59-T63 PolarHBondContact O-OG1 2.95Å; T63-A65 VanDerWaalsContact C-N 3.31Å; T63-A65 PolarHBondContact O-N 2.94Å; T63-T66 PolarHBondContact O-N 3.48Å; T63-T66 PolarHBondContact O-OG1 2.97Å; T63-L67 PolarHBondContact O-N 2.83Å
64A92.5Very high89.3Confident0 Ų025.5 Ų25.50%014%0.137CC..Hα-helixtrans-59.9-41.6174.700000111.5I39 A60 A61 E62 T66 L67 A78 I81I39-A64 HydrophobicContact CD1-CB 3.89Å; I39-A64 HydrophobicContact CG1-CB 4.42Å; A60-A64 WeakPolarHBondContact O-CB 3.35Å; A60-A64 PolarHBondContact O-N 2.84Å; A61-A64 PolarHBondContact O-N 3.32Å; E62-A64 VanDerWaalsContact C-N 3.34Å; E62-A64 PolarHBondContact O-N 3.08Å; A64-T66 VanDerWaalsContact C-N 3.31Å; A64-T66 PolarHBondContact O-N 3.12Å; A64-L67 WeakPolarHBondContact O-CB 3.29Å; A64-L67 PolarHBondContact O-N 3.13Å; A64-A78 HydrophobicContact CB-CB 3.77Å; A64-I81 HydrophobicContact CB-CD1 4.22Å
65A90.1Very high89.2Confident1 Ų124 Ų241%0.00813%0.129CC..Hα-helixtrans-62.8-34.7178.200000112.7A61 E62 T63 L67 T68 A78 F145 F634A61-A65 WeakPolarHBondContact O-CB 3.41Å; A61-A65 PolarHBondContact O-N 3.34Å; E62-A65 WeakPolarHBondContact O-CB 3.47Å; E62-A65 PolarHBondContact O-N 2.86Å; E62-A65 VanDerWaalsContact O-N 3.1Å; T63-A65 VanDerWaalsContact C-N 3.31Å; T63-A65 PolarHBondContact O-N 2.94Å; A65-L67 PolarHBondContact O-N 3.41Å; A65-T68 VanDerWaalsContact O-CB 3.27Å; A65-T68 WeakPolarHBondContact O-CB 3.41Å; A65-T68 PolarHBondContact O-N 2.99Å; A65-T68 VanDerWaalsContact O-N 3.14Å; A65-T68 PolarHBondContact O-OG1 3.1Å; A65-A78 HydrophobicContact CB-CB 3.9Å; A65-F145 HydrophobicContact CB-CD1 3.68Å; A65-F145 HydrophobicContact CB-CD2 4.47Å; A65-F145 HydrophobicContact CB-CE1 3.84Å; A65-F145 HydrophobicContact CB-CG 4.02Å; A65-F145 HydrophobicContact CB-CZ 4.3Å; A65-F634 HydrophobicContact CB-CD1 3.88Å; A65-F634 HydrophobicContact CB-CE1 3.61Å; A65-F634 HydrophobicContact CB-CZ 4.49Å
66T88.3Confident89.1Confident70 Ų7022.7 Ų22.743%0.42912%0.124SC..Hα-helixtrans-64.4-23.2173.768.90000113.3E62 T63 A64 T68 F634E62-T66 WeakPolarHBondContact O-CG2 3.46Å; E62-T66 PolarHBondContact O-N 3.2Å; T63-T66 PolarHBondContact O-N 3.48Å; T63-T66 PolarHBondContact O-OG1 2.97Å; A64-T66 VanDerWaalsContact C-N 3.31Å; A64-T66 PolarHBondContact O-N 3.12Å; T66-T68 VanDerWaalsContact C-N 3.27Å; T66-T68 PolarHBondContact O-N 3.33Å; T66-F634 HydrophobicContact CG2-CD1 4.13Å; T66-F634 HydrophobicContact CG2-CE1 3.64Å
67L90.3Very high89.3Confident5 Ų522 Ų223%0.02612%0.121CC..G310 helixtrans-84.91.3178.2-60.1174.9000112.8Q38 I39 T63 A64 A65 T69 K70 Y74Q38-L67 HydrophobicContact CG-CD1 4.39Å; I39-L67 HydrophobicContact CG1-CD1 3.81Å; T63-L67 PolarHBondContact O-N 2.83Å; A64-L67 WeakPolarHBondContact O-CB 3.29Å; A64-L67 PolarHBondContact O-N 3.13Å; A65-L67 PolarHBondContact O-N 3.41Å; L67-T69 PolarHBondContact O-N 3.35Å; L67-T69 VanDerWaalsContact O-N 3.16Å; L67-K70 HydrophobicContact CD2-CD 4.12Å; L67-K70 WeakPolarHBondContact O-CB 3.37Å; L67-K70 PolarHBondContact O-N 3.47Å; L67-Y74 HydrophobicContact CB-CD1 3.64Å; L67-Y74 HydrophobicContact CB-CD2 3.9Å; L67-Y74 HydrophobicContact CB-CE1 3.96Å; L67-Y74 HydrophobicContact CB-CE2 4.21Å; L67-Y74 HydrophobicContact CB-CG 3.61Å; L67-Y74 HydrophobicContact CD1-CD1 3.97Å; L67-Y74 HydrophobicContact CD1-CE1 3.62Å; L67-Y74 HydrophobicContact CG-CD1 4.47Å; L67-Y74 HydrophobicContact CG-CE1 4.45Å; L67-Y74 WeakPolarHBondContact O-CD2 3.47Å
68T87.5Confident89.4Confident7 Ų721.7 Ų21.74%0.04312%0.119CC..G310 helixtrans-56.7-29.8173.9-54.20000112.1A65 T66 K70 H71 A75 L642A65-T68 VanDerWaalsContact O-CB 3.27Å; A65-T68 WeakPolarHBondContact O-CB 3.41Å; A65-T68 PolarHBondContact O-N 2.99Å; A65-T68 VanDerWaalsContact O-N 3.14Å; A65-T68 PolarHBondContact O-OG1 3.1Å; T66-T68 VanDerWaalsContact C-N 3.27Å; T66-T68 PolarHBondContact O-N 3.33Å; T68-K70 PolarHBondContact O-N 3.34Å; T68-H71 CarbonylContact O-C 3.34Å; T68-H71 PolarHBondContact O-N 3.34Å; T68-A75 HydrophobicContact CG2-CB 3.86Å; T68-L642 WeakPolarHBondContact O-CD2 3.11Å
69T85.8Confident89.6Confident11 Ų1119.5 Ų19.57%0.06711%0.106CC..G310 helixtrans-68.7-11.5175.2690000113.4L67 Q635 W651 K656L67-T69 PolarHBondContact O-N 3.35Å; L67-T69 VanDerWaalsContact O-N 3.16Å; T69-Q635 HydrophobicContact CG2-CB 3.89Å; T69-Q635 WeakPolarHBondContact CG2-O 3.48Å; T69-W651 WeakPolarHBondContact O-CZ2 3.43Å; T69-W651 PolarHBondContact O-NE1 3.46Å; T69-W651 VanDerWaalsContact O-NE1 3.15Å; T69-K656 PolarHBondContact OG1-NZ 3.43Å
70K85.8Confident89.8Confident69 Ų6918.2 Ų18.230%0.310%0.097SC..THydrogen-bonded Turntrans-89.1-44.5174.6-64.6-168.3175.2-172.50111.8L67 T68 Y74 W651L67-K70 HydrophobicContact CD2-CD 4.12Å; L67-K70 WeakPolarHBondContact O-CB 3.37Å; L67-K70 PolarHBondContact O-N 3.47Å; T68-K70 PolarHBondContact O-N 3.34Å; K70-Y74 HydrophobicContact CB-CD2 4.47Å; K70-Y74 HydrophobicContact CB-CE2 4.29Å; K70-W651 PolarHBondContact O-NE1 3.35Å
71H86.9Confident89.9Confident8 Ų818.3 Ų18.34%0.03710%0.097CC..  trans-158.6142178.8-169.7-89.3000109.6F33 T68 D73 Y74F33-H71 HydrophobicContact CB-CB 3.77Å; F33-H71 AromaticContact CD2-CD2 3.43Å; F33-H71 VanDerWaalsContact CD2-CD2 3.43Å; F33-H71 WeakPolarHBondContact CD2-CD2 3.38Å; F33-H71 AromaticContact CD2-NE2 3.67Å; F33-H71 HydrophobicContact CG-CB 4.4Å; F33-H71 AromaticContact CG-CD2 3.56Å; T68-H71 CarbonylContact O-C 3.34Å; T68-H71 PolarHBondContact O-N 3.34Å; H71-D73 IonicContact CE1-OD1 3.42Å; H71-D73 IonicContact CE1-OD2 3.28Å; H71-D73 PolarHBondContact CE1-OD2 3.41Å; H71-D73 WeakPolarHBondContact ND1-CB 3.45Å; H71-D73 PolarHBondContact ND1-N 3.46Å; H71-D73 IonicContact ND1-OD1 3.85Å; H71-D73 IonicContact ND1-OD2 3.92Å; H71-D73 PolarHBondContact O-N 2.88Å; H71-Y74 HydrophobicContact CB-CD2 4.13Å; H71-Y74 HydrophobicContact CB-CE2 4.42Å; H71-Y74 PolarHBondContact O-N 3.05Å
72P84Confident90Very high19 Ų1918.6 Ų18.612%0.12310%0.099CC..THydrogen-bonded Turntrans-62.8-29.1-174.925.1-35.3000113.3Y74 A75 P639 L642P72-Y74 PolarHBondContact O-N 3.28Å; P72-Y74 VanDerWaalsContact O-N 3.12Å; P72-A75 VanDerWaalsContact O-CB 3.31Å; P72-A75 WeakPolarHBondContact O-CB 3.1Å; P72-A75 PolarHBondContact O-N 3.45Å; P72-P639 HydrophobicContact CB-CB 4.19Å; P72-L642 HydrophobicContact CB-CD2 4.5Å
73D88.1Confident90.2Very high29 Ų2916.4 Ų16.416%0.1559%0.089CC..Hα-helixtrans-61.1-22.1179.7-70.73.2000114L29 N30 V34 H71 A75 I76 L77L29-D73 WeakPolarHBondContact CA-OD2 3.5Å; L29-D73 HydrophobicContact CB-CB 4.22Å; L29-D73 HydrophobicContact CD2-CB 4.11Å; N30-D73 PolarHBondContact N-OD2 2.95Å; V34-D73 HydrophobicContact CG2-CB 3.66Å; H71-D73 IonicContact CE1-OD1 3.42Å; H71-D73 IonicContact CE1-OD2 3.28Å; H71-D73 PolarHBondContact CE1-OD2 3.41Å; H71-D73 WeakPolarHBondContact ND1-CB 3.45Å; H71-D73 PolarHBondContact ND1-N 3.46Å; H71-D73 IonicContact ND1-OD1 3.85Å; H71-D73 IonicContact ND1-OD2 3.92Å; H71-D73 PolarHBondContact O-N 2.88Å; D73-A75 PolarHBondContact O-N 3.14Å; D73-I76 WeakPolarHBondContact O-CB 3.43Å; D73-I76 PolarHBondContact O-N 2.69Å; D73-I76 VanDerWaalsContact O-N 3.12Å; D73-L77 PolarHBondContact O-N 3.23Å
74Y91.3Very high90.4Very high3 Ų316.6 Ų16.61%0.0129%0.091CC..Hα-helixtrans-62.7-31.3172.1-82.1-74.2000112.3F33 V34 D35 I39 L67 K70 H71 P72 I76 L77 A78F33-Y74 VanDerWaalsContact O-CE2 3.29Å; F33-Y74 WeakPolarHBondContact O-CE2 3.35Å; F33-Y74 PolarHBondContact O-OH 3.27Å; V34-Y74 WeakPolarHBondContact CA-OH 3.4Å; V34-Y74 HydrophobicContact CG1-CD1 4.5Å; V34-Y74 HydrophobicContact CG1-CE1 4.16Å; V34-Y74 HydrophobicContact CG2-CD2 4.41Å; V34-Y74 HydrophobicContact CG2-CE2 4.32Å; D35-Y74 PolarHBondContact N-OH 2.97Å; I39-Y74 HydrophobicContact CD1-CD1 4.16Å; I39-Y74 HydrophobicContact CD1-CE1 3.96Å; I39-Y74 HydrophobicContact CG1-CE1 4.22Å; L67-Y74 HydrophobicContact CB-CD1 3.64Å; L67-Y74 HydrophobicContact CB-CD2 3.9Å; L67-Y74 HydrophobicContact CB-CE1 3.96Å; L67-Y74 HydrophobicContact CB-CE2 4.21Å; L67-Y74 HydrophobicContact CB-CG 3.61Å; L67-Y74 HydrophobicContact CD1-CD1 3.97Å; L67-Y74 HydrophobicContact CD1-CE1 3.62Å; L67-Y74 HydrophobicContact CG-CD1 4.47Å; L67-Y74 HydrophobicContact CG-CE1 4.45Å; L67-Y74 WeakPolarHBondContact O-CD2 3.47Å; K70-Y74 HydrophobicContact CB-CD2 4.47Å; K70-Y74 HydrophobicContact CB-CE2 4.29Å; H71-Y74 HydrophobicContact CB-CD2 4.13Å; H71-Y74 HydrophobicContact CB-CE2 4.42Å; H71-Y74 PolarHBondContact O-N 3.05Å; P72-Y74 PolarHBondContact O-N 3.28Å; P72-Y74 VanDerWaalsContact O-N 3.12Å; Y74-I76 VanDerWaalsContact C-N 3.32Å; Y74-L77 PolarHBondContact O-N 2.89Å; Y74-A78 VanDerWaalsContact O-CB 3.23Å; Y74-A78 WeakPolarHBondContact O-CB 3.49Å; Y74-A78 PolarHBondContact O-N 3.12Å
75A87.3Confident90.5Very high11 Ų1117.3 Ų17.39%0.09110%0.095CC..Hα-helixtrans-67.7-34.1174.200000112T68 P72 D73 A79 F145T68-A75 HydrophobicContact CG2-CB 3.86Å; P72-A75 VanDerWaalsContact O-CB 3.31Å; P72-A75 WeakPolarHBondContact O-CB 3.1Å; P72-A75 PolarHBondContact O-N 3.45Å; D73-A75 PolarHBondContact O-N 3.14Å; A75-A79 PolarHBondContact O-N 3.46Å; A75-A79 VanDerWaalsContact O-N 3.15Å; A75-F145 PolarHBondContact O-N 2.84Å
76I88.1Confident90.7Very high57 Ų5717.7 Ų17.729%0.29210%0.097SC..Hα-helixtrans-69.8-48.5173.8-57.8176.2000109.1L29 D73 Y74 A78 A79 R80L29-I76 HydrophobicContact CD2-CB 4.16Å; L29-I76 HydrophobicContact CD2-CD1 4.44Å; L29-I76 HydrophobicContact CD2-CG2 3.94Å; D73-I76 WeakPolarHBondContact O-CB 3.43Å; D73-I76 PolarHBondContact O-N 2.69Å; D73-I76 VanDerWaalsContact O-N 3.12Å; Y74-I76 VanDerWaalsContact C-N 3.32Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 3.16Å; I76-A79 WeakPolarHBondContact O-CB 3.45Å; I76-A79 PolarHBondContact O-N 3.36Å; I76-A79 VanDerWaalsContact O-N 3.11Å; I76-R80 HydrophobicContact CG2-CG 4.32Å; I76-R80 WeakPolarHBondContact O-CG 3.31Å; I76-R80 PolarHBondContact O-N 3.47Å
77L93.7Very high91.1Very high0 Ų015.9 Ų15.90%08%0.083CC..Hα-helixtrans-58.5-44.5177.8-177.755.9000112I22 L25 L29 V34 I39 D73 Y74 A79 R80 I81I22-L77 HydrophobicContact CG2-CD1 4.17Å; I22-L77 HydrophobicContact CG2-CD2 3.98Å; I22-L77 HydrophobicContact CG2-CG 4.42Å; L25-L77 HydrophobicContact CB-CD1 3.84Å; L29-L77 HydrophobicContact CD1-CB 3.77Å; L29-L77 HydrophobicContact CD1-CD1 4.32Å; L29-L77 HydrophobicContact CD1-CG 4.46Å; V34-L77 HydrophobicContact CG1-CD2 3.69Å; I39-L77 HydrophobicContact CD1-CD2 3.47Å; I39-L77 VanDerWaalsContact CD1-CD2 3.47Å; I39-L77 HydrophobicContact CD1-CG 4.39Å; D73-L77 PolarHBondContact O-N 3.23Å; Y74-L77 PolarHBondContact O-N 2.89Å; L77-A79 VanDerWaalsContact C-N 3.31Å; L77-A79 PolarHBondContact O-N 2.92Å; L77-R80 PolarHBondContact O-N 3.33Å; L77-R80 VanDerWaalsContact O-N 3.15Å; L77-I81 HydrophobicContact CD1-CD1 4.36Å; L77-I81 HydrophobicContact CD1-CG1 4.38Å; L77-I81 HydrophobicContact CG-CD1 4.13Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 2.93Å
78A93.1Very high91.3Very high0 Ų022.2 Ų22.20%011%0.107CC..Hα-helixtrans-56.2-45.4174.500000111.8A61 A64 A65 Y74 I76 I81 A82 F145A61-A78 WeakPolarHBondContact CB-O 3.36Å; A61-A78 VanDerWaalsContact O-CB 3.26Å; A61-A78 WeakPolarHBondContact O-CB 3.43Å; A64-A78 HydrophobicContact CB-CB 3.77Å; A65-A78 HydrophobicContact CB-CB 3.9Å; Y74-A78 VanDerWaalsContact O-CB 3.23Å; Y74-A78 WeakPolarHBondContact O-CB 3.49Å; Y74-A78 PolarHBondContact O-N 3.12Å; I76-A78 VanDerWaalsContact C-N 3.33Å; I76-A78 PolarHBondContact O-N 3.16Å; A78-I81 PolarHBondContact O-N 3.34Å; A78-A82 PolarHBondContact O-N 3.35Å; A78-A82 VanDerWaalsContact O-N 3.11Å; A78-F145 HydrophobicContact CB-CB 3.92Å; A78-F145 HydrophobicContact CB-CD2 3.87Å; A78-F145 HydrophobicContact CB-CG 4.05Å
79A92.2Very high91.6Very high0 Ų024.4 Ų24.40%012%0.116CC..Hα-helixtrans-62-45.717500000111.6A75 I76 L77 I81 A82 V83 Y143 N144 F145A75-A79 PolarHBondContact O-N 3.46Å; A75-A79 VanDerWaalsContact O-N 3.15Å; I76-A79 WeakPolarHBondContact O-CB 3.45Å; I76-A79 PolarHBondContact O-N 3.36Å; I76-A79 VanDerWaalsContact O-N 3.11Å; L77-A79 VanDerWaalsContact C-N 3.31Å; L77-A79 PolarHBondContact O-N 2.92Å; A79-I81 VanDerWaalsContact C-N 3.31Å; A79-I81 PolarHBondContact O-N 3.47Å; A79-A82 PolarHBondContact O-N 3.14Å; A79-A82 VanDerWaalsContact O-N 3.12Å; A79-V83 WeakPolarHBondContact O-CB 3.4Å; A79-V83 VanDerWaalsContact O-CG2 3.24Å; A79-V83 WeakPolarHBondContact O-CG2 3.33Å; A79-V83 PolarHBondContact O-N 3.4Å; A79-Y143 WeakPolarHBondContact CB-O 3.46Å; A79-N144 VanDerWaalsContact CB-C 3.41Å; A79-F145 HydrophobicContact CB-CB 4.4Å
80R94.3Very high92.1Very high25 Ų2524.7 Ų24.79%0.09412%0.118CC..Hα-helixtrans-62.6-38.1-179.1-67.4-178.8-179.7178.71.4112.4L25 Y27 I76 L77 S84 F141L25-R80 HydrophobicContact CB-CB 4.2Å; L25-R80 WeakPolarHBondContact O-CD 3.46Å; L25-R80 PolarHBondContact O-NH1 3.13Å; Y27-R80 VanDerWaalsContact CE2-CZ 3.47Å; Y27-R80 VanDerWaalsContact CZ-CZ 3.49Å; Y27-R80 PolarHBondContact O-NH1 3.05Å; Y27-R80 PolarHBondContact O-NH2 2.87Å; I76-R80 HydrophobicContact CG2-CG 4.32Å; I76-R80 WeakPolarHBondContact O-CG 3.31Å; I76-R80 PolarHBondContact O-N 3.47Å; L77-R80 PolarHBondContact O-N 3.33Å; L77-R80 VanDerWaalsContact O-N 3.15Å; R80-S84 WeakPolarHBondContact O-CB 3.22Å; R80-S84 PolarHBondContact O-N 2.91Å; R80-F141 HydrophobicContact CB-CD1 3.92Å; R80-F141 HydrophobicContact CG-CB 4.12Å; R80-F141 HydrophobicContact CG-CD1 3.86Å; R80-F141 HydrophobicContact CG-CG 4.44Å
81I94.9Very high92.7Very high6 Ų625.9 Ų25.93%0.03112%0.123CC..Hα-helixtrans-62.7-48173.4-64.4163.9000109.9I22 L25 D57 A60 A61 A64 L77 A78 A79 S84 N85I22-I81 HydrophobicContact CG1-CD1 4.43Å; I22-I81 HydrophobicContact CG2-CD1 4.36Å; L25-I81 HydrophobicContact CD1-CB 4.38Å; L25-I81 HydrophobicContact CD1-CG1 3.77Å; D57-I81 VanDerWaalsContact O-CG2 3.3Å; D57-I81 WeakPolarHBondContact O-CG2 3.07Å; A60-I81 HydrophobicContact CB-CD1 4.5Å; A60-I81 HydrophobicContact CB-CG2 4.19Å; A61-I81 HydrophobicContact CB-CB 4.07Å; A61-I81 HydrophobicContact CB-CG2 3.91Å; A64-I81 HydrophobicContact CB-CD1 4.22Å; L77-I81 HydrophobicContact CD1-CD1 4.36Å; L77-I81 HydrophobicContact CD1-CG1 4.38Å; L77-I81 HydrophobicContact CG-CD1 4.13Å; L77-I81 VanDerWaalsContact O-CG1 3.31Å; L77-I81 WeakPolarHBondContact O-CG1 3.44Å; L77-I81 PolarHBondContact O-N 2.93Å; A78-I81 PolarHBondContact O-N 3.34Å; A79-I81 VanDerWaalsContact C-N 3.31Å; A79-I81 PolarHBondContact O-N 3.47Å; I81-S84 PolarHBondContact O-N 3.37Å; I81-N85 PolarHBondContact O-N 2.68Å
82A94.3Very high93.2Very high7 Ų732.1 Ų32.16%0.05815%0.15CC..Hα-helixtrans-63.4-42.6179.600000112.7A61 A78 A79 N85 L86 F148A61-A82 HydrophobicContact CB-CB 4.12Å; A78-A82 PolarHBondContact O-N 3.35Å; A78-A82 VanDerWaalsContact O-N 3.11Å; A79-A82 PolarHBondContact O-N 3.14Å; A79-A82 VanDerWaalsContact O-N 3.12Å; A82-N85 WeakPolarHBondContact O-CB 3.34Å; A82-N85 PolarHBondContact O-N 3.14Å; A82-L86 PolarHBondContact O-N 2.87Å; A82-F148 HydrophobicContact CB-CD1 3.77Å; A82-F148 HydrophobicContact CB-CE1 3.64Å
83V95.3Very high93.9Very high0 Ų033.8 Ų33.80%016%0.16CC..Hα-helixtrans-65.9-43.9176170.80000111.2A79 N85 L86 H87 D140 F141 F148A79-V83 WeakPolarHBondContact O-CB 3.4Å; A79-V83 VanDerWaalsContact O-CG2 3.24Å; A79-V83 WeakPolarHBondContact O-CG2 3.33Å; A79-V83 PolarHBondContact O-N 3.4Å; V83-N85 PolarHBondContact O-N 3.47Å; V83-L86 WeakPolarHBondContact O-CB 3.34Å; V83-L86 PolarHBondContact O-N 2.95Å; V83-L86 VanDerWaalsContact O-N 3.12Å; V83-H87 PolarHBondContact O-CD2 3.42Å; V83-H87 PolarHBondContact O-N 2.98Å; V83-D140 HydrophobicContact CG1-CB 3.55Å; V83-D140 WeakPolarHBondContact CG2-O 3.34Å; V83-F141 HydrophobicContact CB-CD1 4.02Å; V83-F141 HydrophobicContact CB-CE1 3.96Å; V83-F141 HydrophobicContact CG1-CD1 3.72Å; V83-F141 HydrophobicContact CG1-CE1 3.55Å; V83-F141 HydrophobicContact CG1-CE2 4.47Å; V83-F141 HydrophobicContact CG1-CG 4.27Å; V83-F141 HydrophobicContact CG1-CZ 3.95Å; V83-F148 HydrophobicContact CG2-CD2 3.59Å; V83-F148 HydrophobicContact CG2-CE2 3.71Å; V83-F148 HydrophobicContact CG2-CG 4.08Å; V83-F148 HydrophobicContact CG2-CZ 4.3Å
84S95.1Very high94.4Very high20 Ų2032.4 Ų32.414%0.1415%0.153CC..Hα-helixtrans-60.2-37.5175.5-176.90000111.7R80 I81 R88R80-S84 WeakPolarHBondContact O-CB 3.22Å; R80-S84 PolarHBondContact O-N 2.91Å; I81-S84 PolarHBondContact O-N 3.37Å; S84-R88 WeakPolarHBondContact O-CG 3.49Å; S84-R88 PolarHBondContact O-N 3.45Å
85N94Very high94.7Very high16 Ų1632.5 Ų32.59%0.08615%0.154CC..Hα-helixtrans-64.1-49.4172.3-171.929.9000111R6 D57 I81 A82 V83 H87 R88 E89R6-N85 PolarHBondContact NH2-OD1 2.77Å; D57-N85 HydrophobicContact CB-CB 3.91Å; I81-N85 PolarHBondContact O-N 2.68Å; A82-N85 WeakPolarHBondContact O-CB 3.34Å; A82-N85 PolarHBondContact O-N 3.14Å; V83-N85 PolarHBondContact O-N 3.47Å; N85-H87 VanDerWaalsContact C-N 3.31Å; N85-H87 PolarHBondContact O-N 2.74Å; N85-R88 PolarHBondContact O-N 3.44Å; N85-E89 PolarHBondContact O-N 3.12Å
86L95.4Very high95.3Very high9 Ų935 Ų355%0.04717%0.166CC..Hα-helixtrans-56.2-43.5177.3179.168.1000112.2A82 V83 R88 E89 T90 F148 L156 V163A82-L86 PolarHBondContact O-N 2.87Å; V83-L86 WeakPolarHBondContact O-CB 3.34Å; V83-L86 PolarHBondContact O-N 2.95Å; V83-L86 VanDerWaalsContact O-N 3.12Å; L86-R88 PolarHBondContact O-N 3.34Å; L86-E89 CarbonylContact O-C 3.49Å; L86-E89 PolarHBondContact O-N 3Å; L86-T90 HydrophobicContact CD1-CG2 3.64Å; L86-T90 HydrophobicContact CG-CG2 4.08Å; L86-T90 WeakPolarHBondContact O-CB 3.48Å; L86-T90 WeakPolarHBondContact O-CG2 3.4Å; L86-T90 PolarHBondContact O-N 2.92Å; L86-T90 VanDerWaalsContact O-N 3.08Å; L86-T90 PolarHBondContact O-OG1 3.24Å; L86-F148 HydrophobicContact CB-CZ 3.98Å; L86-F148 HydrophobicContact CD2-CE2 3.62Å; L86-F148 HydrophobicContact CD2-CZ 3.7Å; L86-F148 HydrophobicContact CG-CZ 4.38Å; L86-L156 HydrophobicContact CD2-CD1 4.11Å; L86-V163 HydrophobicContact CD1-CB 3.98Å; L86-V163 HydrophobicContact CD1-CG1 3.69Å
87H96.3Very high95.8Very high31 Ų3132.4 Ų32.414%0.14415%0.153CC..Hα-helixtrans-61.2-29.7178.7-77.2-165.9000113.1V83 N85 D140 F141 R166V83-H87 PolarHBondContact O-CD2 3.42Å; V83-H87 PolarHBondContact O-N 2.98Å; N85-H87 VanDerWaalsContact C-N 3.31Å; N85-H87 PolarHBondContact O-N 2.74Å; H87-D140 IonicContact CD2-OD2 3.96Å; H87-D140 IonicContact CE1-OD2 2.97Å; H87-D140 IonicContact NE2-OD2 3Å; H87-D140 PolarHBondContact NE2-OD2 2.86Å; H87-F141 AromaticContact CE1-CE2 3.87Å; H87-F141 AromaticContact CE1-CZ 3.94Å; H87-F141 AromaticContact ND1-CZ 3.95Å; H87-R166 PolarHBondContact O-NH2 2.84Å
88R93.8Very high96Very high139 Ų13932.4 Ų32.453%0.52515%0.153SC..Hα-helixtrans-79.5-21.2175.8-67.8177.7177.5-147.3-1.3113R6 S84 N85 L86R6-R88 VanDerWaalsContact CZ-CD 3.44Å; S84-R88 WeakPolarHBondContact O-CG 3.49Å; S84-R88 PolarHBondContact O-N 3.45Å; N85-R88 PolarHBondContact O-N 3.44Å; L86-R88 PolarHBondContact O-N 3.34Å
89E93.3Very high96.3Very high52 Ų5236 Ų3624%0.24317%0.169CC..Hα-helixtrans-97.2-4.6-179.2-65.4-56.2124.200113.7R6 V54 N85 L86 K162R6-E89 WeakPolarHBondContact CD-OE1 3.48Å; R6-E89 IonicContact CZ-OE1 3.34Å; R6-E89 IonicContact NE-OE1 3.13Å; R6-E89 PolarHBondContact NE-OE1 3.17Å; V54-E89 HydrophobicContact CG2-CG 4.49Å; N85-E89 PolarHBondContact O-N 3.12Å; L86-E89 CarbonylContact O-C 3.49Å; L86-E89 PolarHBondContact O-N 3Å; E89-K162 WeakPolarHBondContact OE2-CE 3.45Å; E89-K162 IonicContact OE2-NZ 2.77Å; E89-K162 PolarHBondContact OE2-NZ 3.16Å
90T96.9Very high96.6Very high17 Ų1738.6 Ų38.610%0.10418%0.183CC..SBendtrans-124.4148.3-174.852.30000111.7L86 R166L86-T90 HydrophobicContact CD1-CG2 3.64Å; L86-T90 HydrophobicContact CG-CG2 4.08Å; L86-T90 WeakPolarHBondContact O-CB 3.48Å; L86-T90 WeakPolarHBondContact O-CG2 3.4Å; L86-T90 PolarHBondContact O-N 2.92Å; L86-T90 VanDerWaalsContact O-N 3.08Å; L86-T90 PolarHBondContact O-OG1 3.24Å; T90-R166 PolarHBondContact O-NH2 3.3Å; T90-R166 WeakPolarHBondContact OG1-CG 3.42Å; T90-R166 PolarHBondContact OG1-NE 3.46Å
91K97.9Very high96.8Very high94 Ų9437.4 Ų37.441%0.40918%0.179SC..  trans-61.8148.3169.8-69.2-176.3177.9176.50109.9D96 V97 D100 R166 H169K91-D96 HydrophobicContact CD-CB 4.07Å; K91-V97 HydrophobicContact CB-CG2 3.78Å; K91-D100 VanDerWaalsContact CD-OD2 3.28Å; K91-D100 WeakPolarHBondContact CD-OD2 3.5Å; K91-D100 WeakPolarHBondContact CE-OD2 3.41Å; K91-D100 IonicContact NZ-OD1 3.71Å; K91-D100 PolarHBondContact NZ-OD1 3.46Å; K91-D100 IonicContact NZ-OD2 2.63Å; K91-D100 PolarHBondContact NZ-OD2 3.06Å; K91-R166 PolarHBondContact O-NE 3.48Å; K91-H169 PolarHBondContact O-CE1 3.26Å
92K97.8Very high96.9Very high139 Ų13938.9 Ų38.960%0.60418%0.184SC*.SBendtrans-83.2-45.9-179.3-174.6179.4176.6-176.30111.8Y137 H169K92-Y137 HydrophobicContact CG-CD2 4.34Å; K92-Y137 HydrophobicContact CG-CE2 4.02Å; K92-Y137 PolarHBondContact O-OH 3.27Å; K92-H169 PolarHBondContact O-NE2 2.92Å; K92-H169 VanDerWaalsContact O-NE2 3.16Å
93V98.5Very high97.1Very high55 Ų5542.9 Ų42.933%0.33321%0.205SC..  trans-75.6134.1-172.3-177.70000110.2S95 D96 V97 N132V93-S95 WeakPolarHBondContact CG1-OG 3.14Å; V93-D96 HydrophobicContact CB-CB 4.26Å; V93-V97 PolarHBondContact O-N 3.11Å; V93-N132 HydrophobicContact CG1-CB 4.45Å; V93-N132 WeakPolarHBondContact CG1-ND2 3.46Å; V93-N132 WeakPolarHBondContact CG1-OD1 3.39Å
94F98.7Very high97.2Very high0 Ų044.7 Ų44.70%021%0.212CC..Hα-helixtrans-70.1-46.4-174.7162.6-108.8000112.3D96 V97 M98 V124 L131 N132 I135 H169 M172 R173F94-D96 VanDerWaalsContact C-N 3.27Å; F94-D96 PolarHBondContact O-N 3.12Å; F94-V97 PolarHBondContact O-N 2.94Å; F94-V97 VanDerWaalsContact O-N 3.1Å; F94-M98 HydrophobicContact CD2-CE 3.93Å; F94-M98 HydrophobicContact CD2-CG 4.01Å; F94-M98 HydrophobicContact CD2-SD 4.39Å; F94-M98 HydrophobicContact CE1-CG 4.09Å; F94-M98 HydrophobicContact CE2-CE 3.55Å; F94-M98 HydrophobicContact CE2-CG 3.55Å; F94-M98 HydrophobicContact CE2-SD 3.59Å; F94-M98 VanDerWaalsContact CE2-SD 3.59Å; F94-M98 HydrophobicContact CG-CG 4.47Å; F94-M98 HydrophobicContact CZ-CE 4.44Å; F94-M98 HydrophobicContact CZ-CG 3.59Å; F94-M98 HydrophobicContact CZ-SD 3.9Å; F94-M98 WeakPolarHBondContact O-CG 3.37Å; F94-M98 PolarHBondContact O-N 3.32Å; F94-V124 HydrophobicContact CD1-CG1 4.06Å; F94-V124 HydrophobicContact CE1-CB 4.35Å; F94-V124 HydrophobicContact CE1-CG1 3.64Å; F94-V124 HydrophobicContact CE1-CG2 3.69Å; F94-V124 HydrophobicContact CZ-CG1 4.42Å; F94-V124 HydrophobicContact CZ-CG2 3.94Å; F94-L131 HydrophobicContact CD1-CB 4.39Å; F94-L131 HydrophobicContact CE1-CB 4.44Å; F94-N132 WeakPolarHBondContact CA-OD1 3.29Å; F94-N132 WeakPolarHBondContact CB-OD1 3.43Å; F94-N132 PolarHBondContact N-OD1 3.24Å; F94-I135 HydrophobicContact CB-CD1 3.37Å; F94-I135 HydrophobicContact CD1-CD1 4.22Å; F94-I135 HydrophobicContact CD2-CD1 4.18Å; F94-I135 HydrophobicContact CG-CD1 3.69Å; F94-H169 HydrophobicContact CD2-CB 4.03Å; F94-H169 AromaticContact CD2-CD2 3.93Å; F94-H169 WeakPolarHBondContact CE2-O 3.35Å; F94-M172 HydrophobicContact CD1-CG 4.08Å; F94-M172 HydrophobicContact CD2-CB 4.29Å; F94-M172 HydrophobicContact CD2-CG 4.46Å; F94-M172 HydrophobicContact CE1-CB 4.41Å; F94-M172 HydrophobicContact CE1-CG 3.64Å; F94-M172 HydrophobicContact CE2-CB 3.93Å; F94-M172 HydrophobicContact CE2-CG 4.06Å; F94-M172 HydrophobicContact CG-CG 4.47Å; F94-M172 HydrophobicContact CZ-CB 4.01Å; F94-M172 HydrophobicContact CZ-CG 3.63Å; F94-R173 HydrophobicContact CE2-CB 4.36Å
95S98.6Very high97.3Very high5 Ų547.2 Ų47.24%0.03523%0.226CC..Hα-helixtrans-55.5-41.7177.255.50000112.4V93 V97 M98 E99 N132V93-S95 WeakPolarHBondContact CG1-OG 3.14Å; S95-V97 VanDerWaalsContact C-N 3.31Å; S95-V97 PolarHBondContact O-N 3.37Å; S95-M98 WeakPolarHBondContact O-CB 3.5Å; S95-M98 PolarHBondContact O-N 2.86Å; S95-M98 VanDerWaalsContact O-N 3.14Å; S95-E99 PolarHBondContact O-N 2.79Å; S95-N132 PolarHBondContact N-OD1 2.96Å; S95-N132 PolarHBondContact OG-ND2 3.09Å
96D98.6Very high97.4Very high64 Ų6448.3 Ų48.334%0.34223%0.232SC..Hα-helixtrans-63.3-37.2179.3-60.46.5000112.2K91 V93 F94 D100K91-D96 HydrophobicContact CD-CB 4.07Å; V93-D96 HydrophobicContact CB-CB 4.26Å; F94-D96 VanDerWaalsContact C-N 3.27Å; F94-D96 PolarHBondContact O-N 3.12Å; D96-D100 PolarHBondContact O-N 3.42Å
97V98.6Very high97.4Very high2 Ų250.1 Ų50.11%0.01224%0.244CC..Hα-helixtrans-70.1-39.5175.6177.70000110.3K91 V93 F94 S95 E99 D100 L101 A164 E165K91-V97 HydrophobicContact CB-CG2 3.78Å; V93-V97 PolarHBondContact O-N 3.11Å; F94-V97 PolarHBondContact O-N 2.94Å; F94-V97 VanDerWaalsContact O-N 3.1Å; S95-V97 VanDerWaalsContact C-N 3.31Å; S95-V97 PolarHBondContact O-N 3.37Å; V97-E99 VanDerWaalsContact C-N 3.35Å; V97-D100 PolarHBondContact O-N 3.23Å; V97-L101 HydrophobicContact CG1-CD1 4.06Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.25Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.93Å; V97-A164 HydrophobicContact CG1-CB 4.47Å; V97-E165 HydrophobicContact CG1-CG 4.24Å
98M98.7Very high97.3Very high0 Ų057.7 Ų57.70%028%0.277CS..Hα-helixtrans-62.4-43.4175.6-65.7-56.510300111.1F94 S95 D100 L101 Y102 I116 L121 V124 R173F94-M98 HydrophobicContact CD2-CE 3.93Å; F94-M98 HydrophobicContact CD2-CG 4.01Å; F94-M98 HydrophobicContact CD2-SD 4.39Å; F94-M98 HydrophobicContact CE1-CG 4.09Å; F94-M98 HydrophobicContact CE2-CE 3.55Å; F94-M98 HydrophobicContact CE2-CG 3.55Å; F94-M98 HydrophobicContact CE2-SD 3.59Å; F94-M98 VanDerWaalsContact CE2-SD 3.59Å; F94-M98 HydrophobicContact CG-CG 4.47Å; F94-M98 HydrophobicContact CZ-CE 4.44Å; F94-M98 HydrophobicContact CZ-CG 3.59Å; F94-M98 HydrophobicContact CZ-SD 3.9Å; F94-M98 WeakPolarHBondContact O-CG 3.37Å; F94-M98 PolarHBondContact O-N 3.32Å; S95-M98 WeakPolarHBondContact O-CB 3.5Å; S95-M98 PolarHBondContact O-N 2.86Å; S95-M98 VanDerWaalsContact O-N 3.14Å; M98-D100 PolarHBondContact O-N 3.45Å; M98-L101 HydrophobicContact CE-CD1 3.59Å; M98-L101 PolarHBondContact O-N 3.37Å; M98-L101 HydrophobicContact SD-CD1 4.38Å; M98-Y102 WeakPolarHBondContact O-CB 3.34Å; M98-Y102 PolarHBondContact O-N 3.22Å; M98-I116 HydrophobicContact CB-CD1 3.67Å; M98-I116 HydrophobicContact CG-CD1 4.35Å; M98-I116 WeakPolarHBondContact O-CD1 3.44Å; M98-I116 HydrophobicContact SD-CD1 4.05Å; M98-I116 HydrophobicContact SD-CG2 4.29Å; M98-L121 HydrophobicContact CB-CD1 4.06Å; M98-V124 HydrophobicContact CB-CG1 4.29Å; M98-V124 HydrophobicContact CG-CG1 4.15Å; M98-V124 HydrophobicContact CG-CG2 4.45Å; M98-R173 HydrophobicContact SD-CB 4.25Å; M98-R173 HydrophobicContact SD-CG 4.46Å
99E98.5Very high97.4Very high74 Ų7455 Ų5535%0.34627%0.273SS..Hα-helixtrans-58.8-45.5172.9-74.7-175.5-131.300112.2S95 V97 L101 Y102 N103 L121 L125S95-E99 PolarHBondContact O-N 2.79Å; V97-E99 VanDerWaalsContact C-N 3.35Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-L101 PolarHBondContact O-N 3.47Å; E99-Y102 PolarHBondContact O-N 2.94Å; E99-N103 VanDerWaalsContact O-CB 3.23Å; E99-N103 WeakPolarHBondContact O-CB 3.31Å; E99-N103 VanDerWaalsContact O-CG 3.27Å; E99-N103 PolarHBondContact O-N 2.85Å; E99-N103 PolarHBondContact O-ND2 3.09Å; E99-L121 HydrophobicContact CG-CD1 3.93Å; E99-L125 HydrophobicContact CG-CD2 3.94Å; E99-L125 VanDerWaalsContact OE1-CD2 3.3Å; E99-L125 WeakPolarHBondContact OE1-CD2 3.27Å
100D98.4Very high97.6Very high56 Ų5659.9 Ų59.930%0.29929%0.294SS..Hα-helixtrans-60.5-42.8177.1-74.2-12.8000112.2K91 D96 V97 M98 N103 Y104 I159K91-D100 VanDerWaalsContact CD-OD2 3.28Å; K91-D100 WeakPolarHBondContact CD-OD2 3.5Å; K91-D100 WeakPolarHBondContact CE-OD2 3.41Å; K91-D100 IonicContact NZ-OD1 3.71Å; K91-D100 PolarHBondContact NZ-OD1 3.46Å; K91-D100 IonicContact NZ-OD2 2.63Å; K91-D100 PolarHBondContact NZ-OD2 3.06Å; D96-D100 PolarHBondContact O-N 3.42Å; V97-D100 PolarHBondContact O-N 3.23Å; M98-D100 PolarHBondContact O-N 3.45Å; D100-N103 PolarHBondContact O-N 3.24Å; D100-Y104 PolarHBondContact O-N 3.43Å; D100-I159 HydrophobicContact CB-CD1 3.82Å
101L98.3Very high97.5Very high0 Ų067.7 Ų67.70%032%0.321CS..Hα-helixtrans-67.7-37179.5-71.4173000112V97 M98 E99 M115 I116 L157 I159 A164 E165V97-L101 HydrophobicContact CG1-CD1 4.06Å; V97-L101 HydrophobicContact CG1-CG 4.33Å; V97-L101 WeakPolarHBondContact O-CB 3.44Å; V97-L101 VanDerWaalsContact O-CG 3.25Å; V97-L101 WeakPolarHBondContact O-CG 3.49Å; V97-L101 PolarHBondContact O-N 2.93Å; M98-L101 HydrophobicContact CE-CD1 3.59Å; M98-L101 PolarHBondContact O-N 3.37Å; M98-L101 HydrophobicContact SD-CD1 4.38Å; E99-L101 VanDerWaalsContact C-N 3.34Å; E99-L101 PolarHBondContact O-N 3.47Å; L101-M115 HydrophobicContact CB-CB 4.36Å; L101-M115 HydrophobicContact CD2-CB 4.39Å; L101-M115 HydrophobicContact CD2-SD 3.85Å; L101-M115 PolarHBondContact O-N 2.98Å; L101-I116 HydrophobicContact CB-CG1 4.33Å; L101-I116 HydrophobicContact CB-CG2 4.09Å; L101-I116 HydrophobicContact CD1-CG2 4.14Å; L101-L157 HydrophobicContact CD1-CB 4.37Å; L101-L157 HydrophobicContact CD1-CD1 3.87Å; L101-L157 HydrophobicContact CD2-CB 3.8Å; L101-L157 HydrophobicContact CD2-CD1 4.27Å; L101-I159 HydrophobicContact CD2-CD1 4.21Å; L101-I159 HydrophobicContact CD2-CG1 4.1Å; L101-A164 HydrophobicContact CD2-CB 4.17Å; L101-E165 HydrophobicContact CD1-CG 3.91Å
102Y98.4Very high97.5Very high37 Ų3767.6 Ų67.615%0.14532%0.322CS..Hα-helixtrans-71-45.9174.7-177.7-99.3000111.1M98 E99 Y104 H112 P114 I116 R118 L121M98-Y102 WeakPolarHBondContact O-CB 3.34Å; M98-Y102 PolarHBondContact O-N 3.22Å; E99-Y102 PolarHBondContact O-N 2.94Å; Y102-Y104 PolarHBondContact O-N 2.9Å; Y102-Y104 VanDerWaalsContact O-N 3.13Å; Y102-H112 AromaticContact CE1-CE1 4Å; Y102-H112 PolarHBondContact O-NE2 2.91Å; Y102-P114 HydrophobicContact CD2-CB 3.78Å; Y102-P114 HydrophobicContact CE2-CB 3.99Å; Y102-P114 HydrophobicContact CG-CB 4.39Å; Y102-P114 WeakPolarHBondContact O-CA 3.38Å; Y102-P114 WeakPolarHBondContact O-CB 3.18Å; Y102-I116 HydrophobicContact CD2-CG1 4.3Å; Y102-R118 HydrophobicContact CE2-CB 3.85Å; Y102-R118 HydrophobicContact CE2-CG 4.5Å; Y102-R118 VanDerWaalsContact OH-CD 3.31Å; Y102-R118 WeakPolarHBondContact OH-CD 3.38Å; Y102-L121 HydrophobicContact CD1-CD2 3.49Å; Y102-L121 VanDerWaalsContact CD1-CD2 3.49Å; Y102-L121 HydrophobicContact CD2-CB 4.5Å; Y102-L121 HydrophobicContact CD2-CD2 4.13Å; Y102-L121 HydrophobicContact CE1-CD2 4.16Å; Y102-L121 HydrophobicContact CG-CD2 3.48Å; Y102-L121 VanDerWaalsContact CG-CD2 3.48Å
103N98.2Very high97.4Very high91 Ų9163.1 Ų63.149%0.48731%0.308SS..SBendtrans-77.36.7-176.3-68.2-39.9000113.8E99 D100 V105E99-N103 VanDerWaalsContact O-CB 3.23Å; E99-N103 WeakPolarHBondContact O-CB 3.31Å; E99-N103 VanDerWaalsContact O-CG 3.27Å; E99-N103 PolarHBondContact O-N 2.85Å; E99-N103 PolarHBondContact O-ND2 3.09Å; D100-N103 PolarHBondContact O-N 3.24Å; N103-V105 PolarHBondContact O-N 2.96Å
104Y97.9Very high97.4Very high37 Ų3762.2 Ų62.215%0.14530%0.303CS..  trans-57.7124.1-179.6177.1-107.7000112.3D100 Y102 N106 P107 H112 S113 M115 I159D100-Y104 PolarHBondContact O-N 3.43Å; Y102-Y104 PolarHBondContact O-N 2.9Å; Y102-Y104 VanDerWaalsContact O-N 3.13Å; Y104-N106 HydrophobicContact CE1-CB 4.15Å; Y104-P107 WeakPolarHBondContact OH-CD 3.42Å; Y104-H112 PolarHBondContact O-CD2 3.37Å; Y104-S113 WeakPolarHBondContact CD1-O 3.38Å; Y104-S113 PolarHBondContact O-N 3.26Å; Y104-M115 HydrophobicContact CD1-CE 3.46Å; Y104-M115 VanDerWaalsContact CD1-CE 3.46Å; Y104-M115 HydrophobicContact CD2-CE 3.8Å; Y104-M115 HydrophobicContact CE1-CE 3.65Å; Y104-M115 HydrophobicContact CE2-CE 3.99Å; Y104-M115 HydrophobicContact CG-CE 3.52Å; Y104-I159 HydrophobicContact CD2-CG1 4.5Å; Y104-I159 HydrophobicContact CD2-CG2 3.98Å; Y104-I159 HydrophobicContact CE2-CG2 4.13Å
105V97.2Very high97.3Very high73 Ų7364 Ų6444%0.44231%0.312SS..BIsolated β-bridgetrans-109.9122.9171.7178.70000108.1N103 R111N103-V105 PolarHBondContact O-N 2.96Å; V105-R111 WeakPolarHBondContact CA-O 3.08Å
106N94.9Very high97.2Very high39 Ų3963.8 Ų63.821%0.20931%0.311CS..  trans-64.1124.9179.9174.1-46.3000109.7Y104 F108 N109 K110 R111Y104-N106 HydrophobicContact CE1-CB 4.15Å; N106-F108 PolarHBondContact O-N 3.39Å; N106-F108 WeakPolarHBondContact OD1-CB 3.4Å; N106-F108 PolarHBondContact OD1-N 2.86Å; N106-N109 VanDerWaalsContact CB-OD1 3.29Å; N106-N109 WeakPolarHBondContact CB-OD1 3.06Å; N106-N109 PolarHBondContact OD1-N 3.47Å; N106-K110 VanDerWaalsContact O-CA 3.26Å; N106-K110 WeakPolarHBondContact O-CA 3.45Å; N106-K110 PolarHBondContact O-N 2.73Å; N106-R111 PolarHBondContact N-O 3.38Å
107P95.1Very high97.2Very high47 Ų4761.6 Ų61.631%0.30530%0.3SS..THydrogen-bonded Turntrans-67.1-23.2-17126.6-36000113.4Y104 K110 N160Y104-P107 WeakPolarHBondContact OH-CD 3.42Å; P107-K110 WeakPolarHBondContact O-CD 3.39Å; P107-K110 VanDerWaalsContact O-CE 3.23Å; P107-K110 WeakPolarHBondContact O-CE 3.25Å; P107-K110 PolarHBondContact O-NZ 3.13Å; P107-N160 WeakPolarHBondContact CD-OD1 3.3Å; P107-N160 WeakPolarHBondContact CG-OD1 3.48Å
108F95.1Very high97.1Very high191 Ų19167.9 Ų67.984%0.83832%0.324SS*.THydrogen-bonded Turntrans-87.7-41.6-175.7-59.7-72.6000112.9N106N106-F108 PolarHBondContact O-N 3.39Å; N106-F108 WeakPolarHBondContact OD1-CB 3.4Å; N106-F108 PolarHBondContact OD1-N 2.86Å
109N96.2Very high97.1Very high81 Ų8172.3 Ų72.343%0.43335%0.345SS..THydrogen-bonded Turntrans-105.8-4.1-177.970.419.3000113.9N106 R111N106-N109 VanDerWaalsContact CB-OD1 3.29Å; N106-N109 WeakPolarHBondContact CB-OD1 3.06Å; N106-N109 PolarHBondContact OD1-N 3.47Å; N109-R111 PolarHBondContact O-N 2.91Å; N109-R111 VanDerWaalsContact O-N 3.1Å; N109-R111 WeakPolarHBondContact OD1-CB 3.26Å; N109-R111 PolarHBondContact OD1-N 3.19Å
110K96.1Very high97.1Very high156 Ų15669.2 Ų69.268%0.67833%0.331SS*.  trans57.519.2-179.9-50.4-55.5-172.9-169.60114.5N106 P107N106-K110 VanDerWaalsContact O-CA 3.26Å; N106-K110 WeakPolarHBondContact O-CA 3.45Å; N106-K110 PolarHBondContact O-N 2.73Å; P107-K110 WeakPolarHBondContact O-CD 3.39Å; P107-K110 VanDerWaalsContact O-CE 3.23Å; P107-K110 WeakPolarHBondContact O-CE 3.25Å; P107-K110 PolarHBondContact O-NZ 3.13Å
111R96.8Very high97.1Very high181 Ų18166.9 Ų66.968%0.68332%0.318SS*.  trans-90.1141176.1-63-175.1178.1-178.9-1.4110.4V105 N106 N109 S113V105-R111 WeakPolarHBondContact CA-O 3.08Å; N106-R111 PolarHBondContact N-O 3.38Å; N109-R111 PolarHBondContact O-N 2.91Å; N109-R111 VanDerWaalsContact O-N 3.1Å; N109-R111 WeakPolarHBondContact OD1-CB 3.26Å; N109-R111 PolarHBondContact OD1-N 3.19Å; R111-S113 PolarHBondContact O-N 2.96Å; R111-S113 PolarHBondContact O-OG 3.27Å
112H97.3Very high97.1Very high91 Ų9169.1 Ų69.142%0.42133%0.33SS..BIsolated β-bridgetrans-64.9120.7167.2-178.6-126.1000109Y102 Y104Y102-H112 AromaticContact CE1-CE1 4Å; Y102-H112 PolarHBondContact O-NE2 2.91Å; Y104-H112 PolarHBondContact O-CD2 3.37Å
113S95.9Very high97.1Very high45 Ų4567.6 Ų67.632%0.31533%0.325SS..  trans-134.769.7-172.5-67.50000109.1Y104 R111 M115Y104-S113 WeakPolarHBondContact CD1-O 3.38Å; Y104-S113 PolarHBondContact O-N 3.26Å; R111-S113 PolarHBondContact O-N 2.96Å; R111-S113 PolarHBondContact O-OG 3.27Å; S113-M115 PolarHBondContact O-N 2.69Å
114P97Very high97.1Very high36 Ų3663.3 Ų63.323%0.23430%0.301CS..  trans-57.2135-17323.5-33.8000111.6Y102 T211Y102-P114 HydrophobicContact CD2-CB 3.78Å; Y102-P114 HydrophobicContact CE2-CB 3.99Å; Y102-P114 HydrophobicContact CG-CB 4.39Å; Y102-P114 WeakPolarHBondContact O-CA 3.38Å; Y102-P114 WeakPolarHBondContact O-CB 3.18Å; P114-T211 HydrophobicContact CB-CG2 4.36Å; P114-T211 HydrophobicContact CG-CG2 4.1Å; P114-T211 WeakPolarHBondContact O-CG2 3.45Å
115M97Very high97.2Very high39 Ų3964.2 Ų64.219%0.19231%0.309CS..SBendtrans-88.2-24.5176.5-60.1-173.1-16600112.5L101 Y104 S113 L157 K158 I159 T210L101-M115 HydrophobicContact CB-CB 4.36Å; L101-M115 HydrophobicContact CD2-CB 4.39Å; L101-M115 HydrophobicContact CD2-SD 3.85Å; L101-M115 PolarHBondContact O-N 2.98Å; Y104-M115 HydrophobicContact CD1-CE 3.46Å; Y104-M115 VanDerWaalsContact CD1-CE 3.46Å; Y104-M115 HydrophobicContact CD2-CE 3.8Å; Y104-M115 HydrophobicContact CE1-CE 3.65Å; Y104-M115 HydrophobicContact CE2-CE 3.99Å; Y104-M115 HydrophobicContact CG-CE 3.52Å; S113-M115 PolarHBondContact O-N 2.69Å; M115-L157 HydrophobicContact CB-CD1 4.46Å; M115-K158 WeakPolarHBondContact CE-O 3.24Å; M115-I159 HydrophobicContact CE-CG1 4.41Å; M115-T210 WeakPolarHBondContact O-CB 3.24Å; M115-T210 WeakPolarHBondContact O-CG2 3.43Å
116I97.6Very high97.2Very high0 Ų067.7 Ų67.70%032%0.32CS..SBendtrans-109.5155.6172.864.7168.5000110.9M98 L101 Y102 L121 L157 G209M98-I116 HydrophobicContact CB-CD1 3.67Å; M98-I116 HydrophobicContact CG-CD1 4.35Å; M98-I116 WeakPolarHBondContact O-CD1 3.44Å; M98-I116 HydrophobicContact SD-CD1 4.05Å; M98-I116 HydrophobicContact SD-CG2 4.29Å; L101-I116 HydrophobicContact CB-CG1 4.33Å; L101-I116 HydrophobicContact CB-CG2 4.09Å; L101-I116 HydrophobicContact CD1-CG2 4.14Å; Y102-I116 HydrophobicContact CD2-CG1 4.3Å; I116-L121 HydrophobicContact CD1-CB 4.05Å; I116-L121 HydrophobicContact CD1-CD1 4.22Å; I116-L157 HydrophobicContact CG2-CD1 4.44Å; I116-G209 WeakPolarHBondContact CA-O 3.4Å; I116-G209 WeakPolarHBondContact CB-O 3.32Å
117S97.7Very high97.4Very high18 Ų1868.3 Ų68.313%0.12632%0.323CS..  trans-70.5154.2177.184.10000111.3E119 T120 L121 G209S117-E119 VanDerWaalsContact C-N 3.34Å; S117-T120 PolarHBondContact O-N 3.32Å; S117-T120 WeakPolarHBondContact OG-CB 3.32Å; S117-T120 PolarHBondContact OG-N 2.88Å; S117-T120 PolarHBondContact OG-OG1 3.22Å; S117-L121 PolarHBondContact O-N 3.5Å; S117-L121 VanDerWaalsContact O-N 3.14Å; S117-G209 PolarHBondContact N-O 3.48Å
118R97.7Very high97.5Very high133 Ų13370.6 Ų70.650%0.50233%0.329SS..Hα-helixtrans-61.6-44.8173.517864.6-162.6-148.310.9111.2Y102 T120 L121 D122Y102-R118 HydrophobicContact CE2-CB 3.85Å; Y102-R118 HydrophobicContact CE2-CG 4.5Å; Y102-R118 VanDerWaalsContact OH-CD 3.31Å; Y102-R118 WeakPolarHBondContact OH-CD 3.38Å; R118-T120 VanDerWaalsContact C-N 3.34Å; R118-T120 PolarHBondContact O-N 2.87Å; R118-L121 PolarHBondContact O-N 3.4Å; R118-L121 VanDerWaalsContact O-N 3.14Å; R118-D122 WeakPolarHBondContact CG-OD2 3.45Å; R118-D122 IonicContact CZ-OD1 2.65Å; R118-D122 IonicContact CZ-OD2 3.33Å; R118-D122 VanDerWaalsContact NE-CG 3.25Å; R118-D122 IonicContact NE-OD1 3.99Å; R118-D122 PolarHBondContact NE-OD1 2.73Å; R118-D122 IonicContact NE-OD2 2.71Å; R118-D122 PolarHBondContact NE-OD2 3.12Å; R118-D122 IonicContact NH2-OD1 3.86Å; R118-D122 PolarHBondContact NH2-OD1 2.81Å; R118-D122 IonicContact NH2-OD2 2.75Å; R118-D122 PolarHBondContact O-N 2.97Å
119E97.8Very high97.6Very high94 Ų9467.3 Ų67.344%0.43932%0.32SS..Hα-helixtrans-54.4-48.6177.4-179.9-176.4-163.200111.6S117 L121 D122 I123 K180S117-E119 VanDerWaalsContact C-N 3.34Å; E119-L121 PolarHBondContact O-N 3.38Å; E119-D122 PolarHBondContact O-N 2.99Å; E119-I123 HydrophobicContact CG-CD1 4.1Å; E119-I123 WeakPolarHBondContact O-CG1 3.41Å; E119-I123 PolarHBondContact O-N 3.18Å; E119-I123 VanDerWaalsContact O-N 3.12Å; E119-K180 VanDerWaalsContact CD-NZ 3.31Å; E119-K180 WeakPolarHBondContact OE1-CD 3.32Å; E119-K180 VanDerWaalsContact OE1-CE 3.32Å; E119-K180 WeakPolarHBondContact OE1-CE 3.35Å; E119-K180 IonicContact OE1-NZ 2.64Å; E119-K180 PolarHBondContact OE1-NZ 2.8Å; E119-K180 IonicContact OE2-NZ 3.82Å; E119-K180 PolarHBondContact OE2-NZ 3.44Å; E119-K180 VanDerWaalsContact OE2-NZ 3.16Å
120T98.2Very high97.7Very high9 Ų967.7 Ų67.76%0.05532%0.321CS..Hα-helixtrans-63.4-41.8177.9-56.70000111.7S117 R118 V124 V176 G209S117-T120 PolarHBondContact O-N 3.32Å; S117-T120 WeakPolarHBondContact OG-CB 3.32Å; S117-T120 PolarHBondContact OG-N 2.88Å; S117-T120 PolarHBondContact OG-OG1 3.22Å; R118-T120 VanDerWaalsContact C-N 3.34Å; R118-T120 PolarHBondContact O-N 2.87Å; T120-V124 WeakPolarHBondContact O-CB 3.39Å; T120-V124 VanDerWaalsContact O-CG2 3.22Å; T120-V124 WeakPolarHBondContact O-CG2 3.41Å; T120-V124 PolarHBondContact O-N 3.03Å; T120-V176 HydrophobicContact CG2-CG1 4.14Å; T120-G209 WeakPolarHBondContact OG1-CA 3.45Å; T120-G209 PolarHBondContact OG1-O 3.4Å
121L98.6Very high97.8Very high6 Ų660.2 Ų60.23%0.03129%0.289CS..Hα-helixtrans-62.4-46.6177178.565.9000111.4M98 E99 Y102 I116 S117 R118 E119 I123 V124 L125M98-L121 HydrophobicContact CB-CD1 4.06Å; E99-L121 HydrophobicContact CG-CD1 3.93Å; Y102-L121 HydrophobicContact CD1-CD2 3.49Å; Y102-L121 VanDerWaalsContact CD1-CD2 3.49Å; Y102-L121 HydrophobicContact CD2-CB 4.5Å; Y102-L121 HydrophobicContact CD2-CD2 4.13Å; Y102-L121 HydrophobicContact CE1-CD2 4.16Å; Y102-L121 HydrophobicContact CG-CD2 3.48Å; Y102-L121 VanDerWaalsContact CG-CD2 3.48Å; I116-L121 HydrophobicContact CD1-CB 4.05Å; I116-L121 HydrophobicContact CD1-CD1 4.22Å; S117-L121 PolarHBondContact O-N 3.5Å; S117-L121 VanDerWaalsContact O-N 3.14Å; R118-L121 PolarHBondContact O-N 3.4Å; R118-L121 VanDerWaalsContact O-N 3.14Å; E119-L121 PolarHBondContact O-N 3.38Å; L121-I123 PolarHBondContact O-N 3.22Å; L121-V124 PolarHBondContact O-N 3.37Å; L121-V124 VanDerWaalsContact O-N 3.13Å; L121-L125 HydrophobicContact CD1-CD1 3.98Å; L121-L125 HydrophobicContact CD1-CD2 4.32Å; L121-L125 HydrophobicContact CD1-CG 3.91Å; L121-L125 HydrophobicContact CD2-CD1 4.25Å; L121-L125 HydrophobicContact CG-CD1 3.83Å; L121-L125 HydrophobicContact CG-CG 4.12Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.33Å
122D98.6Very high97.9Very high47 Ų4753.2 Ų53.225%0.25127%0.265SS..Hα-helixtrans-59.2-48.1-178-70.1-30.2000110.8R118 E119 V124 L125 E126R118-D122 WeakPolarHBondContact CG-OD2 3.45Å; R118-D122 IonicContact CZ-OD1 2.65Å; R118-D122 IonicContact CZ-OD2 3.33Å; R118-D122 VanDerWaalsContact NE-CG 3.25Å; R118-D122 IonicContact NE-OD1 3.99Å; R118-D122 PolarHBondContact NE-OD1 2.73Å; R118-D122 IonicContact NE-OD2 2.71Å; R118-D122 PolarHBondContact NE-OD2 3.12Å; R118-D122 IonicContact NH2-OD1 3.86Å; R118-D122 PolarHBondContact NH2-OD1 2.81Å; R118-D122 IonicContact NH2-OD2 2.75Å; R118-D122 PolarHBondContact O-N 2.97Å; E119-D122 PolarHBondContact O-N 2.99Å; D122-V124 VanDerWaalsContact C-N 3.3Å; D122-V124 PolarHBondContact O-N 2.9Å; D122-L125 PolarHBondContact O-N 2.71Å; D122-L125 VanDerWaalsContact O-N 3.14Å; D122-E126 WeakPolarHBondContact O-CB 3.37Å; D122-E126 VanDerWaalsContact O-CG 3.31Å; D122-E126 WeakPolarHBondContact O-CG 3.26Å; D122-E126 PolarHBondContact O-N 2.9Å
123I98.6Very high97.9Very high6 Ų653.2 Ų53.23%0.03128%0.275CS..Hα-helixtrans-57.8-43.2175-66.2164.9000111.4E119 L121 N127 V176 K180 E181 I183E119-I123 HydrophobicContact CG-CD1 4.1Å; E119-I123 WeakPolarHBondContact O-CG1 3.41Å; E119-I123 PolarHBondContact O-N 3.18Å; E119-I123 VanDerWaalsContact O-N 3.12Å; L121-I123 PolarHBondContact O-N 3.22Å; I123-N127 WeakPolarHBondContact O-CB 3.38Å; I123-N127 PolarHBondContact O-N 3.11Å; I123-N127 VanDerWaalsContact O-N 3.14Å; I123-N127 PolarHBondContact O-ND2 3.02Å; I123-V176 HydrophobicContact CB-CG1 4.45Å; I123-V176 HydrophobicContact CG2-CG1 3.89Å; I123-K180 HydrophobicContact CD1-CB 3.87Å; I123-K180 HydrophobicContact CD1-CG 4.5Å; I123-E181 HydrophobicContact CD1-CG 4.22Å; I123-E181 HydrophobicContact CG1-CG 4.27Å; I123-I183 HydrophobicContact CG2-CD1 3.88Å
124V98.7Very high98Very high0 Ų052.1 Ų52.10%027%0.269CS..Hα-helixtrans-63.7-42178.4168.10000111.4F94 M98 T120 L121 D122 N127 K128 L131 V176F94-V124 HydrophobicContact CD1-CG1 4.06Å; F94-V124 HydrophobicContact CE1-CB 4.35Å; F94-V124 HydrophobicContact CE1-CG1 3.64Å; F94-V124 HydrophobicContact CE1-CG2 3.69Å; F94-V124 HydrophobicContact CZ-CG1 4.42Å; F94-V124 HydrophobicContact CZ-CG2 3.94Å; M98-V124 HydrophobicContact CB-CG1 4.29Å; M98-V124 HydrophobicContact CG-CG1 4.15Å; M98-V124 HydrophobicContact CG-CG2 4.45Å; T120-V124 WeakPolarHBondContact O-CB 3.39Å; T120-V124 VanDerWaalsContact O-CG2 3.22Å; T120-V124 WeakPolarHBondContact O-CG2 3.41Å; T120-V124 PolarHBondContact O-N 3.03Å; L121-V124 PolarHBondContact O-N 3.37Å; L121-V124 VanDerWaalsContact O-N 3.13Å; D122-V124 VanDerWaalsContact C-N 3.3Å; D122-V124 PolarHBondContact O-N 2.9Å; V124-N127 CarbonylContact O-C 3.59Å; V124-N127 PolarHBondContact O-N 3.24Å; V124-K128 WeakPolarHBondContact O-CA 3.39Å; V124-K128 WeakPolarHBondContact O-CB 3.22Å; V124-K128 PolarHBondContact O-N 3.33Å; V124-L131 HydrophobicContact CB-CD1 4.45Å; V124-L131 HydrophobicContact CG2-CD1 4.22Å; V124-V176 HydrophobicContact CG2-CG1 4.12Å
125L98.5Very high98.1Very high56 Ų5651 Ų5129%0.29326%0.261SS..Hα-helixtrans-71.5-39.7-178.2-68.8-179.9000112.2E99 L121 D122 N127E99-L125 HydrophobicContact CG-CD2 3.94Å; E99-L125 VanDerWaalsContact OE1-CD2 3.3Å; E99-L125 WeakPolarHBondContact OE1-CD2 3.27Å; L121-L125 HydrophobicContact CD1-CD1 3.98Å; L121-L125 HydrophobicContact CD1-CD2 4.32Å; L121-L125 HydrophobicContact CD1-CG 3.91Å; L121-L125 HydrophobicContact CD2-CD1 4.25Å; L121-L125 HydrophobicContact CG-CD1 3.83Å; L121-L125 HydrophobicContact CG-CG 4.12Å; L121-L125 WeakPolarHBondContact O-CG 3.37Å; L121-L125 PolarHBondContact O-N 3.33Å; D122-L125 PolarHBondContact O-N 2.71Å; D122-L125 VanDerWaalsContact O-N 3.14Å; L125-N127 VanDerWaalsContact C-N 3.25Å; L125-N127 PolarHBondContact O-N 3.48Å
126E98.5Very high98.2Very high147 Ų14752.7 Ų52.769%0.68727%0.27SS*.Hα-helixtrans-63.2-33175.5-72.7172.8-175.900112D122D122-E126 WeakPolarHBondContact O-CB 3.37Å; D122-E126 VanDerWaalsContact O-CG 3.31Å; D122-E126 WeakPolarHBondContact O-CG 3.26Å; D122-E126 PolarHBondContact O-N 2.9Å
127N98.5Very high98.2Very high51 Ų5154 Ų5427%0.27328%0.275SS..THydrogen-bonded Turntrans-112.320.6-176.1-60.6-80.1000113.3I123 V124 L125 D129 L130 L131 I183I123-N127 WeakPolarHBondContact O-CB 3.38Å; I123-N127 PolarHBondContact O-N 3.11Å; I123-N127 VanDerWaalsContact O-N 3.14Å; I123-N127 PolarHBondContact O-ND2 3.02Å; V124-N127 CarbonylContact O-C 3.59Å; V124-N127 PolarHBondContact O-N 3.24Å; L125-N127 VanDerWaalsContact C-N 3.25Å; L125-N127 PolarHBondContact O-N 3.48Å; N127-D129 VanDerWaalsContact C-N 3.3Å; N127-D129 PolarHBondContact O-N 3.17Å; N127-L130 PolarHBondContact O-N 3.36Å; N127-L131 HydrophobicContact CB-CD1 3.93Å; N127-L131 HydrophobicContact CB-CG 4.18Å; N127-L131 PolarHBondContact O-N 3.4Å; N127-I183 HydrophobicContact CB-CD1 4.14Å; N127-I183 HydrophobicContact CB-CG1 4.25Å
128K97.6Very high98.1Very high96 Ų9658.9 Ų58.942%0.41730%0.299SS..Hα-helixtrans-57.5-39.3-166.272.3-175.6-176.71790113.6V124 N132V124-K128 WeakPolarHBondContact O-CA 3.39Å; V124-K128 WeakPolarHBondContact O-CB 3.22Å; V124-K128 PolarHBondContact O-N 3.33Å; K128-N132 WeakPolarHBondContact O-CB 3.48Å; K128-N132 PolarHBondContact O-N 2.97Å; K128-N132 PolarHBondContact O-ND2 3.27Å
129D97.4Very high98.1Very high122 Ų12254.1 Ų54.165%0.65228%0.282SS*.Hα-helixtrans-68.6-41.7-173.1-65.5-29.2000110.6N127 S133N127-D129 VanDerWaalsContact C-N 3.3Å; N127-D129 PolarHBondContact O-N 3.17Å; D129-S133 WeakPolarHBondContact O-CB 3.39Å; D129-S133 PolarHBondContact O-N 2.78Å; D129-S133 PolarHBondContact O-OG 2.87Å
130L97.8Very high98.1Very high88 Ų8849.7 Ų49.746%0.46126%0.261SS..Hα-helixtrans-69.1-49.8176.4-179.459.1000111.3N127 N132 S133 A134 I183N127-L130 PolarHBondContact O-N 3.36Å; L130-N132 PolarHBondContact O-N 3.24Å; L130-S133 PolarHBondContact O-N 3.09Å; L130-S133 PolarHBondContact O-OG 2.93Å; L130-A134 WeakPolarHBondContact O-CB 3.27Å; L130-A134 PolarHBondContact O-N 3.36Å; L130-I183 HydrophobicContact CD2-CG2 3.62Å; L130-I183 HydrophobicContact CG-CG2 4.33Å
131L98.3Very high97.9Very high0 Ų050.5 Ų50.50%026%0.263CS..Hα-helixtrans-66.1-39.8-177.5-67.6173.6000112.5F94 V124 N127 M172 V176 I183F94-L131 HydrophobicContact CD1-CB 4.39Å; F94-L131 HydrophobicContact CE1-CB 4.44Å; V124-L131 HydrophobicContact CB-CD1 4.45Å; V124-L131 HydrophobicContact CG2-CD1 4.22Å; N127-L131 HydrophobicContact CB-CD1 3.93Å; N127-L131 HydrophobicContact CB-CG 4.18Å; N127-L131 PolarHBondContact O-N 3.4Å; L131-M172 HydrophobicContact CD2-CE 4.41Å; L131-M172 HydrophobicContact CD2-SD 3.79Å; L131-V176 HydrophobicContact CD1-CG2 4.08Å; L131-V176 HydrophobicContact CD2-CG2 4.03Å; L131-I183 HydrophobicContact CD2-CG2 3.97Å
132N98.6Very high97.6Very high34 Ų3453 Ų5318%0.18228%0.282CS..Hα-helixtrans-67.1-37.5177.7-75.1-39.8000112.3V93 F94 S95 K128 L130V93-N132 HydrophobicContact CG1-CB 4.45Å; V93-N132 WeakPolarHBondContact CG1-ND2 3.46Å; V93-N132 WeakPolarHBondContact CG1-OD1 3.39Å; F94-N132 WeakPolarHBondContact CA-OD1 3.29Å; F94-N132 WeakPolarHBondContact CB-OD1 3.43Å; F94-N132 PolarHBondContact N-OD1 3.24Å; S95-N132 PolarHBondContact N-OD1 2.96Å; S95-N132 PolarHBondContact OG-ND2 3.09Å; K128-N132 WeakPolarHBondContact O-CB 3.48Å; K128-N132 PolarHBondContact O-N 2.97Å; K128-N132 PolarHBondContact O-ND2 3.27Å; L130-N132 PolarHBondContact O-N 3.24Å
133S97.5Very high97.3Very high91 Ų9151 Ų5164%0.63627%0.27SS*.Hα-helixtrans-82.3-24.8-178.558.50000113.6D129 L130 I135D129-S133 WeakPolarHBondContact O-CB 3.39Å; D129-S133 PolarHBondContact O-N 2.78Å; D129-S133 PolarHBondContact O-OG 2.87Å; L130-S133 PolarHBondContact O-N 3.09Å; L130-S133 PolarHBondContact O-OG 2.93Å; S133-I135 PolarHBondContact O-N 2.8Å
134A98.3Very high96.8Very high22 Ų2252.8 Ų52.818%0.18228%0.28CS..Hα-helixtrans-66.1-23.3173.800000113.1L130 I136 M172 V187 Y190L130-A134 WeakPolarHBondContact O-CB 3.27Å; L130-A134 PolarHBondContact O-N 3.36Å; A134-I136 PolarHBondContact O-N 2.75Å; A134-M172 HydrophobicContact CB-CE 4.17Å; A134-V187 HydrophobicContact CB-CG1 4.38Å; A134-V187 HydrophobicContact CB-CG2 4.22Å; A134-Y190 VanDerWaalsContact O-CE1 3.32Å; A134-Y190 WeakPolarHBondContact O-CE1 3.37Å
135I98.7Very high96.4Very high12 Ų1252.8 Ų52.86%0.06228%0.28CS..  trans-75.3125.6-176.6-69.1168.3000112.1F94 S133 Y137 Q168 M172 Y190F94-I135 HydrophobicContact CB-CD1 3.37Å; F94-I135 HydrophobicContact CD1-CD1 4.22Å; F94-I135 HydrophobicContact CD2-CD1 4.18Å; F94-I135 HydrophobicContact CG-CD1 3.69Å; S133-I135 PolarHBondContact O-N 2.8Å; I135-Y137 HydrophobicContact CB-CE2 4.37Å; I135-Y137 HydrophobicContact CG2-CD1 4.05Å; I135-Y137 HydrophobicContact CG2-CD2 4.08Å; I135-Y137 HydrophobicContact CG2-CE1 3.63Å; I135-Y137 HydrophobicContact CG2-CE2 3.66Å; I135-Y137 HydrophobicContact CG2-CG 4.23Å; I135-Q168 HydrophobicContact CG2-CB 3.56Å; I135-Q168 HydrophobicContact CG2-CG 3.99Å; I135-M172 HydrophobicContact CD1-CB 3.99Å; I135-M172 HydrophobicContact CD1-CE 4.44Å; I135-M172 HydrophobicContact CD1-CG 4.14Å; I135-M172 HydrophobicContact CG1-CB 4.31Å; I135-M172 HydrophobicContact CG1-CE 3.79Å; I135-M172 HydrophobicContact CG1-CG 4.45Å; I135-Y190 WeakPolarHBondContact CA-OH 3.42Å; I135-Y190 HydrophobicContact CG1-CE2 4.32Å
136I98.4Very high96Very high74 Ų7450.8 Ų50.838%0.37927%0.269SS..  trans-10595.8175.4-51.6-173.1000109.8A134 D138 R139 Y190A134-I136 PolarHBondContact O-N 2.75Å; I136-D138 HydrophobicContact CG2-CB 4.27Å; I136-D138 PolarHBondContact O-N 3.32Å; I136-R139 HydrophobicContact CB-CG 4.16Å; I136-R139 HydrophobicContact CG2-CG 4.12Å; I136-R139 WeakPolarHBondContact O-CB 3.24Å; I136-R139 PolarHBondContact O-N 3.19Å; I136-R139 VanDerWaalsContact O-N 3.12Å; I136-Y190 PolarHBondContact N-OH 2.97Å
137Y97.9Very high95.6Very high27 Ų2743.8 Ų43.811%0.10624%0.236CC..G310 helixtrans-63.8-20.7-178.6-70.2-70000114.5K92 I135 R139 D140 Q168 H169K92-Y137 HydrophobicContact CG-CD2 4.34Å; K92-Y137 HydrophobicContact CG-CE2 4.02Å; K92-Y137 PolarHBondContact O-OH 3.27Å; I135-Y137 HydrophobicContact CB-CE2 4.37Å; I135-Y137 HydrophobicContact CG2-CD1 4.05Å; I135-Y137 HydrophobicContact CG2-CD2 4.08Å; I135-Y137 HydrophobicContact CG2-CE1 3.63Å; I135-Y137 HydrophobicContact CG2-CE2 3.66Å; I135-Y137 HydrophobicContact CG2-CG 4.23Å; Y137-R139 PolarHBondContact O-N 2.87Å; Y137-D140 WeakPolarHBondContact O-CB 3.42Å; Y137-D140 PolarHBondContact O-N 3.14Å; Y137-D140 VanDerWaalsContact O-N 3.09Å; Y137-Q168 HydrophobicContact CD1-CB 4.27Å; Y137-Q168 HydrophobicContact CD1-CG 4.19Å; Y137-Q168 HydrophobicContact CE1-CB 4.18Å; Y137-H169 AromaticContact CE1-CD2 3.91Å; Y137-H169 AromaticContact CE1-NE2 3.42Å; Y137-H169 WeakPolarHBondContact CE1-NE2 3.43Å; Y137-H169 AromaticContact CZ-NE2 3.55Å; Y137-H169 PolarHBondContact OH-CD2 3.45Å; Y137-H169 PolarHBondContact OH-NE2 3.16Å
138D96.5Very high95.4Very high121 Ų12141.3 Ų41.365%0.64722%0.223SC*.G310 helixtrans-64.8-23.2176.6-68.7-18.1000112.1I136 D140 F141I136-D138 HydrophobicContact CG2-CB 4.27Å; I136-D138 PolarHBondContact O-N 3.32Å; D138-D140 PolarHBondContact O-N 3.39Å; D138-F141 WeakPolarHBondContact O-CB 3.14Å; D138-F141 PolarHBondContact O-N 3.08Å; D138-F141 VanDerWaalsContact O-N 3.09Å
139R97.2Very high95.1Very high34 Ų3438.7 Ų38.713%0.12821%0.212CC..G310 helixtrans-65.3-19.7174.7-66.1-178.7176.3150.7-1.6112.7I136 Y137 F141 S142 N191 S194 E195I136-R139 HydrophobicContact CB-CG 4.16Å; I136-R139 HydrophobicContact CG2-CG 4.12Å; I136-R139 WeakPolarHBondContact O-CB 3.24Å; I136-R139 PolarHBondContact O-N 3.19Å; I136-R139 VanDerWaalsContact O-N 3.12Å; Y137-R139 PolarHBondContact O-N 2.87Å; R139-F141 PolarHBondContact O-N 3.31Å; R139-S142 WeakPolarHBondContact O-CB 3.15Å; R139-S142 PolarHBondContact O-N 2.87Å; R139-S142 PolarHBondContact O-OG 3.41Å; R139-N191 PolarHBondContact NH1-OD1 2.67Å; R139-N191 PolarHBondContact NH2-OD1 2.99Å; R139-S194 WeakPolarHBondContact CD-OG 3.27Å; R139-S194 PolarHBondContact NH1-OG 3.43Å; R139-E195 IonicContact CZ-OE1 2.72Å; R139-E195 IonicContact NE-OE1 2.84Å; R139-E195 IonicContact NH2-OE1 3.8Å; R139-E195 PolarHBondContact NH2-OE1 3.37Å
140D97.2Very high94.8Very high0 Ų033.8 Ų33.80%019%0.187CC..G310 helixtrans-63.6-26172.5-72-21.7000112.3V83 H87 Y137 D138 S142 Y143 P167 Q168V83-D140 HydrophobicContact CG1-CB 3.55Å; V83-D140 WeakPolarHBondContact CG2-O 3.34Å; H87-D140 IonicContact CD2-OD2 3.96Å; H87-D140 IonicContact CE1-OD2 2.97Å; H87-D140 IonicContact NE2-OD2 3Å; H87-D140 PolarHBondContact NE2-OD2 2.86Å; Y137-D140 WeakPolarHBondContact O-CB 3.42Å; Y137-D140 PolarHBondContact O-N 3.14Å; Y137-D140 VanDerWaalsContact O-N 3.09Å; D138-D140 PolarHBondContact O-N 3.39Å; D140-S142 PolarHBondContact O-N 3.15Å; D140-Y143 WeakPolarHBondContact O-CD2 3.45Å; D140-P167 WeakPolarHBondContact OD1-CB 3.43Å; D140-P167 WeakPolarHBondContact OD1-CD 3.48Å; D140-P167 WeakPolarHBondContact OD1-CG 3.32Å; D140-Q168 VanDerWaalsContact OD1-CG 3.26Å; D140-Q168 WeakPolarHBondContact OD1-CG 3.29Å; D140-Q168 PolarHBondContact OD1-N 2.96Å; D140-Q168 PolarHBondContact OD1-NE2 2.96Å
141F94.8Very high94.6Very high26 Ų2629.7 Ų29.711%0.11417%0.165CC..G310 helixtrans-81.60.5179.3-62.4-73.6000113.7Y27 R80 V83 H87 D138 R139Y27-F141 VanDerWaalsContact OH-CB 3.27Å; Y27-F141 WeakPolarHBondContact OH-CB 3.25Å; R80-F141 HydrophobicContact CB-CD1 3.92Å; R80-F141 HydrophobicContact CG-CB 4.12Å; R80-F141 HydrophobicContact CG-CD1 3.86Å; R80-F141 HydrophobicContact CG-CG 4.44Å; V83-F141 HydrophobicContact CB-CD1 4.02Å; V83-F141 HydrophobicContact CB-CE1 3.96Å; V83-F141 HydrophobicContact CG1-CD1 3.72Å; V83-F141 HydrophobicContact CG1-CE1 3.55Å; V83-F141 HydrophobicContact CG1-CE2 4.47Å; V83-F141 HydrophobicContact CG1-CG 4.27Å; V83-F141 HydrophobicContact CG1-CZ 3.95Å; H87-F141 AromaticContact CE1-CE2 3.87Å; H87-F141 AromaticContact CE1-CZ 3.94Å; H87-F141 AromaticContact ND1-CZ 3.95Å; D138-F141 WeakPolarHBondContact O-CB 3.14Å; D138-F141 PolarHBondContact O-N 3.08Å; D138-F141 VanDerWaalsContact O-N 3.09Å; R139-F141 PolarHBondContact O-N 3.31Å
142S91.7Very high94.4Very high59 Ų5932 Ų3241%0.41318%0.176SC..G310 helixtrans-83.3-16.8177.471.90000113.2R139 D140 K196R139-S142 WeakPolarHBondContact O-CB 3.15Å; R139-S142 PolarHBondContact O-N 2.87Å; R139-S142 PolarHBondContact O-OG 3.41Å; D140-S142 PolarHBondContact O-N 3.15Å; S142-K196 PolarHBondContact O-NZ 3.15Å; S142-K196 WeakPolarHBondContact OG-CE 3.31Å; S142-K196 PolarHBondContact OG-NZ 3.11Å
143Y92.4Very high93.9Very high4 Ų438 Ų382%0.01620%0.196CC..SBendtrans-73147.9177.9-64.1-74.9000111.3A79 D140 L151 P167 I610A79-Y143 WeakPolarHBondContact CB-O 3.46Å; D140-Y143 WeakPolarHBondContact O-CD2 3.45Å; Y143-L151 HydrophobicContact CD1-CD1 4.21Å; Y143-L151 HydrophobicContact CD2-CD1 4.48Å; Y143-L151 HydrophobicContact CE1-CD1 3.89Å; Y143-L151 HydrophobicContact CE2-CD1 4.2Å; Y143-L151 HydrophobicContact CG-CD1 4.5Å; Y143-P167 HydrophobicContact CE2-CB 3.71Å; Y143-P167 HydrophobicContact CE2-CG 4.2Å; Y143-I610 HydrophobicContact CD1-CG2 4.45Å; Y143-I610 WeakPolarHBondContact CD1-O 3.26Å; Y143-I610 HydrophobicContact CE1-CG2 3.97Å
144N89.1Confident93.4Very high44 Ų4436 Ų3624%0.23518%0.182CC..  trans-81.6168.4164.272.536.1000110.2A79 F146 G147 F148 G612A79-N144 VanDerWaalsContact CB-C 3.41Å; N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 PolarHBondContact O-N 3.38Å; N144-F146 PolarHBondContact OD1-N 2.97Å; N144-G147 PolarHBondContact O-N 2.71Å; N144-G147 PolarHBondContact OD1-N 2.84Å; N144-F148 WeakPolarHBondContact O-CB 3.36Å; N144-F148 PolarHBondContact O-N 3.39Å; N144-G612 WeakPolarHBondContact ND2-CA 3.4Å
145F90.3Very high93.2Very high1 Ų135.3 Ų35.30%0.00418%0.175CC..Hα-helixtrans-59.1-44.1-173.5178.2-103.7000112.6A61 E62 A65 A75 A78 A79 F148 K149A61-F145 HydrophobicContact CB-CE2 4.02Å; E62-F145 HydrophobicContact CG-CZ 4.21Å; A65-F145 HydrophobicContact CB-CD1 3.68Å; A65-F145 HydrophobicContact CB-CD2 4.47Å; A65-F145 HydrophobicContact CB-CE1 3.84Å; A65-F145 HydrophobicContact CB-CG 4.02Å; A65-F145 HydrophobicContact CB-CZ 4.3Å; A75-F145 PolarHBondContact O-N 2.84Å; A78-F145 HydrophobicContact CB-CB 3.92Å; A78-F145 HydrophobicContact CB-CD2 3.87Å; A78-F145 HydrophobicContact CB-CG 4.05Å; A79-F145 HydrophobicContact CB-CB 4.4Å; F145-F148 PolarHBondContact O-N 2.94Å; F145-K149 HydrophobicContact CD1-CG 4.37Å; F145-K149 HydrophobicContact CD2-CG 4.42Å; F145-K149 HydrophobicContact CE1-CG 4.03Å; F145-K149 HydrophobicContact CE2-CD 4.46Å; F145-K149 HydrophobicContact CE2-CG 4.09Å; F145-K149 HydrophobicContact CZ-CD 4.37Å; F145-K149 HydrophobicContact CZ-CG 3.89Å; F145-K149 WeakPolarHBondContact O-CB 2.91Å; F145-K149 VanDerWaalsContact O-CG 3.31Å; F145-K149 WeakPolarHBondContact O-CG 3.45Å; F145-K149 PolarHBondContact O-N 3.31Å
146F88.5Confident93.1Very high13 Ų1335 Ų356%0.05717%0.173CC..Hα-helixtrans-71.3-38.7-176.6-57.2-73.2000112.5N144 K149 T150 R627 V629 F634 I636N144-F146 VanDerWaalsContact C-N 3.34Å; N144-F146 PolarHBondContact O-N 3.38Å; N144-F146 PolarHBondContact OD1-N 2.97Å; F146-K149 PolarHBondContact O-N 2.74Å; F146-T150 PolarHBondContact O-N 3.43Å; F146-T150 PolarHBondContact O-OG1 2.98Å; F146-T150 VanDerWaalsContact O-OG1 3.1Å; F146-R627 HydrophobicContact CD1-CB 4.08Å; F146-R627 HydrophobicContact CE1-CB 4.04Å; F146-V629 HydrophobicContact CD1-CG1 3.89Å; F146-V629 HydrophobicContact CE1-CG1 4.23Å; F146-F634 HydrophobicContact CE1-CB 3.78Å; F146-F634 HydrophobicContact CE1-CD2 4.24Å; F146-F634 AromaticContact CE1-CG 3.97Å; F146-F634 HydrophobicContact CE1-CG 3.97Å; F146-F634 HydrophobicContact CZ-CB 3.67Å; F146-F634 HydrophobicContact CZ-CD1 4.45Å; F146-F634 HydrophobicContact CZ-CG 4.06Å; F146-I636 HydrophobicContact CD1-CD1 4.43Å; F146-I636 HydrophobicContact CD2-CD1 3.59Å; F146-I636 HydrophobicContact CE1-CD1 4.1Å; F146-I636 HydrophobicContact CE2-CD1 3.19Å; F146-I636 HydrophobicContact CE2-CG1 3.83Å; F146-I636 HydrophobicContact CG-CD1 4.21Å; F146-I636 HydrophobicContact CZ-CD1 3.48Å; F146-I636 VanDerWaalsContact CZ-CD1 3.48Å; F146-I636 HydrophobicContact CZ-CG1 3.92Å
147G91.6Very high93Very high0 Ų033.1 Ų33.10%016%0.164CC..Hα-helixtrans-64.3-44174.400000111.6N144 T150 L151 Q609N144-G147 PolarHBondContact O-N 2.71Å; N144-G147 PolarHBondContact OD1-N 2.84Å; G147-T150 WeakPolarHBondContact O-CB 3.45Å; G147-T150 PolarHBondContact O-N 2.92Å; G147-L151 PolarHBondContact O-N 2.69Å; G147-L151 VanDerWaalsContact O-N 3.07Å; G147-Q609 WeakPolarHBondContact CA-O 3.23Å
148F94.3Very high92.9Very high0 Ų035.3 Ų35.30%017%0.174CC..Hα-helixtrans-61.5-44.7174176.8-100.7000112.2A82 V83 L86 N144 F145 T150 L151 E152 P167A82-F148 HydrophobicContact CB-CD1 3.77Å; A82-F148 HydrophobicContact CB-CE1 3.64Å; V83-F148 HydrophobicContact CG2-CD2 3.59Å; V83-F148 HydrophobicContact CG2-CE2 3.71Å; V83-F148 HydrophobicContact CG2-CG 4.08Å; V83-F148 HydrophobicContact CG2-CZ 4.3Å; L86-F148 HydrophobicContact CB-CZ 3.98Å; L86-F148 HydrophobicContact CD2-CE2 3.62Å; L86-F148 HydrophobicContact CD2-CZ 3.7Å; L86-F148 HydrophobicContact CG-CZ 4.38Å; N144-F148 WeakPolarHBondContact O-CB 3.36Å; N144-F148 PolarHBondContact O-N 3.39Å; F145-F148 PolarHBondContact O-N 2.94Å; F148-T150 VanDerWaalsContact C-N 3.3Å; F148-T150 PolarHBondContact O-N 3.28Å; F148-L151 WeakPolarHBondContact O-CB 3.49Å; F148-L151 PolarHBondContact O-N 2.94Å; F148-L151 VanDerWaalsContact O-N 3.14Å; F148-E152 HydrophobicContact CE1-CB 4.43Å; F148-E152 WeakPolarHBondContact O-CB 3.29Å; F148-E152 PolarHBondContact O-N 3.18Å; F148-P167 HydrophobicContact CD2-CG 4.47Å; F148-P167 HydrophobicContact CE2-CG 4.36Å
149K91.1Very high92.9Very high40 Ų4031.4 Ų31.417%0.17415%0.152CC..Hα-helixtrans-64.2-33.3177.3-72.6-62.1179.3-177.10113F145 F146 E152 R153F145-K149 HydrophobicContact CD1-CG 4.37Å; F145-K149 HydrophobicContact CD2-CG 4.42Å; F145-K149 HydrophobicContact CE1-CG 4.03Å; F145-K149 HydrophobicContact CE2-CD 4.46Å; F145-K149 HydrophobicContact CE2-CG 4.09Å; F145-K149 HydrophobicContact CZ-CD 4.37Å; F145-K149 HydrophobicContact CZ-CG 3.89Å; F145-K149 WeakPolarHBondContact O-CB 2.91Å; F145-K149 VanDerWaalsContact O-CG 3.31Å; F145-K149 WeakPolarHBondContact O-CG 3.45Å; F145-K149 PolarHBondContact O-N 3.31Å; F146-K149 PolarHBondContact O-N 2.74Å; K149-E152 WeakPolarHBondContact CD-OE2 3.42Å; K149-E152 WeakPolarHBondContact CE-OE2 3.37Å; K149-E152 IonicContact NZ-OE1 3.41Å; K149-E152 IonicContact NZ-OE2 3.17Å; K149-E152 PolarHBondContact NZ-OE2 3Å; K149-R153 VanDerWaalsContact O-CB 3.28Å; K149-R153 WeakPolarHBondContact O-CB 3.41Å; K149-R153 PolarHBondContact O-N 3.42Å
150T91.1Very high92.8Very high20 Ų2034.8 Ų34.812%0.12317%0.173CC..Hα-helixtrans-63.2-45.9171.1-65.10000111.5F146 G147 F148 R153 S154 Y155 Q609 I610F146-T150 PolarHBondContact O-N 3.43Å; F146-T150 PolarHBondContact O-OG1 2.98Å; F146-T150 VanDerWaalsContact O-OG1 3.1Å; G147-T150 WeakPolarHBondContact O-CB 3.45Å; G147-T150 PolarHBondContact O-N 2.92Å; F148-T150 VanDerWaalsContact C-N 3.3Å; F148-T150 PolarHBondContact O-N 3.28Å; T150-R153 PolarHBondContact O-N 3.1Å; T150-S154 PolarHBondContact O-N 3.44Å; T150-Y155 HydrophobicContact CG2-CD2 4.37Å; T150-Y155 HydrophobicContact CG2-CE2 3.89Å; T150-Y155 WeakPolarHBondContact O-CD2 3.37Å; T150-Q609 PolarHBondContact OG1-NE2 3.49Å; T150-I610 HydrophobicContact CG2-CD1 4.12Å; T150-I610 HydrophobicContact CG2-CG1 3.71Å
151L93.9Very high92.5Very high1 Ų137.9 Ų37.91%0.00521%0.205CC..Iπ-helixtrans-59.5-51.6175.2-72.3174.6000111.7Y143 G147 F148 R153 S154 Y155 L156 P167 M170 I610Y143-L151 HydrophobicContact CD1-CD1 4.21Å; Y143-L151 HydrophobicContact CD2-CD1 4.48Å; Y143-L151 HydrophobicContact CE1-CD1 3.89Å; Y143-L151 HydrophobicContact CE2-CD1 4.2Å; Y143-L151 HydrophobicContact CG-CD1 4.5Å; G147-L151 PolarHBondContact O-N 2.69Å; G147-L151 VanDerWaalsContact O-N 3.07Å; F148-L151 WeakPolarHBondContact O-CB 3.49Å; F148-L151 PolarHBondContact O-N 2.94Å; F148-L151 VanDerWaalsContact O-N 3.14Å; L151-R153 VanDerWaalsContact C-N 3.28Å; L151-R153 PolarHBondContact O-N 3.24Å; L151-S154 PolarHBondContact O-N 3.01Å; L151-Y155 HydrophobicContact CD2-CD2 4.32Å; L151-Y155 HydrophobicContact CD2-CG 4.02Å; L151-Y155 PolarHBondContact O-N 3.16Å; L151-L156 HydrophobicContact CB-CD1 4.49Å; L151-L156 HydrophobicContact CB-CG 4.29Å; L151-L156 PolarHBondContact O-N 3.46Å; L151-L156 VanDerWaalsContact O-N 3.08Å; L151-P167 HydrophobicContact CD1-CB 4.15Å; L151-P167 HydrophobicContact CD1-CG 4.34Å; L151-M170 HydrophobicContact CD2-CE 3.92Å; L151-I610 HydrophobicContact CD1-CG2 3.97Å; L151-I610 HydrophobicContact CD2-CD1 3.78Å; L151-I610 HydrophobicContact CD2-CG1 4.06Å; L151-I610 HydrophobicContact CD2-CG2 3.84Å; L151-I610 HydrophobicContact CG-CD1 4.39Å; L151-I610 HydrophobicContact CG-CG1 4.13Å; L151-I610 HydrophobicContact CG-CG2 3.86Å
152E92.4Very high92.5Very high50 Ų5042 Ų4223%0.23422%0.223CC..Iπ-helixtrans-58.9-37.7-179.1-176.2-177.7-125.500112.6F148 K149 K158 V163F148-E152 HydrophobicContact CE1-CB 4.43Å; F148-E152 WeakPolarHBondContact O-CB 3.29Å; F148-E152 PolarHBondContact O-N 3.18Å; K149-E152 WeakPolarHBondContact CD-OE2 3.42Å; K149-E152 WeakPolarHBondContact CE-OE2 3.37Å; K149-E152 IonicContact NZ-OE1 3.41Å; K149-E152 IonicContact NZ-OE2 3.17Å; K149-E152 PolarHBondContact NZ-OE2 3Å; E152-K158 WeakPolarHBondContact O-CE 3.31Å; E152-K158 PolarHBondContact O-NZ 3.09Å; E152-V163 HydrophobicContact CG-CG2 4.13Å
153R88.6Confident92.7Very high160 Ų16040 Ų4060%0.60421%0.209SC*.Iπ-helixtrans-67.5-49.1-179-174.5176.4176.6179.9-1.7111.7K149 T150 L151 K158K149-R153 VanDerWaalsContact O-CB 3.28Å; K149-R153 WeakPolarHBondContact O-CB 3.41Å; K149-R153 PolarHBondContact O-N 3.42Å; T150-R153 PolarHBondContact O-N 3.1Å; L151-R153 VanDerWaalsContact C-N 3.28Å; L151-R153 PolarHBondContact O-N 3.24Å; R153-K158 PolarHBondContact O-NZ 3.31Å
154S88.1Confident93Very high49 Ų4940.5 Ų40.534%0.34321%0.213SC..Iπ-helixtrans-125.7-27.1-162.2-58.30000116T150 L151 F206T150-S154 PolarHBondContact O-N 3.44Å; L151-S154 PolarHBondContact O-N 3.01Å; S154-F206 WeakPolarHBondContact O-CE1 3.24Å
155Y93.7Very high93.4Very high7 Ų738.4 Ų38.43%0.02720%0.202CC..Iπ-helixtrans-102.1-34.6-166.8-67.8-98.1000114.2T150 L151 S202 L205 F206 S606 I610T150-Y155 HydrophobicContact CG2-CD2 4.37Å; T150-Y155 HydrophobicContact CG2-CE2 3.89Å; T150-Y155 WeakPolarHBondContact O-CD2 3.37Å; L151-Y155 HydrophobicContact CD2-CD2 4.32Å; L151-Y155 HydrophobicContact CD2-CG 4.02Å; L151-Y155 PolarHBondContact O-N 3.16Å; Y155-S202 WeakPolarHBondContact OH-CB 3.45Å; Y155-S202 PolarHBondContact OH-OG 3.35Å; Y155-L205 HydrophobicContact CD1-CB 3.77Å; Y155-L205 HydrophobicContact CD1-CD1 4.06Å; Y155-L205 HydrophobicContact CE1-CB 4.02Å; Y155-L205 HydrophobicContact CE1-CD1 3.86Å; Y155-F206 AromaticContact CD1-CD1 3.75Å; Y155-F206 HydrophobicContact CD1-CD1 3.75Å; Y155-F206 AromaticContact CD1-CE1 3.31Å; Y155-F206 HydrophobicContact CD1-CE1 3.31Å; Y155-F206 AromaticContact CD1-CZ 3.95Å; Y155-F206 HydrophobicContact CD1-CZ 3.95Å; Y155-F206 AromaticContact CD2-CE1 3.91Å; Y155-F206 HydrophobicContact CD2-CE1 3.91Å; Y155-F206 HydrophobicContact CD2-CZ 4.38Å; Y155-F206 HydrophobicContact CE1-CD1 4.11Å; Y155-F206 AromaticContact CE1-CE1 3.45Å; Y155-F206 HydrophobicContact CE1-CE1 3.45Å; Y155-F206 VanDerWaalsContact CE1-CE1 3.45Å; Y155-F206 HydrophobicContact CE1-CE2 4.29Å; Y155-F206 AromaticContact CE1-CZ 3.56Å; Y155-F206 HydrophobicContact CE1-CZ 3.56Å; Y155-F206 HydrophobicContact CE2-CE1 4.01Å; Y155-F206 HydrophobicContact CE2-CZ 4.01Å; Y155-F206 HydrophobicContact CG-CD1 4.21Å; Y155-F206 AromaticContact CG-CE1 3.56Å; Y155-F206 HydrophobicContact CG-CE1 3.56Å; Y155-F206 HydrophobicContact CG-CZ 4.34Å; Y155-F206 AromaticContact CZ-CE1 3.8Å; Y155-F206 AromaticContact CZ-CZ 3.59Å; Y155-S606 VanDerWaalsContact OH-CB 3.3Å; Y155-S606 WeakPolarHBondContact OH-CB 3.43Å; Y155-I610 HydrophobicContact CD1-CD1 4.39Å; Y155-I610 HydrophobicContact CD2-CD1 4.01Å; Y155-I610 HydrophobicContact CE1-CD1 4.08Å; Y155-I610 HydrophobicContact CE2-CD1 3.69Å; Y155-I610 HydrophobicContact CG-CD1 4.36Å
156L96.9Very high93.8Very high5 Ų539 Ų393%0.02620%0.204CC..SBendtrans-78124.7179.2-54.2-179.9000109.6L86 L151 V163 E165 M170L86-L156 HydrophobicContact CD2-CD1 4.11Å; L151-L156 HydrophobicContact CB-CD1 4.49Å; L151-L156 HydrophobicContact CB-CG 4.29Å; L151-L156 PolarHBondContact O-N 3.46Å; L151-L156 VanDerWaalsContact O-N 3.08Å; L156-V163 HydrophobicContact CB-CG1 3.73Å; L156-V163 HydrophobicContact CD1-CG1 3.91Å; L156-V163 HydrophobicContact CG-CG1 4.46Å; L156-E165 HydrophobicContact CB-CB 4.33Å; L156-E165 WeakPolarHBondContact CD1-O 3.34Å; L156-E165 HydrophobicContact CD2-CB 4.43Å; L156-M170 HydrophobicContact CD2-CB 3.98Å
157L96.6Very high94.3Very high35 Ų3538.4 Ų38.418%0.18320%0.202CC..  trans-62.6143.2179.1-68.7172.1000111.3L101 M115 I116 A164 E165L101-L157 HydrophobicContact CD1-CB 4.37Å; L101-L157 HydrophobicContact CD1-CD1 3.87Å; L101-L157 HydrophobicContact CD2-CB 3.8Å; L101-L157 HydrophobicContact CD2-CD1 4.27Å; M115-L157 HydrophobicContact CB-CD1 4.46Å; I116-L157 HydrophobicContact CG2-CD1 4.44Å; L157-A164 PolarHBondContact O-N 2.79Å; L157-E165 HydrophobicContact CB-CG 4.02Å; L157-E165 WeakPolarHBondContact CB-OE2 3.27Å; L157-E165 VanDerWaalsContact CG-OE2 3.29Å; L157-E165 WeakPolarHBondContact CG-OE2 3.49Å; L157-E165 PolarHBondContact N-OE2 3.32Å; L157-E165 PolarHBondContact O-N 3.48Å
158K95.8Very high94.6Very high72 Ų7238.4 Ų38.431%0.31320%0.202SC..EExtended strand (participates in β ladder)trans-122.9130.9-172.1-62.7178179.7172.30111M115 E152 R153 K162 V163M115-K158 WeakPolarHBondContact CE-O 3.24Å; E152-K158 WeakPolarHBondContact O-CE 3.31Å; E152-K158 PolarHBondContact O-NZ 3.09Å; R153-K158 PolarHBondContact O-NZ 3.31Å; K158-K162 CarbonylContact C-O 3.6Å; K158-K162 WeakPolarHBondContact CA-O 3.36Å; K158-K162 WeakPolarHBondContact CB-O 3.49Å; K158-V163 HydrophobicContact CD-CG2 4.43Å; K158-V163 HydrophobicContact CG-CG2 4.15Å
159I96.3Very high94.8Very high39 Ų3938.4 Ų38.420%0.220%0.202CC..EExtended strand (participates in β ladder)trans-99.6121170.1-66.4174.6000108D100 L101 Y104 M115 G161 K162 A164D100-I159 HydrophobicContact CB-CD1 3.82Å; L101-I159 HydrophobicContact CD2-CD1 4.21Å; L101-I159 HydrophobicContact CD2-CG1 4.1Å; Y104-I159 HydrophobicContact CD2-CG1 4.5Å; Y104-I159 HydrophobicContact CD2-CG2 3.98Å; Y104-I159 HydrophobicContact CE2-CG2 4.13Å; M115-I159 HydrophobicContact CE-CG1 4.41Å; I159-G161 PolarHBondContact O-N 3.48Å; I159-G161 VanDerWaalsContact O-N 3.16Å; I159-K162 PolarHBondContact N-O 3.28Å; I159-K162 PolarHBondContact O-N 2.93Å; I159-A164 HydrophobicContact CD1-CB 3.9Å; I159-A164 HydrophobicContact CG1-CB 3.95Å
160N93.8Very high95.2Very high106 Ų10636.6 Ų36.657%0.56719%0.194SC*.THydrogen-bonded Turntrans51.937.4-178.6-59-39.6000113.6P107 K162P107-N160 WeakPolarHBondContact CD-OD1 3.3Å; P107-N160 WeakPolarHBondContact CG-OD1 3.48Å; N160-K162 PolarHBondContact O-N 2.86Å
161G91.4Very high95.6Very high65 Ų6536 Ų3667%0.6719%0.19SC*.THydrogen-bonded Turntrans80.9-9.2-178.100000115.2I159I159-G161 PolarHBondContact O-N 3.48Å; I159-G161 VanDerWaalsContact O-N 3.16Å
162K94.5Very high95.8Very high111 Ų11135.9 Ų35.948%0.48319%0.189SC..EExtended strand (participates in β ladder)trans-92.6135.8174.9-171.5175.1-177.2174.80110.6E89 K158 I159 N160 A164E89-K162 WeakPolarHBondContact OE2-CE 3.45Å; E89-K162 IonicContact OE2-NZ 2.77Å; E89-K162 PolarHBondContact OE2-NZ 3.16Å; K158-K162 CarbonylContact C-O 3.6Å; K158-K162 WeakPolarHBondContact CA-O 3.36Å; K158-K162 WeakPolarHBondContact CB-O 3.49Å; I159-K162 PolarHBondContact N-O 3.28Å; I159-K162 PolarHBondContact O-N 2.93Å; N160-K162 PolarHBondContact O-N 2.86Å; K162-A164 PolarHBondContact O-N 3.21Å
163V96.7Very high96.1Very high19 Ų1933.5 Ų33.512%0.11518%0.178CC..EExtended strand (participates in β ladder)trans-61.8127176.9-179.70000110.2L86 E152 L156 K158 E165L86-V163 HydrophobicContact CD1-CB 3.98Å; L86-V163 HydrophobicContact CD1-CG1 3.69Å; E152-V163 HydrophobicContact CG-CG2 4.13Å; L156-V163 HydrophobicContact CB-CG1 3.73Å; L156-V163 HydrophobicContact CD1-CG1 3.91Å; L156-V163 HydrophobicContact CG-CG1 4.46Å; K158-V163 HydrophobicContact CD-CG2 4.43Å; K158-V163 HydrophobicContact CG-CG2 4.15Å; V163-E165 WeakPolarHBondContact CG1-O 3.32Å
164A97.9Very high96.6Very high14 Ų1425.9 Ų25.912%0.11615%0.149CC..  trans-102.6-39.5176.700000111.6V97 L101 L157 I159 K162V97-A164 HydrophobicContact CG1-CB 4.47Å; L101-A164 HydrophobicContact CD2-CB 4.17Å; L157-A164 PolarHBondContact O-N 2.79Å; I159-A164 HydrophobicContact CD1-CB 3.9Å; I159-A164 HydrophobicContact CG1-CB 3.95Å; K162-A164 PolarHBondContact O-N 3.21Å
165E98.4Very high97.1Very high0 Ų023.6 Ų23.60%013%0.133CC..  trans-83.7137.4179.7-67.4-172.8126.400112.6V97 L101 L156 L157 V163 H169 R173V97-E165 HydrophobicContact CG1-CG 4.24Å; L101-E165 HydrophobicContact CD1-CG 3.91Å; L156-E165 HydrophobicContact CB-CB 4.33Å; L156-E165 WeakPolarHBondContact CD1-O 3.34Å; L156-E165 HydrophobicContact CD2-CB 4.43Å; L157-E165 HydrophobicContact CB-CG 4.02Å; L157-E165 WeakPolarHBondContact CB-OE2 3.27Å; L157-E165 VanDerWaalsContact CG-OE2 3.29Å; L157-E165 WeakPolarHBondContact CG-OE2 3.49Å; L157-E165 PolarHBondContact N-OE2 3.32Å; L157-E165 PolarHBondContact O-N 3.48Å; V163-E165 WeakPolarHBondContact CG1-O 3.32Å; E165-H169 HydrophobicContact CB-CB 4.16Å; E165-H169 HydrophobicContact CG-CB 4.33Å; E165-R173 IonicContact OE1-CZ 3.1Å; E165-R173 IonicContact OE1-NE 2.71Å; E165-R173 PolarHBondContact OE1-NE 3.35Å; E165-R173 IonicContact OE1-NH2 2.87Å; E165-R173 PolarHBondContact OE1-NH2 2.92Å; E165-R173 IonicContact OE2-CZ 2.87Å; E165-R173 IonicContact OE2-NE 3.11Å; E165-R173 IonicContact OE2-NH2 2.83Å; E165-R173 PolarHBondContact OE2-NH2 2.66Å
166R98.5Very high97.4Very high14 Ų1423.3 Ų23.35%0.05313%0.132CC..  trans-78.3160.9156.5-62.8-179.9-178-162.60.6110.1H87 T90 K91 Q168 H169 M170H87-R166 PolarHBondContact O-NH2 2.84Å; T90-R166 PolarHBondContact O-NH2 3.3Å; T90-R166 WeakPolarHBondContact OG1-CG 3.42Å; T90-R166 PolarHBondContact OG1-NE 3.46Å; K91-R166 PolarHBondContact O-NE 3.48Å; R166-Q168 VanDerWaalsContact C-N 3.25Å; R166-Q168 PolarHBondContact O-N 3.21Å; R166-H169 WeakPolarHBondContact CB-ND1 3.29Å; R166-H169 PolarHBondContact N-ND1 3Å; R166-H169 WeakPolarHBondContact O-CB 3.33Å; R166-H169 PolarHBondContact O-N 3.27Å; R166-M170 PolarHBondContact O-N 3.19Å; R166-M170 VanDerWaalsContact O-N 3.11Å
167P98.6Very high97.4Very high0 Ų023.4 Ų23.40%014%0.135CC..Hα-helixtrans-52.9-43.4173.2-21.428.6000112.4D140 Y143 F148 L151 H169 M170 L171D140-P167 WeakPolarHBondContact OD1-CB 3.43Å; D140-P167 WeakPolarHBondContact OD1-CD 3.48Å; D140-P167 WeakPolarHBondContact OD1-CG 3.32Å; Y143-P167 HydrophobicContact CE2-CB 3.71Å; Y143-P167 HydrophobicContact CE2-CG 4.2Å; F148-P167 HydrophobicContact CD2-CG 4.47Å; F148-P167 HydrophobicContact CE2-CG 4.36Å; L151-P167 HydrophobicContact CD1-CB 4.15Å; L151-P167 HydrophobicContact CD1-CG 4.34Å; P167-H169 VanDerWaalsContact C-N 3.31Å; P167-H169 PolarHBondContact O-N 3.44Å; P167-M170 PolarHBondContact O-N 2.82Å; P167-L171 WeakPolarHBondContact O-CG 3.27Å; P167-L171 PolarHBondContact O-N 3.15Å
168Q98.7Very high97.5Very high0 Ų021.9 Ų21.90%013%0.126CC..Hα-helixtrans-59.8-36.6174.8-60.3-39.7-64.600114.1I135 Y137 D140 R166 L171 M172 Y190I135-Q168 HydrophobicContact CG2-CB 3.56Å; I135-Q168 HydrophobicContact CG2-CG 3.99Å; Y137-Q168 HydrophobicContact CD1-CB 4.27Å; Y137-Q168 HydrophobicContact CD1-CG 4.19Å; Y137-Q168 HydrophobicContact CE1-CB 4.18Å; D140-Q168 VanDerWaalsContact OD1-CG 3.26Å; D140-Q168 WeakPolarHBondContact OD1-CG 3.29Å; D140-Q168 PolarHBondContact OD1-N 2.96Å; D140-Q168 PolarHBondContact OD1-NE2 2.96Å; R166-Q168 VanDerWaalsContact C-N 3.25Å; R166-Q168 PolarHBondContact O-N 3.21Å; Q168-L171 PolarHBondContact O-N 3Å; Q168-M172 PolarHBondContact O-N 3.28Å; Q168-Y190 HydrophobicContact CB-CE2 4.47Å; Q168-Y190 PolarHBondContact OE1-OH 3.31Å
169H98.9Very high97.7Very high0 Ų019 Ų190%011%0.114CC..Hα-helixtrans-66-43.7177.8-59.1149.7000111.2K91 K92 F94 Y137 E165 R166 P167 L171 M172 R173K91-H169 PolarHBondContact O-CE1 3.26Å; K92-H169 PolarHBondContact O-NE2 2.92Å; K92-H169 VanDerWaalsContact O-NE2 3.16Å; F94-H169 HydrophobicContact CD2-CB 4.03Å; F94-H169 AromaticContact CD2-CD2 3.93Å; F94-H169 WeakPolarHBondContact CE2-O 3.35Å; Y137-H169 AromaticContact CE1-CD2 3.91Å; Y137-H169 AromaticContact CE1-NE2 3.42Å; Y137-H169 WeakPolarHBondContact CE1-NE2 3.43Å; Y137-H169 AromaticContact CZ-NE2 3.55Å; Y137-H169 PolarHBondContact OH-CD2 3.45Å; Y137-H169 PolarHBondContact OH-NE2 3.16Å; E165-H169 HydrophobicContact CB-CB 4.16Å; E165-H169 HydrophobicContact CG-CB 4.33Å; R166-H169 WeakPolarHBondContact CB-ND1 3.29Å; R166-H169 PolarHBondContact N-ND1 3Å; R166-H169 WeakPolarHBondContact O-CB 3.33Å; R166-H169 PolarHBondContact O-N 3.27Å; P167-H169 VanDerWaalsContact C-N 3.31Å; P167-H169 PolarHBondContact O-N 3.44Å; H169-L171 VanDerWaalsContact C-N 3.34Å; H169-L171 PolarHBondContact O-N 3.42Å; H169-M172 PolarHBondContact O-N 2.98Å; H169-R173 WeakPolarHBondContact O-CB 3.33Å; H169-R173 PolarHBondContact O-N 2.92Å
170M98.8Very high97.7Very high2 Ų220.3 Ų20.31%0.0112%0.118CC..Hα-helixtrans-59.4-46.1175.2177.7-82-65.700110.9L151 L156 R166 P167 M172 R173 V174 L205L151-M170 HydrophobicContact CD2-CE 3.92Å; L156-M170 HydrophobicContact CD2-CB 3.98Å; R166-M170 PolarHBondContact O-N 3.19Å; R166-M170 VanDerWaalsContact O-N 3.11Å; P167-M170 PolarHBondContact O-N 2.82Å; M170-M172 PolarHBondContact O-N 3.35Å; M170-R173 PolarHBondContact O-N 3.26Å; M170-V174 VanDerWaalsContact O-CG2 3.27Å; M170-V174 WeakPolarHBondContact O-CG2 3.38Å; M170-V174 PolarHBondContact O-N 2.69Å; M170-V174 HydrophobicContact SD-CG2 3.87Å; M170-L205 HydrophobicContact SD-CB 4.33Å; M170-L205 HydrophobicContact SD-CD2 4.05Å
171L98.8Very high97.9Very high6 Ų622.7 Ų22.73%0.03113%0.126CC..Hα-helixtrans-64.9-40.9-179.9-65.9180000112.8P167 Q168 H169 V174 A175 Y190 L193P167-L171 WeakPolarHBondContact O-CG 3.27Å; P167-L171 PolarHBondContact O-N 3.15Å; Q168-L171 PolarHBondContact O-N 3Å; H169-L171 VanDerWaalsContact C-N 3.34Å; H169-L171 PolarHBondContact O-N 3.42Å; L171-V174 PolarHBondContact O-N 3.37Å; L171-A175 PolarHBondContact O-N 3.36Å; L171-Y190 HydrophobicContact CB-CD2 4.1Å; L171-Y190 HydrophobicContact CB-CE2 4.29Å; L171-L193 HydrophobicContact CD1-CB 4.46Å; L171-L193 HydrophobicContact CD2-CB 4.08Å; L171-L193 HydrophobicContact CD2-CD1 4.44Å
172M98.9Very high98.3Very high0 Ų022.9 Ų22.90%011%0.112CC..Hα-helixtrans-67.9-40.6175.4-173.858.978.500111.5F94 L131 A134 I135 Q168 H169 M170 V174 A175 V176 Y190F94-M172 HydrophobicContact CD1-CG 4.08Å; F94-M172 HydrophobicContact CD2-CB 4.29Å; F94-M172 HydrophobicContact CD2-CG 4.46Å; F94-M172 HydrophobicContact CE1-CB 4.41Å; F94-M172 HydrophobicContact CE1-CG 3.64Å; F94-M172 HydrophobicContact CE2-CB 3.93Å; F94-M172 HydrophobicContact CE2-CG 4.06Å; F94-M172 HydrophobicContact CG-CG 4.47Å; F94-M172 HydrophobicContact CZ-CB 4.01Å; F94-M172 HydrophobicContact CZ-CG 3.63Å; L131-M172 HydrophobicContact CD2-CE 4.41Å; L131-M172 HydrophobicContact CD2-SD 3.79Å; A134-M172 HydrophobicContact CB-CE 4.17Å; I135-M172 HydrophobicContact CD1-CB 3.99Å; I135-M172 HydrophobicContact CD1-CE 4.44Å; I135-M172 HydrophobicContact CD1-CG 4.14Å; I135-M172 HydrophobicContact CG1-CB 4.31Å; I135-M172 HydrophobicContact CG1-CE 3.79Å; I135-M172 HydrophobicContact CG1-CG 4.45Å; Q168-M172 PolarHBondContact O-N 3.28Å; H169-M172 PolarHBondContact O-N 2.98Å; M170-M172 PolarHBondContact O-N 3.35Å; M172-V174 VanDerWaalsContact C-N 3.29Å; M172-V174 PolarHBondContact O-N 3.44Å; M172-A175 PolarHBondContact O-N 2.71Å; M172-V176 HydrophobicContact CG-CG2 4.34Å; M172-V176 WeakPolarHBondContact O-CG2 3.34Å; M172-V176 PolarHBondContact O-N 2.87Å; M172-V176 HydrophobicContact SD-CG2 4.18Å; M172-Y190 HydrophobicContact CB-CD2 4.11Å; M172-Y190 HydrophobicContact CE-CD1 3.58Å; M172-Y190 HydrophobicContact CE-CD2 3.81Å; M172-Y190 HydrophobicContact CE-CE1 4.14Å; M172-Y190 HydrophobicContact CE-CE2 4.35Å; M172-Y190 HydrophobicContact CE-CG 3.4Å; M172-Y190 HydrophobicContact SD-CD2 4.42Å; M172-Y190 HydrophobicContact SD-CG 4.18Å
173R98.8Very high98.4Very high0 Ų018.3 Ų18.30%09%0.092CC..Hα-helixtrans-58-42.8172.3172.4176.953.775.2-5.2111.5F94 M98 E165 H169 M170 G177 L205 A208F94-R173 HydrophobicContact CE2-CB 4.36Å; M98-R173 HydrophobicContact SD-CB 4.25Å; M98-R173 HydrophobicContact SD-CG 4.46Å; E165-R173 IonicContact OE1-CZ 3.1Å; E165-R173 IonicContact OE1-NE 2.71Å; E165-R173 PolarHBondContact OE1-NE 3.35Å; E165-R173 IonicContact OE1-NH2 2.87Å; E165-R173 PolarHBondContact OE1-NH2 2.92Å; E165-R173 IonicContact OE2-CZ 2.87Å; E165-R173 IonicContact OE2-NE 3.11Å; E165-R173 IonicContact OE2-NH2 2.83Å; E165-R173 PolarHBondContact OE2-NH2 2.66Å; H169-R173 WeakPolarHBondContact O-CB 3.33Å; H169-R173 PolarHBondContact O-N 2.92Å; M170-R173 PolarHBondContact O-N 3.26Å; R173-G177 WeakPolarHBondContact O-CA 3.13Å; R173-G177 PolarHBondContact O-N 2.81Å; R173-L205 PolarHBondContact NH1-O 3.41Å; R173-A208 WeakPolarHBondContact CG-O 3.33Å; R173-A208 PolarHBondContact NH1-O 3.25Å
174V98.8Very high98.5Very high0 Ų023.8 Ų23.80%012%0.121CC..Hα-helixtrans-62.1-47.2176.4169.30000110.7M170 L171 M172 G177 I178 L193 T204 L205 A208M170-V174 VanDerWaalsContact O-CG2 3.27Å; M170-V174 WeakPolarHBondContact O-CG2 3.38Å; M170-V174 PolarHBondContact O-N 2.69Å; M170-V174 HydrophobicContact SD-CG2 3.87Å; L171-V174 PolarHBondContact O-N 3.37Å; M172-V174 VanDerWaalsContact C-N 3.29Å; M172-V174 PolarHBondContact O-N 3.44Å; V174-G177 PolarHBondContact O-N 3.38Å; V174-I178 HydrophobicContact CG1-CD1 3.85Å; V174-I178 WeakPolarHBondContact O-CG1 3.13Å; V174-I178 PolarHBondContact O-N 2.66Å; V174-L193 HydrophobicContact CG1-CD1 4.22Å; V174-T204 HydrophobicContact CG1-CG2 4.21Å; V174-L205 HydrophobicContact CG1-CD2 4.48Å; V174-L205 HydrophobicContact CG2-CD2 4.15Å; V174-A208 HydrophobicContact CB-CB 4.27Å; V174-A208 HydrophobicContact CG1-CB 4.25Å; V174-A208 HydrophobicContact CG2-CB 4.15Å
175A98.8Very high98.6Very high0 Ų023.9 Ų23.90%012%0.122CC..Hα-helixtrans-62.3-50.5179.600000112.2L171 M172 G177 I178 H179 A186 T189L171-A175 PolarHBondContact O-N 3.36Å; M172-A175 PolarHBondContact O-N 2.71Å; A175-G177 VanDerWaalsContact C-N 3.28Å; A175-G177 PolarHBondContact O-N 3.38Å; A175-I178 PolarHBondContact O-N 3.42Å; A175-I178 VanDerWaalsContact O-N 3.15Å; A175-H179 WeakPolarHBondContact O-CB 3.38Å; A175-H179 PolarHBondContact O-CD2 2.89Å; A175-H179 PolarHBondContact O-N 3.18Å; A175-A186 HydrophobicContact CB-CB 4.37Å; A175-A186 VanDerWaalsContact CB-O 3.24Å; A175-A186 WeakPolarHBondContact CB-O 3.46Å; A175-T189 HydrophobicContact CB-CG2 4.02Å
176V98.8Very high98.6Very high1 Ų123.9 Ų23.91%0.00612%0.122CC..Hα-helixtrans-62-38.2175177.60000111T120 I123 V124 L131 M172 I178 H179 K180 A186T120-V176 HydrophobicContact CG2-CG1 4.14Å; I123-V176 HydrophobicContact CB-CG1 4.45Å; I123-V176 HydrophobicContact CG2-CG1 3.89Å; V124-V176 HydrophobicContact CG2-CG1 4.12Å; L131-V176 HydrophobicContact CD1-CG2 4.08Å; L131-V176 HydrophobicContact CD2-CG2 4.03Å; M172-V176 HydrophobicContact CG-CG2 4.34Å; M172-V176 WeakPolarHBondContact O-CG2 3.34Å; M172-V176 PolarHBondContact O-N 2.87Å; M172-V176 HydrophobicContact SD-CG2 4.18Å; V176-I178 VanDerWaalsContact C-N 3.26Å; V176-I178 PolarHBondContact O-N 2.94Å; V176-H179 PolarHBondContact O-N 3.28Å; V176-K180 VanDerWaalsContact O-CA 3.27Å; V176-K180 WeakPolarHBondContact O-CA 2.97Å; V176-K180 PolarHBondContact O-N 2.78Å; V176-A186 HydrophobicContact CG2-CB 4.48Å
177G98.5Very high98.6Very high8 Ų824.7 Ų24.78%0.08213%0.128CC..Hα-helixtrans-61.2-32.6176.600000113.7R173 V174 A175 I483R173-G177 WeakPolarHBondContact O-CA 3.13Å; R173-G177 PolarHBondContact O-N 2.81Å; V174-G177 PolarHBondContact O-N 3.38Å; A175-G177 VanDerWaalsContact C-N 3.28Å; A175-G177 PolarHBondContact O-N 3.38Å; G177-I483 WeakPolarHBondContact O-CD1 3.35Å
178I98.6Very high98.6Very high2 Ų228.6 Ų28.61%0.0115%0.146CC..Hα-helixtrans-83.2-45.3177.9-66.9166.8000111.7V174 A175 V176 H200 T204 N476 K479 I480 I483V174-I178 HydrophobicContact CG1-CD1 3.85Å; V174-I178 WeakPolarHBondContact O-CG1 3.13Å; V174-I178 PolarHBondContact O-N 2.66Å; A175-I178 PolarHBondContact O-N 3.42Å; A175-I178 VanDerWaalsContact O-N 3.15Å; V176-I178 VanDerWaalsContact C-N 3.26Å; V176-I178 PolarHBondContact O-N 2.94Å; I178-H200 VanDerWaalsContact CD1-NE2 3.3Å; I178-H200 WeakPolarHBondContact CD1-NE2 3.33Å; I178-T204 HydrophobicContact CD1-CG2 4.01Å; I178-T204 HydrophobicContact CG1-CG2 4.48Å; I178-N476 HydrophobicContact CG2-CB 4.29Å; I178-K479 HydrophobicContact CG2-CB 4.13Å; I178-I480 HydrophobicContact CD1-CD1 3.96Å; I178-I480 HydrophobicContact CD1-CG1 4.38Å; I178-I480 HydrophobicContact CG1-CD1 4.17Å; I178-I480 HydrophobicContact CG1-CG1 4.03Å; I178-I480 HydrophobicContact CG2-CG1 4.4Å; I178-I483 HydrophobicContact CB-CD1 4.48Å; I178-I483 HydrophobicContact CG1-CD1 4.4Å
179H98.6Very high98.6Very high11 Ų1128.6 Ų28.65%0.05115%0.146CC..Hα-helixtrans-96.5-16.5-168-66.9-91.7000113.9A175 V176 E181 D182 A185 A186 T189 N476 K479A175-H179 WeakPolarHBondContact O-CB 3.38Å; A175-H179 PolarHBondContact O-CD2 2.89Å; A175-H179 PolarHBondContact O-N 3.18Å; V176-H179 PolarHBondContact O-N 3.28Å; H179-E181 PolarHBondContact O-N 2.91Å; H179-D182 HydrophobicContact CB-CB 4.38Å; H179-D182 WeakPolarHBondContact CB-O 3.21Å; H179-D182 WeakPolarHBondContact O-CB 3.5Å; H179-D182 PolarHBondContact O-N 2.92Å; H179-D182 VanDerWaalsContact O-N 3.09Å; H179-A185 WeakPolarHBondContact ND1-CB 3.46Å; H179-A186 HydrophobicContact CB-CB 3.91Å; H179-T189 WeakPolarHBondContact NE2-CB 3.28Å; H179-T189 PolarHBondContact NE2-OG1 3.37Å; H179-N476 PolarHBondContact CE1-OD1 2.92Å; H179-N476 PolarHBondContact NE2-OD1 3.03Å; H179-K479 PolarHBondContact ND1-NZ 3.32Å
180K97.9Very high98.6Very high67 Ų6728.6 Ų28.629%0.29115%0.146SC..THydrogen-bonded Turntrans51.7-121.5-178.9-60-175.4170.3-159.80111.1E119 I123 V176 D182 I483E119-K180 VanDerWaalsContact CD-NZ 3.31Å; E119-K180 WeakPolarHBondContact OE1-CD 3.32Å; E119-K180 VanDerWaalsContact OE1-CE 3.32Å; E119-K180 WeakPolarHBondContact OE1-CE 3.35Å; E119-K180 IonicContact OE1-NZ 2.64Å; E119-K180 PolarHBondContact OE1-NZ 2.8Å; E119-K180 IonicContact OE2-NZ 3.82Å; E119-K180 PolarHBondContact OE2-NZ 3.44Å; E119-K180 VanDerWaalsContact OE2-NZ 3.16Å; I123-K180 HydrophobicContact CD1-CB 3.87Å; I123-K180 HydrophobicContact CD1-CG 4.5Å; V176-K180 VanDerWaalsContact O-CA 3.27Å; V176-K180 WeakPolarHBondContact O-CA 2.97Å; V176-K180 PolarHBondContact O-N 2.78Å; K180-D182 PolarHBondContact O-N 2.71Å; K180-I483 HydrophobicContact CD-CG2 4.45Å
181E97.8Very high98.6Very high157 Ų15730.7 Ų30.773%0.73416%0.158SC*.THydrogen-bonded Turntrans-69.9-13.4-177.6-63.1174-179.200113.7I123 H179 I183I123-E181 HydrophobicContact CD1-CG 4.22Å; I123-E181 HydrophobicContact CG1-CG 4.27Å; H179-E181 PolarHBondContact O-N 2.91Å; E181-I183 VanDerWaalsContact C-N 3.29Å; E181-I183 PolarHBondContact O-N 3.33Å
182D98.3Very high98.6Very high68 Ų6831 Ų3136%0.36416%0.16SC..  trans-79.577.1174.6-177.5-2.5000110.3H179 K180 D184 A185 A186 K479H179-D182 HydrophobicContact CB-CB 4.38Å; H179-D182 WeakPolarHBondContact CB-O 3.21Å; H179-D182 WeakPolarHBondContact O-CB 3.5Å; H179-D182 PolarHBondContact O-N 2.92Å; H179-D182 VanDerWaalsContact O-N 3.09Å; K180-D182 PolarHBondContact O-N 2.71Å; D182-D184 VanDerWaalsContact C-N 3.34Å; D182-D184 PolarHBondContact O-N 2.82Å; D182-A185 HydrophobicContact CB-CB 4.47Å; D182-A185 VanDerWaalsContact CG-CB 3.43Å; D182-A185 PolarHBondContact O-N 3.13Å; D182-A185 VanDerWaalsContact OD1-CB 3.29Å; D182-A185 WeakPolarHBondContact OD1-CB 3.48Å; D182-A185 PolarHBondContact OD1-N 3.45Å; D182-A185 VanDerWaalsContact OD2-CB 3.27Å; D182-A185 WeakPolarHBondContact OD2-CB 3.49Å; D182-A186 PolarHBondContact O-N 3.07Å; D182-K479 IonicContact OD2-NZ 2.89Å; D182-K479 PolarHBondContact OD2-NZ 3.12Å
183I98.4Very high98.6Very high15 Ų1531.2 Ų31.28%0.07716%0.161CC..Hα-helixtrans-66.7-33.9-173.6-54.8-56.4000112.2I123 N127 L130 L131 E181 A186 V187I123-I183 HydrophobicContact CG2-CD1 3.88Å; N127-I183 HydrophobicContact CB-CD1 4.14Å; N127-I183 HydrophobicContact CB-CG1 4.25Å; L130-I183 HydrophobicContact CD2-CG2 3.62Å; L130-I183 HydrophobicContact CG-CG2 4.33Å; L131-I183 HydrophobicContact CD2-CG2 3.97Å; E181-I183 VanDerWaalsContact C-N 3.29Å; E181-I183 PolarHBondContact O-N 3.33Å; I183-A186 WeakPolarHBondContact O-CB 3.47Å; I183-A186 PolarHBondContact O-N 3.3Å; I183-V187 HydrophobicContact CG2-CG2 4.26Å; I183-V187 WeakPolarHBondContact O-CG2 3.16Å; I183-V187 PolarHBondContact O-N 3.41Å
184D98.5Very high98.6Very high135 Ų13531.3 Ų31.372%0.72216%0.161SC*.Hα-helixtrans-62.1-47.4177.9-71.4-29.9000110.7D182 A186 V187 E188D182-D184 VanDerWaalsContact C-N 3.34Å; D182-D184 PolarHBondContact O-N 2.82Å; D184-A186 VanDerWaalsContact C-N 3.33Å; D184-A186 PolarHBondContact O-N 2.91Å; D184-V187 PolarHBondContact O-N 3.45Å; D184-E188 PolarHBondContact O-N 2.99Å
185A98.5Very high98.6Very high15 Ų1535 Ų3512%0.12418%0.178CC..Hα-helixtrans-70.1-30176.100000112.4H179 D182 T189H179-A185 WeakPolarHBondContact ND1-CB 3.46Å; D182-A185 HydrophobicContact CB-CB 4.47Å; D182-A185 VanDerWaalsContact CG-CB 3.43Å; D182-A185 PolarHBondContact O-N 3.13Å; D182-A185 VanDerWaalsContact OD1-CB 3.29Å; D182-A185 WeakPolarHBondContact OD1-CB 3.48Å; D182-A185 PolarHBondContact OD1-N 3.45Å; D182-A185 VanDerWaalsContact OD2-CB 3.27Å; D182-A185 WeakPolarHBondContact OD2-CB 3.49Å; A185-T189 WeakPolarHBondContact O-CB 3.36Å; A185-T189 PolarHBondContact O-N 3.29Å; A185-T189 PolarHBondContact O-OG1 2.8Å
186A98.8Very high98.6Very high0 Ų036 Ų360%018%0.183CC..Hα-helixtrans-62.2-45.217100000111.3A175 V176 H179 D182 I183 D184 T189 Y190A175-A186 HydrophobicContact CB-CB 4.37Å; A175-A186 VanDerWaalsContact CB-O 3.24Å; A175-A186 WeakPolarHBondContact CB-O 3.46Å; V176-A186 HydrophobicContact CG2-CB 4.48Å; H179-A186 HydrophobicContact CB-CB 3.91Å; D182-A186 PolarHBondContact O-N 3.07Å; I183-A186 WeakPolarHBondContact O-CB 3.47Å; I183-A186 PolarHBondContact O-N 3.3Å; D184-A186 VanDerWaalsContact C-N 3.33Å; D184-A186 PolarHBondContact O-N 2.91Å; A186-T189 PolarHBondContact O-N 3.38Å; A186-Y190 VanDerWaalsContact O-CB 3.31Å; A186-Y190 WeakPolarHBondContact O-CB 3.4Å; A186-Y190 PolarHBondContact O-N 3.29Å
187V98.8Very high98.6Very high31 Ų3138 Ų3819%0.18819%0.19CC..Hα-helixtrans-68.3-39.7178.5172.60000111.4A134 I183 D184 Y190 N191A134-V187 HydrophobicContact CB-CG1 4.38Å; A134-V187 HydrophobicContact CB-CG2 4.22Å; I183-V187 HydrophobicContact CG2-CG2 4.26Å; I183-V187 WeakPolarHBondContact O-CG2 3.16Å; I183-V187 PolarHBondContact O-N 3.41Å; D184-V187 PolarHBondContact O-N 3.45Å; V187-Y190 PolarHBondContact O-N 3.34Å; V187-N191 WeakPolarHBondContact O-CB 3.37Å; V187-N191 PolarHBondContact O-N 3.33Å; V187-N191 PolarHBondContact O-ND2 3.41Å
188E98.8Very high98.6Very high82 Ų8237.7 Ų37.738%0.38319%0.186SC..Hα-helixtrans-56.8-53.4172.6-178.2-177.7-135.800110.8D184 Y190 N191 L192 V472D184-E188 PolarHBondContact O-N 2.99Å; E188-Y190 PolarHBondContact O-N 2.89Å; E188-N191 PolarHBondContact O-N 3.17Å; E188-L192 HydrophobicContact CG-CD1 4.23Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.12Å; E188-V472 HydrophobicContact CG-CG2 4.41Å
189T98.9Very high98.6Very high0 Ų038 Ų380%019%0.188CC..Hα-helixtrans-62.2-42.8178.9-74.90000111.9A175 H179 A185 A186 N191 L192 L193 F198 N476A175-T189 HydrophobicContact CB-CG2 4.02Å; H179-T189 WeakPolarHBondContact NE2-CB 3.28Å; H179-T189 PolarHBondContact NE2-OG1 3.37Å; A185-T189 WeakPolarHBondContact O-CB 3.36Å; A185-T189 PolarHBondContact O-N 3.29Å; A185-T189 PolarHBondContact O-OG1 2.8Å; A186-T189 PolarHBondContact O-N 3.38Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 2.98Å; T189-L192 PolarHBondContact O-N 3.34Å; T189-L193 HydrophobicContact CG2-CD1 3.67Å; T189-L193 HydrophobicContact CG2-CG 4.13Å; T189-L193 WeakPolarHBondContact O-CB 3.49Å; T189-L193 VanDerWaalsContact O-CG 3.24Å; T189-L193 WeakPolarHBondContact O-CG 3.35Å; T189-L193 PolarHBondContact O-N 2.88Å; T189-F198 HydrophobicContact CG2-CZ 4.37Å; T189-N476 PolarHBondContact OG1-ND2 3.36Å; T189-N476 PolarHBondContact OG1-OD1 3.27Å
190Y98.9Very high98.6Very high0 Ų037.4 Ų37.40%019%0.186CC..Hα-helixtrans-57.8-46.8175.9163.2-101.8000111.6A134 I135 I136 Q168 L171 M172 A186 V187 E188 L193 S194A134-Y190 VanDerWaalsContact O-CE1 3.32Å; A134-Y190 WeakPolarHBondContact O-CE1 3.37Å; I135-Y190 WeakPolarHBondContact CA-OH 3.42Å; I135-Y190 HydrophobicContact CG1-CE2 4.32Å; I136-Y190 PolarHBondContact N-OH 2.97Å; Q168-Y190 HydrophobicContact CB-CE2 4.47Å; Q168-Y190 PolarHBondContact OE1-OH 3.31Å; L171-Y190 HydrophobicContact CB-CD2 4.1Å; L171-Y190 HydrophobicContact CB-CE2 4.29Å; M172-Y190 HydrophobicContact CB-CD2 4.11Å; M172-Y190 HydrophobicContact CE-CD1 3.58Å; M172-Y190 HydrophobicContact CE-CD2 3.81Å; M172-Y190 HydrophobicContact CE-CE1 4.14Å; M172-Y190 HydrophobicContact CE-CE2 4.35Å; M172-Y190 HydrophobicContact CE-CG 3.4Å; M172-Y190 HydrophobicContact SD-CD2 4.42Å; M172-Y190 HydrophobicContact SD-CG 4.18Å; A186-Y190 VanDerWaalsContact O-CB 3.31Å; A186-Y190 WeakPolarHBondContact O-CB 3.4Å; A186-Y190 PolarHBondContact O-N 3.29Å; V187-Y190 PolarHBondContact O-N 3.34Å; E188-Y190 PolarHBondContact O-N 2.89Å; Y190-L193 PolarHBondContact O-N 3.32Å; Y190-S194 VanDerWaalsContact O-CB 3.27Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 3.44Å; Y190-S194 PolarHBondContact O-OG 3.01Å
191N98.9Very high98.5Very high46 Ų4634.6 Ų34.625%0.24618%0.175CC..Hα-helixtrans-61.4-47.8178.9-79.2-49.3000110.9R139 V187 E188 T189 L193 S194 E195R139-N191 PolarHBondContact NH1-OD1 2.67Å; R139-N191 PolarHBondContact NH2-OD1 2.99Å; V187-N191 WeakPolarHBondContact O-CB 3.37Å; V187-N191 PolarHBondContact O-N 3.33Å; V187-N191 PolarHBondContact O-ND2 3.41Å; E188-N191 PolarHBondContact O-N 3.17Å; T189-N191 VanDerWaalsContact C-N 3.34Å; T189-N191 PolarHBondContact O-N 2.98Å; N191-L193 PolarHBondContact O-N 3.1Å; N191-S194 PolarHBondContact O-N 3.39Å; N191-S194 PolarHBondContact O-OG 2.9Å; N191-E195 VanDerWaalsContact O-CB 3.29Å; N191-E195 WeakPolarHBondContact O-CB 3.29Å; N191-E195 VanDerWaalsContact O-CG 3.29Å; N191-E195 WeakPolarHBondContact O-CG 3.49Å; N191-E195 PolarHBondContact O-N 3.49Å
192L98.9Very high98.3Very high14 Ų1428.1 Ų28.17%0.07315%0.147CC..Hα-helixtrans-64.2-38.8-179.4-68.4175.8000113.3E188 T189 K196 W197 F198 V469 V472E188-L192 HydrophobicContact CG-CD1 4.23Å; E188-L192 WeakPolarHBondContact O-CG 3.32Å; E188-L192 PolarHBondContact O-N 3.12Å; T189-L192 PolarHBondContact O-N 3.34Å; L192-K196 PolarHBondContact O-N 3.24Å; L192-W197 HydrophobicContact CD2-CB 4.32Å; L192-W197 HydrophobicContact CD2-CG 4.04Å; L192-W197 PolarHBondContact O-N 2.86Å; L192-F198 HydrophobicContact CB-CD1 3.95Å; L192-F198 HydrophobicContact CB-CE1 3.54Å; L192-F198 HydrophobicContact CD1-CE1 4.17Å; L192-V469 HydrophobicContact CD2-CG2 4.01Å; L192-V472 HydrophobicContact CD1-CB 4Å; L192-V472 HydrophobicContact CD1-CG1 3.86Å; L192-V472 HydrophobicContact CD1-CG2 3.92Å
193L98.8Very high98Very high4 Ų425 Ų252%0.02113%0.131CC..Hα-helixtrans-68.5-45.6175.7-71.8173.9000112.1L171 V174 T189 Y190 N191 E195 K196 F198L171-L193 HydrophobicContact CD1-CB 4.46Å; L171-L193 HydrophobicContact CD2-CB 4.08Å; L171-L193 HydrophobicContact CD2-CD1 4.44Å; V174-L193 HydrophobicContact CG1-CD1 4.22Å; T189-L193 HydrophobicContact CG2-CD1 3.67Å; T189-L193 HydrophobicContact CG2-CG 4.13Å; T189-L193 WeakPolarHBondContact O-CB 3.49Å; T189-L193 VanDerWaalsContact O-CG 3.24Å; T189-L193 WeakPolarHBondContact O-CG 3.35Å; T189-L193 PolarHBondContact O-N 2.88Å; Y190-L193 PolarHBondContact O-N 3.32Å; N191-L193 PolarHBondContact O-N 3.1Å; L193-E195 VanDerWaalsContact C-N 3.34Å; L193-K196 WeakPolarHBondContact O-CA 3.48Å; L193-K196 PolarHBondContact O-N 3.27Å; L193-F198 HydrophobicContact CD2-CD2 3.98Å; L193-F198 HydrophobicContact CD2-CE1 4.24Å; L193-F198 HydrophobicContact CD2-CE2 3.56Å; L193-F198 HydrophobicContact CD2-CG 4.46Å; L193-F198 HydrophobicContact CD2-CZ 3.71Å; L193-F198 HydrophobicContact CG-CE1 4.37Å; L193-F198 HydrophobicContact CG-CE2 4.32Å; L193-F198 HydrophobicContact CG-CZ 3.96Å
194S98.6Very high97.9Very high1 Ų124.4 Ų24.41%0.00713%0.127CC..Hα-helixtrans-74.7-24.8-17659.40000113.3R139 Y190 N191 K196R139-S194 WeakPolarHBondContact CD-OG 3.27Å; R139-S194 PolarHBondContact NH1-OG 3.43Å; Y190-S194 VanDerWaalsContact O-CB 3.27Å; Y190-S194 WeakPolarHBondContact O-CB 3.46Å; Y190-S194 PolarHBondContact O-N 3.44Å; Y190-S194 PolarHBondContact O-OG 3.01Å; N191-S194 PolarHBondContact O-N 3.39Å; N191-S194 PolarHBondContact O-OG 2.9Å; S194-K196 VanDerWaalsContact C-N 3.28Å
195E98.4Very high97.9Very high77 Ų7718 Ų1836%0.369%0.093SC..THydrogen-bonded Turntrans-84.4-0.8167.4-66.7177174.300113.1R139 N191 L193 W197 M453R139-E195 IonicContact CZ-OE1 2.72Å; R139-E195 IonicContact NE-OE1 2.84Å; R139-E195 IonicContact NH2-OE1 3.8Å; R139-E195 PolarHBondContact NH2-OE1 3.37Å; N191-E195 VanDerWaalsContact O-CB 3.29Å; N191-E195 WeakPolarHBondContact O-CB 3.29Å; N191-E195 VanDerWaalsContact O-CG 3.29Å; N191-E195 WeakPolarHBondContact O-CG 3.49Å; N191-E195 PolarHBondContact O-N 3.49Å; L193-E195 VanDerWaalsContact C-N 3.34Å; E195-W197 PolarHBondContact O-N 3.16Å; E195-W197 PolarHBondContact OE2-NE1 3.14Å; E195-M453 WeakPolarHBondContact O-CE 3.12Å
196K98.3Very high97.6Very high23 Ų2320 Ų2010%0.110%0.099CC..THydrogen-bonded Turntrans67.822.4174.2-50.4-179.4176.71780116.1S142 L192 L193 S194 F198 A450 L611S142-K196 PolarHBondContact O-NZ 3.15Å; S142-K196 WeakPolarHBondContact OG-CE 3.31Å; S142-K196 PolarHBondContact OG-NZ 3.11Å; L192-K196 PolarHBondContact O-N 3.24Å; L193-K196 WeakPolarHBondContact O-CA 3.48Å; L193-K196 PolarHBondContact O-N 3.27Å; S194-K196 VanDerWaalsContact C-N 3.28Å; K196-F198 PolarHBondContact O-N 2.66Å; K196-A450 WeakPolarHBondContact O-CB 3.18Å; K196-L611 HydrophobicContact CB-CD2 4.06Å; K196-L611 HydrophobicContact CD-CD2 4.17Å; K196-L611 HydrophobicContact CG-CD2 3.95Å
197W98.8Very high97.5Very high43 Ų4322.1 Ų22.116%0.16311%0.11CC..SBendtrans-62.1-32.7176-66.8100.5000112.9L192 E195 A450 M453 Y454 K465 V469L192-W197 HydrophobicContact CD2-CB 4.32Å; L192-W197 HydrophobicContact CD2-CG 4.04Å; L192-W197 PolarHBondContact O-N 2.86Å; E195-W197 PolarHBondContact O-N 3.16Å; E195-W197 PolarHBondContact OE2-NE1 3.14Å; W197-A450 PolarHBondContact O-N 3.09Å; W197-M453 HydrophobicContact CE3-CB 3.79Å; W197-M453 HydrophobicContact CZ3-CB 3.95Å; W197-M453 WeakPolarHBondContact CZ3-O 3.31Å; W197-Y454 HydrophobicContact CE3-CD1 4.1Å; W197-Y454 AromaticContact CE3-CE1 3.69Å; W197-Y454 HydrophobicContact CE3-CE1 3.69Å; W197-Y454 HydrophobicContact CE3-CE2 4.47Å; W197-Y454 AromaticContact CE3-CZ 3.89Å; W197-Y454 HydrophobicContact CZ3-CD1 4.01Å; W197-Y454 HydrophobicContact CZ3-CE1 4.05Å; W197-Y454 HydrophobicContact CZ3-CG 4.49Å; W197-Y454 PolarHBondContact O-OH 3.4Å; W197-K465 HydrophobicContact CE3-CG 4.15Å; W197-K465 HydrophobicContact CH2-CG 4.04Å; W197-K465 HydrophobicContact CZ3-CD 4.49Å; W197-K465 HydrophobicContact CZ3-CG 3.7Å; W197-V469 HydrophobicContact CB-CG1 4.18Å; W197-V469 HydrophobicContact CB-CG2 4.25Å
198F98.8Very high97.5Very high0 Ų020.6 Ų20.60%010%0.101CC..EExtended strand (participates in β ladder)trans-154.5174.4173.779.5-84.5000109.9T189 L192 L193 K196 H200 S448 L449 V469 I473T189-F198 HydrophobicContact CG2-CZ 4.37Å; L192-F198 HydrophobicContact CB-CD1 3.95Å; L192-F198 HydrophobicContact CB-CE1 3.54Å; L192-F198 HydrophobicContact CD1-CE1 4.17Å; L193-F198 HydrophobicContact CD2-CD2 3.98Å; L193-F198 HydrophobicContact CD2-CE1 4.24Å; L193-F198 HydrophobicContact CD2-CE2 3.56Å; L193-F198 HydrophobicContact CD2-CG 4.46Å; L193-F198 HydrophobicContact CD2-CZ 3.71Å; L193-F198 HydrophobicContact CG-CE1 4.37Å; L193-F198 HydrophobicContact CG-CE2 4.32Å; L193-F198 HydrophobicContact CG-CZ 3.96Å; K196-F198 PolarHBondContact O-N 2.66Å; F198-H200 AromaticContact CE2-CD2 3.91Å; F198-H200 AromaticContact CE2-CE1 3.95Å; F198-H200 AromaticContact CE2-NE2 3.64Å; F198-S448 CarbonylContact C-O 3.48Å; F198-S448 VanDerWaalsContact CA-O 3.26Å; F198-S448 WeakPolarHBondContact CA-O 3.39Å; F198-S448 WeakPolarHBondContact CB-O 3.44Å; F198-L449 HydrophobicContact CB-CD2 4.3Å; F198-V469 HydrophobicContact CB-CG1 4.27Å; F198-V469 HydrophobicContact CD1-CG1 3.67Å; F198-V469 HydrophobicContact CE1-CG1 4.44Å; F198-V469 HydrophobicContact CG-CG1 4.3Å; F198-I473 HydrophobicContact CB-CD1 3.59Å; F198-I473 HydrophobicContact CB-CG1 4.28Å; F198-I473 HydrophobicContact CD1-CD1 4.28Å; F198-I473 HydrophobicContact CD1-CG1 4.09Å; F198-I473 HydrophobicContact CD2-CD1 3.75Å; F198-I473 HydrophobicContact CD2-CG1 3.6Å; F198-I473 HydrophobicContact CE1-CG1 4.3Å; F198-I473 HydrophobicContact CE2-CG1 3.87Å; F198-I473 HydrophobicContact CG-CD1 3.62Å; F198-I473 HydrophobicContact CG-CG1 3.74Å; F198-I473 HydrophobicContact CZ-CG1 4.21Å
199T98.8Very high97.4Very high8 Ų816.9 Ų16.95%0.0499%0.085CC..EExtended strand (participates in β ladder)trans-144.9150167.2-170.60000111.4A447 S448 T607 L611T199-A447 CarbonylContact O-C 3.43Å; T199-A447 WeakPolarHBondContact O-CA 3.17Å; T199-S448 PolarHBondContact N-O 2.63Å; T199-S448 PolarHBondContact O-N 3.11Å; T199-T607 HydrophobicContact CG2-CG2 4.05Å; T199-L611 HydrophobicContact CG2-CD1 4.01Å; T199-L611 HydrophobicContact CG2-CG 4.45Å
200H98.6Very high97.3Very high0 Ų017.7 Ų17.70%09%0.09CC..EExtended strand (participates in β ladder)trans-76.3159.3170-72.9-68.4000110.9I178 F198 T204 L205I178-H200 VanDerWaalsContact CD1-NE2 3.3Å; I178-H200 WeakPolarHBondContact CD1-NE2 3.33Å; F198-H200 AromaticContact CE2-CD2 3.91Å; F198-H200 AromaticContact CE2-CE1 3.95Å; F198-H200 AromaticContact CE2-NE2 3.64Å; H200-T204 HydrophobicContact CB-CG2 3.72Å; H200-L205 HydrophobicContact CB-CD2 4.37Å
201A96Very high97Very high8 Ų821.4 Ų21.47%0.06611%0.113CC..  trans-63.6159.9175.900000112.7P203 T204 L205 S217 L446A201-P203 VanDerWaalsContact C-CD 3.46Å; A201-T204 WeakPolarHBondContact O-CB 3.3Å; A201-T204 PolarHBondContact O-N 3.27Å; A201-T204 VanDerWaalsContact O-N 3.07Å; A201-L205 PolarHBondContact O-N 2.85Å; A201-S217 VanDerWaalsContact CB-OG 3.31Å; A201-S217 WeakPolarHBondContact CB-OG 3.26Å; A201-L446 HydrophobicContact CB-CB 3.7Å; A201-L446 WeakPolarHBondContact CB-O 3.38Å; A201-L446 PolarHBondContact N-O 2.79Å
202S93.2Very high96.5Very high21 Ų2127.2 Ų27.215%0.14713%0.131CC..Hα-helixtrans-51.9-43.3-174.9-550000114.9Y155 T204 L205 F206Y155-S202 WeakPolarHBondContact OH-CB 3.45Å; Y155-S202 PolarHBondContact OH-OG 3.35Å; S202-T204 VanDerWaalsContact C-N 3.33Å; S202-T204 PolarHBondContact O-N 3.02Å; S202-L205 PolarHBondContact O-N 2.88Å; S202-L205 VanDerWaalsContact O-N 3.16Å; S202-F206 WeakPolarHBondContact O-CD2 3.4Å; S202-F206 VanDerWaalsContact O-CG 3.26Å; S202-F206 WeakPolarHBondContact O-CG 3.2Å; S202-F206 PolarHBondContact O-N 3.03Å
203P93Very high96.2Very high3 Ų328 Ų282%0.01914%0.137CC..Hα-helixtrans-61.3-39.5178.8-22.935.5000112.9A201 F206 N207 S217A201-P203 VanDerWaalsContact C-CD 3.46Å; P203-F206 PolarHBondContact O-N 3.46Å; P203-N207 WeakPolarHBondContact O-CB 3.37Å; P203-N207 PolarHBondContact O-N 2.87Å; P203-N207 PolarHBondContact O-ND2 3.34Å; P203-S217 WeakPolarHBondContact CD-OG 3.38Å
204T96.8Very high95.9Very high1 Ų128 Ų281%0.00614%0.137CC..Hα-helixtrans-61.2-46.6173-52.40000111.5V174 I178 H200 A201 S202 F206 N207 A208 L215 I480V174-T204 HydrophobicContact CG1-CG2 4.21Å; I178-T204 HydrophobicContact CD1-CG2 4.01Å; I178-T204 HydrophobicContact CG1-CG2 4.48Å; H200-T204 HydrophobicContact CB-CG2 3.72Å; A201-T204 WeakPolarHBondContact O-CB 3.3Å; A201-T204 PolarHBondContact O-N 3.27Å; A201-T204 VanDerWaalsContact O-N 3.07Å; S202-T204 VanDerWaalsContact C-N 3.33Å; S202-T204 PolarHBondContact O-N 3.02Å; T204-F206 VanDerWaalsContact C-N 3.3Å; T204-F206 PolarHBondContact O-N 2.98Å; T204-N207 PolarHBondContact O-N 3.09Å; T204-A208 HydrophobicContact CG2-CB 4.25Å; T204-A208 WeakPolarHBondContact O-CB 3.27Å; T204-A208 PolarHBondContact O-N 3.18Å; T204-L215 PolarHBondContact OG1-O 3.47Å; T204-L215 VanDerWaalsContact OG1-O 3.1Å; T204-I480 HydrophobicContact CG2-CD1 3.93Å
205L96.8Very high95.8Very high2 Ų228 Ų281%0.0114%0.137CC..Hα-helixtrans-62.3-37.2178.7-59.9177.7000112.3Y155 M170 R173 V174 H200 A201 S202 T607Y155-L205 HydrophobicContact CD1-CB 3.77Å; Y155-L205 HydrophobicContact CD1-CD1 4.06Å; Y155-L205 HydrophobicContact CE1-CB 4.02Å; Y155-L205 HydrophobicContact CE1-CD1 3.86Å; M170-L205 HydrophobicContact SD-CB 4.33Å; M170-L205 HydrophobicContact SD-CD2 4.05Å; R173-L205 PolarHBondContact NH1-O 3.41Å; V174-L205 HydrophobicContact CG1-CD2 4.48Å; V174-L205 HydrophobicContact CG2-CD2 4.15Å; H200-L205 HydrophobicContact CB-CD2 4.37Å; A201-L205 PolarHBondContact O-N 2.85Å; S202-L205 PolarHBondContact O-N 2.88Å; S202-L205 VanDerWaalsContact O-N 3.16Å; L205-T607 HydrophobicContact CD1-CG2 4.33Å
206F93.5Very high95.4Very high57 Ų5724.3 Ų24.325%0.2512%0.12CC..Hα-helixtrans-70.8-44.5177.4-65.5-41.9000112.8S154 Y155 S202 P203 T204S154-F206 WeakPolarHBondContact O-CE1 3.24Å; Y155-F206 AromaticContact CD1-CD1 3.75Å; Y155-F206 HydrophobicContact CD1-CD1 3.75Å; Y155-F206 AromaticContact CD1-CE1 3.31Å; Y155-F206 HydrophobicContact CD1-CE1 3.31Å; Y155-F206 AromaticContact CD1-CZ 3.95Å; Y155-F206 HydrophobicContact CD1-CZ 3.95Å; Y155-F206 AromaticContact CD2-CE1 3.91Å; Y155-F206 HydrophobicContact CD2-CE1 3.91Å; Y155-F206 HydrophobicContact CD2-CZ 4.38Å; Y155-F206 HydrophobicContact CE1-CD1 4.11Å; Y155-F206 AromaticContact CE1-CE1 3.45Å; Y155-F206 HydrophobicContact CE1-CE1 3.45Å; Y155-F206 VanDerWaalsContact CE1-CE1 3.45Å; Y155-F206 HydrophobicContact CE1-CE2 4.29Å; Y155-F206 AromaticContact CE1-CZ 3.56Å; Y155-F206 HydrophobicContact CE1-CZ 3.56Å; Y155-F206 HydrophobicContact CE2-CE1 4.01Å; Y155-F206 HydrophobicContact CE2-CZ 4.01Å; Y155-F206 HydrophobicContact CG-CD1 4.21Å; Y155-F206 AromaticContact CG-CE1 3.56Å; Y155-F206 HydrophobicContact CG-CE1 3.56Å; Y155-F206 HydrophobicContact CG-CZ 4.34Å; Y155-F206 AromaticContact CZ-CE1 3.8Å; Y155-F206 AromaticContact CZ-CZ 3.59Å; S202-F206 WeakPolarHBondContact O-CD2 3.4Å; S202-F206 VanDerWaalsContact O-CG 3.26Å; S202-F206 WeakPolarHBondContact O-CG 3.2Å; S202-F206 PolarHBondContact O-N 3.03Å; P203-F206 PolarHBondContact O-N 3.46Å; T204-F206 VanDerWaalsContact C-N 3.3Å; T204-F206 PolarHBondContact O-N 2.98Å
207N95.9Very high94.7Very high43 Ų4323.5 Ų23.523%0.2312%0.117CC..Hα-helixtrans-115.3-12.3-158.5-60.5-36.2000114.6P203 T204 G209 T210 P213 Q214 L215P203-N207 WeakPolarHBondContact O-CB 3.37Å; P203-N207 PolarHBondContact O-N 2.87Å; P203-N207 PolarHBondContact O-ND2 3.34Å; T204-N207 PolarHBondContact O-N 3.09Å; N207-G209 PolarHBondContact O-N 2.98Å; N207-T210 WeakPolarHBondContact O-CB 3.23Å; N207-T210 WeakPolarHBondContact O-CG2 3.49Å; N207-T210 PolarHBondContact O-N 2.93Å; N207-T210 PolarHBondContact O-OG1 3.46Å; N207-P213 WeakPolarHBondContact O-CB 3.41Å; N207-Q214 WeakPolarHBondContact CB-O 3.38Å; N207-Q214 PolarHBondContact ND2-O 3.22Å; N207-L215 HydrophobicContact CB-CD2 3.99Å
208A98Very high94.2Very high0 Ų021.7 Ų21.70%011%0.111CC..THydrogen-bonded Turntrans-60.7133175.900000110.6R173 V174 T204 T210 L215R173-A208 WeakPolarHBondContact CG-O 3.33Å; R173-A208 PolarHBondContact NH1-O 3.25Å; V174-A208 HydrophobicContact CB-CB 4.27Å; V174-A208 HydrophobicContact CG1-CB 4.25Å; V174-A208 HydrophobicContact CG2-CB 4.15Å; T204-A208 HydrophobicContact CG2-CB 4.25Å; T204-A208 WeakPolarHBondContact O-CB 3.27Å; T204-A208 PolarHBondContact O-N 3.18Å; A208-T210 PolarHBondContact O-N 2.94Å; A208-L215 HydrophobicContact CB-CD2 3.98Å; A208-L215 VanDerWaalsContact N-CD2 3.34Å
209G97.3Very high94.2Very high4 Ų421.7 Ų21.74%0.04111%0.111CC..THydrogen-bonded Turntrans75.52.6-175.100000115.4I116 S117 T120 N207I116-G209 WeakPolarHBondContact CA-O 3.4Å; I116-G209 WeakPolarHBondContact CB-O 3.32Å; S117-G209 PolarHBondContact N-O 3.48Å; T120-G209 WeakPolarHBondContact OG1-CA 3.45Å; T120-G209 PolarHBondContact OG1-O 3.4Å; N207-G209 PolarHBondContact O-N 2.98Å
210T96.9Very high94.2Very high17 Ų1721.3 Ų21.310%0.10411%0.108CC..SBendtrans-89.7170.7177.674.10000112.6M115 N207 A208 R212M115-T210 WeakPolarHBondContact O-CB 3.24Å; M115-T210 WeakPolarHBondContact O-CG2 3.43Å; N207-T210 WeakPolarHBondContact O-CB 3.23Å; N207-T210 WeakPolarHBondContact O-CG2 3.49Å; N207-T210 PolarHBondContact O-N 2.93Å; N207-T210 PolarHBondContact O-OG1 3.46Å; A208-T210 PolarHBondContact O-N 2.94Å; T210-R212 VanDerWaalsContact C-N 3.26Å; T210-R212 PolarHBondContact O-N 3.28Å
211T92.9Very high94.1Very high78 Ų7821.3 Ų21.348%0.47911%0.109SC..SBendtrans-62.9-26-173.9560000115.2P114P114-T211 HydrophobicContact CB-CG2 4.36Å; P114-T211 HydrophobicContact CG-CG2 4.1Å; P114-T211 WeakPolarHBondContact O-CG2 3.45Å
212R88.9Confident94.2Very high167 Ų16721.2 Ų21.263%0.6311%0.107SC*.SBendtrans-139.879.4178.3-68.3-169.5-178-161.8-0.5108.3T210 Q214 Y485T210-R212 VanDerWaalsContact C-N 3.26Å; T210-R212 PolarHBondContact O-N 3.28Å; R212-Q214 PolarHBondContact O-N 2.91Å; R212-Y485 HydrophobicContact CB-CG 4.39Å
213P92.4Very high94.4Very high30 Ų3020.5 Ų20.520%0.19510%0.102CC..  trans-7587-168.530.4-34.7000110.6N207 L215 Y485N207-P213 WeakPolarHBondContact O-CB 3.41Å; P213-L215 HydrophobicContact CB-CD1 4.47Å; P213-L215 HydrophobicContact CB-CD2 3.85Å; P213-L215 HydrophobicContact CB-CG 4.15Å; P213-L215 PolarHBondContact O-N 3.26Å; P213-Y485 PolarHBondContact O-N 3.43Å
214Q92.8Very high94.4Very high5 Ų521.5 Ų21.52%0.02311%0.109CC..  trans-85.5105.4167.1-162.2-75.2-3100108N207 R212 S216 S244 Y485N207-Q214 WeakPolarHBondContact CB-O 3.38Å; N207-Q214 PolarHBondContact ND2-O 3.22Å; R212-Q214 PolarHBondContact O-N 2.91Å; Q214-S216 PolarHBondContact NE2-O 3.33Å; Q214-S216 PolarHBondContact OE1-O 3.45Å; Q214-S244 PolarHBondContact OE1-O 3Å; Q214-S244 VanDerWaalsContact OE1-O 3.11Å; Q214-Y485 WeakPolarHBondContact CG-O 3.45Å
215L95.1Very high94.1Very high1 Ų125.1 Ų25.11%0.00513%0.126CC..  trans-106.5-21.1-168.5-50.9-177.7000112.5T204 N207 A208 P213 I480 I483 N484T204-L215 PolarHBondContact OG1-O 3.47Å; T204-L215 VanDerWaalsContact OG1-O 3.1Å; N207-L215 HydrophobicContact CB-CD2 3.99Å; A208-L215 HydrophobicContact CB-CD2 3.98Å; A208-L215 VanDerWaalsContact N-CD2 3.34Å; P213-L215 HydrophobicContact CB-CD1 4.47Å; P213-L215 HydrophobicContact CB-CD2 3.85Å; P213-L215 HydrophobicContact CB-CG 4.15Å; P213-L215 PolarHBondContact O-N 3.26Å; L215-I480 HydrophobicContact CB-CG2 3.86Å; L215-I480 HydrophobicContact CD1-CG1 4.04Å; L215-I480 HydrophobicContact CD1-CG2 4.14Å; L215-I483 HydrophobicContact CD1-CD1 3.43Å; L215-I483 VanDerWaalsContact CD1-CD1 3.43Å; L215-I483 HydrophobicContact CD1-CG1 3.61Å; L215-N484 PolarHBondContact N-OD1 3.37Å
216S91.4Very high94Very high0 Ų027 Ų270%014%0.136CC..  trans-76.8148.3-178.6-45.90000112.4Q214 V443 C444 N445 N484Q214-S216 PolarHBondContact NE2-O 3.33Å; Q214-S216 PolarHBondContact OE1-O 3.45Å; S216-V443 VanDerWaalsContact OG-CG1 3.29Å; S216-V443 WeakPolarHBondContact OG-CG1 3.27Å; S216-C444 CarbonylContact C-O 3.49Å; S216-C444 WeakPolarHBondContact CA-O 3.48Å; S216-C444 WeakPolarHBondContact CB-O 3.06Å; S216-N445 PolarHBondContact OG-OD1 3.16Å; S216-N484 PolarHBondContact N-OD1 2.88Å; S216-N484 PolarHBondContact OG-ND2 3.15Å; S216-N484 PolarHBondContact OG-OD1 3.15Å
217S82.3Confident94.1Very high6 Ų626 Ų264%0.04214%0.136CC..  trans-96.3-36.5-170.7-66.60000115.5A201 P203 G247 C444A201-S217 VanDerWaalsContact CB-OG 3.31Å; A201-S217 WeakPolarHBondContact CB-OG 3.26Å; P203-S217 WeakPolarHBondContact CD-OG 3.38Å; S217-G247 PolarHBondContact O-N 2.67Å; S217-G247 VanDerWaalsContact O-N 3.13Å; S217-C444 PolarHBondContact N-O 2.7Å
218C89.4Confident94Very high4 Ų429.5 Ų29.53%0.02715%0.154CC..EExtended strand (participates in β ladder)trans-137.7151.1-171.7-63.60000110.9G247 N427 C444C218-G247 CarbonylContact C-O 3.33Å; C218-G247 WeakPolarHBondContact CA-O 3.48Å; C218-N427 HydrophobicContact CB-CB 4Å; C218-C444 HydrophobicContact CB-CB 3.98Å; C218-C444 PolarHBondContact O-N 2.9Å
219F97.8Very high93.9Very high0 Ų035.3 Ų35.30%018%0.184CC..EExtended strand (participates in β ladder)trans-129.9142.8177.2-62.9-97.4000109.5L221 I241 G247 I248 G249 V441 A442 V443 P487 A491F219-L221 HydrophobicContact CB-CD1 4.25Å; F219-I241 HydrophobicContact CB-CD1 4.02Å; F219-I241 HydrophobicContact CB-CG2 3.99Å; F219-I241 HydrophobicContact CD1-CD1 4.19Å; F219-I241 HydrophobicContact CD1-CG1 4.31Å; F219-I241 HydrophobicContact CD1-CG2 4.44Å; F219-I241 HydrophobicContact CD2-CB 4.48Å; F219-I241 HydrophobicContact CD2-CG2 3.25Å; F219-I241 HydrophobicContact CE2-CG2 3.76Å; F219-I241 HydrophobicContact CG-CD1 4.09Å; F219-I241 HydrophobicContact CG-CG1 4.25Å; F219-I241 HydrophobicContact CG-CG2 3.64Å; F219-G247 PolarHBondContact N-O 2.82Å; F219-I248 CarbonylContact O-C 3.6Å; F219-I248 WeakPolarHBondContact O-CA 3.43Å; F219-G249 PolarHBondContact O-N 2.74Å; F219-V441 HydrophobicContact CB-CG1 4.03Å; F219-V441 HydrophobicContact CD1-CG1 3.99Å; F219-A442 VanDerWaalsContact CA-O 3.24Å; F219-A442 WeakPolarHBondContact CA-O 3.4Å; F219-V443 HydrophobicContact CD1-CG1 4.44Å; F219-V443 HydrophobicContact CD1-CG2 3.88Å; F219-V443 HydrophobicContact CE1-CB 4.49Å; F219-V443 HydrophobicContact CE1-CG1 4.01Å; F219-V443 HydrophobicContact CE1-CG2 3.84Å; F219-V443 HydrophobicContact CZ-CG1 4.44Å; F219-P487 HydrophobicContact CE1-CG 3.98Å; F219-P487 HydrophobicContact CZ-CG 3.83Å; F219-A491 HydrophobicContact CD1-CB 4.12Å; F219-A491 HydrophobicContact CE1-CB 3.93Å
220L98.3Very high93.8Very high0 Ų035.2 Ų35.20%018%0.183CC..EExtended strand (participates in β ladder)trans-118.2132.8175.7-61.775.3000108.5G249 N427 I432 T436 V441 A442L220-G249 CarbonylContact C-O 3.32Å; L220-G249 WeakPolarHBondContact CA-O 3.39Å; L220-N427 HydrophobicContact CD1-CB 3.83Å; L220-N427 HydrophobicContact CG-CB 4.05Å; L220-I432 HydrophobicContact CD1-CB 4.28Å; L220-I432 HydrophobicContact CD1-CG2 3.61Å; L220-I432 HydrophobicContact CD2-CG2 4.22Å; L220-T436 HydrophobicContact CB-CG2 3.61Å; L220-T436 WeakPolarHBondContact O-CG2 3.08Å; L220-V441 CarbonylContact O-C 3.57Å; L220-V441 WeakPolarHBondContact O-CA 3.43Å; L220-V441 WeakPolarHBondContact O-CG1 3.23Å; L220-A442 HydrophobicContact CB-CB 4.06Å; L220-A442 HydrophobicContact CD1-CB 4.19Å; L220-A442 PolarHBondContact N-O 2.9Å; L220-A442 PolarHBondContact O-N 3.37Å; L220-A442 VanDerWaalsContact O-N 3.09Å
221L98.3Very high93.9Very high1 Ų135.5 Ų35.51%0.00518%0.184CC..EExtended strand (participates in β ladder)trans-125.7133.7-178.3-67.193.3000109.4F219 T234 Q237 I241 I248 G249 L250 A251 V441F219-L221 HydrophobicContact CB-CD1 4.25Å; L221-T234 HydrophobicContact CD2-CG2 4.3Å; L221-Q237 HydrophobicContact CD2-CB 3.86Å; L221-I241 HydrophobicContact CD1-CD1 3.9Å; L221-I241 HydrophobicContact CD2-CD1 4.18Å; L221-I248 HydrophobicContact CD1-CG2 3.52Å; L221-G249 PolarHBondContact N-O 2.72Å; L221-L250 HydrophobicContact CB-CD1 3.84Å; L221-L250 CarbonylContact O-C 3.41Å; L221-L250 WeakPolarHBondContact O-CA 3.49Å; L221-A251 PolarHBondContact O-N 3.49Å; L221-V441 HydrophobicContact CD1-CG1 4.1Å; L221-V441 HydrophobicContact CD2-CG2 3.99Å; L221-V441 HydrophobicContact CG-CG1 3.91Å; L221-V441 HydrophobicContact CG-CG2 3.92Å
222A96.8Very high94.1Very high5 Ų537.8 Ų37.84%0.04119%0.185CC..EExtended strand (participates in β ladder)trans-86.7139.2156.800000108.2S224 K424A222-S224 PolarHBondContact O-N 2.74Å; A222-K424 HydrophobicContact CB-CD 4.21Å
223M97.3Very high94.5Very high7 Ų734 Ų343%0.03418%0.177CC..  trans-56.4125.8168.5-177.765.967.900109.6E225 I231 T234 L250 A251 V252 I255 M275 Y279M223-E225 PolarHBondContact O-N 3.42Å; M223-I231 HydrophobicContact SD-CB 4.37Å; M223-I231 HydrophobicContact SD-CG1 3.98Å; M223-T234 HydrophobicContact SD-CG2 4.07Å; M223-L250 HydrophobicContact CE-CD2 4.47Å; M223-A251 WeakPolarHBondContact CB-O 3.49Å; M223-A251 PolarHBondContact N-O 3.39Å; M223-V252 HydrophobicContact CE-CG1 4.08Å; M223-I255 HydrophobicContact CE-CG1 4.3Å; M223-I255 HydrophobicContact CG-CD1 3.47Å; M223-I255 VanDerWaalsContact CG-CD1 3.47Å; M223-I255 HydrophobicContact CG-CG1 3.77Å; M223-I255 HydrophobicContact SD-CD1 4.27Å; M223-M275 HydrophobicContact CE-CE 3.86Å; M223-M275 HydrophobicContact CE-SD 3.83Å; M223-Y279 HydrophobicContact CE-CE2 4.29Å; M223-Y279 WeakPolarHBondContact CE-OH 3.36Å
224S92.8Very high94.8Very high24 Ų2432.5 Ų32.517%0.16817%0.168CC..  trans-60.3-47.9-168.2-65.50000112.9A222 T234A222-S224 PolarHBondContact O-N 2.74Å; S224-T234 PolarHBondContact N-OG1 3.22Å; S224-T234 VanDerWaalsContact N-OG1 3.16Å; S224-T234 PolarHBondContact OG-OG1 3.48Å; S224-T234 VanDerWaalsContact OG-OG1 3.07Å
225E91.8Very high95Very high76 Ų7633.1 Ų33.136%0.35517%0.171SC..  trans-157.3155.5179.7-62.7-177.7175.100110.3M223 S227 R438M223-E225 PolarHBondContact O-N 3.42Å; E225-S227 PolarHBondContact O-N 3.11Å; E225-S227 PolarHBondContact OE2-OG 3.46Å; E225-R438 IonicContact OE1-CZ 2.95Å; E225-R438 IonicContact OE1-NE 3.27Å; E225-R438 IonicContact OE1-NH1 2.72Å; E225-R438 PolarHBondContact OE1-NH1 3.23Å; E225-R438 IonicContact OE1-NH2 2.74Å; E225-R438 PolarHBondContact OE1-NH2 3.01Å
226D94.5Very high95.2Very high41 Ų4139.5 Ų39.522%0.21920%0.199CC..SBendtrans-76.562.9167.8-179.343.7000111.5I255 R256D226-I255 HydrophobicContact CB-CD1 4.2Å; D226-R256 PolarHBondContact O-NH2 3.1Å; D226-R256 PolarHBondContact OD1-N 3.04Å; D226-R256 IonicContact OD1-NE 3.68Å; D226-R256 PolarHBondContact OD1-NE 3.14Å; D226-R256 IonicContact OD1-NH2 3.89Å; D226-R256 IonicContact OD2-CZ 3.77Å; D226-R256 IonicContact OD2-NE 2.9Å; D226-R256 PolarHBondContact OD2-NE 3.43Å; D226-R256 IonicContact OD2-NH2 3.81Å; D226-R256 PolarHBondContact OD2-NH2 3.24Å
227S94.9Very high95.4Very high36 Ų3640.3 Ų40.325%0.25220%0.203SC..SBendtrans-147.6157.918076.70000110.6E225 N229 G230 I231E225-S227 PolarHBondContact O-N 3.11Å; E225-S227 PolarHBondContact OE2-OG 3.46Å; S227-N229 VanDerWaalsContact C-N 3.25Å; S227-N229 PolarHBondContact O-N 3.16Å; S227-G230 PolarHBondContact O-N 3.4Å; S227-G230 PolarHBondContact OG-N 3.07Å; S227-I231 WeakPolarHBondContact O-CB 3.3Å; S227-I231 WeakPolarHBondContact O-CD1 3.33Å; S227-I231 WeakPolarHBondContact O-CG1 3.42Å; S227-I231 PolarHBondContact O-N 3.27Å
228I94.4Very high96.1Very high118 Ų11840 Ų4061%0.60520%0.201SC*.Hα-helixtrans-59.5-39.4176.3-66.8-63.6000111.1I231 Y232I228-I231 PolarHBondContact O-N 2.76Å; I228-Y232 HydrophobicContact CG2-CD2 3.88Å; I228-Y232 HydrophobicContact CG2-CE2 4.1Å; I228-Y232 WeakPolarHBondContact O-CB 3.41Å; I228-Y232 VanDerWaalsContact O-CD2 3.3Å; I228-Y232 WeakPolarHBondContact O-CD2 3.48Å; I228-Y232 PolarHBondContact O-N 3.04Å
229N95.3Very high96.3Very high121 Ų12141.1 Ų41.165%0.64721%0.21SC*.Hα-helixtrans-63.2-50.2176.8-68.3-16000110.9S227 I231 Y232 D233S227-N229 VanDerWaalsContact C-N 3.25Å; S227-N229 PolarHBondContact O-N 3.16Å; N229-I231 VanDerWaalsContact C-N 3.31Å; N229-I231 PolarHBondContact O-N 3.17Å; N229-Y232 PolarHBondContact O-N 3.28Å; N229-D233 WeakPolarHBondContact O-CB 3.47Å; N229-D233 PolarHBondContact O-N 3.2Å
230G96.3Very high96.1Very high2 Ų244.4 Ų44.42%0.02123%0.227CC..Hα-helixtrans-58.4-41.3178.100000113.1S227 T234S227-G230 PolarHBondContact O-N 3.4Å; S227-G230 PolarHBondContact OG-N 3.07Å; G230-T234 WeakPolarHBondContact O-CB 3.43Å; G230-T234 PolarHBondContact O-N 3.12Å; G230-T234 PolarHBondContact O-OG1 3.36Å
231I97.6Very high95.9Very high24 Ų2444.4 Ų44.412%0.12323%0.227CC..Hα-helixtrans-63.6-49.2176.6-68.1164.8000111.2M223 S227 I228 N229 T234 L235 I255 M275 Y279M223-I231 HydrophobicContact SD-CB 4.37Å; M223-I231 HydrophobicContact SD-CG1 3.98Å; S227-I231 WeakPolarHBondContact O-CB 3.3Å; S227-I231 WeakPolarHBondContact O-CD1 3.33Å; S227-I231 WeakPolarHBondContact O-CG1 3.42Å; S227-I231 PolarHBondContact O-N 3.27Å; I228-I231 PolarHBondContact O-N 2.76Å; N229-I231 VanDerWaalsContact C-N 3.31Å; N229-I231 PolarHBondContact O-N 3.17Å; I231-T234 PolarHBondContact O-N 3.42Å; I231-L235 WeakPolarHBondContact O-CB 3.45Å; I231-L235 PolarHBondContact O-N 2.88Å; I231-I255 HydrophobicContact CD1-CD1 4.06Å; I231-I255 HydrophobicContact CG1-CD1 3.87Å; I231-M275 HydrophobicContact CD1-SD 4.07Å; I231-M275 HydrophobicContact CG1-SD 4.04Å; I231-M275 HydrophobicContact CG2-CG 3.88Å; I231-M275 HydrophobicContact CG2-SD 4.09Å; I231-Y279 HydrophobicContact CG2-CE2 4.27Å; I231-Y279 PolarHBondContact O-OH 2.84Å
232Y97.9Very high95.5Very high125 Ų12544.4 Ų44.449%0.4923%0.227SC..Hα-helixtrans-76.1-29.3-176.2-83.7-102.1000113.3I228 N229 L235 K236I228-Y232 HydrophobicContact CG2-CD2 3.88Å; I228-Y232 HydrophobicContact CG2-CE2 4.1Å; I228-Y232 WeakPolarHBondContact O-CB 3.41Å; I228-Y232 VanDerWaalsContact O-CD2 3.3Å; I228-Y232 WeakPolarHBondContact O-CD2 3.48Å; I228-Y232 PolarHBondContact O-N 3.04Å; N229-Y232 PolarHBondContact O-N 3.28Å; Y232-L235 HydrophobicContact CD1-CD2 4.3Å; Y232-L235 HydrophobicContact CE1-CD2 4.48Å; Y232-L235 PolarHBondContact O-N 3.45Å; Y232-K236 WeakPolarHBondContact O-CB 3.34Å; Y232-K236 PolarHBondContact O-N 3.36Å
233D97.6Very high95Very high87 Ų8751.2 Ų51.247%0.46526%0.256SS..Hα-helixtrans-65.5-45.3170.8-75.9-27.2000110.6N229 L235 K236 Q237N229-D233 WeakPolarHBondContact O-CB 3.47Å; N229-D233 PolarHBondContact O-N 3.2Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 PolarHBondContact O-N 3.01Å; D233-K236 WeakPolarHBondContact O-CB 3.31Å; D233-K236 PolarHBondContact O-N 3.05Å; D233-Q237 WeakPolarHBondContact O-CG 3.35Å; D233-Q237 PolarHBondContact O-N 3.42Å
234T98.2Very high94.4Very high0 Ų052.4 Ų52.40%027%0.265CS..Hα-helixtrans-62.5-40.5174.5-52.60000110.9L221 M223 S224 G230 I231 K236 Q237 C238 L250 Y279L221-T234 HydrophobicContact CD2-CG2 4.3Å; M223-T234 HydrophobicContact SD-CG2 4.07Å; S224-T234 PolarHBondContact N-OG1 3.22Å; S224-T234 VanDerWaalsContact N-OG1 3.16Å; S224-T234 PolarHBondContact OG-OG1 3.48Å; S224-T234 VanDerWaalsContact OG-OG1 3.07Å; G230-T234 WeakPolarHBondContact O-CB 3.43Å; G230-T234 PolarHBondContact O-N 3.12Å; G230-T234 PolarHBondContact O-OG1 3.36Å; I231-T234 PolarHBondContact O-N 3.42Å; T234-K236 PolarHBondContact O-N 2.77Å; T234-Q237 PolarHBondContact O-N 2.78Å; T234-C238 PolarHBondContact O-N 3.2Å; T234-C238 PolarHBondContact O-SG 3.12Å; T234-C238 VanDerWaalsContact O-SG 3.35Å; T234-L250 HydrophobicContact CG2-CD1 3.64Å; T234-Y279 WeakPolarHBondContact CB-OH 3.38Å
235L97.9Very high93.9Very high18 Ų1852.4 Ų52.49%0.09427%0.266CS..Hα-helixtrans-61.5-42.7175.2-174.870000112.2I231 Y232 D233 C238 A239 V278 Y279 T282I231-L235 WeakPolarHBondContact O-CB 3.45Å; I231-L235 PolarHBondContact O-N 2.88Å; Y232-L235 HydrophobicContact CD1-CD2 4.3Å; Y232-L235 HydrophobicContact CE1-CD2 4.48Å; Y232-L235 PolarHBondContact O-N 3.45Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-L235 PolarHBondContact O-N 3.01Å; L235-C238 PolarHBondContact O-N 2.94Å; L235-A239 PolarHBondContact O-N 3.24Å; L235-V278 HydrophobicContact CD1-CG1 4.44Å; L235-V278 HydrophobicContact CD2-CG1 3.55Å; L235-Y279 HydrophobicContact CB-CE1 4.22Å; L235-Y279 HydrophobicContact CB-CE2 4.47Å; L235-Y279 HydrophobicContact CD1-CD1 3.56Å; L235-Y279 HydrophobicContact CD1-CD2 3.95Å; L235-Y279 HydrophobicContact CD1-CE1 3.66Å; L235-Y279 HydrophobicContact CD1-CE2 4.04Å; L235-Y279 HydrophobicContact CD1-CG 3.72Å; L235-Y279 PolarHBondContact N-OH 2.88Å; L235-T282 HydrophobicContact CD1-CG2 4.06Å
236K97.6Very high93.6Very high135 Ų13548.8 Ų48.859%0.58725%0.25SC*.Hα-helixtrans-61.5-45.1175.2175.2-173171.8-168.90111Y232 D233 T234 C238 A239 L240Y232-K236 WeakPolarHBondContact O-CB 3.34Å; Y232-K236 PolarHBondContact O-N 3.36Å; D233-K236 WeakPolarHBondContact O-CB 3.31Å; D233-K236 PolarHBondContact O-N 3.05Å; T234-K236 PolarHBondContact O-N 2.77Å; K236-C238 VanDerWaalsContact C-N 3.34Å; K236-C238 PolarHBondContact O-N 3.42Å; K236-A239 PolarHBondContact O-N 3.05Å; K236-L240 HydrophobicContact CG-CD1 4.32Å; K236-L240 WeakPolarHBondContact O-CG 3.33Å; K236-L240 PolarHBondContact O-N 2.96Å
237Q97.3Very high93.5Very high17 Ų1747 Ų478%0.07924%0.24CC..Hα-helixtrans-58.2-47.5174.6-71.5171-19.900110.7L221 D233 T234 A239 L240 I241 V488 E490L221-Q237 HydrophobicContact CD2-CB 3.86Å; D233-Q237 WeakPolarHBondContact O-CG 3.35Å; D233-Q237 PolarHBondContact O-N 3.42Å; T234-Q237 PolarHBondContact O-N 2.78Å; Q237-A239 VanDerWaalsContact C-N 3.33Å; Q237-A239 PolarHBondContact O-N 3.42Å; Q237-L240 PolarHBondContact O-N 2.95Å; Q237-I241 WeakPolarHBondContact O-CG1 3.34Å; Q237-I241 PolarHBondContact O-N 3.31Å; Q237-V488 HydrophobicContact CB-CG1 4.27Å; Q237-V488 HydrophobicContact CG-CG1 4.23Å; Q237-E490 PolarHBondContact NE2-OE1 3.14Å
238C96.3Very high93.5Very high0 Ų045.2 Ų45.20%023%0.228CC..Hα-helixtrans-58.1-42.7176.4-71.40000112.8T234 L235 K236 I241 S242 I248 Y279 F297T234-C238 PolarHBondContact O-N 3.2Å; T234-C238 PolarHBondContact O-SG 3.12Å; T234-C238 VanDerWaalsContact O-SG 3.35Å; L235-C238 PolarHBondContact O-N 2.94Å; K236-C238 VanDerWaalsContact C-N 3.34Å; K236-C238 PolarHBondContact O-N 3.42Å; C238-I241 PolarHBondContact O-N 2.96Å; C238-S242 WeakPolarHBondContact O-CB 2.95Å; C238-S242 PolarHBondContact O-N 3.34Å; C238-I248 HydrophobicContact CB-CD1 3.66Å; C238-I248 WeakPolarHBondContact O-CD1 3.21Å; C238-Y279 HydrophobicContact CB-CE1 4.47Å; C238-F297 HydrophobicContact CB-CE2 4.34Å; C238-F297 HydrophobicContact CB-CZ 4.22Å
239A94.1Very high93.7Very high27 Ų2739.6 Ų39.622%0.22320%0.199CC..Hα-helixtrans-64.1-41.6177.400000112.3L235 K236 Q237 K243 T282 V286L235-A239 PolarHBondContact O-N 3.24Å; K236-A239 PolarHBondContact O-N 3.05Å; Q237-A239 VanDerWaalsContact C-N 3.33Å; Q237-A239 PolarHBondContact O-N 3.42Å; A239-K243 WeakPolarHBondContact O-CB 3.27Å; A239-K243 PolarHBondContact O-N 3.23Å; A239-T282 HydrophobicContact CB-CG2 4.03Å; A239-V286 HydrophobicContact CB-CG2 4.27Å
240L94.1Very high93.9Very high69 Ų6933.9 Ų33.936%0.36117%0.169SC..Hα-helixtrans-66.6-42.2177.8-69.5174.1000112.2K236 Q237 S244 V488K236-L240 HydrophobicContact CG-CD1 4.32Å; K236-L240 WeakPolarHBondContact O-CG 3.33Å; K236-L240 PolarHBondContact O-N 2.96Å; Q237-L240 PolarHBondContact O-N 2.95Å; L240-S244 PolarHBondContact O-N 3.1Å; L240-V488 HydrophobicContact CB-CG1 4.05Å; L240-V488 HydrophobicContact CD1-CG1 4.08Å
241I93.1Very high94Very high0 Ų034.1 Ų34.10%017%0.17CC..Hα-helixtrans-63.9-48175.6-70.7163.9000110.6F219 L221 Q237 C238 K243 S244 A245 G246 I248 V441 P487 V488F219-I241 HydrophobicContact CB-CD1 4.02Å; F219-I241 HydrophobicContact CB-CG2 3.99Å; F219-I241 HydrophobicContact CD1-CD1 4.19Å; F219-I241 HydrophobicContact CD1-CG1 4.31Å; F219-I241 HydrophobicContact CD1-CG2 4.44Å; F219-I241 HydrophobicContact CD2-CB 4.48Å; F219-I241 HydrophobicContact CD2-CG2 3.25Å; F219-I241 HydrophobicContact CE2-CG2 3.76Å; F219-I241 HydrophobicContact CG-CD1 4.09Å; F219-I241 HydrophobicContact CG-CG1 4.25Å; F219-I241 HydrophobicContact CG-CG2 3.64Å; L221-I241 HydrophobicContact CD1-CD1 3.9Å; L221-I241 HydrophobicContact CD2-CD1 4.18Å; Q237-I241 WeakPolarHBondContact O-CG1 3.34Å; Q237-I241 PolarHBondContact O-N 3.31Å; C238-I241 PolarHBondContact O-N 2.96Å; I241-K243 VanDerWaalsContact C-N 3.34Å; I241-K243 PolarHBondContact O-N 3.44Å; I241-S244 CarbonylContact O-C 3.59Å; I241-S244 WeakPolarHBondContact O-CA 3.37Å; I241-S244 PolarHBondContact O-N 2.82Å; I241-A245 PolarHBondContact O-N 3.2Å; I241-G246 PolarHBondContact O-N 3.41Å; I241-I248 HydrophobicContact CB-CD1 4.03Å; I241-I248 HydrophobicContact CG2-CD1 3.85Å; I241-I248 HydrophobicContact CG2-CG1 3.82Å; I241-V441 HydrophobicContact CD1-CG1 4.1Å; I241-P487 HydrophobicContact CB-CG 4.46Å; I241-P487 HydrophobicContact CG1-CB 4.41Å; I241-P487 HydrophobicContact CG1-CG 3.78Å; I241-V488 HydrophobicContact CD1-CG2 4.2Å; I241-V488 HydrophobicContact CG1-CG1 4.38Å; I241-V488 HydrophobicContact CG1-CG2 4.34Å
242S90.1Very high94Very high0 Ų033 Ų330%016%0.164CC..Hα-helixtrans-62.7-40.8-178.9-161.60000111.6C238 S244 A245 V286 Q288C238-S242 WeakPolarHBondContact O-CB 2.95Å; C238-S242 PolarHBondContact O-N 3.34Å; S242-S244 PolarHBondContact O-N 2.83Å; S242-S244 VanDerWaalsContact O-N 3.12Å; S242-A245 WeakPolarHBondContact O-CA 3.18Å; S242-A245 PolarHBondContact O-N 3.15Å; S242-V286 PolarHBondContact OG-O 2.95Å; S242-Q288 WeakPolarHBondContact O-CG 3.33Å
243K87Confident94Very high148 Ų14827.4 Ų27.464%0.64314%0.144SC*.Hα-helixtrans-53.4-34.4173.7176.2-175.2174.2-177.60112.5A239 I241 A245 V286A239-K243 WeakPolarHBondContact O-CB 3.27Å; A239-K243 PolarHBondContact O-N 3.23Å; I241-K243 VanDerWaalsContact C-N 3.34Å; I241-K243 PolarHBondContact O-N 3.44Å; K243-A245 VanDerWaalsContact C-N 3.29Å; K243-V286 HydrophobicContact CB-CG1 3.83Å
244S84.1Confident94Very high33 Ų3324.6 Ų24.623%0.23113%0.131CC..THydrogen-bonded Turntrans-91.419.8178.3-69.20000113.7Q214 L240 I241 S242 G246Q214-S244 PolarHBondContact OE1-O 3Å; Q214-S244 VanDerWaalsContact OE1-O 3.11Å; L240-S244 PolarHBondContact O-N 3.1Å; I241-S244 CarbonylContact O-C 3.59Å; I241-S244 WeakPolarHBondContact O-CA 3.37Å; I241-S244 PolarHBondContact O-N 2.82Å; S242-S244 PolarHBondContact O-N 2.83Å; S242-S244 VanDerWaalsContact O-N 3.12Å; S244-G246 VanDerWaalsContact C-N 3.3Å; S244-G246 PolarHBondContact O-N 3.02Å
245A81.6Confident94Very high24 Ų2424.9 Ų24.920%0.19813%0.132CC..THydrogen-bonded Turntrans67.417.4176.500000117.4I241 S242 K243 Q288 R293I241-A245 PolarHBondContact O-N 3.2Å; S242-A245 WeakPolarHBondContact O-CA 3.18Å; S242-A245 PolarHBondContact O-N 3.15Å; K243-A245 VanDerWaalsContact C-N 3.29Å; A245-Q288 VanDerWaalsContact CA-OE1 3.25Å; A245-Q288 HydrophobicContact CB-CB 4.47Å; A245-Q288 HydrophobicContact CB-CG 4.49Å; A245-R293 PolarHBondContact O-NH1 2.95Å
246G85.7Confident94Very high0 Ų026.2 Ų26.20%014%0.136CC..  trans-78.4134.2174.700000112.9I241 S244I241-G246 PolarHBondContact O-N 3.41Å; S244-G246 VanDerWaalsContact C-N 3.3Å; S244-G246 PolarHBondContact O-N 3.02Å
247G91.7Very high94Very high2 Ų219.8 Ų19.82%0.02111%0.108CC..EExtended strand (participates in β ladder)trans-79.3149.1166.400000111.1S217 C218 F219S217-G247 PolarHBondContact O-N 2.67Å; S217-G247 VanDerWaalsContact O-N 3.13Å; C218-G247 CarbonylContact C-O 3.33Å; C218-G247 WeakPolarHBondContact CA-O 3.48Å; F219-G247 PolarHBondContact N-O 2.82Å
248I96.1Very high93.9Very high0 Ų022.5 Ų22.50%013%0.125CC..EExtended strand (participates in β ladder)trans-123133.9-171.6-57.8-173.4000111.8F219 L221 C238 I241 L250 A296 F297 S298F219-I248 CarbonylContact O-C 3.6Å; F219-I248 WeakPolarHBondContact O-CA 3.43Å; L221-I248 HydrophobicContact CD1-CG2 3.52Å; C238-I248 HydrophobicContact CB-CD1 3.66Å; C238-I248 WeakPolarHBondContact O-CD1 3.21Å; I241-I248 HydrophobicContact CB-CD1 4.03Å; I241-I248 HydrophobicContact CG2-CD1 3.85Å; I241-I248 HydrophobicContact CG2-CG1 3.82Å; I248-L250 HydrophobicContact CG2-CB 4.33Å; I248-A296 PolarHBondContact N-O 2.75Å; I248-A296 VanDerWaalsContact N-O 3.14Å; I248-F297 HydrophobicContact CB-CB 4.33Å; I248-F297 HydrophobicContact CB-CD1 3.65Å; I248-F297 HydrophobicContact CB-CE1 4.36Å; I248-F297 HydrophobicContact CB-CG 4.23Å; I248-F297 HydrophobicContact CD1-CD1 3.66Å; I248-F297 HydrophobicContact CD1-CE1 3.46Å; I248-F297 VanDerWaalsContact CD1-CE1 3.46Å; I248-F297 HydrophobicContact CD1-CZ 4.16Å; I248-F297 HydrophobicContact CG1-CD1 3.79Å; I248-F297 HydrophobicContact CG1-CE1 3.99Å; I248-F297 HydrophobicContact CG2-CD1 4.48Å; I248-F297 CarbonylContact O-C 3.52Å; I248-F297 WeakPolarHBondContact O-CA 3.34Å; I248-S298 PolarHBondContact O-N 2.95Å
249G98.3Very high93.8Very high0 Ų024.5 Ų24.50%015%0.147CC..EExtended strand (participates in β ladder)trans-102.6131.7155.600000109.9F219 L220 L221 S298 S426F219-G249 PolarHBondContact O-N 2.74Å; L220-G249 CarbonylContact C-O 3.32Å; L220-G249 WeakPolarHBondContact CA-O 3.39Å; L221-G249 PolarHBondContact N-O 2.72Å; G249-S298 CarbonylContact C-O 3.38Å; G249-S298 WeakPolarHBondContact CA-O 3.49Å; G249-S426 WeakPolarHBondContact CA-O 3.47Å
250L98.6Very high93.8Very high1 Ų123.2 Ų23.21%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-129.2112.9-176.1178.565.6000111L221 M223 T234 I248 V252 Y279 S298 V299 Y300L221-L250 HydrophobicContact CB-CD1 3.84Å; L221-L250 CarbonylContact O-C 3.41Å; L221-L250 WeakPolarHBondContact O-CA 3.49Å; M223-L250 HydrophobicContact CE-CD2 4.47Å; T234-L250 HydrophobicContact CG2-CD1 3.64Å; I248-L250 HydrophobicContact CG2-CB 4.33Å; L250-V252 HydrophobicContact CD2-CG1 3.9Å; L250-V252 HydrophobicContact CG-CG1 3.76Å; L250-Y279 HydrophobicContact CD2-CD1 3.75Å; L250-Y279 HydrophobicContact CD2-CE1 3.48Å; L250-Y279 VanDerWaalsContact CD2-CE1 3.48Å; L250-Y279 HydrophobicContact CD2-CG 4.45Å; L250-S298 PolarHBondContact N-O 3.3Å; L250-V299 WeakPolarHBondContact O-CA 3.37Å; L250-Y300 PolarHBondContact O-N 3.27Å
251A98.6Very high93.7Very high6 Ų626.3 Ų26.35%0.0514%0.144CC..EExtended strand (participates in β ladder)trans-79.4124.1172.700000110.7L221 M223 K424L221-A251 PolarHBondContact O-N 3.49Å; M223-A251 WeakPolarHBondContact CB-O 3.49Å; M223-A251 PolarHBondContact N-O 3.39Å; A251-K424 HydrophobicContact CB-CB 3.92Å
252V98.6Very high93.5Very high0 Ų028.6 Ų28.60%016%0.156CC..  trans-122.42.9-175.9-58.90000114.6M223 L250 C254 I255 L272 M275 L276 V299 Y300 L301M223-V252 HydrophobicContact CE-CG1 4.08Å; L250-V252 HydrophobicContact CD2-CG1 3.9Å; L250-V252 HydrophobicContact CG-CG1 3.76Å; V252-C254 PolarHBondContact O-N 3.23Å; V252-I255 PolarHBondContact O-N 2.99Å; V252-I255 VanDerWaalsContact O-N 3.09Å; V252-L272 HydrophobicContact CB-CD2 4.3Å; V252-L272 HydrophobicContact CG2-CD1 4.41Å; V252-L272 HydrophobicContact CG2-CD2 4.22Å; V252-M275 HydrophobicContact CB-CE 4.22Å; V252-M275 HydrophobicContact CG1-CE 3.97Å; V252-L276 HydrophobicContact CG1-CD2 4.43Å; V252-V299 HydrophobicContact CB-CG1 4.31Å; V252-V299 HydrophobicContact CG1-CG1 3.8Å; V252-V299 HydrophobicContact CG2-CG1 3.48Å; V252-V299 VanDerWaalsContact CG2-CG1 3.48Å; V252-Y300 WeakPolarHBondContact CG2-O 3.27Å; V252-Y300 PolarHBondContact N-O 2.97Å; V252-Y300 VanDerWaalsContact N-O 3.1Å; V252-L301 HydrophobicContact CG2-CD1 4.04Å
253S98.4Very high93Very high9 Ų932.5 Ų32.56%0.06319%0.187CC..THydrogen-bonded Turntrans-59.4-18.8-176.4-84.50000115.8I255 E302 W304 P353S253-I255 VanDerWaalsContact C-N 3.34Å; S253-E302 PolarHBondContact OG-N 3.26Å; S253-W304 WeakPolarHBondContact O-CH2 3.49Å; S253-P353 WeakPolarHBondContact O-CB 3.5Å; S253-P353 WeakPolarHBondContact O-CG 3.49Å
254C97.5Very high92.7Very high28 Ų2829.4 Ų29.419%0.18920%0.198CC..THydrogen-bonded Turntrans-80-12.5178.371.70000113.6V252 P353V252-C254 PolarHBondContact O-N 3.23Å; C254-P353 WeakPolarHBondContact O-CG 3.38Å
255I98.1Very high92.6Very high5 Ų532.9 Ų32.93%0.02622%0.218CC..SBendtrans-78.6133.5-177.4-64.5-56.5000110.9M223 D226 I231 V252 S253 L272 M275 H305 P353M223-I255 HydrophobicContact CE-CG1 4.3Å; M223-I255 HydrophobicContact CG-CD1 3.47Å; M223-I255 VanDerWaalsContact CG-CD1 3.47Å; M223-I255 HydrophobicContact CG-CG1 3.77Å; M223-I255 HydrophobicContact SD-CD1 4.27Å; D226-I255 HydrophobicContact CB-CD1 4.2Å; I231-I255 HydrophobicContact CD1-CD1 4.06Å; I231-I255 HydrophobicContact CG1-CD1 3.87Å; V252-I255 PolarHBondContact O-N 2.99Å; V252-I255 VanDerWaalsContact O-N 3.09Å; S253-I255 VanDerWaalsContact C-N 3.34Å; I255-L272 HydrophobicContact CB-CD2 3.75Å; I255-L272 HydrophobicContact CG2-CD2 3.79Å; I255-M275 HydrophobicContact CG1-CE 4.43Å; I255-M275 HydrophobicContact CG1-SD 4Å; I255-M275 HydrophobicContact CG2-SD 4.17Å; I255-H305 PolarHBondContact O-NE2 3.36Å; I255-P353 VanDerWaalsContact C-CG 3.48Å; I255-P353 WeakPolarHBondContact O-CG 3.47Å
256R97.2Very high92.9Very high47 Ų4737.6 Ų37.618%0.17724%0.24CC..PPolyproline II helixtrans-60.3139.2-178.373.1-170.369.5177.84.5112.9D226 Y261 S269D226-R256 PolarHBondContact O-NH2 3.1Å; D226-R256 PolarHBondContact OD1-N 3.04Å; D226-R256 IonicContact OD1-NE 3.68Å; D226-R256 PolarHBondContact OD1-NE 3.14Å; D226-R256 IonicContact OD1-NH2 3.89Å; D226-R256 IonicContact OD2-CZ 3.77Å; D226-R256 IonicContact OD2-NE 2.9Å; D226-R256 PolarHBondContact OD2-NE 3.43Å; D226-R256 IonicContact OD2-NH2 3.81Å; D226-R256 PolarHBondContact OD2-NH2 3.24Å; R256-Y261 PolarHBondContact NH1-O 3.43Å; R256-S269 WeakPolarHBondContact CG-OG 3.44Å
257A97.6Very high93.1Very high0 Ų038.8 Ų38.80%025%0.252CS..PPolyproline II helixtrans-73.2166.9179.900000113.7S260 A306 D307 C352A257-S260 VanDerWaalsContact O-CB 3.23Å; A257-S260 WeakPolarHBondContact O-CB 3.47Å; A257-S260 PolarHBondContact O-N 3.43Å; A257-S260 PolarHBondContact O-OG 3.47Å; A257-A306 HydrophobicContact CB-CB 3.64Å; A257-D307 WeakPolarHBondContact CA-OD2 3.38Å; A257-C352 HydrophobicContact CB-CB 4.18Å; A257-C352 PolarHBondContact N-SG 2.9Å
258T96.4Very high93.1Very high73 Ų7344.3 Ų44.345%0.44828%0.28SS..THydrogen-bonded Turntrans-53.2139.4173.7-48.90000111.2S260 S269 N270 G271 D307T258-S260 VanDerWaalsContact C-N 3.28Å; T258-S260 PolarHBondContact O-N 2.88Å; T258-S269 WeakPolarHBondContact CA-O 3.31Å; T258-N270 PolarHBondContact OG1-O 3Å; T258-G271 WeakPolarHBondContact OG1-CA 3.38Å; T258-D307 VanDerWaalsContact CB-OD1 3.27Å; T258-D307 WeakPolarHBondContact CB-OD1 3.21Å; T258-D307 PolarHBondContact N-OD1 3.05Å; T258-D307 PolarHBondContact N-OD2 3.21Å; T258-D307 PolarHBondContact OG1-OD1 3.41Å; T258-D307 PolarHBondContact OG1-OD2 3.37Å
259G93.4Very high93.1Very high43 Ų4345.1 Ų45.144%0.44329%0.285SS..THydrogen-bonded Turntrans84.7-2.7178.800000114.6I268 S269G259-I268 VanDerWaalsContact C-CG2 3.47Å; G259-S269 PolarHBondContact N-O 3.44Å
260S94.3Very high92.9Very high0 Ų050.8 Ų50.80%032%0.316CS..  trans-82.3145-179.2-52.80000112.2A257 T258 S269 C352A257-S260 VanDerWaalsContact O-CB 3.23Å; A257-S260 WeakPolarHBondContact O-CB 3.47Å; A257-S260 PolarHBondContact O-N 3.43Å; A257-S260 PolarHBondContact O-OG 3.47Å; T258-S260 VanDerWaalsContact C-N 3.28Å; T258-S260 PolarHBondContact O-N 2.88Å; S260-S269 PolarHBondContact O-N 3.19Å; S260-C352 PolarHBondContact OG-SG 3.44Å
261Y91.8Very high92.8Very high134 Ų13451.1 Ų51.153%0.52532%0.319SS..EExtended strand (participates in β ladder)trans-66.2143.5-177.8-175.6-112.1000112.5R256 A263 N266R256-Y261 PolarHBondContact NH1-O 3.43Å; Y261-A263 HydrophobicContact CD1-CB 4.44Å; Y261-A263 HydrophobicContact CE1-CB 4.05Å; Y261-N266 WeakPolarHBondContact CE2-OD1 3.18Å; Y261-N266 PolarHBondContact OH-OD1 2.92Å
262I89.4Confident92.7Very high48 Ų4850.9 Ų50.925%0.24632%0.317CS..EExtended strand (participates in β ladder)trans-113101171.3-52.2176.4000109.3G264 T265 N266 G267I262-G264 PolarHBondContact O-N 3.42Å; I262-T265 VanDerWaalsContact CG2-OG1 3.26Å; I262-T265 WeakPolarHBondContact CG2-OG1 3.41Å; I262-N266 PolarHBondContact O-N 3.2Å; I262-G267 PolarHBondContact N-O 3.19Å
263A78.8Confident92.7Very high81 Ų8151.8 Ų51.867%0.66932%0.323SS*.THydrogen-bonded Turntrans-60.3130.7169.800000110Y261Y261-A263 HydrophobicContact CD1-CB 4.44Å; Y261-A263 HydrophobicContact CE1-CB 4.05Å
264G80.3Confident92.6Very high84 Ų8454.2 Ų54.287%0.86634%0.339SS*.THydrogen-bonded Turntrans107.1-52.9-178.500000113.8I262I262-G264 PolarHBondContact O-N 3.42Å
265T81.9Confident92.7Very high105 Ų10553.9 Ų53.964%0.64433%0.334SS*.THydrogen-bonded Turntrans-91.8-8.9178.459.30000113.5I262 G267I262-T265 VanDerWaalsContact CG2-OG1 3.26Å; I262-T265 WeakPolarHBondContact CG2-OG1 3.41Å; T265-G267 PolarHBondContact O-N 3.44Å
266N87.4Confident92.7Very high124 Ų12453.6 Ų53.666%0.66333%0.333SS*.THydrogen-bonded Turntrans54.529-173.8-160.242.8000113Y261 I262Y261-N266 WeakPolarHBondContact CE2-OD1 3.18Å; Y261-N266 PolarHBondContact OH-OD1 2.92Å; I262-N266 PolarHBondContact O-N 3.2Å
267G90.1Very high92.7Very high25 Ų2555.6 Ų55.626%0.25834%0.341SS..EExtended strand (participates in β ladder)trans-103.9-178.8-179.600000113.1I262 T265I262-G267 PolarHBondContact N-O 3.19Å; T265-G267 PolarHBondContact O-N 3.44Å
268I92.9Very high92.7Very high117 Ų11758.1 Ų58.160%0.636%0.356SS*.EExtended strand (participates in β ladder)trans-115.1136.2176.8-61.5178.3000108.4G259G259-I268 VanDerWaalsContact C-CG2 3.47Å
269S94.6Very high92.7Very high17 Ų1754.7 Ų54.712%0.11934%0.335CS..  trans-65.9140.4176.9-176.10000111.9R256 T258 G259 S260 G271R256-S269 WeakPolarHBondContact CG-OG 3.44Å; T258-S269 WeakPolarHBondContact CA-O 3.31Å; G259-S269 PolarHBondContact N-O 3.44Å; S260-S269 PolarHBondContact O-N 3.19Å; S269-G271 VanDerWaalsContact C-N 3.28Å; S269-G271 PolarHBondContact OG-N 3.15Å; S269-G271 VanDerWaalsContact OG-N 3.08Å
270N94.2Very high92.8Very high119 Ų11953.1 Ų53.164%0.63632%0.316SS*.  trans-88.13.6171.9-57.2-48.8000113T258 P274T258-N270 PolarHBondContact OG1-O 3Å; N270-P274 HydrophobicContact CB-CG 3.79Å; N270-P274 WeakPolarHBondContact O-CD 3.35Å
271G96.7Very high92.9Very high8 Ų857.1 Ų57.18%0.08234%0.337CS..  trans71.7-162.317500000115.2T258 S269 D307T258-G271 WeakPolarHBondContact OG1-CA 3.38Å; S269-G271 VanDerWaalsContact C-N 3.28Å; S269-G271 PolarHBondContact OG-N 3.15Å; S269-G271 VanDerWaalsContact OG-N 3.08Å; G271-D307 VanDerWaalsContact CA-OD2 3.23Å; G271-D307 WeakPolarHBondContact CA-OD2 3.47Å
272L98Very high93Very high1 Ų151.8 Ų51.81%0.00532%0.319CS..Hα-helixtrans-69.7-36.9-173-69.4178.8000113.7V252 I255 M275 L276 L301 H305 D307V252-L272 HydrophobicContact CB-CD2 4.3Å; V252-L272 HydrophobicContact CG2-CD1 4.41Å; V252-L272 HydrophobicContact CG2-CD2 4.22Å; I255-L272 HydrophobicContact CB-CD2 3.75Å; I255-L272 HydrophobicContact CG2-CD2 3.79Å; L272-M275 HydrophobicContact CD2-CE 4Å; L272-M275 WeakPolarHBondContact O-CB 3.24Å; L272-M275 PolarHBondContact O-N 3.13Å; L272-L276 HydrophobicContact CB-CD1 4.26Å; L272-L276 WeakPolarHBondContact O-CG 3.29Å; L272-L276 PolarHBondContact O-N 3.37Å; L272-L301 HydrophobicContact CD1-CD1 3.51Å; L272-L301 HydrophobicContact CD1-CD2 3.94Å; L272-L301 HydrophobicContact CD1-CG 4.4Å; L272-H305 VanDerWaalsContact CD1-CE1 3.44Å; L272-H305 WeakPolarHBondContact CD1-CE1 3.36Å; L272-D307 HydrophobicContact CB-CB 4.35Å; L272-D307 HydrophobicContact CD1-CB 4.16Å; L272-D307 HydrophobicContact CG-CB 4.32Å; L272-D307 PolarHBondContact N-OD2 3.38Å
273V97.6Very high93.1Very high20 Ų2049.7 Ų49.712%0.12131%0.308CS..Hα-helixtrans-57.6-51.3-169.2171.60000112.5M275 L276 R277 E310 L314 Q323V273-M275 PolarHBondContact O-N 3.39Å; V273-L276 PolarHBondContact O-N 3.38Å; V273-R277 PolarHBondContact O-N 3.5Å; V273-R277 VanDerWaalsContact O-N 3.15Å; V273-E310 HydrophobicContact CG2-CB 3.83Å; V273-L314 HydrophobicContact CB-CD2 4.47Å; V273-L314 HydrophobicContact CG1-CD2 4Å; V273-L314 HydrophobicContact CG2-CD2 4.15Å; V273-Q323 HydrophobicContact CG1-CB 4.44Å
274P97.3Very high93.5Very high60 Ų6053.4 Ų53.439%0.3931%0.305SS..Hα-helixtrans-65.8-36.3178.6-23.437.4000113.2N270 R277 V278N270-P274 HydrophobicContact CB-CG 3.79Å; N270-P274 WeakPolarHBondContact O-CD 3.35Å; P274-R277 PolarHBondContact O-N 3.39Å; P274-V278 PolarHBondContact O-N 2.75Å
275M97.8Very high93.9Very high20 Ų2058.8 Ų58.810%0.09930%0.301CS..Hα-helixtrans-60.4-50.3175.5-176.6-164.578.100110.3M223 I231 V252 I255 L272 V273 R277 V278 Y279M223-M275 HydrophobicContact CE-CE 3.86Å; M223-M275 HydrophobicContact CE-SD 3.83Å; I231-M275 HydrophobicContact CD1-SD 4.07Å; I231-M275 HydrophobicContact CG1-SD 4.04Å; I231-M275 HydrophobicContact CG2-CG 3.88Å; I231-M275 HydrophobicContact CG2-SD 4.09Å; V252-M275 HydrophobicContact CB-CE 4.22Å; V252-M275 HydrophobicContact CG1-CE 3.97Å; I255-M275 HydrophobicContact CG1-CE 4.43Å; I255-M275 HydrophobicContact CG1-SD 4Å; I255-M275 HydrophobicContact CG2-SD 4.17Å; L272-M275 HydrophobicContact CD2-CE 4Å; L272-M275 WeakPolarHBondContact O-CB 3.24Å; L272-M275 PolarHBondContact O-N 3.13Å; V273-M275 PolarHBondContact O-N 3.39Å; M275-R277 PolarHBondContact O-N 3.38Å; M275-V278 WeakPolarHBondContact O-CB 3.39Å; M275-V278 PolarHBondContact O-N 3.48Å; M275-Y279 HydrophobicContact CG-CD2 4.3Å; M275-Y279 HydrophobicContact CG-CE2 4.05Å; M275-Y279 WeakPolarHBondContact O-CD2 3.33Å; M275-Y279 PolarHBondContact O-N 2.63Å; M275-Y279 HydrophobicContact SD-CE2 4.46Å
276L98.2Very high94Very high0 Ų055 Ų550%028%0.277CS..Hα-helixtrans-64.6-26.1-178.3-66.9178.7000112.6V252 L272 V273 V278 Y279 N280 V299 F311 L314 L328 F330V252-L276 HydrophobicContact CG1-CD2 4.43Å; L272-L276 HydrophobicContact CB-CD1 4.26Å; L272-L276 WeakPolarHBondContact O-CG 3.29Å; L272-L276 PolarHBondContact O-N 3.37Å; V273-L276 PolarHBondContact O-N 3.38Å; L276-V278 VanDerWaalsContact C-N 3.32Å; L276-V278 PolarHBondContact O-N 2.93Å; L276-Y279 PolarHBondContact O-N 2.76Å; L276-N280 WeakPolarHBondContact O-CB 3.17Å; L276-N280 PolarHBondContact O-N 3.05Å; L276-V299 HydrophobicContact CD1-CG1 4.24Å; L276-V299 HydrophobicContact CD2-CG1 3.78Å; L276-V299 HydrophobicContact CD2-CG2 4.02Å; L276-F311 HydrophobicContact CD1-CD2 4.02Å; L276-F311 HydrophobicContact CD1-CE2 4.23Å; L276-L314 HydrophobicContact CB-CD1 4.49Å; L276-L314 HydrophobicContact CD1-CD1 3.59Å; L276-L328 HydrophobicContact CB-CD1 4.17Å; L276-L328 WeakPolarHBondContact O-CD1 3.45Å; L276-F330 HydrophobicContact CD1-CE1 4.42Å
277R97.4Very high93.2Very high89 Ų8951.3 Ų51.334%0.33626%0.258SS..Hα-helixtrans-65.7-32.8170.6-72.5-174.667.4-147.6-1113.4V273 P274 M275 N280 N281 E322V273-R277 PolarHBondContact O-N 3.5Å; V273-R277 VanDerWaalsContact O-N 3.15Å; P274-R277 PolarHBondContact O-N 3.39Å; M275-R277 PolarHBondContact O-N 3.38Å; R277-N280 WeakPolarHBondContact O-CB 3.29Å; R277-N280 PolarHBondContact O-N 3.4Å; R277-N281 VanDerWaalsContact O-CG 3.27Å; R277-N281 PolarHBondContact O-N 3.22Å; R277-N281 PolarHBondContact O-ND2 3.01Å; R277-E322 WeakPolarHBondContact CD-O 3.4Å; R277-E322 PolarHBondContact NH1-O 3.4Å
278V97.8Very high92Very high53 Ų5351.2 Ų51.232%0.32125%0.25SS..Hα-helixtrans-65.6-43.3173.3-177.60000110.4L235 P274 M275 L276 N281 T282L235-V278 HydrophobicContact CD1-CG1 4.44Å; L235-V278 HydrophobicContact CD2-CG1 3.55Å; P274-V278 PolarHBondContact O-N 2.75Å; M275-V278 WeakPolarHBondContact O-CB 3.39Å; M275-V278 PolarHBondContact O-N 3.48Å; L276-V278 VanDerWaalsContact C-N 3.32Å; L276-V278 PolarHBondContact O-N 2.93Å; V278-N281 PolarHBondContact O-N 3.4Å; V278-T282 WeakPolarHBondContact O-CB 3.44Å; V278-T282 PolarHBondContact O-N 2.7Å; V278-T282 PolarHBondContact O-OG1 2.94Å
279Y97.3Very high90.1Very high1 Ų149 Ų490%0.00426%0.257CS..Hα-helixtrans-63.7-41.6174.1-78.7-97.1000112.1M223 I231 T234 L235 C238 L250 M275 L276 N281 T282 A283 F297M223-Y279 HydrophobicContact CE-CE2 4.29Å; M223-Y279 WeakPolarHBondContact CE-OH 3.36Å; I231-Y279 HydrophobicContact CG2-CE2 4.27Å; I231-Y279 PolarHBondContact O-OH 2.84Å; T234-Y279 WeakPolarHBondContact CB-OH 3.38Å; L235-Y279 HydrophobicContact CB-CE1 4.22Å; L235-Y279 HydrophobicContact CB-CE2 4.47Å; L235-Y279 HydrophobicContact CD1-CD1 3.56Å; L235-Y279 HydrophobicContact CD1-CD2 3.95Å; L235-Y279 HydrophobicContact CD1-CE1 3.66Å; L235-Y279 HydrophobicContact CD1-CE2 4.04Å; L235-Y279 HydrophobicContact CD1-CG 3.72Å; L235-Y279 PolarHBondContact N-OH 2.88Å; C238-Y279 HydrophobicContact CB-CE1 4.47Å; L250-Y279 HydrophobicContact CD2-CD1 3.75Å; L250-Y279 HydrophobicContact CD2-CE1 3.48Å; L250-Y279 VanDerWaalsContact CD2-CE1 3.48Å; L250-Y279 HydrophobicContact CD2-CG 4.45Å; M275-Y279 HydrophobicContact CG-CD2 4.3Å; M275-Y279 HydrophobicContact CG-CE2 4.05Å; M275-Y279 WeakPolarHBondContact O-CD2 3.33Å; M275-Y279 PolarHBondContact O-N 2.63Å; M275-Y279 HydrophobicContact SD-CE2 4.46Å; L276-Y279 PolarHBondContact O-N 2.76Å; Y279-N281 PolarHBondContact O-N 3.25Å; Y279-T282 WeakPolarHBondContact O-CB 3.37Å; Y279-T282 PolarHBondContact O-N 3Å; Y279-A283 PolarHBondContact O-N 3.32Å; Y279-F297 HydrophobicContact CD1-CD2 4.5Å
280N95.7Very high88.4Confident9 Ų951.1 Ų51.15%0.04828%0.281CS..Hα-helixtrans-56.8-50.7175.5-172.992.5000111.5L276 R277 T282 A283 R284 A325 R326 D327 L328L276-N280 WeakPolarHBondContact O-CB 3.17Å; L276-N280 PolarHBondContact O-N 3.05Å; R277-N280 WeakPolarHBondContact O-CB 3.29Å; R277-N280 PolarHBondContact O-N 3.4Å; N280-T282 VanDerWaalsContact C-N 3.26Å; N280-T282 PolarHBondContact O-N 2.89Å; N280-A283 WeakPolarHBondContact O-CB 3.45Å; N280-A283 PolarHBondContact O-N 3.25Å; N280-R284 WeakPolarHBondContact O-CG 3.31Å; N280-R284 PolarHBondContact O-N 3Å; N280-R284 VanDerWaalsContact O-N 3.1Å; N280-A325 HydrophobicContact CB-CB 3.9Å; N280-A325 WeakPolarHBondContact OD1-CA 3.26Å; N280-A325 PolarHBondContact OD1-O 2.94Å; N280-R326 PolarHBondContact OD1-N 3.19Å; N280-D327 PolarHBondContact ND2-OD2 3.06Å; N280-D327 WeakPolarHBondContact OD1-CA 3.19Å; N280-D327 WeakPolarHBondContact OD1-CB 3.38Å; N280-D327 PolarHBondContact OD1-N 3.3Å; N280-D327 PolarHBondContact OD1-OD2 3.38Å; N280-L328 HydrophobicContact CB-CD1 4.13Å; N280-L328 HydrophobicContact CB-CD2 4.5Å; N280-L328 HydrophobicContact CB-CG 3.97Å; N280-L328 PolarHBondContact OD1-N 3.21Å
281N94.9Very high86.8Confident84 Ų8450.6 Ų50.645%0.44928%0.279SS..Hα-helixtrans-65.9-32.1179.9-67.6-23.7000112R277 V278 Y279 R284 Y285R277-N281 VanDerWaalsContact O-CG 3.27Å; R277-N281 PolarHBondContact O-N 3.22Å; R277-N281 PolarHBondContact O-ND2 3.01Å; V278-N281 PolarHBondContact O-N 3.4Å; Y279-N281 PolarHBondContact O-N 3.25Å; N281-R284 PolarHBondContact O-N 3.12Å; N281-Y285 WeakPolarHBondContact O-CB 2.82Å; N281-Y285 PolarHBondContact O-N 2.91Å
282T94.3Very high84.8Confident23 Ų2358.5 Ų58.514%0.14131%0.311CS..Hα-helixtrans-67.7-42.8173.8-60.50000111.7L235 A239 V278 Y279 N280 R284 Y285 V286L235-T282 HydrophobicContact CD1-CG2 4.06Å; A239-T282 HydrophobicContact CB-CG2 4.03Å; V278-T282 WeakPolarHBondContact O-CB 3.44Å; V278-T282 PolarHBondContact O-N 2.7Å; V278-T282 PolarHBondContact O-OG1 2.94Å; Y279-T282 WeakPolarHBondContact O-CB 3.37Å; Y279-T282 PolarHBondContact O-N 3Å; N280-T282 VanDerWaalsContact C-N 3.26Å; N280-T282 PolarHBondContact O-N 2.89Å; T282-R284 VanDerWaalsContact C-N 3.27Å; T282-R284 PolarHBondContact O-N 3.07Å; T282-Y285 PolarHBondContact O-N 3.3Å; T282-Y285 VanDerWaalsContact O-N 3.16Å; T282-V286 HydrophobicContact CG2-CG2 4.35Å; T282-V286 PolarHBondContact O-N 3.43Å
283A91.1Very high83.1Confident3 Ų362.6 Ų62.63%0.02533%0.326CS..Hα-helixtrans-59.2-39175.200000111.9Y279 N280 F297 L328Y279-A283 PolarHBondContact O-N 3.32Å; N280-A283 WeakPolarHBondContact O-CB 3.45Å; N280-A283 PolarHBondContact O-N 3.25Å; A283-F297 HydrophobicContact CB-CD2 3.9Å; A283-F297 HydrophobicContact CB-CE1 4.5Å; A283-F297 HydrophobicContact CB-CE2 3.66Å; A283-F297 HydrophobicContact CB-CG 4.44Å; A283-F297 HydrophobicContact CB-CZ 3.98Å; A283-L328 HydrophobicContact CB-CD2 4.33Å
284R88.4Confident81.5Confident159 Ų15965.7 Ų65.760%0.635%0.346SS*.Hα-helixtrans-69.4-38174.2-66178.874.8167.7-3.1113.5N280 N281 T282 D327N280-R284 WeakPolarHBondContact O-CG 3.31Å; N280-R284 PolarHBondContact O-N 3Å; N280-R284 VanDerWaalsContact O-N 3.1Å; N281-R284 PolarHBondContact O-N 3.12Å; T282-R284 VanDerWaalsContact C-N 3.27Å; T282-R284 PolarHBondContact O-N 3.07Å; R284-D327 WeakPolarHBondContact CD-OD2 3.5Å; R284-D327 HydrophobicContact CG-CB 3.92Å; R284-D327 WeakPolarHBondContact CG-OD2 3.37Å; R284-D327 IonicContact NE-OD2 3.64Å
285Y88.5Confident80.3Confident198 Ų19863.2 Ų63.278%0.77633%0.332SS*.Hα-helixtrans-72.5-39.8-177176.1-109.3000111.9N281 T282 D287N281-Y285 WeakPolarHBondContact O-CB 2.82Å; N281-Y285 PolarHBondContact O-N 2.91Å; T282-Y285 PolarHBondContact O-N 3.3Å; T282-Y285 VanDerWaalsContact O-N 3.16Å; Y285-D287 PolarHBondContact O-N 2.95Å
286V83.6Confident79.8Confident24 Ų2463.1 Ų63.115%0.14533%0.334CS..  trans-97.665.6-177.9-166.40000110.3A239 S242 K243 T282 Q288A239-V286 HydrophobicContact CB-CG2 4.27Å; S242-V286 PolarHBondContact OG-O 2.95Å; K243-V286 HydrophobicContact CB-CG1 3.83Å; T282-V286 HydrophobicContact CG2-CG2 4.35Å; T282-V286 PolarHBondContact O-N 3.43Å; V286-Q288 PolarHBondContact O-N 2.94Å; V286-Q288 VanDerWaalsContact O-N 3.1Å
287D70.4Confident79.7Confident48 Ų4863.1 Ų63.126%0.25733%0.334SS..  trans-82.628.5-174.978.5-17.6000115.2Y285 G289 N291Y285-D287 PolarHBondContact O-N 2.95Å; D287-G289 VanDerWaalsContact C-N 3.34Å; D287-G289 PolarHBondContact O-N 3.3Å; D287-N291 PolarHBondContact OD2-ND2 3.04Å; D287-N291 PolarHBondContact OD2-OD1 2.99Å
288Q65.1Low79.8Confident22 Ų2258.9 Ų58.910%0.10332%0.318CS..THydrogen-bonded Turntrans60.433.9173.8-39.2-172.7-400115.2S242 A245 V286 R293S242-Q288 WeakPolarHBondContact O-CG 3.33Å; A245-Q288 VanDerWaalsContact CA-OE1 3.25Å; A245-Q288 HydrophobicContact CB-CB 4.47Å; A245-Q288 HydrophobicContact CB-CG 4.49Å; V286-Q288 PolarHBondContact O-N 2.94Å; V286-Q288 VanDerWaalsContact O-N 3.1Å; Q288-R293 WeakPolarHBondContact CB-O 3.44Å; Q288-R293 WeakPolarHBondContact CG-O 3.45Å; Q288-R293 PolarHBondContact OE1-O 2.94Å
289G53.2Low79.8Confident71 Ų7156.4 Ų56.473%0.73230%0.303SS*.THydrogen-bonded Turntrans7752.7164.200000114.3D287D287-G289 VanDerWaalsContact C-N 3.34Å; D287-G289 PolarHBondContact O-N 3.3Å
290G58.8Low79.9Confident62 Ų6256.4 Ų56.464%0.63930%0.303SS*.THydrogen-bonded Turntrans106.33517400000114.1K292G290-K292 PolarHBondContact O-N 3.27Å
291N60.2Low80Confident108 Ų10856 Ų5658%0.57830%0.301SS*.SBendtrans57.526.2177.9-83.4-49.4000115.2D287 R293D287-N291 PolarHBondContact OD2-ND2 3.04Å; D287-N291 PolarHBondContact OD2-OD1 2.99Å; N291-R293 PolarHBondContact O-N 3.5Å
292K55.6Low80.2Confident174 Ų17452.1 Ų52.176%0.75728%0.28SS*.SBendtrans-58.6-35.5171.2-79.4-170.4177.5-175.20111.1G290G290-K292 PolarHBondContact O-N 3.27Å
293R61.8Low80.4Confident87 Ų8751 Ų5133%0.32827%0.273SS..SBendtrans-158.3122.7171.6173.3-177.6-159.7-170.57.1107.8A245 Q288 N291A245-R293 PolarHBondContact O-NH1 2.95Å; Q288-R293 WeakPolarHBondContact CB-O 3.44Å; Q288-R293 WeakPolarHBondContact CG-O 3.45Å; Q288-R293 PolarHBondContact OE1-O 2.94Å; N291-R293 PolarHBondContact O-N 3.5Å
294P63.6Low80.8Confident84 Ų8450.9 Ų50.955%0.54527%0.272SS..  trans-62.7145.4179.4-24.434.4000112.1A296P294-A296 PolarHBondContact O-N 3.48Å
295G72.4Confident81.3Confident9 Ų943.3 Ų43.39%0.09324%0.244CC..  trans-60.4129.9170.600000110.5
296A88.5Confident81.8Confident17 Ų1734.5 Ų34.514%0.1421%0.212CC..  trans-138.5118.3-173.600000111I248 P294 F329 L428I248-A296 PolarHBondContact N-O 2.75Å; I248-A296 VanDerWaalsContact N-O 3.14Å; P294-A296 PolarHBondContact O-N 3.48Å; A296-F329 HydrophobicContact CB-CD2 4.41Å; A296-F329 HydrophobicContact CB-CE2 3.92Å; A296-L428 HydrophobicContact CB-CD1 3.96Å; A296-L428 HydrophobicContact CB-CD2 3.68Å
297F95.9Very high82.5Confident1 Ų133.6 Ų33.60%0.00421%0.206CC..EExtended strand (participates in β ladder)trans-118.1130.4178.7-46.6-24.5000109.3C238 I248 Y279 A283 L328 F329C238-F297 HydrophobicContact CB-CE2 4.34Å; C238-F297 HydrophobicContact CB-CZ 4.22Å; I248-F297 HydrophobicContact CB-CB 4.33Å; I248-F297 HydrophobicContact CB-CD1 3.65Å; I248-F297 HydrophobicContact CB-CE1 4.36Å; I248-F297 HydrophobicContact CB-CG 4.23Å; I248-F297 HydrophobicContact CD1-CD1 3.66Å; I248-F297 HydrophobicContact CD1-CE1 3.46Å; I248-F297 VanDerWaalsContact CD1-CE1 3.46Å; I248-F297 HydrophobicContact CD1-CZ 4.16Å; I248-F297 HydrophobicContact CG1-CD1 3.79Å; I248-F297 HydrophobicContact CG1-CE1 3.99Å; I248-F297 HydrophobicContact CG2-CD1 4.48Å; I248-F297 CarbonylContact O-C 3.52Å; I248-F297 WeakPolarHBondContact O-CA 3.34Å; Y279-F297 HydrophobicContact CD1-CD2 4.5Å; A283-F297 HydrophobicContact CB-CD2 3.9Å; A283-F297 HydrophobicContact CB-CE1 4.5Å; A283-F297 HydrophobicContact CB-CE2 3.66Å; A283-F297 HydrophobicContact CB-CG 4.44Å; A283-F297 HydrophobicContact CB-CZ 3.98Å; F297-L328 HydrophobicContact CB-CD2 3.92Å; F297-L328 HydrophobicContact CD2-CD2 3.81Å; F297-L328 HydrophobicContact CG-CD2 4.25Å; F297-F329 PolarHBondContact O-N 2.92Å
298S98Very high83.8Confident0 Ų031.3 Ų31.30%019%0.194CC..EExtended strand (participates in β ladder)trans-99.7123.7167.1-173.50000109.4I248 G249 L250 F329 Y404I248-S298 PolarHBondContact O-N 2.95Å; G249-S298 CarbonylContact C-O 3.38Å; G249-S298 WeakPolarHBondContact CA-O 3.49Å; L250-S298 PolarHBondContact N-O 3.3Å; S298-F329 CarbonylContact C-O 3.54Å; S298-F329 WeakPolarHBondContact CA-O 3.19Å; S298-Y404 WeakPolarHBondContact OG-CE2 3.23Å
299V98.7Very high85.4Confident1 Ų132 Ų321%0.00620%0.197CC..EExtended strand (participates in β ladder)trans-98.7128.6-178.9-175.30000108.9L250 V252 L276 F311 L328 F329 F330 A331L250-V299 WeakPolarHBondContact O-CA 3.37Å; V252-V299 HydrophobicContact CB-CG1 4.31Å; V252-V299 HydrophobicContact CG1-CG1 3.8Å; V252-V299 HydrophobicContact CG2-CG1 3.48Å; V252-V299 VanDerWaalsContact CG2-CG1 3.48Å; L276-V299 HydrophobicContact CD1-CG1 4.24Å; L276-V299 HydrophobicContact CD2-CG1 3.78Å; L276-V299 HydrophobicContact CD2-CG2 4.02Å; V299-F311 HydrophobicContact CB-CE2 4.18Å; V299-F311 HydrophobicContact CB-CZ 4.49Å; V299-F311 HydrophobicContact CG1-CE2 3.78Å; V299-F311 HydrophobicContact CG1-CZ 4.4Å; V299-F311 WeakPolarHBondContact O-CZ 3.5Å; V299-L328 HydrophobicContact CG2-CD1 4.05Å; V299-F329 PolarHBondContact N-O 3.36Å; V299-F330 HydrophobicContact CB-CD1 4.24Å; V299-A331 PolarHBondContact O-N 2.87Å
300Y98.9Very high87.6Confident1 Ų132.4 Ų32.40%0.00418%0.18CC..EExtended strand (participates in β ladder)trans-106.2126.8-177.5-74.2-98.1000111.2L250 V252 A331 W333 L406 S426 N427L250-Y300 PolarHBondContact O-N 3.27Å; V252-Y300 WeakPolarHBondContact CG2-O 3.27Å; V252-Y300 PolarHBondContact N-O 2.97Å; V252-Y300 VanDerWaalsContact N-O 3.1Å; Y300-A331 WeakPolarHBondContact CA-O 3.37Å; Y300-A331 HydrophobicContact CD1-CB 3.51Å; Y300-A331 HydrophobicContact CD2-CB 4.25Å; Y300-A331 HydrophobicContact CE1-CB 3.34Å; Y300-A331 HydrophobicContact CE2-CB 4.12Å; Y300-A331 HydrophobicContact CG-CB 3.95Å; Y300-W333 HydrophobicContact CD1-CE3 4.34Å; Y300-L406 HydrophobicContact CE1-CD1 3.68Å; Y300-L406 HydrophobicContact CE1-CD2 3.81Å; Y300-L406 HydrophobicContact CE1-CG 4.32Å; Y300-S426 WeakPolarHBondContact CE2-O 3.29Å; Y300-S426 WeakPolarHBondContact OH-CB 3.39Å; Y300-N427 WeakPolarHBondContact CE2-O 3.43Å; Y300-N427 PolarHBondContact OH-O 3.5Å
301L98.9Very high89.5Confident0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-132.8133.8177.9-168.270.1000111.4V252 L272 H305 V308 F311 A331 L332 W333V252-L301 HydrophobicContact CG2-CD1 4.04Å; L272-L301 HydrophobicContact CD1-CD1 3.51Å; L272-L301 HydrophobicContact CD1-CD2 3.94Å; L272-L301 HydrophobicContact CD1-CG 4.4Å; L301-H305 HydrophobicContact CD1-CB 3.77Å; L301-H305 HydrophobicContact CD2-CB 4.15Å; L301-H305 HydrophobicContact CG-CB 3.97Å; L301-V308 HydrophobicContact CD2-CB 4.31Å; L301-V308 HydrophobicContact CD2-CG2 4.43Å; L301-F311 HydrophobicContact CB-CD1 4.22Å; L301-F311 HydrophobicContact CB-CD2 4.23Å; L301-F311 HydrophobicContact CB-CE1 3.91Å; L301-F311 HydrophobicContact CB-CE2 3.89Å; L301-F311 HydrophobicContact CB-CG 4.36Å; L301-F311 HydrophobicContact CB-CZ 3.71Å; L301-F311 HydrophobicContact CD2-CB 3.67Å; L301-F311 HydrophobicContact CD2-CD1 3.88Å; L301-F311 HydrophobicContact CD2-CD2 3.78Å; L301-F311 HydrophobicContact CD2-CE1 4.42Å; L301-F311 HydrophobicContact CD2-CE2 4.32Å; L301-F311 HydrophobicContact CD2-CG 3.52Å; L301-A331 PolarHBondContact N-O 3.13Å; L301-L332 WeakPolarHBondContact O-CA 3.37Å; L301-W333 PolarHBondContact O-N 2.79Å
302E98.9Very high91.3Very high2 Ų224.5 Ų24.51%0.00912%0.123CC..  trans-77.5139.4170.3-60.5-163.2-150.900111.7S253 W304 H305 W333 D360 K408S253-E302 PolarHBondContact OG-N 3.26Å; E302-W304 HydrophobicContact CB-CD2 4.38Å; E302-W304 HydrophobicContact CB-CG 4.38Å; E302-W304 HydrophobicContact CB-CZ2 4.11Å; E302-W304 HydrophobicContact CG-CZ2 4.48Å; E302-W304 PolarHBondContact O-N 3.15Å; E302-W304 VanDerWaalsContact O-N 3.1Å; E302-W304 PolarHBondContact OE2-NE1 2.89Å; E302-H305 WeakPolarHBondContact O-CB 3.42Å; E302-H305 PolarHBondContact O-N 3.09Å; E302-W333 WeakPolarHBondContact CA-O 3.49Å; E302-W333 HydrophobicContact CG-CB 4.05Å; E302-W333 HydrophobicContact CG-CG 4.39Å; E302-W333 WeakPolarHBondContact CG-O 3.48Å; E302-D360 WeakPolarHBondContact OE1-CA 3.22Å; E302-K408 IonicContact OE1-NZ 2.66Å; E302-K408 PolarHBondContact OE1-NZ 3.37Å; E302-K408 IonicContact OE2-NZ 2.96Å; E302-K408 PolarHBondContact OE2-NZ 3.46Å
303P98.8Very high93.3Very high0 Ų019 Ų190%010%0.1CC..THydrogen-bonded Turntrans-72-6.3-169.128.7-36.1000115.1H305 W333 I334 P335 F338 W348 L389P303-H305 VanDerWaalsContact C-N 3.29Å; P303-W333 VanDerWaalsContact CD-O 3.25Å; P303-W333 WeakPolarHBondContact CD-O 3.48Å; P303-I334 HydrophobicContact CG-CG2 4.45Å; P303-P335 HydrophobicContact CG-CG 4.45Å; P303-F338 HydrophobicContact CB-CD1 4.34Å; P303-F338 HydrophobicContact CB-CD2 4.4Å; P303-F338 HydrophobicContact CB-CE1 4.46Å; P303-F338 HydrophobicContact CB-CG 4.29Å; P303-F338 HydrophobicContact CG-CB 4.08Å; P303-F338 HydrophobicContact CG-CD1 4.04Å; P303-F338 HydrophobicContact CG-CD2 4.42Å; P303-F338 HydrophobicContact CG-CG 3.91Å; P303-W348 HydrophobicContact CG-CZ2 4.36Å; P303-W348 PolarHBondContact O-NE1 3.08Å; P303-L389 HydrophobicContact CB-CD2 4.04Å; P303-L389 VanDerWaalsContact O-CD2 3.28Å; P303-L389 WeakPolarHBondContact O-CD2 3.42Å
304W98.8Very high95Very high0 Ų014.9 Ų14.90%08%0.084CC..THydrogen-bonded Turntrans-79.1-12.5170.853.3-100.2000112.7S253 E302 A306 W348 L350 M351 P353 L359 F367 Y371S253-W304 WeakPolarHBondContact O-CH2 3.49Å; E302-W304 HydrophobicContact CB-CD2 4.38Å; E302-W304 HydrophobicContact CB-CG 4.38Å; E302-W304 HydrophobicContact CB-CZ2 4.11Å; E302-W304 HydrophobicContact CG-CZ2 4.48Å; E302-W304 PolarHBondContact O-N 3.15Å; E302-W304 VanDerWaalsContact O-N 3.1Å; E302-W304 PolarHBondContact OE2-NE1 2.89Å; W304-A306 PolarHBondContact O-N 2.88Å; W304-W348 HydrophobicContact CB-CH2 4.49Å; W304-W348 HydrophobicContact CB-CZ2 3.66Å; W304-L350 CarbonylContact O-C 3.57Å; W304-L350 VanDerWaalsContact O-CA 3.24Å; W304-L350 WeakPolarHBondContact O-CA 3.48Å; W304-M351 HydrophobicContact CE3-CB 4.24Å; W304-M351 PolarHBondContact O-N 3.44Å; W304-P353 HydrophobicContact CH2-CB 4.21Å; W304-P353 HydrophobicContact CZ3-CB 4.33Å; W304-L359 HydrophobicContact CD2-CB 4.44Å; W304-L359 HydrophobicContact CD2-CD1 3.93Å; W304-L359 HydrophobicContact CE3-CD1 3.94Å; W304-L359 HydrophobicContact CG-CD1 4.47Å; W304-L359 HydrophobicContact CH2-CB 4.07Å; W304-L359 HydrophobicContact CH2-CD1 4.44Å; W304-L359 HydrophobicContact CZ2-CB 3.6Å; W304-L359 HydrophobicContact CZ2-CD1 4.41Å; W304-L359 HydrophobicContact CZ3-CD1 4.21Å; W304-F367 AromaticContact CD1-CE2 3.79Å; W304-F367 AromaticContact CD1-CZ 3.61Å; W304-F367 AromaticContact NE1-CE2 3.64Å; W304-F367 AromaticContact NE1-CZ 3.96Å; W304-Y371 HydrophobicContact CB-CD2 4.43Å; W304-Y371 HydrophobicContact CB-CE2 3.77Å
305H98.8Very high96.5Very high0 Ų012.7 Ų12.70%07%0.066CC..BIsolated β-bridgetrans-65.7136.6-175.8-170.4-86.3000111.9I255 L272 L301 E302 P303 D307 V308I255-H305 PolarHBondContact O-NE2 3.36Å; L272-H305 VanDerWaalsContact CD1-CE1 3.44Å; L272-H305 WeakPolarHBondContact CD1-CE1 3.36Å; L301-H305 HydrophobicContact CD1-CB 3.77Å; L301-H305 HydrophobicContact CD2-CB 4.15Å; L301-H305 HydrophobicContact CG-CB 3.97Å; E302-H305 WeakPolarHBondContact O-CB 3.42Å; E302-H305 PolarHBondContact O-N 3.09Å; P303-H305 VanDerWaalsContact C-N 3.29Å; H305-D307 VanDerWaalsContact C-N 3.29Å; H305-D307 IonicContact CE1-OD2 3.81Å; H305-D307 PolarHBondContact ND1-N 3.28Å; H305-D307 VanDerWaalsContact ND1-N 3.14Å; H305-D307 PolarHBondContact O-N 3.23Å; H305-V308 VanDerWaalsContact O-CB 3.24Å; H305-V308 WeakPolarHBondContact O-CB 3.47Å; H305-V308 VanDerWaalsContact O-CG1 3.26Å; H305-V308 WeakPolarHBondContact O-CG1 3.46Å; H305-V308 PolarHBondContact O-N 3.11Å
306A98.6Very high97.6Very high13 Ų1312.7 Ų12.711%0.1076%0.063CC..THydrogen-bonded Turntrans-63.4-27.6-173.800000115.8A257 W304 V308 L350 M351 K381A257-A306 HydrophobicContact CB-CB 3.64Å; W304-A306 PolarHBondContact O-N 2.88Å; A306-V308 VanDerWaalsContact C-N 3.32Å; A306-V308 PolarHBondContact O-N 3.04Å; A306-L350 HydrophobicContact CB-CB 4.35Å; A306-M351 WeakPolarHBondContact CB-O 3.41Å; A306-M351 PolarHBondContact N-O 3.36Å; A306-K381 HydrophobicContact CB-CB 4.01Å; A306-K381 HydrophobicContact CB-CG 4.11Å
307D98.6Very high97.6Very high6 Ų617.9 Ų17.93%0.0329%0.089CC..THydrogen-bonded Turntrans-86.613174.5-62.1-25.7000113.9A257 T258 G271 L272 H305 F309 E310 F311A257-D307 WeakPolarHBondContact CA-OD2 3.38Å; T258-D307 VanDerWaalsContact CB-OD1 3.27Å; T258-D307 WeakPolarHBondContact CB-OD1 3.21Å; T258-D307 PolarHBondContact N-OD1 3.05Å; T258-D307 PolarHBondContact N-OD2 3.21Å; T258-D307 PolarHBondContact OG1-OD1 3.41Å; T258-D307 PolarHBondContact OG1-OD2 3.37Å; G271-D307 VanDerWaalsContact CA-OD2 3.23Å; G271-D307 WeakPolarHBondContact CA-OD2 3.47Å; L272-D307 HydrophobicContact CB-CB 4.35Å; L272-D307 HydrophobicContact CD1-CB 4.16Å; L272-D307 HydrophobicContact CG-CB 4.32Å; L272-D307 PolarHBondContact N-OD2 3.38Å; H305-D307 VanDerWaalsContact C-N 3.29Å; H305-D307 IonicContact CE1-OD2 3.81Å; H305-D307 PolarHBondContact ND1-N 3.28Å; H305-D307 VanDerWaalsContact ND1-N 3.14Å; H305-D307 PolarHBondContact O-N 3.23Å; D307-F309 VanDerWaalsContact C-N 3.32Å; D307-F309 PolarHBondContact O-N 3.46Å; D307-E310 PolarHBondContact O-N 2.73Å; D307-F311 WeakPolarHBondContact O-CB 3.47Å; D307-F311 PolarHBondContact O-N 3.47Å
308V98.8Very high97.2Very high0 Ų022.7 Ų22.70%012%0.119CC..Hα-helixtrans-61.3-35-173.566.10000113.6L301 H305 A306 F311 L312 L332 L350 L389L301-V308 HydrophobicContact CD2-CB 4.31Å; L301-V308 HydrophobicContact CD2-CG2 4.43Å; H305-V308 VanDerWaalsContact O-CB 3.24Å; H305-V308 WeakPolarHBondContact O-CB 3.47Å; H305-V308 VanDerWaalsContact O-CG1 3.26Å; H305-V308 WeakPolarHBondContact O-CG1 3.46Å; H305-V308 PolarHBondContact O-N 3.11Å; A306-V308 VanDerWaalsContact C-N 3.32Å; A306-V308 PolarHBondContact O-N 3.04Å; V308-F311 WeakPolarHBondContact O-CB 3.48Å; V308-F311 PolarHBondContact O-N 3.41Å; V308-L312 VanDerWaalsContact O-CG 3.3Å; V308-L312 WeakPolarHBondContact O-CG 3.29Å; V308-L312 PolarHBondContact O-N 2.93Å; V308-L312 VanDerWaalsContact O-N 3.14Å; V308-L332 HydrophobicContact CG2-CD2 4.46Å; V308-L350 HydrophobicContact CG1-CD1 4.27Å; V308-L350 HydrophobicContact CG1-CD2 3.93Å; V308-L389 HydrophobicContact CG1-CD1 3.74Å; V308-L389 HydrophobicContact CG1-CD2 3.94Å; V308-L389 HydrophobicContact CG2-CD1 4.01Å; V308-L389 HydrophobicContact CG2-CD2 4.4Å
309F98.6Very high96.8Very high35 Ų3525.3 Ų25.315%0.15415%0.146CC..Hα-helixtrans-68.5-44.4179.6-80-90.6000110.9D307 F311 L312 E313 L350 V384 Q388 L389 A392D307-F309 VanDerWaalsContact C-N 3.32Å; D307-F309 PolarHBondContact O-N 3.46Å; F309-F311 VanDerWaalsContact C-N 3.28Å; F309-F311 PolarHBondContact O-N 2.92Å; F309-L312 PolarHBondContact O-N 2.82Å; F309-E313 WeakPolarHBondContact O-CG 3.49Å; F309-E313 PolarHBondContact O-N 3.42Å; F309-L350 HydrophobicContact CD2-CD1 4.09Å; F309-L350 HydrophobicContact CE2-CD1 4.01Å; F309-V384 HydrophobicContact CE2-CG1 4.2Å; F309-V384 HydrophobicContact CE2-CG2 4.37Å; F309-V384 HydrophobicContact CZ-CG1 4.47Å; F309-Q388 HydrophobicContact CZ-CG 4.35Å; F309-L389 HydrophobicContact CD1-CD1 4.48Å; F309-L389 HydrophobicContact CD2-CD1 4.19Å; F309-L389 HydrophobicContact CE1-CD1 4.17Å; F309-L389 HydrophobicContact CE2-CB 4.37Å; F309-L389 HydrophobicContact CE2-CD1 3.88Å; F309-L389 HydrophobicContact CZ-CB 3.99Å; F309-L389 HydrophobicContact CZ-CD1 3.88Å; F309-A392 HydrophobicContact CD1-CB 3.93Å; F309-A392 HydrophobicContact CE1-CB 3.82Å
310E98.1Very high96.3Very high80 Ų8031.8 Ų31.837%0.37417%0.174SC..Hα-helixtrans-66.1-33.7176.8-65.471.6-160.800111.4V273 D307 E313V273-E310 HydrophobicContact CG2-CB 3.83Å; D307-E310 PolarHBondContact O-N 2.73Å; E310-E313 PolarHBondContact O-N 2.92Å
311F98.6Very high95.8Very high2 Ų236.9 Ų36.91%0.00920%0.197CC..Hα-helixtrans-61.7-42.6173.8177.1-93.4000112.7L276 V299 L301 D307 V308 F309 E313 L314 F330 L332L276-F311 HydrophobicContact CD1-CD2 4.02Å; L276-F311 HydrophobicContact CD1-CE2 4.23Å; V299-F311 HydrophobicContact CB-CE2 4.18Å; V299-F311 HydrophobicContact CB-CZ 4.49Å; V299-F311 HydrophobicContact CG1-CE2 3.78Å; V299-F311 HydrophobicContact CG1-CZ 4.4Å; V299-F311 WeakPolarHBondContact O-CZ 3.5Å; L301-F311 HydrophobicContact CB-CD1 4.22Å; L301-F311 HydrophobicContact CB-CD2 4.23Å; L301-F311 HydrophobicContact CB-CE1 3.91Å; L301-F311 HydrophobicContact CB-CE2 3.89Å; L301-F311 HydrophobicContact CB-CG 4.36Å; L301-F311 HydrophobicContact CB-CZ 3.71Å; L301-F311 HydrophobicContact CD2-CB 3.67Å; L301-F311 HydrophobicContact CD2-CD1 3.88Å; L301-F311 HydrophobicContact CD2-CD2 3.78Å; L301-F311 HydrophobicContact CD2-CE1 4.42Å; L301-F311 HydrophobicContact CD2-CE2 4.32Å; L301-F311 HydrophobicContact CD2-CG 3.52Å; D307-F311 WeakPolarHBondContact O-CB 3.47Å; D307-F311 PolarHBondContact O-N 3.47Å; V308-F311 WeakPolarHBondContact O-CB 3.48Å; V308-F311 PolarHBondContact O-N 3.41Å; F309-F311 VanDerWaalsContact C-N 3.28Å; F309-F311 PolarHBondContact O-N 2.92Å; F311-E313 PolarHBondContact O-N 3.35Å; F311-L314 HydrophobicContact CD2-CD1 4.1Å; F311-L314 WeakPolarHBondContact O-CB 3.33Å; F311-L314 PolarHBondContact O-N 3.42Å; F311-F330 HydrophobicContact CD2-CD1 4.05Å; F311-F330 HydrophobicContact CD2-CE1 4.44Å; F311-F330 HydrophobicContact CE1-CB 3.89Å; F311-F330 HydrophobicContact CE1-CD1 4.14Å; F311-F330 HydrophobicContact CE1-CG 4.41Å; F311-F330 AromaticContact CE2-CD1 3.46Å; F311-F330 HydrophobicContact CE2-CD1 3.46Å; F311-F330 VanDerWaalsContact CE2-CD1 3.46Å; F311-F330 HydrophobicContact CE2-CE1 4.1Å; F311-F330 HydrophobicContact CE2-CG 4.45Å; F311-F330 HydrophobicContact CZ-CB 3.83Å; F311-F330 AromaticContact CZ-CD1 3.52Å; F311-F330 HydrophobicContact CZ-CD1 3.52Å; F311-F330 HydrophobicContact CZ-CG 4.13Å; F311-L332 HydrophobicContact CD1-CD2 4.46Å; F311-L332 HydrophobicContact CE1-CD2 4.19Å
312L98.4Very high95.4Very high3 Ų342.7 Ų42.72%0.01622%0.224CC..Hα-helixtrans-64.2-22.3177.6-67.1169.5000113V308 F309 L332 L389 A392 I393 S396 P403V308-L312 VanDerWaalsContact O-CG 3.3Å; V308-L312 WeakPolarHBondContact O-CG 3.29Å; V308-L312 PolarHBondContact O-N 2.93Å; V308-L312 VanDerWaalsContact O-N 3.14Å; F309-L312 PolarHBondContact O-N 2.82Å; L312-L332 HydrophobicContact CD2-CD1 4.4Å; L312-L389 HydrophobicContact CD1-CD1 3.92Å; L312-A392 HydrophobicContact CD1-CB 3.78Å; L312-I393 HydrophobicContact CD1-CG1 3.85Å; L312-I393 HydrophobicContact CD2-CG1 4.16Å; L312-S396 PolarHBondContact O-OG 2.94Å; L312-S396 VanDerWaalsContact O-OG 3.14Å; L312-P403 HydrophobicContact CD2-CG 3.55Å
313E97.6Very high95.1Very high59 Ų5947.1 Ų47.128%0.27625%0.245SC..Hα-helixtrans-85.6-15.4-179.2-68-72132.800113.4F309 E310 F311 K315 K316 R324F309-E313 WeakPolarHBondContact O-CG 3.49Å; F309-E313 PolarHBondContact O-N 3.42Å; E310-E313 PolarHBondContact O-N 2.92Å; F311-E313 PolarHBondContact O-N 3.35Å; E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 2.99Å; E313-K315 VanDerWaalsContact O-N 3.15Å; E313-K316 PolarHBondContact O-N 3.2Å; E313-K316 VanDerWaalsContact O-N 3.14Å; E313-K316 WeakPolarHBondContact OE1-CE 3.46Å; E313-K316 IonicContact OE1-NZ 2.74Å; E313-K316 PolarHBondContact OE1-NZ 3.37Å; E313-K316 WeakPolarHBondContact OE2-CD 3.13Å; E313-K316 IonicContact OE2-NZ 2.74Å; E313-R324 WeakPolarHBondContact O-CD 3.13Å; E313-R324 VanDerWaalsContact O-CZ 3.28Å; E313-R324 PolarHBondContact O-NE 2.82Å; E313-R324 PolarHBondContact O-NH1 3Å; E313-R324 IonicContact OE2-NH2 3.85Å; E313-R324 PolarHBondContact OE2-NH2 2.89Å
314L97.6Very high95Very high0 Ų048 Ų480%025%0.248CC..THydrogen-bonded Turntrans-62.5-28.1-167.4-75.7171.6000114.5V273 L276 F311 R324 A325 F330V273-L314 HydrophobicContact CB-CD2 4.47Å; V273-L314 HydrophobicContact CG1-CD2 4Å; V273-L314 HydrophobicContact CG2-CD2 4.15Å; L276-L314 HydrophobicContact CB-CD1 4.49Å; L276-L314 HydrophobicContact CD1-CD1 3.59Å; F311-L314 HydrophobicContact CD2-CD1 4.1Å; F311-L314 WeakPolarHBondContact O-CB 3.33Å; F311-L314 PolarHBondContact O-N 3.42Å; L314-R324 WeakPolarHBondContact O-CA 3.46Å; L314-A325 HydrophobicContact CB-CB 4.48Å; L314-A325 HydrophobicContact CD2-CB 4.22Å; L314-A325 PolarHBondContact O-N 3.36Å; L314-F330 HydrophobicContact CB-CD2 4.45Å; L314-F330 HydrophobicContact CB-CE1 3.83Å; L314-F330 HydrophobicContact CB-CE2 3.64Å; L314-F330 HydrophobicContact CB-CZ 3.28Å; L314-F330 HydrophobicContact CD1-CD1 4.26Å; L314-F330 HydrophobicContact CD1-CE1 3.42Å; L314-F330 VanDerWaalsContact CD1-CE1 3.42Å; L314-F330 HydrophobicContact CD1-CZ 3.73Å; L314-F330 HydrophobicContact CG-CE1 4.27Å; L314-F330 HydrophobicContact CG-CZ 4.12Å
315K96.3Very high94.8Very high37 Ų3748 Ų4816%0.16125%0.248CC..THydrogen-bonded Turntrans-92.9-13.8-178.8-163.261.6167.1-166.10113.5E313 R326 L328 F330 T400E313-K315 VanDerWaalsContact C-N 3.26Å; E313-K315 PolarHBondContact O-N 2.99Å; E313-K315 VanDerWaalsContact O-N 3.15Å; K315-R326 PolarHBondContact NZ-O 2.87Å; K315-L328 WeakPolarHBondContact CD-O 3.07Å; K315-L328 PolarHBondContact NZ-O 3.01Å; K315-F330 HydrophobicContact CB-CD2 3.79Å; K315-F330 HydrophobicContact CB-CE2 3.8Å; K315-F330 HydrophobicContact CD-CD2 4.45Å; K315-F330 HydrophobicContact CD-CE2 4.19Å; K315-F330 HydrophobicContact CG-CD2 4.42Å; K315-F330 HydrophobicContact CG-CE2 4.48Å; K315-T400 HydrophobicContact CB-CG2 4.17Å; K315-T400 HydrophobicContact CG-CG2 4.27Å
316K94.2Very high94.6Very high9 Ų950.9 Ų50.94%0.03926%0.26CS..  trans-61.1144.4-174.3-71.6-173.3176.9-172.40111.6E313 R324 R326 E395 E399 T400E313-K316 PolarHBondContact O-N 3.2Å; E313-K316 VanDerWaalsContact O-N 3.14Å; E313-K316 WeakPolarHBondContact OE1-CE 3.46Å; E313-K316 IonicContact OE1-NZ 2.74Å; E313-K316 PolarHBondContact OE1-NZ 3.37Å; E313-K316 WeakPolarHBondContact OE2-CD 3.13Å; E313-K316 IonicContact OE2-NZ 2.74Å; K316-R324 WeakPolarHBondContact O-CD 3.4Å; K316-R324 PolarHBondContact O-NE 2.9Å; K316-R326 PolarHBondContact O-NE 3.08Å; K316-E395 IonicContact NZ-OE2 3.07Å; K316-E399 WeakPolarHBondContact CD-OE2 3.35Å; K316-E399 VanDerWaalsContact CE-OE1 3.27Å; K316-E399 WeakPolarHBondContact CE-OE1 3.29Å; K316-E399 WeakPolarHBondContact CE-OE2 3.44Å; K316-E399 WeakPolarHBondContact CG-OE2 3.43Å; K316-E399 IonicContact NZ-OE1 2.66Å; K316-E399 PolarHBondContact NZ-OE1 3.43Å; K316-E399 IonicContact NZ-OE2 3.52Å; K316-T400 HydrophobicContact CG-CG2 4.02Å
317N89.1Confident94.4Very high127 Ų12753.4 Ų53.468%0.67927%0.271SS*.SBendtrans-73.3-34.7-178-71.7-39.8000111.8R326N317-R326 PolarHBondContact O-NH2 3.34Å
318T87.8Confident94.3Very high102 Ų10253.1 Ų53.163%0.62627%0.27SS*.SBendtrans-94.3163.5178.457.50000111.5R324T318-R324 VanDerWaalsContact O-CZ 3.24Å; T318-R324 PolarHBondContact O-NE 3.47Å; T318-R324 PolarHBondContact O-NH2 3.37Å
319G88.9Confident94.2Very high55 Ų5555.3 Ų55.357%0.56728%0.279SS*.SBendtrans106-171.318000000114
320K88.1Confident94.2Very high136 Ų13653.9 Ų53.959%0.59127%0.273SS*.  trans-76.9125.9-174.6-64.9178.8-179.4176.60111.3E322 Q323 R324K320-E322 PolarHBondContact O-N 3.45Å; K320-Q323 HydrophobicContact CB-CG 4.41Å; K320-Q323 WeakPolarHBondContact O-CA 3.05Å; K320-Q323 PolarHBondContact O-N 3.23Å; K320-R324 WeakPolarHBondContact O-CG 3.3Å
321E89.1Confident94.2Very high108 Ų10850.1 Ų50.151%0.50526%0.255SS..G310 helixtrans-57.9-32.7-179.6-72.9-58.4129.600113.5Q323 R324 R326E321-Q323 PolarHBondContact O-N 2.88Å; E321-Q323 VanDerWaalsContact O-N 3.1Å; E321-R324 PolarHBondContact O-N 3.16Å; E321-R324 VanDerWaalsContact O-N 3.16Å; E321-R326 IonicContact OE1-CZ 3.59Å; E321-R326 VanDerWaalsContact OE1-CZ 3.27Å; E321-R326 IonicContact OE1-NH1 2.66Å; E321-R326 PolarHBondContact OE1-NH1 2.98Å; E321-R326 IonicContact OE1-NH2 2.86Å; E321-R326 PolarHBondContact OE1-NH2 3.1Å; E321-R326 IonicContact OE2-CZ 2.68Å; E321-R326 IonicContact OE2-NH1 3.85Å; E321-R326 PolarHBondContact OE2-NH1 2.99Å; E321-R326 IonicContact OE2-NH2 3.11Å
322E90.4Very high94.3Very high122 Ų12250 Ų5057%0.5726%0.255SS*.G310 helixtrans-66.6-11.8177.8-58.277.2-167.400113.4R277 K320R277-E322 WeakPolarHBondContact CD-O 3.4Å; R277-E322 PolarHBondContact NH1-O 3.4Å; K320-E322 PolarHBondContact O-N 3.45Å
323Q92.4Very high94.3Very high96 Ų9649.9 Ų49.945%0.44925%0.254SS..G310 helixtrans-11626.1179.5-60.1179.5-30.900111.5V273 K320 E321V273-Q323 HydrophobicContact CG1-CB 4.44Å; K320-Q323 HydrophobicContact CB-CG 4.41Å; K320-Q323 WeakPolarHBondContact O-CA 3.05Å; K320-Q323 PolarHBondContact O-N 3.23Å; E321-Q323 PolarHBondContact O-N 2.88Å; E321-Q323 VanDerWaalsContact O-N 3.1Å
324R95.8Very high94.4Very high17 Ų1747.1 Ų47.16%0.06424%0.241CC..  trans-127.1147.3179.9-61-67.4178-102.817.2111.7E313 L314 K316 T318 K320 E321 R326E313-R324 WeakPolarHBondContact O-CD 3.13Å; E313-R324 VanDerWaalsContact O-CZ 3.28Å; E313-R324 PolarHBondContact O-NE 2.82Å; E313-R324 PolarHBondContact O-NH1 3Å; E313-R324 IonicContact OE2-NH2 3.85Å; E313-R324 PolarHBondContact OE2-NH2 2.89Å; L314-R324 WeakPolarHBondContact O-CA 3.46Å; K316-R324 WeakPolarHBondContact O-CD 3.4Å; K316-R324 PolarHBondContact O-NE 2.9Å; T318-R324 VanDerWaalsContact O-CZ 3.24Å; T318-R324 PolarHBondContact O-NE 3.47Å; T318-R324 PolarHBondContact O-NH2 3.37Å; K320-R324 WeakPolarHBondContact O-CG 3.3Å; E321-R324 PolarHBondContact O-N 3.16Å; E321-R324 VanDerWaalsContact O-N 3.16Å; R324-R326 HydrophobicContact CB-CG 4.35Å
325A96.1Very high94.4Very high0 Ų047.1 Ų47.10%024%0.241CC..  trans-144.967.4177.400000109.2N280 L314 D327 L328 F330N280-A325 HydrophobicContact CB-CB 3.9Å; N280-A325 WeakPolarHBondContact OD1-CA 3.26Å; N280-A325 PolarHBondContact OD1-O 2.94Å; L314-A325 HydrophobicContact CB-CB 4.48Å; L314-A325 HydrophobicContact CD2-CB 4.22Å; L314-A325 PolarHBondContact O-N 3.36Å; A325-D327 VanDerWaalsContact C-N 3.3Å; A325-D327 PolarHBondContact O-N 3.46Å; A325-L328 HydrophobicContact CB-CD1 4.03Å; A325-L328 HydrophobicContact CB-CG 4.36Å; A325-L328 PolarHBondContact O-N 3.37Å; A325-F330 HydrophobicContact CB-CZ 4.12Å; A325-F330 WeakPolarHBondContact O-CZ 3.47Å
326R94.6Very high94.5Very high62 Ų6246.1 Ų46.123%0.23424%0.238CC..THydrogen-bonded Turntrans-76.2-9.8-168-60.3-173.5-171.291-14114.9N280 K315 K316 N317 E321 R324N280-R326 PolarHBondContact OD1-N 3.19Å; K315-R326 PolarHBondContact NZ-O 2.87Å; K316-R326 PolarHBondContact O-NE 3.08Å; N317-R326 PolarHBondContact O-NH2 3.34Å; E321-R326 IonicContact OE1-CZ 3.59Å; E321-R326 VanDerWaalsContact OE1-CZ 3.27Å; E321-R326 IonicContact OE1-NH1 2.66Å; E321-R326 PolarHBondContact OE1-NH1 2.98Å; E321-R326 IonicContact OE1-NH2 2.86Å; E321-R326 PolarHBondContact OE1-NH2 3.1Å; E321-R326 IonicContact OE2-CZ 2.68Å; E321-R326 IonicContact OE2-NH1 3.85Å; E321-R326 PolarHBondContact OE2-NH1 2.99Å; E321-R326 IonicContact OE2-NH2 3.11Å; R324-R326 HydrophobicContact CB-CG 4.35Å
327D93.1Very high94.8Very high65 Ų6546.4 Ų46.435%0.34824%0.239SC..THydrogen-bonded Turntrans-89.7-13175.6-52.5-82.7000111.7N280 R284 A325N280-D327 PolarHBondContact ND2-OD2 3.06Å; N280-D327 WeakPolarHBondContact OD1-CA 3.19Å; N280-D327 WeakPolarHBondContact OD1-CB 3.38Å; N280-D327 PolarHBondContact OD1-N 3.3Å; N280-D327 PolarHBondContact OD1-OD2 3.38Å; R284-D327 WeakPolarHBondContact CD-OD2 3.5Å; R284-D327 HydrophobicContact CG-CB 3.92Å; R284-D327 WeakPolarHBondContact CG-OD2 3.37Å; R284-D327 IonicContact NE-OD2 3.64Å; A325-D327 VanDerWaalsContact C-N 3.3Å; A325-D327 PolarHBondContact O-N 3.46Å
328L96.1Very high95.2Very high0 Ų040.3 Ų40.30%021%0.207CC..SBendtrans-85.5156.9170.9-56.4-177.5000111.4L276 N280 A283 F297 V299 K315 A325 F330L276-L328 HydrophobicContact CB-CD1 4.17Å; L276-L328 WeakPolarHBondContact O-CD1 3.45Å; N280-L328 HydrophobicContact CB-CD1 4.13Å; N280-L328 HydrophobicContact CB-CD2 4.5Å; N280-L328 HydrophobicContact CB-CG 3.97Å; N280-L328 PolarHBondContact OD1-N 3.21Å; A283-L328 HydrophobicContact CB-CD2 4.33Å; F297-L328 HydrophobicContact CB-CD2 3.92Å; F297-L328 HydrophobicContact CD2-CD2 3.81Å; F297-L328 HydrophobicContact CG-CD2 4.25Å; V299-L328 HydrophobicContact CG2-CD1 4.05Å; K315-L328 WeakPolarHBondContact CD-O 3.07Å; K315-L328 PolarHBondContact NZ-O 3.01Å; A325-L328 HydrophobicContact CB-CD1 4.03Å; A325-L328 HydrophobicContact CB-CG 4.36Å; A325-L328 PolarHBondContact O-N 3.37Å; L328-F330 HydrophobicContact CB-CE1 4.24Å; L328-F330 HydrophobicContact CB-CE2 4.3Å; L328-F330 HydrophobicContact CB-CZ 3.81Å
329F97.7Very high95.8Very high47 Ų4735.5 Ų35.521%0.20618%0.177CC..EExtended strand (participates in β ladder)trans-106156.1165.8-60.5-84.7000109.2A296 F297 S298 V299 Y404 L428 Y738A296-F329 HydrophobicContact CB-CD2 4.41Å; A296-F329 HydrophobicContact CB-CE2 3.92Å; F297-F329 PolarHBondContact O-N 2.92Å; S298-F329 CarbonylContact C-O 3.54Å; S298-F329 WeakPolarHBondContact CA-O 3.19Å; V299-F329 PolarHBondContact N-O 3.36Å; F329-Y404 HydrophobicContact CB-CE2 4.12Å; F329-Y404 VanDerWaalsContact CD1-OH 3.24Å; F329-Y404 WeakPolarHBondContact CD1-OH 3.36Å; F329-Y404 WeakPolarHBondContact CG-OH 3.22Å; F329-L428 HydrophobicContact CD2-CD1 3.82Å; F329-L428 HydrophobicContact CE2-CD1 4.37Å; F329-L428 HydrophobicContact CG-CD1 4.48Å; F329-Y738 HydrophobicContact CD1-CE1 4.44Å; F329-Y738 WeakPolarHBondContact CD1-OH 3.42Å; F329-Y738 HydrophobicContact CE1-CE1 4.45Å; F329-Y738 WeakPolarHBondContact CE1-OH 3.47Å
330F98.6Very high96.2Very high5 Ų537 Ų372%0.02217%0.168CC..EExtended strand (participates in β ladder)trans-129.1139.7-173.7-59.7-74.3000110.2L276 V299 F311 L314 K315 A325 L328 P403 Y404L276-F330 HydrophobicContact CD1-CE1 4.42Å; V299-F330 HydrophobicContact CB-CD1 4.24Å; F311-F330 HydrophobicContact CD2-CD1 4.05Å; F311-F330 HydrophobicContact CD2-CE1 4.44Å; F311-F330 HydrophobicContact CE1-CB 3.89Å; F311-F330 HydrophobicContact CE1-CD1 4.14Å; F311-F330 HydrophobicContact CE1-CG 4.41Å; F311-F330 AromaticContact CE2-CD1 3.46Å; F311-F330 HydrophobicContact CE2-CD1 3.46Å; F311-F330 VanDerWaalsContact CE2-CD1 3.46Å; F311-F330 HydrophobicContact CE2-CE1 4.1Å; F311-F330 HydrophobicContact CE2-CG 4.45Å; F311-F330 HydrophobicContact CZ-CB 3.83Å; F311-F330 AromaticContact CZ-CD1 3.52Å; F311-F330 HydrophobicContact CZ-CD1 3.52Å; F311-F330 HydrophobicContact CZ-CG 4.13Å; L314-F330 HydrophobicContact CB-CD2 4.45Å; L314-F330 HydrophobicContact CB-CE1 3.83Å; L314-F330 HydrophobicContact CB-CE2 3.64Å; L314-F330 HydrophobicContact CB-CZ 3.28Å; L314-F330 HydrophobicContact CD1-CD1 4.26Å; L314-F330 HydrophobicContact CD1-CE1 3.42Å; L314-F330 VanDerWaalsContact CD1-CE1 3.42Å; L314-F330 HydrophobicContact CD1-CZ 3.73Å; L314-F330 HydrophobicContact CG-CE1 4.27Å; L314-F330 HydrophobicContact CG-CZ 4.12Å; K315-F330 HydrophobicContact CB-CD2 3.79Å; K315-F330 HydrophobicContact CB-CE2 3.8Å; K315-F330 HydrophobicContact CD-CD2 4.45Å; K315-F330 HydrophobicContact CD-CE2 4.19Å; K315-F330 HydrophobicContact CG-CD2 4.42Å; K315-F330 HydrophobicContact CG-CE2 4.48Å; A325-F330 HydrophobicContact CB-CZ 4.12Å; A325-F330 WeakPolarHBondContact O-CZ 3.47Å; L328-F330 HydrophobicContact CB-CE1 4.24Å; L328-F330 HydrophobicContact CB-CE2 4.3Å; L328-F330 HydrophobicContact CB-CZ 3.81Å; F330-P403 HydrophobicContact CB-CB 4.32Å; F330-P403 CarbonylContact O-C 3.57Å; F330-P403 WeakPolarHBondContact O-CA 3.39Å; F330-P403 WeakPolarHBondContact O-CB 3.33Å; F330-Y404 PolarHBondContact O-N 3.08Å
331A98.9Very high96.7Very high0 Ų031.8 Ų31.80%015%0.145CC..EExtended strand (participates in β ladder)trans-139.9143.5-177.900000110.1V299 Y300 L301 Y404 L406V299-A331 PolarHBondContact O-N 2.87Å; Y300-A331 WeakPolarHBondContact CA-O 3.37Å; Y300-A331 HydrophobicContact CD1-CB 3.51Å; Y300-A331 HydrophobicContact CD2-CB 4.25Å; Y300-A331 HydrophobicContact CE1-CB 3.34Å; Y300-A331 HydrophobicContact CE2-CB 4.12Å; Y300-A331 HydrophobicContact CG-CB 3.95Å; L301-A331 PolarHBondContact N-O 3.13Å; A331-Y404 HydrophobicContact CB-CD2 3.81Å; A331-Y404 HydrophobicContact CB-CG 4.18Å; A331-L406 HydrophobicContact CB-CD1 4.17Å
332L98.9Very high97.2Very high0 Ų026.6 Ų26.60%012%0.121CC..EExtended strand (participates in β ladder)trans-99.6134171.4-64.9177.1000110.3L301 V308 F311 L312 I334 I393 P403 Y404 M405 L406L301-L332 WeakPolarHBondContact O-CA 3.37Å; V308-L332 HydrophobicContact CG2-CD2 4.46Å; F311-L332 HydrophobicContact CD1-CD2 4.46Å; F311-L332 HydrophobicContact CE1-CD2 4.19Å; L312-L332 HydrophobicContact CD2-CD1 4.4Å; L332-I334 HydrophobicContact CB-CD1 3.86Å; L332-I334 HydrophobicContact CB-CG1 3.63Å; L332-I334 HydrophobicContact CD1-CD1 4.41Å; L332-I393 HydrophobicContact CD1-CB 4.42Å; L332-I393 HydrophobicContact CD1-CD1 3.54Å; L332-I393 HydrophobicContact CD1-CG1 3.68Å; L332-I393 HydrophobicContact CD1-CG2 3.86Å; L332-P403 HydrophobicContact CD1-CB 4.49Å; L332-P403 HydrophobicContact CD1-CG 3.75Å; L332-P403 HydrophobicContact CG-CB 3.98Å; L332-P403 HydrophobicContact CG-CG 3.77Å; L332-Y404 PolarHBondContact N-O 3.35Å; L332-M405 HydrophobicContact CD1-SD 4.12Å; L332-L406 PolarHBondContact O-N 2.8Å; L332-L406 VanDerWaalsContact O-N 3.11Å
333W98.9Very high97.5Very high1 Ų123.4 Ų23.40%0.00411%0.106CC..EExtended strand (participates in β ladder)trans-105.292.9173.4-166.8-120.1000108.5Y300 L301 E302 P303 L406 K408 C411 I423 V433Y300-W333 HydrophobicContact CD1-CE3 4.34Å; L301-W333 PolarHBondContact O-N 2.79Å; E302-W333 WeakPolarHBondContact CA-O 3.49Å; E302-W333 HydrophobicContact CG-CB 4.05Å; E302-W333 HydrophobicContact CG-CG 4.39Å; E302-W333 WeakPolarHBondContact CG-O 3.48Å; P303-W333 VanDerWaalsContact CD-O 3.25Å; P303-W333 WeakPolarHBondContact CD-O 3.48Å; W333-L406 HydrophobicContact CE3-CB 3.6Å; W333-L406 HydrophobicContact CE3-CD2 4.18Å; W333-L406 HydrophobicContact CE3-CG 4.49Å; W333-L406 HydrophobicContact CZ3-CB 3.69Å; W333-L406 HydrophobicContact CZ3-CD2 3.74Å; W333-L406 HydrophobicContact CZ3-CG 4.39Å; W333-K408 HydrophobicContact CD2-CB 4.06Å; W333-K408 HydrophobicContact CG-CB 4.03Å; W333-K408 HydrophobicContact CZ2-CB 4.37Å; W333-K408 VanDerWaalsContact NE1-CG 3.29Å; W333-C411 HydrophobicContact CH2-CB 3.34Å; W333-C411 WeakPolarHBondContact CH2-SG 3.44Å; W333-C411 HydrophobicContact CZ2-CB 3.76Å; W333-C411 HydrophobicContact CZ3-CB 4.26Å; W333-I423 HydrophobicContact CH2-CG2 4.38Å; W333-I423 HydrophobicContact CZ2-CG2 4.18Å; W333-I423 WeakPolarHBondContact CZ2-O 3.37Å; W333-I423 PolarHBondContact NE1-O 2.71Å; W333-V433 HydrophobicContact CH2-CG1 4.4Å
334I98.9Very high97.8Very high0 Ų021.8 Ų21.80%011%0.105CC..EExtended strand (participates in β ladder)trans-98.9119.6-158-59.2170.3000110.7P303 L332 F338 M339 M405 L406 Y407 K408P303-I334 HydrophobicContact CG-CG2 4.45Å; L332-I334 HydrophobicContact CB-CD1 3.86Å; L332-I334 HydrophobicContact CB-CG1 3.63Å; L332-I334 HydrophobicContact CD1-CD1 4.41Å; I334-F338 HydrophobicContact CG2-CB 4.21Å; I334-F338 HydrophobicContact CG2-CD1 3.73Å; I334-F338 HydrophobicContact CG2-CG 4.44Å; I334-M339 HydrophobicContact CG2-CG 3.87Å; I334-M339 HydrophobicContact CG2-SD 3.99Å; I334-M405 HydrophobicContact CD1-CE 3.26Å; I334-M405 HydrophobicContact CD1-SD 3.67Å; I334-L406 WeakPolarHBondContact CB-O 3.46Å; I334-L406 PolarHBondContact N-O 2.92Å; I334-Y407 HydrophobicContact CB-CD1 4.36Å; I334-Y407 CarbonylContact O-C 3.51Å; I334-Y407 WeakPolarHBondContact O-CA 3.41Å; I334-K408 WeakPolarHBondContact O-CB 3.39Å; I334-K408 PolarHBondContact O-N 2.83Å
335P98.9Very high97.9Very high0 Ų024.9 Ų24.90%012%0.123CC..  trans-72.8148.2169.330.7-33.7000111.1P303 L337 F338 W348 F367P303-P335 HydrophobicContact CG-CG 4.45Å; P335-L337 PolarHBondContact O-N 3.4Å; P335-L337 VanDerWaalsContact O-N 3.17Å; P335-F338 HydrophobicContact CG-CB 4.21Å; P335-F338 WeakPolarHBondContact O-CB 3.44Å; P335-F338 PolarHBondContact O-N 2.87Å; P335-W348 HydrophobicContact CG-CH2 4.28Å; P335-F367 HydrophobicContact CB-CD1 3.9Å; P335-F367 HydrophobicContact CB-CE1 3.53Å; P335-F367 HydrophobicContact CB-CZ 3.98Å; P335-F367 HydrophobicContact CG-CE1 3.7Å; P335-F367 HydrophobicContact CG-CZ 3.79Å
336D98.9Very high98Very high17 Ų1729.5 Ų29.59%0.09115%0.145CC..Hα-helixtrans-54.4-35.8177.2-73.3-23.7000110.6F338 M339 K340 D409 R413 W728D336-F338 VanDerWaalsContact C-N 3.3Å; D336-F338 PolarHBondContact O-N 3.19Å; D336-M339 PolarHBondContact O-N 2.89Å; D336-M339 VanDerWaalsContact O-N 3.15Å; D336-K340 WeakPolarHBondContact O-CG 3.37Å; D336-K340 PolarHBondContact O-N 2.85Å; D336-D409 HydrophobicContact CB-CB 4.4Å; D336-D409 WeakPolarHBondContact CB-OD2 3.4Å; D336-D409 VanDerWaalsContact CG-OD2 3.3Å; D336-D409 PolarHBondContact N-OD2 3.26Å; D336-D409 VanDerWaalsContact OD2-CB 3.24Å; D336-D409 WeakPolarHBondContact OD2-CB 3.38Å; D336-R413 IonicContact OD2-CZ 2.75Å; D336-R413 IonicContact OD2-NH1 3.78Å; D336-R413 PolarHBondContact OD2-NH1 3.16Å; D336-R413 IonicContact OD2-NH2 3.92Å; D336-R413 PolarHBondContact OD2-NH2 3.29Å; D336-W728 HydrophobicContact CB-CZ2 4.32Å; D336-W728 PolarHBondContact OD1-NE1 2.86Å
337L98.9Very high98.2Very high14 Ų1430 Ų307%0.07315%0.152CC..Hα-helixtrans-56.8-40.4177.5-172.461000113.2P335 K340 R341 W348 F367 E368 Y371P335-L337 PolarHBondContact O-N 3.4Å; P335-L337 VanDerWaalsContact O-N 3.17Å; L337-K340 PolarHBondContact O-N 3.38Å; L337-R341 HydrophobicContact CD1-CG 4.3Å; L337-R341 HydrophobicContact CG-CG 4.43Å; L337-R341 VanDerWaalsContact O-CG 3.28Å; L337-R341 WeakPolarHBondContact O-CG 3.48Å; L337-R341 PolarHBondContact O-N 3.31Å; L337-W348 HydrophobicContact CB-CZ3 4.48Å; L337-W348 HydrophobicContact CD2-CZ3 4.17Å; L337-W348 HydrophobicContact CG-CZ3 4.06Å; L337-F367 HydrophobicContact CB-CE1 4.32Å; L337-F367 HydrophobicContact CD2-CE1 4.31Å; L337-E368 HydrophobicContact CB-CG 3.95Å; L337-E368 HydrophobicContact CD1-CG 4.21Å; L337-E368 HydrophobicContact CD2-CG 4.17Å; L337-E368 HydrophobicContact CG-CG 4.31Å; L337-Y371 HydrophobicContact CD2-CD1 3.46Å; L337-Y371 VanDerWaalsContact CD2-CD1 3.46Å; L337-Y371 HydrophobicContact CD2-CE1 3.9Å; L337-Y371 HydrophobicContact CD2-CG 4.2Å
338F98.9Very high98.4Very high0 Ų026.9 Ų26.90%014%0.135CC..Hα-helixtrans-62.3-47.3178175.1-111.7000110.4P303 I334 P335 D336 K340 R341 V342 W348 L389 W390 I393P303-F338 HydrophobicContact CB-CD1 4.34Å; P303-F338 HydrophobicContact CB-CD2 4.4Å; P303-F338 HydrophobicContact CB-CE1 4.46Å; P303-F338 HydrophobicContact CB-CG 4.29Å; P303-F338 HydrophobicContact CG-CB 4.08Å; P303-F338 HydrophobicContact CG-CD1 4.04Å; P303-F338 HydrophobicContact CG-CD2 4.42Å; P303-F338 HydrophobicContact CG-CG 3.91Å; I334-F338 HydrophobicContact CG2-CB 4.21Å; I334-F338 HydrophobicContact CG2-CD1 3.73Å; I334-F338 HydrophobicContact CG2-CG 4.44Å; P335-F338 HydrophobicContact CG-CB 4.21Å; P335-F338 WeakPolarHBondContact O-CB 3.44Å; P335-F338 PolarHBondContact O-N 2.87Å; D336-F338 VanDerWaalsContact C-N 3.3Å; D336-F338 PolarHBondContact O-N 3.19Å; F338-K340 PolarHBondContact O-N 2.96Å; F338-R341 PolarHBondContact O-N 3.24Å; F338-R341 VanDerWaalsContact O-N 3.17Å; F338-V342 HydrophobicContact CD1-CG2 4.38Å; F338-V342 HydrophobicContact CD2-CG2 4.23Å; F338-V342 HydrophobicContact CE1-CG2 3.99Å; F338-V342 HydrophobicContact CE2-CG2 3.78Å; F338-V342 HydrophobicContact CZ-CG2 3.67Å; F338-V342 WeakPolarHBondContact O-CG2 3.32Å; F338-V342 PolarHBondContact O-N 3.4Å; F338-W348 HydrophobicContact CB-CH2 3.8Å; F338-W348 HydrophobicContact CB-CZ2 3.96Å; F338-W348 HydrophobicContact CB-CZ3 4.13Å; F338-W348 AromaticContact CD2-CD2 3.71Å; F338-W348 HydrophobicContact CD2-CD2 3.71Å; F338-W348 AromaticContact CD2-CE2 3.62Å; F338-W348 HydrophobicContact CD2-CE3 4.13Å; F338-W348 HydrophobicContact CD2-CG 4.07Å; F338-W348 HydrophobicContact CD2-CH2 4.41Å; F338-W348 AromaticContact CD2-CZ2 3.98Å; F338-W348 HydrophobicContact CD2-CZ2 3.98Å; F338-W348 HydrophobicContact CD2-CZ3 4.47Å; F338-W348 AromaticContact CD2-NE1 3.88Å; F338-W348 HydrophobicContact CE2-CD2 4.4Å; F338-W348 HydrophobicContact CE2-CG 4.3Å; F338-W348 HydrophobicContact CG-CZ2 4.34Å; F338-L389 HydrophobicContact CE2-CB 4.19Å; F338-L389 HydrophobicContact CE2-CD2 3.73Å; F338-L389 HydrophobicContact CE2-CG 4.1Å; F338-L389 HydrophobicContact CZ-CB 4.26Å; F338-L389 HydrophobicContact CZ-CD2 4Å; F338-L389 HydrophobicContact CZ-CG 3.97Å; F338-W390 AromaticContact CE1-CE3 3.89Å; F338-W390 HydrophobicContact CE1-CE3 3.89Å; F338-W390 HydrophobicContact CE1-CZ3 4.3Å; F338-W390 HydrophobicContact CZ-CE3 4.33Å; F338-I393 HydrophobicContact CE1-CD1 3.81Å; F338-I393 HydrophobicContact CZ-CD1 3.86Å
339M98.8Very high98.6Very high0 Ų027.2 Ų27.20%014%0.137CC..Hα-helixtrans-60.5-44.2177.7-61.4-59.6-67.400111.5I334 D336 R341 V342 E343 W390 Y407 F725 W728I334-M339 HydrophobicContact CG2-CG 3.87Å; I334-M339 HydrophobicContact CG2-SD 3.99Å; D336-M339 PolarHBondContact O-N 2.89Å; D336-M339 VanDerWaalsContact O-N 3.15Å; M339-R341 VanDerWaalsContact C-N 3.33Å; M339-R341 PolarHBondContact O-N 2.78Å; M339-V342 PolarHBondContact O-N 2.83Å; M339-E343 PolarHBondContact O-N 2.77Å; M339-W390 HydrophobicContact CE-CH2 4Å; M339-W390 HydrophobicContact CE-CZ3 4.09Å; M339-W390 HydrophobicContact SD-CH2 4.31Å; M339-W390 HydrophobicContact SD-CZ3 3.8Å; M339-Y407 HydrophobicContact CE-CE1 4.2Å; M339-Y407 HydrophobicContact CG-CD1 4.5Å; M339-Y407 HydrophobicContact CG-CE1 4.3Å; M339-Y407 HydrophobicContact SD-CE1 4.18Å; M339-F725 HydrophobicContact CB-CE1 4.41Å; M339-F725 HydrophobicContact CE-CD1 4.01Å; M339-F725 HydrophobicContact CE-CD2 4.12Å; M339-F725 HydrophobicContact CE-CE1 3.83Å; M339-F725 HydrophobicContact CE-CE2 3.98Å; M339-F725 HydrophobicContact CE-CG 4.15Å; M339-F725 HydrophobicContact CE-CZ 3.83Å; M339-F725 WeakPolarHBondContact O-CE1 3.46Å; M339-W728 HydrophobicContact CB-CD2 3.69Å; M339-W728 HydrophobicContact CB-CE3 3.89Å; M339-W728 HydrophobicContact CB-CG 4.34Å; M339-W728 HydrophobicContact CB-CH2 3.86Å; M339-W728 HydrophobicContact CB-CZ2 3.65Å; M339-W728 HydrophobicContact CB-CZ3 3.98Å; M339-W728 HydrophobicContact CE-CB 4.07Å; M339-W728 HydrophobicContact CE-CD2 4.26Å; M339-W728 HydrophobicContact CE-CE3 4.31Å; M339-W728 HydrophobicContact CE-CG 4.15Å; M339-W728 HydrophobicContact CG-CD2 3.97Å; M339-W728 HydrophobicContact CG-CG 4.08Å
340K98.8Very high98.6Very high87 Ų8725 Ų2538%0.37813%0.128SC..Hα-helixtrans-58-42.6174.6-68.6170.9-174.7172.30112D336 L337 F338 E343 S344 E368 W728D336-K340 WeakPolarHBondContact O-CG 3.37Å; D336-K340 PolarHBondContact O-N 2.85Å; L337-K340 PolarHBondContact O-N 3.38Å; F338-K340 PolarHBondContact O-N 2.96Å; K340-E343 PolarHBondContact O-N 2.99Å; K340-S344 WeakPolarHBondContact O-CB 3.43Å; K340-S344 PolarHBondContact O-N 2.97Å; K340-S344 PolarHBondContact O-OG 3.38Å; K340-E368 IonicContact NZ-OE1 3.7Å; K340-E368 PolarHBondContact NZ-OE1 3.26Å; K340-E368 IonicContact NZ-OE2 3.68Å; K340-W728 HydrophobicContact CG-CH2 3.99Å; K340-W728 HydrophobicContact CG-CZ2 4.21Å
341R98.6Very high98.6Very high26 Ų2624.7 Ų24.710%0.09813%0.126CC..Hα-helixtrans-72.6-33.4-180-68-136.9-177.1159.77.6113.1L337 F338 M339 N345 Q346 D347 W348 E375 A386L337-R341 HydrophobicContact CD1-CG 4.3Å; L337-R341 HydrophobicContact CG-CG 4.43Å; L337-R341 VanDerWaalsContact O-CG 3.28Å; L337-R341 WeakPolarHBondContact O-CG 3.48Å; L337-R341 PolarHBondContact O-N 3.31Å; F338-R341 PolarHBondContact O-N 3.24Å; F338-R341 VanDerWaalsContact O-N 3.17Å; M339-R341 VanDerWaalsContact C-N 3.33Å; M339-R341 PolarHBondContact O-N 2.78Å; R341-N345 PolarHBondContact O-N 2.87Å; R341-Q346 HydrophobicContact CB-CB 4.06Å; R341-Q346 HydrophobicContact CG-CB 4.13Å; R341-Q346 PolarHBondContact O-N 2.85Å; R341-D347 WeakPolarHBondContact CD-O 3.26Å; R341-D347 PolarHBondContact NH1-O 3.29Å; R341-W348 HydrophobicContact CB-CE3 4.46Å; R341-W348 HydrophobicContact CG-CE3 4.43Å; R341-E375 IonicContact CZ-OE1 3.16Å; R341-E375 IonicContact CZ-OE2 2.79Å; R341-E375 IonicContact NH1-OE1 3.85Å; R341-E375 PolarHBondContact NH1-OE1 3.43Å; R341-E375 IonicContact NH1-OE2 2.7Å; R341-E375 PolarHBondContact NH1-OE2 2.94Å; R341-E375 IonicContact NH2-OE1 2.83Å; R341-E375 IonicContact NH2-OE2 3.91Å; R341-E375 PolarHBondContact NH2-OE2 2.95Å; R341-A386 HydrophobicContact CB-CB 3.82Å
342V98.5Very high98.6Very high0 Ų024.8 Ų24.80%013%0.127CC..Hα-helixtrans-64.6-47.9171.9173.30000110.4F338 M339 S344 N345 A386 Q387 W390 F725F338-V342 HydrophobicContact CD1-CG2 4.38Å; F338-V342 HydrophobicContact CD2-CG2 4.23Å; F338-V342 HydrophobicContact CE1-CG2 3.99Å; F338-V342 HydrophobicContact CE2-CG2 3.78Å; F338-V342 HydrophobicContact CZ-CG2 3.67Å; F338-V342 WeakPolarHBondContact O-CG2 3.32Å; F338-V342 PolarHBondContact O-N 3.4Å; M339-V342 PolarHBondContact O-N 2.83Å; V342-S344 PolarHBondContact O-N 2.68Å; V342-N345 PolarHBondContact O-N 2.85Å; V342-A386 HydrophobicContact CB-CB 4.46Å; V342-A386 HydrophobicContact CG2-CB 3.83Å; V342-Q387 HydrophobicContact CG1-CG 4.21Å; V342-Q387 WeakPolarHBondContact O-CG 3.18Å; V342-Q387 PolarHBondContact O-NE2 2.92Å; V342-W390 HydrophobicContact CG1-CB 3.85Å; V342-W390 HydrophobicContact CG1-CD2 3.95Å; V342-W390 HydrophobicContact CG1-CE3 4.37Å; V342-W390 HydrophobicContact CG1-CG 3.69Å; V342-W390 HydrophobicContact CG2-CB 4.02Å; V342-W390 HydrophobicContact CG2-CE3 4.35Å; V342-W390 HydrophobicContact CG2-CG 4.48Å; V342-F725 HydrophobicContact CB-CZ 3.86Å; V342-F725 HydrophobicContact CG1-CE2 3.82Å; V342-F725 HydrophobicContact CG1-CZ 3.56Å
343E97.8Very high98.5Very high54 Ų5425.1 Ų25.125%0.25213%0.129SC..Hα-helixtrans-62.3-40.7179-174.2172.5-150.500112.2M339 K340 N345 F725 K729 K785M339-E343 PolarHBondContact O-N 2.77Å; K340-E343 PolarHBondContact O-N 2.99Å; E343-N345 VanDerWaalsContact C-N 3.33Å; E343-F725 HydrophobicContact CB-CE1 3.77Å; E343-F725 HydrophobicContact CB-CZ 4.28Å; E343-K729 IonicContact OE1-NZ 3.79Å; E343-K729 PolarHBondContact OE1-NZ 3.01Å; E343-K729 IonicContact OE2-NZ 3.82Å; E343-K785 IonicContact OE1-NZ 2.69Å
344S97.7Very high98.4Very high63 Ų6327.9 Ų27.944%0.44115%0.148SC..THydrogen-bonded Turntrans-87.85-179.358.40000114.7K340 V342 Q346K340-S344 WeakPolarHBondContact O-CB 3.43Å; K340-S344 PolarHBondContact O-N 2.97Å; K340-S344 PolarHBondContact O-OG 3.38Å; V342-S344 PolarHBondContact O-N 2.68Å; S344-Q346 PolarHBondContact O-N 3Å; S344-Q346 VanDerWaalsContact OG-CD 3.29Å; S344-Q346 WeakPolarHBondContact OG-CG 3.41Å
345N97.3Very high98.3Very high82 Ų8230.9 Ų30.944%0.43916%0.162SC..THydrogen-bonded Turntrans52.539.4-178.2-166.323.6000114R341 V342 E343R341-N345 PolarHBondContact O-N 2.87Å; V342-N345 PolarHBondContact O-N 2.85Å; E343-N345 VanDerWaalsContact C-N 3.33Å
346Q98.4Very high98.2Very high97 Ų9730.9 Ų30.945%0.45316%0.162SC..  trans-87.5172.3178.5-71.1180-6.300112R341 S344 A386R341-Q346 HydrophobicContact CB-CB 4.06Å; R341-Q346 HydrophobicContact CG-CB 4.13Å; R341-Q346 PolarHBondContact O-N 2.85Å; S344-Q346 PolarHBondContact O-N 3Å; S344-Q346 VanDerWaalsContact OG-CD 3.29Å; S344-Q346 WeakPolarHBondContact OG-CG 3.41Å; Q346-A386 VanDerWaalsContact O-CB 3.28Å; Q346-A386 WeakPolarHBondContact O-CB 3.5Å; Q346-A386 PolarHBondContact O-N 3.03Å
347D98.7Very high98.2Very high72 Ų7233.3 Ų33.339%0.38518%0.179SC..EExtended strand (participates in β ladder)trans-76.8151.3173.8-65.5-16.9000111.1R341 V383 V384 K385R341-D347 WeakPolarHBondContact CD-O 3.26Å; R341-D347 PolarHBondContact NH1-O 3.29Å; D347-V383 HydrophobicContact CB-CG1 3.75Å; D347-V384 CarbonylContact C-O 3.56Å; D347-V384 WeakPolarHBondContact CA-O 3.1Å; D347-K385 VanDerWaalsContact OD1-CD 3.32Å; D347-K385 WeakPolarHBondContact OD1-CD 3.4Å; D347-K385 VanDerWaalsContact OD1-CE 3.24Å; D347-K385 WeakPolarHBondContact OD1-CE 3.48Å; D347-K385 IonicContact OD1-NZ 3.11Å; D347-K385 PolarHBondContact OD1-NZ 3.16Å
348W98.8Very high98.1Very high0 Ų033.9 Ų33.90%019%0.189CC..EExtended strand (participates in β ladder)trans-127.6125.7177-173.3-114.1000109.7P303 W304 P335 L337 F338 R341 Y371 V384 A386P303-W348 HydrophobicContact CG-CZ2 4.36Å; P303-W348 PolarHBondContact O-NE1 3.08Å; W304-W348 HydrophobicContact CB-CH2 4.49Å; W304-W348 HydrophobicContact CB-CZ2 3.66Å; P335-W348 HydrophobicContact CG-CH2 4.28Å; L337-W348 HydrophobicContact CB-CZ3 4.48Å; L337-W348 HydrophobicContact CD2-CZ3 4.17Å; L337-W348 HydrophobicContact CG-CZ3 4.06Å; F338-W348 HydrophobicContact CB-CH2 3.8Å; F338-W348 HydrophobicContact CB-CZ2 3.96Å; F338-W348 HydrophobicContact CB-CZ3 4.13Å; F338-W348 AromaticContact CD2-CD2 3.71Å; F338-W348 HydrophobicContact CD2-CD2 3.71Å; F338-W348 AromaticContact CD2-CE2 3.62Å; F338-W348 HydrophobicContact CD2-CE3 4.13Å; F338-W348 HydrophobicContact CD2-CG 4.07Å; F338-W348 HydrophobicContact CD2-CH2 4.41Å; F338-W348 AromaticContact CD2-CZ2 3.98Å; F338-W348 HydrophobicContact CD2-CZ2 3.98Å; F338-W348 HydrophobicContact CD2-CZ3 4.47Å; F338-W348 AromaticContact CD2-NE1 3.88Å; F338-W348 HydrophobicContact CE2-CD2 4.4Å; F338-W348 HydrophobicContact CE2-CG 4.3Å; F338-W348 HydrophobicContact CG-CZ2 4.34Å; R341-W348 HydrophobicContact CB-CE3 4.46Å; R341-W348 HydrophobicContact CG-CE3 4.43Å; W348-Y371 VanDerWaalsContact CD2-OH 3.23Å; W348-Y371 HydrophobicContact CE3-CE1 4.17Å; W348-Y371 AromaticContact CE3-CZ 3.92Å; W348-Y371 HydrophobicContact CH2-CE1 4.21Å; W348-Y371 HydrophobicContact CH2-CE2 4.16Å; W348-Y371 AromaticContact CH2-CZ 3.79Å; W348-Y371 HydrophobicContact CZ2-CE2 4.37Å; W348-Y371 AromaticContact CZ3-CE1 3.75Å; W348-Y371 HydrophobicContact CZ3-CE1 3.75Å; W348-Y371 HydrophobicContact CZ3-CE2 4.46Å; W348-Y371 AromaticContact CZ3-CZ 3.65Å; W348-Y371 WeakPolarHBondContact CZ3-OH 3.45Å; W348-V384 HydrophobicContact CB-CG2 4.24Å; W348-V384 PolarHBondContact N-O 3.19Å; W348-V384 PolarHBondContact O-N 2.99Å; W348-A386 HydrophobicContact CB-CB 3.97Å
349S98.8Very high98Very high6 Ų633.9 Ų33.94%0.04219%0.189CC..EExtended strand (participates in β ladder)trans-94.9119-176.3-66.30000110.9Y371 E375S349-Y371 WeakPolarHBondContact CA-OH 3.32Å; S349-Y371 WeakPolarHBondContact CB-OH 3.11Å; S349-Y371 PolarHBondContact N-OH 2.87Å; S349-Y371 PolarHBondContact O-OH 3.37Å; S349-E375 VanDerWaalsContact CB-OE1 3.25Å; S349-E375 WeakPolarHBondContact CB-OE1 3.45Å; S349-E375 WeakPolarHBondContact OG-CG 3.45Å; S349-E375 PolarHBondContact OG-OE1 3.43Å
350L98.8Very high98Very high0 Ų034.5 Ų34.50%019%0.192CC..EExtended strand (participates in β ladder)trans-88127.1173.8-54.7-173.4000110.5W304 A306 V308 F309 V380 K381 R382 V384 L389W304-L350 CarbonylContact O-C 3.57Å; W304-L350 VanDerWaalsContact O-CA 3.24Å; W304-L350 WeakPolarHBondContact O-CA 3.48Å; A306-L350 HydrophobicContact CB-CB 4.35Å; V308-L350 HydrophobicContact CG1-CD1 4.27Å; V308-L350 HydrophobicContact CG1-CD2 3.93Å; F309-L350 HydrophobicContact CD2-CD1 4.09Å; F309-L350 HydrophobicContact CE2-CD1 4.01Å; L350-V380 WeakPolarHBondContact O-CG1 2.97Å; L350-K381 WeakPolarHBondContact O-CB 3.26Å; L350-K381 PolarHBondContact O-N 3.23Å; L350-R382 WeakPolarHBondContact CA-O 3.47Å; L350-R382 HydrophobicContact CB-CB 4.36Å; L350-R382 VanDerWaalsContact CB-O 3.32Å; L350-R382 WeakPolarHBondContact CB-O 3.17Å; L350-R382 HydrophobicContact CD1-CB 4.39Å; L350-R382 VanDerWaalsContact CD1-NE 3.35Å; L350-R382 PolarHBondContact N-O 2.72Å; L350-R382 PolarHBondContact O-N 2.93Å; L350-V384 HydrophobicContact CD1-CG1 4.5Å; L350-V384 HydrophobicContact CG-CG2 4.45Å; L350-L389 HydrophobicContact CD2-CD2 4.43Å
351M98.7Very high98Very high0 Ų035.1 Ų35.10%020%0.196CC..BIsolated β-bridgetrans-123.3155.2-171.1-63.2178-179.200111.2W304 A306 C356 L359 Y371 Y374 E375 V380W304-M351 HydrophobicContact CE3-CB 4.24Å; W304-M351 PolarHBondContact O-N 3.44Å; A306-M351 WeakPolarHBondContact CB-O 3.41Å; A306-M351 PolarHBondContact N-O 3.36Å; M351-C356 HydrophobicContact CB-CB 4.01Å; M351-C356 HydrophobicContact CG-CB 4.44Å; M351-C356 HydrophobicContact SD-CB 3.96Å; M351-C356 VanDerWaalsContact SD-SG 3.61Å; M351-L359 HydrophobicContact SD-CD1 3.74Å; M351-Y371 HydrophobicContact CE-CD2 3.79Å; M351-Y371 HydrophobicContact CE-CE2 3.68Å; M351-Y371 HydrophobicContact CE-CG 4.35Å; M351-Y371 HydrophobicContact SD-CD2 3.81Å; M351-Y371 HydrophobicContact SD-CE2 3.85Å; M351-Y374 HydrophobicContact SD-CD2 4.26Å; M351-E375 HydrophobicContact CE-CG 3.66Å; M351-V380 HydrophobicContact CE-CG2 4.03Å
352C98.3Very high97.9Very high1 Ų134 Ų341%0.00719%0.193CC..  trans-99.3131.5168.1178.20000109A257 S260 S354 E355 C356 K381A257-C352 HydrophobicContact CB-CB 4.18Å; A257-C352 PolarHBondContact N-SG 2.9Å; S260-C352 PolarHBondContact OG-SG 3.44Å; C352-S354 PolarHBondContact O-N 3.07Å; C352-S354 PolarHBondContact SG-OG 2.87Å; C352-E355 HydrophobicContact CB-CB 4.41Å; C352-E355 CarbonylContact O-C 3.49Å; C352-E355 WeakPolarHBondContact O-CA 3.29Å; C352-E355 PolarHBondContact O-N 3.45Å; C352-C356 PolarHBondContact O-N 3.14Å; C352-K381 HydrophobicContact CB-CG 4.11Å
353P97.5Very high97.9Very high8 Ų836.8 Ų36.85%0.05220%0.203CC..THydrogen-bonded Turntrans-61.2-27.3-178.925.1-35.9000113.4S253 C254 I255 W304 E355 C356 P357S253-P353 WeakPolarHBondContact O-CB 3.5Å; S253-P353 WeakPolarHBondContact O-CG 3.49Å; C254-P353 WeakPolarHBondContact O-CG 3.38Å; I255-P353 VanDerWaalsContact C-CG 3.48Å; I255-P353 WeakPolarHBondContact O-CG 3.47Å; W304-P353 HydrophobicContact CH2-CB 4.21Å; W304-P353 HydrophobicContact CZ3-CB 4.33Å; P353-E355 PolarHBondContact O-N 3.14Å; P353-C356 CarbonylContact O-C 3.57Å; P353-C356 VanDerWaalsContact O-C 3.31Å; P353-C356 PolarHBondContact O-N 3.25Å; P353-P357 VanDerWaalsContact O-CA 3.25Å; P353-P357 WeakPolarHBondContact O-CA 3.47Å; P353-P357 VanDerWaalsContact O-N 3.11Å
354S95.9Very high98Very high58 Ų5834.4 Ų34.441%0.40619%0.193SC..THydrogen-bonded Turntrans-68.3-25.6174.170.80000113C352C352-S354 PolarHBondContact O-N 3.07Å; C352-S354 PolarHBondContact SG-OG 2.87Å
355E96.9Very high98Very high63 Ų6339 Ų3929%0.29421%0.208SC..THydrogen-bonded Turntrans-98.3-17.7176.6-73170.3-15700112.2C352 P353 R379 K381C352-E355 HydrophobicContact CB-CB 4.41Å; C352-E355 CarbonylContact O-C 3.49Å; C352-E355 WeakPolarHBondContact O-CA 3.29Å; C352-E355 PolarHBondContact O-N 3.45Å; P353-E355 PolarHBondContact O-N 3.14Å; E355-R379 PolarHBondContact O-NE 2.74Å; E355-R379 PolarHBondContact O-NH2 3.07Å; E355-K381 VanDerWaalsContact CD-CE 3.43Å; E355-K381 WeakPolarHBondContact OE1-CE 3.35Å; E355-K381 IonicContact OE1-NZ 2.7Å; E355-K381 PolarHBondContact OE1-NZ 3.43Å; E355-K381 WeakPolarHBondContact OE2-CE 3.4Å; E355-K381 IonicContact OE2-NZ 3.43Å; E355-K381 PolarHBondContact OE2-NZ 2.76Å
356C97.9Very high98.1Very high0 Ų041.2 Ų41.20%022%0.215CC..SBendtrans-136.664.8-178.9-67.10000110.2M351 C352 P353 L359 Y374 R379M351-C356 HydrophobicContact CB-CB 4.01Å; M351-C356 HydrophobicContact CG-CB 4.44Å; M351-C356 HydrophobicContact SD-CB 3.96Å; M351-C356 VanDerWaalsContact SD-SG 3.61Å; C352-C356 PolarHBondContact O-N 3.14Å; P353-C356 CarbonylContact O-C 3.57Å; P353-C356 VanDerWaalsContact O-C 3.31Å; P353-C356 PolarHBondContact O-N 3.25Å; C356-L359 HydrophobicContact CB-CD1 3.92Å; C356-Y374 HydrophobicContact CB-CD2 3.46Å; C356-Y374 VanDerWaalsContact CB-CD2 3.46Å; C356-Y374 HydrophobicContact CB-CE2 3.58Å; C356-Y374 HydrophobicContact CB-CG 4.13Å; C356-R379 PolarHBondContact SG-O 2.92Å
357P97.4Very high98.1Very high69 Ų6936.6 Ų36.645%0.44819%0.194SC..THydrogen-bonded Turntrans-69.9151.8-172.929.6-36.4000112.3P353 Y374P353-P357 VanDerWaalsContact O-CA 3.25Å; P353-P357 WeakPolarHBondContact O-CA 3.47Å; P353-P357 VanDerWaalsContact O-N 3.11Å; P357-Y374 PolarHBondContact O-OH 3.34Å
358G96.8Very high98.1Very high26 Ų2635.3 Ų35.327%0.26819%0.185SC..THydrogen-bonded Turntrans87.6-2.5172.900000115.4D360 E361 C362G358-D360 PolarHBondContact O-N 3.22Å; G358-E361 PolarHBondContact O-N 3.1Å; G358-C362 PolarHBondContact O-N 2.96Å; G358-C362 PolarHBondContact O-SG 2.84Å
359L98.4Very high98.1Very high0 Ų041.7 Ų41.70%022%0.215CC..THydrogen-bonded Turntrans-61.6-32.1173.9-74.1174.5000112.8W304 M351 C356 E361 F367 L370 Y371 Y374 K408W304-L359 HydrophobicContact CD2-CB 4.44Å; W304-L359 HydrophobicContact CD2-CD1 3.93Å; W304-L359 HydrophobicContact CE3-CD1 3.94Å; W304-L359 HydrophobicContact CG-CD1 4.47Å; W304-L359 HydrophobicContact CH2-CB 4.07Å; W304-L359 HydrophobicContact CH2-CD1 4.44Å; W304-L359 HydrophobicContact CZ2-CB 3.6Å; W304-L359 HydrophobicContact CZ2-CD1 4.41Å; W304-L359 HydrophobicContact CZ3-CD1 4.21Å; M351-L359 HydrophobicContact SD-CD1 3.74Å; C356-L359 HydrophobicContact CB-CD1 3.92Å; L359-E361 VanDerWaalsContact C-N 3.31Å; L359-F367 HydrophobicContact CB-CD2 4.49Å; L359-F367 HydrophobicContact CB-CE2 4.08Å; L359-F367 HydrophobicContact CD2-CD2 3.99Å; L359-F367 HydrophobicContact CD2-CE2 3.74Å; L359-F367 HydrophobicContact CD2-CZ 4.43Å; L359-F367 HydrophobicContact CG-CE2 4.43Å; L359-F367 WeakPolarHBondContact O-CD2 3.43Å; L359-L370 HydrophobicContact CD2-CB 4.32Å; L359-L370 HydrophobicContact CD2-CD2 3.93Å; L359-L370 HydrophobicContact CD2-CG 3.83Å; L359-L370 HydrophobicContact CG-CD2 4.34Å; L359-Y371 HydrophobicContact CD1-CD2 4.3Å; L359-Y371 HydrophobicContact CD2-CD2 4.24Å; L359-Y374 HydrophobicContact CD1-CD2 4.3Å; L359-Y374 HydrophobicContact CD2-CD2 4.34Å; L359-Y374 HydrophobicContact CD2-CE2 4.44Å; L359-Y374 HydrophobicContact CG-CD2 4.32Å; L359-Y374 HydrophobicContact CG-CE2 4.2Å; L359-K408 PolarHBondContact O-NZ 3.16Å
360D97.7Very high98.1Very high13 Ų1342.5 Ų42.57%0.0722%0.219CC..THydrogen-bonded Turntrans-81.8-8174.467.5-56000113.7E302 G358 K424E302-D360 WeakPolarHBondContact OE1-CA 3.22Å; G358-D360 PolarHBondContact O-N 3.22Å; D360-K424 IonicContact OD2-NZ 3.63Å; D360-K424 PolarHBondContact OD2-NZ 2.85Å
361E98Very high98.1Very high100 Ų10042.5 Ų42.547%0.46722%0.219SC..THydrogen-bonded Turntrans-102.4-2.9-178.2-61.6-70.8-172.300113.4G358 L359 T422 K424G358-E361 PolarHBondContact O-N 3.1Å; L359-E361 VanDerWaalsContact C-N 3.31Å; E361-T422 WeakPolarHBondContact O-CB 3.25Å; E361-T422 PolarHBondContact O-OG1 2.75Å; E361-K424 VanDerWaalsContact CD-CE 3.41Å; E361-K424 WeakPolarHBondContact OE1-CE 3.35Å; E361-K424 IonicContact OE1-NZ 2.68Å; E361-K424 PolarHBondContact OE1-NZ 3.33Å; E361-K424 WeakPolarHBondContact OE2-CE 3.15Å; E361-K424 IonicContact OE2-NZ 2.78Å; E361-K424 PolarHBondContact OE2-NZ 3.44Å
362C98.3Very high98.1Very high3 Ų344.3 Ų44.32%0.0223%0.23CC..  trans-130.5163.5176.359.90000111G358 E366 K408G358-C362 PolarHBondContact O-N 2.96Å; G358-C362 PolarHBondContact O-SG 2.84Å; C362-E366 HydrophobicContact CB-CB 4.18Å; C362-E366 HydrophobicContact CB-CG 3.77Å; C362-K408 WeakPolarHBondContact O-CE 3.44Å; C362-K408 PolarHBondContact O-NZ 3.08Å
363W98.8Very high98.1Very high58 Ų5850.3 Ų50.322%0.2225%0.252CS..  trans-148.6168-179.263.7-87.1000110.5E365 F367 K408 D409 N412 R413 T422W363-E365 PolarHBondContact O-N 3.37Å; W363-F367 PolarHBondContact O-N 3.26Å; W363-K408 HydrophobicContact CB-CG 4.41Å; W363-D409 WeakPolarHBondContact CB-OD1 3.45Å; W363-N412 HydrophobicContact CB-CB 4.07Å; W363-N412 HydrophobicContact CD2-CB 3.44Å; W363-N412 VanDerWaalsContact CD2-CB 3.44Å; W363-N412 HydrophobicContact CE3-CB 3.97Å; W363-N412 HydrophobicContact CG-CB 3.46Å; W363-N412 VanDerWaalsContact CG-CB 3.46Å; W363-N412 HydrophobicContact CZ2-CB 4.41Å; W363-R413 HydrophobicContact CE3-CB 4.42Å; W363-R413 HydrophobicContact CH2-CB 3.88Å; W363-R413 HydrophobicContact CH2-CG 4.17Å; W363-R413 HydrophobicContact CZ3-CB 3.56Å; W363-R413 HydrophobicContact CZ3-CG 4.02Å; W363-T422 HydrophobicContact CB-CG2 4.47Å
364G98.4Very high98.1Very high4 Ų450.7 Ų50.74%0.04125%0.253CS..Hα-helixtrans59.1-135.2178.200000113E366 F367 E368 D409G364-E366 VanDerWaalsContact C-N 3.34Å; G364-E366 PolarHBondContact O-N 3.43Å; G364-F367 WeakPolarHBondContact O-CB 3.33Å; G364-F367 PolarHBondContact O-N 2.91Å; G364-E368 WeakPolarHBondContact O-CG 3.34Å; G364-E368 PolarHBondContact O-N 3.44Å; G364-D409 PolarHBondContact N-OD1 3.47Å
365E98.4Very high98.3Very high160 Ų16050 Ų5075%0.74824%0.243SC*.Hα-helixtrans-61.7-39.6-176-64.9-179.8174.900112.7W363 F367 E368 E369W363-E365 PolarHBondContact O-N 3.37Å; E365-F367 VanDerWaalsContact C-N 3.3Å; E365-F367 PolarHBondContact O-N 3.15Å; E365-E368 PolarHBondContact O-N 3.26Å; E365-E368 VanDerWaalsContact O-N 3.12Å; E365-E369 WeakPolarHBondContact O-CG 3.39Å; E365-E369 PolarHBondContact O-N 2.81Å
366E98.7Very high98.3Very high128 Ų12855.6 Ų55.660%0.59827%0.267SS*.Hα-helixtrans-61.5-40177.8-173.3-178.9-176.700111.6C362 G364 L370C362-E366 HydrophobicContact CB-CB 4.18Å; C362-E366 HydrophobicContact CB-CG 3.77Å; G364-E366 VanDerWaalsContact C-N 3.34Å; G364-E366 PolarHBondContact O-N 3.43Å; E366-L370 VanDerWaalsContact O-CB 3.29Å; E366-L370 WeakPolarHBondContact O-CB 3.41Å; E366-L370 PolarHBondContact O-N 3.41Å
367F98.8Very high98.3Very high0 Ų060.3 Ų60.30%029%0.289CS..Hα-helixtrans-64.2-45.4173.2172.6-88.7000111.7W304 P335 L337 L359 W363 G364 E365 E369 L370 Y371W304-F367 AromaticContact CD1-CE2 3.79Å; W304-F367 AromaticContact CD1-CZ 3.61Å; W304-F367 AromaticContact NE1-CE2 3.64Å; W304-F367 AromaticContact NE1-CZ 3.96Å; P335-F367 HydrophobicContact CB-CD1 3.9Å; P335-F367 HydrophobicContact CB-CE1 3.53Å; P335-F367 HydrophobicContact CB-CZ 3.98Å; P335-F367 HydrophobicContact CG-CE1 3.7Å; P335-F367 HydrophobicContact CG-CZ 3.79Å; L337-F367 HydrophobicContact CB-CE1 4.32Å; L337-F367 HydrophobicContact CD2-CE1 4.31Å; L359-F367 HydrophobicContact CB-CD2 4.49Å; L359-F367 HydrophobicContact CB-CE2 4.08Å; L359-F367 HydrophobicContact CD2-CD2 3.99Å; L359-F367 HydrophobicContact CD2-CE2 3.74Å; L359-F367 HydrophobicContact CD2-CZ 4.43Å; L359-F367 HydrophobicContact CG-CE2 4.43Å; L359-F367 WeakPolarHBondContact O-CD2 3.43Å; W363-F367 PolarHBondContact O-N 3.26Å; G364-F367 WeakPolarHBondContact O-CB 3.33Å; G364-F367 PolarHBondContact O-N 2.91Å; E365-F367 VanDerWaalsContact C-N 3.3Å; E365-F367 PolarHBondContact O-N 3.15Å; F367-E369 VanDerWaalsContact C-N 3.34Å; F367-E369 PolarHBondContact O-N 3.05Å; F367-L370 PolarHBondContact O-N 3.06Å; F367-Y371 HydrophobicContact CE1-CG 4.42Å; F367-Y371 HydrophobicContact CZ-CD2 4.16Å; F367-Y371 HydrophobicContact CZ-CG 4.36Å; F367-Y371 WeakPolarHBondContact O-CB 3.34Å; F367-Y371 PolarHBondContact O-N 3.06Å
368E98.7Very high98.3Very high44 Ų4459.8 Ų59.821%0.20630%0.296CS..Hα-helixtrans-61.2-42.9-179.9-68.5-169.3-160.700111.8L337 K340 G364 E365 T372L337-E368 HydrophobicContact CB-CG 3.95Å; L337-E368 HydrophobicContact CD1-CG 4.21Å; L337-E368 HydrophobicContact CD2-CG 4.17Å; L337-E368 HydrophobicContact CG-CG 4.31Å; K340-E368 IonicContact NZ-OE1 3.7Å; K340-E368 PolarHBondContact NZ-OE1 3.26Å; K340-E368 IonicContact NZ-OE2 3.68Å; G364-E368 WeakPolarHBondContact O-CG 3.34Å; G364-E368 PolarHBondContact O-N 3.44Å; E365-E368 PolarHBondContact O-N 3.26Å; E365-E368 VanDerWaalsContact O-N 3.12Å; E368-T372 WeakPolarHBondContact O-CB 3.46Å; E368-T372 WeakPolarHBondContact O-CG2 3.29Å; E368-T372 PolarHBondContact O-N 2.97Å; E368-T372 PolarHBondContact O-OG1 3.15Å
369E98.7Very high98.3Very high135 Ų13562.6 Ų62.663%0.63130%0.299SS*.Hα-helixtrans-64.4-47.8175.6-71.2-177.6177.300112E365 F367 T372 R373E365-E369 WeakPolarHBondContact O-CG 3.39Å; E365-E369 PolarHBondContact O-N 2.81Å; F367-E369 VanDerWaalsContact C-N 3.34Å; F367-E369 PolarHBondContact O-N 3.05Å; E369-T372 PolarHBondContact O-OG1 3.29Å; E369-R373 VanDerWaalsContact O-CB 3.29Å; E369-R373 WeakPolarHBondContact O-CB 3.39Å; E369-R373 PolarHBondContact O-N 3.44Å
370L98.8Very high98.2Very high22 Ų2264.3 Ų64.312%0.11531%0.309CS..Hα-helixtrans-61.4-48.6179.4179.559.9000111.7L359 E366 F367 R373 Y374L359-L370 HydrophobicContact CD2-CB 4.32Å; L359-L370 HydrophobicContact CD2-CD2 3.93Å; L359-L370 HydrophobicContact CD2-CG 3.83Å; L359-L370 HydrophobicContact CG-CD2 4.34Å; E366-L370 VanDerWaalsContact O-CB 3.29Å; E366-L370 WeakPolarHBondContact O-CB 3.41Å; E366-L370 PolarHBondContact O-N 3.41Å; F367-L370 PolarHBondContact O-N 3.06Å; L370-R373 WeakPolarHBondContact O-CB 3.24Å; L370-R373 PolarHBondContact O-N 2.86Å; L370-Y374 HydrophobicContact CD1-CD2 4.29Å; L370-Y374 HydrophobicContact CD1-CE1 4.19Å; L370-Y374 HydrophobicContact CD1-CE2 3.6Å; L370-Y374 HydrophobicContact CD2-CE2 4.3Å; L370-Y374 HydrophobicContact CG-CD2 4.26Å; L370-Y374 HydrophobicContact CG-CE2 3.75Å; L370-Y374 PolarHBondContact O-N 2.88Å; L370-Y374 VanDerWaalsContact O-N 3.12Å
371Y98.8Very high98.2Very high0 Ų067.7 Ų67.70%032%0.323CS..Hα-helixtrans-62.9-49.4-179.1179.7-94.6000111.4W304 L337 W348 S349 M351 L359 F367 R373 Y374 E375W304-Y371 HydrophobicContact CB-CD2 4.43Å; W304-Y371 HydrophobicContact CB-CE2 3.77Å; L337-Y371 HydrophobicContact CD2-CD1 3.46Å; L337-Y371 VanDerWaalsContact CD2-CD1 3.46Å; L337-Y371 HydrophobicContact CD2-CE1 3.9Å; L337-Y371 HydrophobicContact CD2-CG 4.2Å; W348-Y371 VanDerWaalsContact CD2-OH 3.23Å; W348-Y371 HydrophobicContact CE3-CE1 4.17Å; W348-Y371 AromaticContact CE3-CZ 3.92Å; W348-Y371 HydrophobicContact CH2-CE1 4.21Å; W348-Y371 HydrophobicContact CH2-CE2 4.16Å; W348-Y371 AromaticContact CH2-CZ 3.79Å; W348-Y371 HydrophobicContact CZ2-CE2 4.37Å; W348-Y371 AromaticContact CZ3-CE1 3.75Å; W348-Y371 HydrophobicContact CZ3-CE1 3.75Å; W348-Y371 HydrophobicContact CZ3-CE2 4.46Å; W348-Y371 AromaticContact CZ3-CZ 3.65Å; W348-Y371 WeakPolarHBondContact CZ3-OH 3.45Å; S349-Y371 WeakPolarHBondContact CA-OH 3.32Å; S349-Y371 WeakPolarHBondContact CB-OH 3.11Å; S349-Y371 PolarHBondContact N-OH 2.87Å; S349-Y371 PolarHBondContact O-OH 3.37Å; M351-Y371 HydrophobicContact CE-CD2 3.79Å; M351-Y371 HydrophobicContact CE-CE2 3.68Å; M351-Y371 HydrophobicContact CE-CG 4.35Å; M351-Y371 HydrophobicContact SD-CD2 3.81Å; M351-Y371 HydrophobicContact SD-CE2 3.85Å; L359-Y371 HydrophobicContact CD1-CD2 4.3Å; L359-Y371 HydrophobicContact CD2-CD2 4.24Å; F367-Y371 HydrophobicContact CE1-CG 4.42Å; F367-Y371 HydrophobicContact CZ-CD2 4.16Å; F367-Y371 HydrophobicContact CZ-CG 4.36Å; F367-Y371 WeakPolarHBondContact O-CB 3.34Å; F367-Y371 PolarHBondContact O-N 3.06Å; Y371-R373 VanDerWaalsContact C-N 3.28Å; Y371-R373 PolarHBondContact O-N 2.88Å; Y371-Y374 PolarHBondContact O-N 3.03Å; Y371-Y374 VanDerWaalsContact O-N 3.13Å; Y371-E375 HydrophobicContact CD1-CG 4.35Å; Y371-E375 VanDerWaalsContact CE1-CD 3.49Å; Y371-E375 HydrophobicContact CE1-CG 4.09Å; Y371-E375 WeakPolarHBondContact CE1-OE1 3.17Å; Y371-E375 PolarHBondContact O-N 2.86Å
372T98.5Very high98.1Very high39 Ų3967.7 Ų67.724%0.23932%0.319CS..Hα-helixtrans-68.1-27.8179.757.60000112.8E368 E369 E375 K376E368-T372 WeakPolarHBondContact O-CB 3.46Å; E368-T372 WeakPolarHBondContact O-CG2 3.29Å; E368-T372 PolarHBondContact O-N 2.97Å; E368-T372 PolarHBondContact O-OG1 3.15Å; E369-T372 PolarHBondContact O-OG1 3.29Å; T372-E375 PolarHBondContact O-N 2.97Å; T372-K376 WeakPolarHBondContact O-CG 3.5Å; T372-K376 PolarHBondContact O-N 3.26Å; T372-K376 VanDerWaalsContact O-N 3.08Å
373R98.6Very high98.1Very high127 Ų12771.4 Ų71.448%0.47934%0.341SS..Hα-helixtrans-63-47.4169.1174.6175.459.2170-3111.3E369 L370 Y371 E375 K376 E377E369-R373 VanDerWaalsContact O-CB 3.29Å; E369-R373 WeakPolarHBondContact O-CB 3.39Å; E369-R373 PolarHBondContact O-N 3.44Å; L370-R373 WeakPolarHBondContact O-CB 3.24Å; L370-R373 PolarHBondContact O-N 2.86Å; Y371-R373 VanDerWaalsContact C-N 3.28Å; Y371-R373 PolarHBondContact O-N 2.88Å; R373-E375 VanDerWaalsContact C-N 3.29Å; R373-E375 PolarHBondContact O-N 2.81Å; R373-K376 WeakPolarHBondContact O-CB 3.18Å; R373-K376 PolarHBondContact O-N 2.73Å; R373-K376 VanDerWaalsContact O-N 3.11Å; R373-E377 WeakPolarHBondContact CD-OE1 3.44Å; R373-E377 HydrophobicContact CG-CG 4.4Å; R373-E377 WeakPolarHBondContact CG-OE1 3.33Å; R373-E377 WeakPolarHBondContact O-CG 3.22Å; R373-E377 PolarHBondContact O-N 3.44Å
374Y98.7Very high98.1Very high15 Ų1569.1 Ų69.16%0.05933%0.334CS..Hα-helixtrans-62.9-34.4176.9-68.5-31000113.2M351 C356 P357 L359 L370 Y371 E377 G378 R379M351-Y374 HydrophobicContact SD-CD2 4.26Å; C356-Y374 HydrophobicContact CB-CD2 3.46Å; C356-Y374 VanDerWaalsContact CB-CD2 3.46Å; C356-Y374 HydrophobicContact CB-CE2 3.58Å; C356-Y374 HydrophobicContact CB-CG 4.13Å; P357-Y374 PolarHBondContact O-OH 3.34Å; L359-Y374 HydrophobicContact CD1-CD2 4.3Å; L359-Y374 HydrophobicContact CD2-CD2 4.34Å; L359-Y374 HydrophobicContact CD2-CE2 4.44Å; L359-Y374 HydrophobicContact CG-CD2 4.32Å; L359-Y374 HydrophobicContact CG-CE2 4.2Å; L370-Y374 HydrophobicContact CD1-CD2 4.29Å; L370-Y374 HydrophobicContact CD1-CE1 4.19Å; L370-Y374 HydrophobicContact CD1-CE2 3.6Å; L370-Y374 HydrophobicContact CD2-CE2 4.3Å; L370-Y374 HydrophobicContact CG-CD2 4.26Å; L370-Y374 HydrophobicContact CG-CE2 3.75Å; L370-Y374 PolarHBondContact O-N 2.88Å; L370-Y374 VanDerWaalsContact O-N 3.12Å; Y371-Y374 PolarHBondContact O-N 3.03Å; Y371-Y374 VanDerWaalsContact O-N 3.13Å; Y374-E377 PolarHBondContact O-N 2.87Å; Y374-G378 PolarHBondContact O-N 3.09Å; Y374-R379 VanDerWaalsContact CE1-CZ 3.44Å; Y374-R379 PolarHBondContact O-N 2.92Å
375E98.4Very high98.1Very high43 Ų4373.5 Ų73.520%0.20135%0.351CS..Hα-helixtrans-60.8-46.4170.5-66.4-172.6124.600111.8R341 S349 M351 Y371 T372 R373 E377 G378R341-E375 IonicContact CZ-OE1 3.16Å; R341-E375 IonicContact CZ-OE2 2.79Å; R341-E375 IonicContact NH1-OE1 3.85Å; R341-E375 PolarHBondContact NH1-OE1 3.43Å; R341-E375 IonicContact NH1-OE2 2.7Å; R341-E375 PolarHBondContact NH1-OE2 2.94Å; R341-E375 IonicContact NH2-OE1 2.83Å; R341-E375 IonicContact NH2-OE2 3.91Å; R341-E375 PolarHBondContact NH2-OE2 2.95Å; S349-E375 VanDerWaalsContact CB-OE1 3.25Å; S349-E375 WeakPolarHBondContact CB-OE1 3.45Å; S349-E375 WeakPolarHBondContact OG-CG 3.45Å; S349-E375 PolarHBondContact OG-OE1 3.43Å; M351-E375 HydrophobicContact CE-CG 3.66Å; Y371-E375 HydrophobicContact CD1-CG 4.35Å; Y371-E375 VanDerWaalsContact CE1-CD 3.49Å; Y371-E375 HydrophobicContact CE1-CG 4.09Å; Y371-E375 WeakPolarHBondContact CE1-OE1 3.17Å; Y371-E375 PolarHBondContact O-N 2.86Å; T372-E375 PolarHBondContact O-N 2.97Å; R373-E375 VanDerWaalsContact C-N 3.29Å; R373-E375 PolarHBondContact O-N 2.81Å; E375-E377 VanDerWaalsContact C-N 3.32Å; E375-E377 PolarHBondContact O-N 3.48Å; E375-G378 PolarHBondContact O-N 3.28Å; E375-G378 VanDerWaalsContact O-N 3.09Å
376K98.3Very high98.1Very high181 Ų18165.9 Ų65.979%0.78732%0.316SS*.Hα-helixtrans-65.3-34.1177.9-70.4168.7-175.2170.60112.9T372 R373 G378T372-K376 WeakPolarHBondContact O-CG 3.5Å; T372-K376 PolarHBondContact O-N 3.26Å; T372-K376 VanDerWaalsContact O-N 3.08Å; R373-K376 WeakPolarHBondContact O-CB 3.18Å; R373-K376 PolarHBondContact O-N 2.73Å; R373-K376 VanDerWaalsContact O-N 3.11Å; K376-G378 PolarHBondContact O-N 3.3Å
377E98Very high98.1Very high99 Ų9960.9 Ų60.946%0.46329%0.293SS..THydrogen-bonded Turntrans-74.3-7.4175.1-70.5174.4-167.300112.9R373 Y374 E375 R379R373-E377 WeakPolarHBondContact CD-OE1 3.44Å; R373-E377 HydrophobicContact CG-CG 4.4Å; R373-E377 WeakPolarHBondContact CG-OE1 3.33Å; R373-E377 WeakPolarHBondContact O-CG 3.22Å; R373-E377 PolarHBondContact O-N 3.44Å; Y374-E377 PolarHBondContact O-N 2.87Å; E375-E377 VanDerWaalsContact C-N 3.32Å; E375-E377 PolarHBondContact O-N 3.48Å; E377-R379 VanDerWaalsContact C-N 3.28Å; E377-R379 HydrophobicContact CB-CG 4Å; E377-R379 PolarHBondContact O-N 3.47Å; E377-R379 WeakPolarHBondContact OE2-CD 3.36Å; E377-R379 IonicContact OE2-CZ 3.27Å; E377-R379 IonicContact OE2-NE 2.76Å; E377-R379 IonicContact OE2-NH1 2.71Å; E377-R379 PolarHBondContact OE2-NH1 2.66Å
378G97.1Very high98.1Very high59 Ų5965.7 Ų65.761%0.60832%0.315SS*.THydrogen-bonded Turntrans72.318.2-177.900000114Y374 E375 K376 V380Y374-G378 PolarHBondContact O-N 3.09Å; E375-G378 PolarHBondContact O-N 3.28Å; E375-G378 VanDerWaalsContact O-N 3.09Å; K376-G378 PolarHBondContact O-N 3.3Å; G378-V380 PolarHBondContact O-N 3.07Å
379R96.7Very high98.1Very high85 Ų8563.6 Ų63.632%0.32131%0.305SS..  trans-82.758.6-179.1-65.4166.970.31664.5110.9E355 C356 Y374 E377E355-R379 PolarHBondContact O-NE 2.74Å; E355-R379 PolarHBondContact O-NH2 3.07Å; C356-R379 PolarHBondContact SG-O 2.92Å; Y374-R379 VanDerWaalsContact CE1-CZ 3.44Å; Y374-R379 PolarHBondContact O-N 2.92Å; E377-R379 VanDerWaalsContact C-N 3.28Å; E377-R379 HydrophobicContact CB-CG 4Å; E377-R379 PolarHBondContact O-N 3.47Å; E377-R379 WeakPolarHBondContact OE2-CD 3.36Å; E377-R379 IonicContact OE2-CZ 3.27Å; E377-R379 IonicContact OE2-NE 2.76Å; E377-R379 IonicContact OE2-NH1 2.71Å; E377-R379 PolarHBondContact OE2-NH1 2.66Å
380V96.5Very high98.1Very high36 Ų3657.2 Ų57.222%0.21828%0.275CS..  trans-128.1132.3-172.8-177.90000109.8L350 M351 G378 V383L350-V380 WeakPolarHBondContact O-CG1 2.97Å; M351-V380 HydrophobicContact CE-CG2 4.03Å; G378-V380 PolarHBondContact O-N 3.07Å; V380-V383 HydrophobicContact CG1-CG2 3.75Å
381K96.3Very high98Very high83 Ų8358.3 Ų58.336%0.36128%0.278SS..SBendtrans-78-42.9175.8-71.3-67.8-173.1-170.70111.8A306 L350 C352 E355A306-K381 HydrophobicContact CB-CB 4.01Å; A306-K381 HydrophobicContact CB-CG 4.11Å; L350-K381 WeakPolarHBondContact O-CB 3.26Å; L350-K381 PolarHBondContact O-N 3.23Å; C352-K381 HydrophobicContact CB-CG 4.11Å; E355-K381 VanDerWaalsContact CD-CE 3.43Å; E355-K381 WeakPolarHBondContact OE1-CE 3.35Å; E355-K381 IonicContact OE1-NZ 2.7Å; E355-K381 PolarHBondContact OE1-NZ 3.43Å; E355-K381 WeakPolarHBondContact OE2-CE 3.4Å; E355-K381 IonicContact OE2-NZ 3.43Å; E355-K381 PolarHBondContact OE2-NZ 2.76Å
382R97.4Very high98Very high101 Ų10159 Ų5938%0.38128%0.284SS..EExtended strand (participates in β ladder)trans-154.7134.3-178.4-179.5173.163.5-167.3-10.7110.2L350 V384L350-R382 WeakPolarHBondContact CA-O 3.47Å; L350-R382 HydrophobicContact CB-CB 4.36Å; L350-R382 VanDerWaalsContact CB-O 3.32Å; L350-R382 WeakPolarHBondContact CB-O 3.17Å; L350-R382 HydrophobicContact CD1-CB 4.39Å; L350-R382 VanDerWaalsContact CD1-NE 3.35Å; L350-R382 PolarHBondContact N-O 2.72Å; L350-R382 PolarHBondContact O-N 2.93Å; R382-V384 HydrophobicContact CG-CG1 4.02Å
383V98.2Very high98Very high81 Ų8157.1 Ų57.149%0.49127%0.273SS..EExtended strand (participates in β ladder)trans-99.9132.8169.3-177.40000108.6D347 V380D347-V383 HydrophobicContact CB-CG1 3.75Å; V380-V383 HydrophobicContact CG1-CG2 3.75Å
384V98.4Very high97.9Very high10 Ų1051.1 Ų51.16%0.06125%0.25CC..EExtended strand (participates in β ladder)trans-128.4164.7175.1-620000109.6F309 D347 W348 L350 R382F309-V384 HydrophobicContact CE2-CG1 4.2Å; F309-V384 HydrophobicContact CE2-CG2 4.37Å; F309-V384 HydrophobicContact CZ-CG1 4.47Å; D347-V384 CarbonylContact C-O 3.56Å; D347-V384 WeakPolarHBondContact CA-O 3.1Å; W348-V384 HydrophobicContact CB-CG2 4.24Å; W348-V384 PolarHBondContact N-O 3.19Å; W348-V384 PolarHBondContact O-N 2.99Å; L350-V384 HydrophobicContact CD1-CG1 4.5Å; L350-V384 HydrophobicContact CG-CG2 4.45Å; R382-V384 HydrophobicContact CG-CG1 4.02Å
385K98.5Very high97.7Very high95 Ų9553.4 Ų53.441%0.41326%0.261SS..EExtended strand (participates in β ladder)trans-68136164.3-73-70.5175.4-163.20109.1D347 Q387 Q388 L389D347-K385 VanDerWaalsContact OD1-CD 3.32Å; D347-K385 WeakPolarHBondContact OD1-CD 3.4Å; D347-K385 VanDerWaalsContact OD1-CE 3.24Å; D347-K385 WeakPolarHBondContact OD1-CE 3.48Å; D347-K385 IonicContact OD1-NZ 3.11Å; D347-K385 PolarHBondContact OD1-NZ 3.16Å; K385-Q387 PolarHBondContact O-N 2.69Å; K385-Q388 HydrophobicContact CB-CB 4.15Å; K385-Q388 WeakPolarHBondContact O-CA 3.31Å; K385-Q388 WeakPolarHBondContact O-CB 3.2Å; K385-Q388 PolarHBondContact O-N 3.44Å; K385-L389 PolarHBondContact O-N 2.88Å
386A98.6Very high97.6Very high0 Ų051.5 Ų51.50%025%0.252CS..Hα-helixtrans-56.2-40.4178.300000111.4R341 V342 Q346 W348 Q388 L389 W390R341-A386 HydrophobicContact CB-CB 3.82Å; V342-A386 HydrophobicContact CB-CB 4.46Å; V342-A386 HydrophobicContact CG2-CB 3.83Å; Q346-A386 VanDerWaalsContact O-CB 3.28Å; Q346-A386 WeakPolarHBondContact O-CB 3.5Å; Q346-A386 PolarHBondContact O-N 3.03Å; W348-A386 HydrophobicContact CB-CB 3.97Å; A386-Q388 VanDerWaalsContact C-N 3.27Å; A386-Q388 PolarHBondContact O-N 3.22Å; A386-L389 PolarHBondContact O-N 3.14Å; A386-W390 PolarHBondContact O-N 2.94Å
387Q98.1Very high97.6Very high24 Ų2442.9 Ų42.911%0.11222%0.215CC..Hα-helixtrans-63.4-28.9175.2-65.6-172.2-1.300113.4V342 K385 W390 Y391 M778V342-Q387 HydrophobicContact CG1-CG 4.21Å; V342-Q387 WeakPolarHBondContact O-CG 3.18Å; V342-Q387 PolarHBondContact O-NE2 2.92Å; K385-Q387 PolarHBondContact O-N 2.69Å; Q387-W390 WeakPolarHBondContact O-CB 3.37Å; Q387-W390 PolarHBondContact O-N 3.45Å; Q387-Y391 HydrophobicContact CB-CE2 4.37Å; Q387-Y391 WeakPolarHBondContact O-CD2 3.23Å; Q387-Y391 PolarHBondContact O-N 2.84Å; Q387-M778 HydrophobicContact CB-CE 4.23Å; Q387-M778 HydrophobicContact CG-CE 4.24Å
388Q98.3Very high97.4Very high101 Ų10140.5 Ų40.547%0.47221%0.207SC..Hα-helixtrans-63.7-44.2175-176.4-173.8-9.400111.4F309 K385 A386 W390 Y391 A392F309-Q388 HydrophobicContact CZ-CG 4.35Å; K385-Q388 HydrophobicContact CB-CB 4.15Å; K385-Q388 WeakPolarHBondContact O-CA 3.31Å; K385-Q388 WeakPolarHBondContact O-CB 3.2Å; K385-Q388 PolarHBondContact O-N 3.44Å; A386-Q388 VanDerWaalsContact C-N 3.27Å; A386-Q388 PolarHBondContact O-N 3.22Å; Q388-W390 VanDerWaalsContact C-N 3.34Å; Q388-Y391 PolarHBondContact O-N 3.27Å; Q388-A392 PolarHBondContact O-N 2.58Å
389L98.6Very high97.2Very high0 Ų041.8 Ų41.80%020%0.197CC..Hα-helixtrans-66.9-40.1174.2179.455.2000110.7P303 V308 F309 L312 F338 L350 K385 A386 Y391 A392 I393P303-L389 HydrophobicContact CB-CD2 4.04Å; P303-L389 VanDerWaalsContact O-CD2 3.28Å; P303-L389 WeakPolarHBondContact O-CD2 3.42Å; V308-L389 HydrophobicContact CG1-CD1 3.74Å; V308-L389 HydrophobicContact CG1-CD2 3.94Å; V308-L389 HydrophobicContact CG2-CD1 4.01Å; V308-L389 HydrophobicContact CG2-CD2 4.4Å; F309-L389 HydrophobicContact CD1-CD1 4.48Å; F309-L389 HydrophobicContact CD2-CD1 4.19Å; F309-L389 HydrophobicContact CE1-CD1 4.17Å; F309-L389 HydrophobicContact CE2-CB 4.37Å; F309-L389 HydrophobicContact CE2-CD1 3.88Å; F309-L389 HydrophobicContact CZ-CB 3.99Å; F309-L389 HydrophobicContact CZ-CD1 3.88Å; L312-L389 HydrophobicContact CD1-CD1 3.92Å; F338-L389 HydrophobicContact CE2-CB 4.19Å; F338-L389 HydrophobicContact CE2-CD2 3.73Å; F338-L389 HydrophobicContact CE2-CG 4.1Å; F338-L389 HydrophobicContact CZ-CB 4.26Å; F338-L389 HydrophobicContact CZ-CD2 4Å; F338-L389 HydrophobicContact CZ-CG 3.97Å; L350-L389 HydrophobicContact CD2-CD2 4.43Å; K385-L389 PolarHBondContact O-N 2.88Å; A386-L389 PolarHBondContact O-N 3.14Å; L389-Y391 VanDerWaalsContact C-N 3.31Å; L389-Y391 PolarHBondContact O-N 3.43Å; L389-A392 WeakPolarHBondContact O-CB 3.48Å; L389-A392 PolarHBondContact O-N 2.78Å; L389-A392 VanDerWaalsContact O-N 3.11Å; L389-I393 HydrophobicContact CG-CD1 4.25Å; L389-I393 WeakPolarHBondContact O-CG1 3.33Å; L389-I393 PolarHBondContact O-N 3.31Å
390W98.6Very high97.1Very high0 Ų039.3 Ų39.30%019%0.192CC..Hα-helixtrans-55.3-44.3174.4-172.8-105000113F338 M339 V342 A386 Q387 Q388 A392 I393 I394 M405 T721 H724 F725F338-W390 AromaticContact CE1-CE3 3.89Å; F338-W390 HydrophobicContact CE1-CE3 3.89Å; F338-W390 HydrophobicContact CE1-CZ3 4.3Å; F338-W390 HydrophobicContact CZ-CE3 4.33Å; M339-W390 HydrophobicContact CE-CH2 4Å; M339-W390 HydrophobicContact CE-CZ3 4.09Å; M339-W390 HydrophobicContact SD-CH2 4.31Å; M339-W390 HydrophobicContact SD-CZ3 3.8Å; V342-W390 HydrophobicContact CG1-CB 3.85Å; V342-W390 HydrophobicContact CG1-CD2 3.95Å; V342-W390 HydrophobicContact CG1-CE3 4.37Å; V342-W390 HydrophobicContact CG1-CG 3.69Å; V342-W390 HydrophobicContact CG2-CB 4.02Å; V342-W390 HydrophobicContact CG2-CE3 4.35Å; V342-W390 HydrophobicContact CG2-CG 4.48Å; A386-W390 PolarHBondContact O-N 2.94Å; Q387-W390 WeakPolarHBondContact O-CB 3.37Å; Q387-W390 PolarHBondContact O-N 3.45Å; Q388-W390 VanDerWaalsContact C-N 3.34Å; W390-A392 VanDerWaalsContact C-N 3.33Å; W390-A392 PolarHBondContact O-N 3.4Å; W390-I393 HydrophobicContact CE3-CD1 4.3Å; W390-I393 WeakPolarHBondContact O-CB 3.42Å; W390-I393 PolarHBondContact O-N 3.19Å; W390-I393 VanDerWaalsContact O-N 3.15Å; W390-I394 HydrophobicContact CZ2-CG2 4.25Å; W390-I394 WeakPolarHBondContact O-CG1 3.32Å; W390-I394 PolarHBondContact O-N 3.47Å; W390-I394 VanDerWaalsContact O-N 3.1Å; W390-M405 HydrophobicContact CH2-CE 3.81Å; W390-M405 HydrophobicContact CZ3-CE 3.71Å; W390-T721 HydrophobicContact CZ2-CG2 4.44Å; W390-T721 PolarHBondContact NE1-OG1 2.99Å; W390-H724 HydrophobicContact CH2-CB 3.57Å; W390-H724 AromaticContact CH2-CD2 3.88Å; W390-H724 AromaticContact CH2-CG 3.92Å; W390-H724 HydrophobicContact CZ2-CB 3.78Å; W390-H724 AromaticContact CZ2-CD2 3.82Å; W390-F725 HydrophobicContact CH2-CE2 4.26Å; W390-F725 HydrophobicContact CZ2-CD2 4.14Å; W390-F725 AromaticContact CZ2-CE2 3.9Å; W390-F725 HydrophobicContact CZ2-CE2 3.9Å
391Y97.2Very high97Very high46 Ų4638.1 Ų38.118%0.1819%0.186CC..Hα-helixtrans-58.2-42.9175.2-76.9-61.6000112.5Q387 Q388 L389 I393 I394 E395 Y717 T775 M778Q387-Y391 HydrophobicContact CB-CE2 4.37Å; Q387-Y391 WeakPolarHBondContact O-CD2 3.23Å; Q387-Y391 PolarHBondContact O-N 2.84Å; Q388-Y391 PolarHBondContact O-N 3.27Å; L389-Y391 VanDerWaalsContact C-N 3.31Å; L389-Y391 PolarHBondContact O-N 3.43Å; Y391-I393 VanDerWaalsContact C-N 3.3Å; Y391-I393 PolarHBondContact O-N 3.23Å; Y391-I394 HydrophobicContact CD1-CD1 4.03Å; Y391-I394 VanDerWaalsContact O-CG1 3.24Å; Y391-I394 WeakPolarHBondContact O-CG1 3.46Å; Y391-I394 PolarHBondContact O-N 3.01Å; Y391-E395 VanDerWaalsContact O-CB 3.25Å; Y391-E395 WeakPolarHBondContact O-CB 3.5Å; Y391-E395 PolarHBondContact O-N 3.02Å; Y391-Y717 AromaticContact CD1-CD2 3.47Å; Y391-Y717 HydrophobicContact CD1-CD2 3.47Å; Y391-Y717 VanDerWaalsContact CD1-CD2 3.47Å; Y391-Y717 AromaticContact CD1-CE2 3.67Å; Y391-Y717 HydrophobicContact CD1-CE2 3.67Å; Y391-Y717 AromaticContact CE1-CD2 3.68Å; Y391-Y717 HydrophobicContact CE1-CD2 3.68Å; Y391-Y717 HydrophobicContact CE1-CE2 4.25Å; Y391-T775 WeakPolarHBondContact OH-CG2 3.3Å; Y391-M778 HydrophobicContact CD1-SD 3.91Å; Y391-M778 HydrophobicContact CE1-CB 4.23Å; Y391-M778 HydrophobicContact CE1-CE 3.81Å; Y391-M778 HydrophobicContact CE1-CG 4.4Å; Y391-M778 HydrophobicContact CE1-SD 3.28Å; Y391-M778 WeakPolarHBondContact CE1-SD 3.46Å; Y391-M778 HydrophobicContact CE2-CE 3.71Å; Y391-M778 HydrophobicContact CE2-SD 4.14Å; Y391-M778 WeakPolarHBondContact OH-CE 3.28Å
392A98.3Very high97.1Very high14 Ų1434.2 Ų34.212%0.11617%0.17CC..Hα-helixtrans-65-35.2177.600000112.3F309 L312 Q388 L389 W390 S396F309-A392 HydrophobicContact CD1-CB 3.93Å; F309-A392 HydrophobicContact CE1-CB 3.82Å; L312-A392 HydrophobicContact CD1-CB 3.78Å; Q388-A392 PolarHBondContact O-N 2.58Å; L389-A392 WeakPolarHBondContact O-CB 3.48Å; L389-A392 PolarHBondContact O-N 2.78Å; L389-A392 VanDerWaalsContact O-N 3.11Å; W390-A392 VanDerWaalsContact C-N 3.33Å; W390-A392 PolarHBondContact O-N 3.4Å; A392-S396 WeakPolarHBondContact O-CB 3.4Å; A392-S396 PolarHBondContact O-N 2.54Å
393I98.6Very high97.1Very high0 Ų029.5 Ų29.50%015%0.152CC..Hα-helixtrans-63.7-52.9177.1-64.5168.7000110.4L312 L332 F338 L389 W390 Y391 E395 S396 Q397 P403 M405L312-I393 HydrophobicContact CD1-CG1 3.85Å; L312-I393 HydrophobicContact CD2-CG1 4.16Å; L332-I393 HydrophobicContact CD1-CB 4.42Å; L332-I393 HydrophobicContact CD1-CD1 3.54Å; L332-I393 HydrophobicContact CD1-CG1 3.68Å; L332-I393 HydrophobicContact CD1-CG2 3.86Å; F338-I393 HydrophobicContact CE1-CD1 3.81Å; F338-I393 HydrophobicContact CZ-CD1 3.86Å; L389-I393 HydrophobicContact CG-CD1 4.25Å; L389-I393 WeakPolarHBondContact O-CG1 3.33Å; L389-I393 PolarHBondContact O-N 3.31Å; W390-I393 HydrophobicContact CE3-CD1 4.3Å; W390-I393 WeakPolarHBondContact O-CB 3.42Å; W390-I393 PolarHBondContact O-N 3.19Å; W390-I393 VanDerWaalsContact O-N 3.15Å; Y391-I393 VanDerWaalsContact C-N 3.3Å; Y391-I393 PolarHBondContact O-N 3.23Å; I393-E395 VanDerWaalsContact C-N 3.33Å; I393-E395 PolarHBondContact O-N 3.21Å; I393-S396 PolarHBondContact O-N 2.83Å; I393-Q397 WeakPolarHBondContact O-CG 3.07Å; I393-Q397 PolarHBondContact O-N 2.97Å; I393-P403 HydrophobicContact CG2-CG 4.32Å; I393-M405 HydrophobicContact CG2-CE 4.23Å; I393-M405 HydrophobicContact CG2-SD 3.88Å
394I96.3Very high97.1Very high0 Ų025.6 Ų25.60%013%0.129CC..Hα-helixtrans-69.5-30.4-177.862.8-174.6000112.5W390 Y391 Q397 T398 Y717 L720W390-I394 HydrophobicContact CZ2-CG2 4.25Å; W390-I394 WeakPolarHBondContact O-CG1 3.32Å; W390-I394 PolarHBondContact O-N 3.47Å; W390-I394 VanDerWaalsContact O-N 3.1Å; Y391-I394 HydrophobicContact CD1-CD1 4.03Å; Y391-I394 VanDerWaalsContact O-CG1 3.24Å; Y391-I394 WeakPolarHBondContact O-CG1 3.46Å; Y391-I394 PolarHBondContact O-N 3.01Å; I394-Q397 PolarHBondContact O-N 3.33Å; I394-T398 WeakPolarHBondContact O-CB 3.39Å; I394-T398 PolarHBondContact O-N 3Å; I394-T398 PolarHBondContact O-OG1 3.45Å; I394-Y717 HydrophobicContact CD1-CD1 3.81Å; I394-Y717 HydrophobicContact CD1-CD2 3.62Å; I394-Y717 HydrophobicContact CD1-CE1 4.36Å; I394-Y717 HydrophobicContact CD1-CE2 4.16Å; I394-Y717 HydrophobicContact CD1-CG 3.4Å; I394-Y717 HydrophobicContact CG1-CD1 4.04Å; I394-Y717 HydrophobicContact CG1-CD2 4.26Å; I394-Y717 HydrophobicContact CG1-CE1 4.16Å; I394-Y717 HydrophobicContact CG1-CE2 4.34Å; I394-Y717 HydrophobicContact CG1-CG 4.09Å; I394-L720 HydrophobicContact CB-CD1 4.22Å; I394-L720 HydrophobicContact CG2-CB 4.29Å
395E95.9Very high97.2Very high64 Ų6425.1 Ų25.130%0.29913%0.126SC..Hα-helixtrans-63.2-51.1172-176.9174.4-132.600110.8K316 Y391 I393 Q397 T398 E399 Y717K316-E395 IonicContact NZ-OE2 3.07Å; Y391-E395 VanDerWaalsContact O-CB 3.25Å; Y391-E395 WeakPolarHBondContact O-CB 3.5Å; Y391-E395 PolarHBondContact O-N 3.02Å; I393-E395 VanDerWaalsContact C-N 3.33Å; I393-E395 PolarHBondContact O-N 3.21Å; E395-Q397 VanDerWaalsContact C-N 3.28Å; E395-Q397 PolarHBondContact O-N 3.34Å; E395-T398 PolarHBondContact O-N 2.91Å; E395-T398 VanDerWaalsContact O-N 3.13Å; E395-E399 PolarHBondContact O-N 3.06Å; E395-Y717 WeakPolarHBondContact CB-OH 3.35Å
396S96.6Very high97.2Very high2 Ų220.6 Ų20.61%0.01411%0.106CC..Hα-helixtrans-56.3-42.9174.7176.40000112L312 A392 I393 T398 E399 T400 T402 P403L312-S396 PolarHBondContact O-OG 2.94Å; L312-S396 VanDerWaalsContact O-OG 3.14Å; A392-S396 WeakPolarHBondContact O-CB 3.4Å; A392-S396 PolarHBondContact O-N 2.54Å; I393-S396 PolarHBondContact O-N 2.83Å; S396-T398 VanDerWaalsContact C-N 3.35Å; S396-E399 PolarHBondContact O-N 3.23Å; S396-T400 WeakPolarHBondContact O-CB 3.36Å; S396-T400 PolarHBondContact O-N 3.35Å; S396-T400 PolarHBondContact O-OG1 2.98Å; S396-T402 CarbonylContact C-O 3.53Å; S396-T402 PolarHBondContact OG-O 2.82Å; S396-P403 WeakPolarHBondContact OG-CD 3.48Å
397Q96.9Very high97.2Very high0 Ų020.6 Ų20.60%011%0.106CC..Hα-helixtrans-64.1-40.9178.3-73172.2-14.100112I393 I394 E395 E399 G401 T402 P403 M405 H724 M736 L739I393-Q397 WeakPolarHBondContact O-CG 3.07Å; I393-Q397 PolarHBondContact O-N 2.97Å; I394-Q397 PolarHBondContact O-N 3.33Å; E395-Q397 VanDerWaalsContact C-N 3.28Å; E395-Q397 PolarHBondContact O-N 3.34Å; Q397-E399 VanDerWaalsContact C-N 3.33Å; Q397-E399 PolarHBondContact O-N 3.46Å; Q397-G401 WeakPolarHBondContact O-CA 3.48Å; Q397-G401 PolarHBondContact O-N 2.9Å; Q397-T402 VanDerWaalsContact CA-O 3.22Å; Q397-T402 WeakPolarHBondContact CA-O 3.25Å; Q397-T402 PolarHBondContact N-O 3.25Å; Q397-T402 VanDerWaalsContact N-O 3.08Å; Q397-P403 PolarHBondContact NE2-O 3.29Å; Q397-P403 VanDerWaalsContact NE2-O 3.1Å; Q397-M405 PolarHBondContact NE2-SD 2.96Å; Q397-H724 PolarHBondContact OE1-NE2 3.31Å; Q397-M736 HydrophobicContact CG-CE 3.86Å; Q397-M736 VanDerWaalsContact NE2-CE 3.26Å; Q397-L739 HydrophobicContact CB-CD2 4.09Å
398T93.4Very high97.2Very high50 Ų5019.5 Ų19.531%0.30710%0.101SC..Hα-helixtrans-64.2-40.2178.5-57.40000111.2I394 E395 S396 P715 L720I394-T398 WeakPolarHBondContact O-CB 3.39Å; I394-T398 PolarHBondContact O-N 3Å; I394-T398 PolarHBondContact O-OG1 3.45Å; E395-T398 PolarHBondContact O-N 2.91Å; E395-T398 VanDerWaalsContact O-N 3.13Å; S396-T398 VanDerWaalsContact C-N 3.35Å; T398-P715 HydrophobicContact CG2-CG 4.11Å; T398-L720 WeakPolarHBondContact OG1-CD1 3.44Å
399E92.9Very high97.3Very high86 Ų8614.7 Ų14.740%0.4028%0.078SC..Hα-helixtrans-77.4-37.1-179.6-71.1-176.9-136.600113.9K316 E395 S396 Q397K316-E399 WeakPolarHBondContact CD-OE2 3.35Å; K316-E399 VanDerWaalsContact CE-OE1 3.27Å; K316-E399 WeakPolarHBondContact CE-OE1 3.29Å; K316-E399 WeakPolarHBondContact CE-OE2 3.44Å; K316-E399 WeakPolarHBondContact CG-OE2 3.43Å; K316-E399 IonicContact NZ-OE1 2.66Å; K316-E399 PolarHBondContact NZ-OE1 3.43Å; K316-E399 IonicContact NZ-OE2 3.52Å; E395-E399 PolarHBondContact O-N 3.06Å; S396-E399 PolarHBondContact O-N 3.23Å; Q397-E399 VanDerWaalsContact C-N 3.33Å; Q397-E399 PolarHBondContact O-N 3.46Å
400T94.9Very high97.3Very high33 Ų3314.9 Ų14.920%0.2028%0.08CC..Hα-helixtrans-122.9-10.3-165.6740000114.6K315 K316 S396 T402K315-T400 HydrophobicContact CB-CG2 4.17Å; K315-T400 HydrophobicContact CG-CG2 4.27Å; K316-T400 HydrophobicContact CG-CG2 4.02Å; S396-T400 WeakPolarHBondContact O-CB 3.36Å; S396-T400 PolarHBondContact O-N 3.35Å; S396-T400 PolarHBondContact O-OG1 2.98Å; T400-T402 PolarHBondContact O-N 2.78Å; T400-T402 PolarHBondContact OG1-N 3.21Å; T400-T402 PolarHBondContact OG1-O 3.33Å; T400-T402 PolarHBondContact OG1-OG1 3.47Å
401G95.7Very high97.3Very high10 Ų1014.9 Ų14.910%0.1038%0.08CC..SBendtrans76.61.1-170.200000114.5Q397 L739Q397-G401 WeakPolarHBondContact O-CA 3.48Å; Q397-G401 PolarHBondContact O-N 2.9Å; G401-L739 PolarHBondContact O-N 3.49Å; G401-L739 VanDerWaalsContact O-N 3.12Å
402T97.3Very high97.4Very high2 Ų212.8 Ų12.81%0.0127%0.072CC..  trans-140.1160.6-173.766.30000110.6S396 Q397 T400 Y404 Y738S396-T402 CarbonylContact C-O 3.53Å; S396-T402 PolarHBondContact OG-O 2.82Å; Q397-T402 VanDerWaalsContact CA-O 3.22Å; Q397-T402 WeakPolarHBondContact CA-O 3.25Å; Q397-T402 PolarHBondContact N-O 3.25Å; Q397-T402 VanDerWaalsContact N-O 3.08Å; T400-T402 PolarHBondContact O-N 2.78Å; T400-T402 PolarHBondContact OG1-N 3.21Å; T400-T402 PolarHBondContact OG1-O 3.33Å; T400-T402 PolarHBondContact OG1-OG1 3.47Å; T402-Y404 HydrophobicContact CG2-CD1 3.98Å; T402-Y404 HydrophobicContact CG2-CE1 3.6Å; T402-Y738 HydrophobicContact CG2-CD1 3.99Å; T402-Y738 HydrophobicContact CG2-CE1 3.85Å
403P98.4Very high97.4Very high1 Ų116.9 Ų16.91%0.0068%0.084CC..SBendcis-75.1158.113.232.8-40.3000114.1L312 F330 L332 I393 S396 Q397L312-P403 HydrophobicContact CD2-CG 3.55Å; F330-P403 HydrophobicContact CB-CB 4.32Å; F330-P403 CarbonylContact O-C 3.57Å; F330-P403 WeakPolarHBondContact O-CA 3.39Å; F330-P403 WeakPolarHBondContact O-CB 3.33Å; L332-P403 HydrophobicContact CD1-CB 4.49Å; L332-P403 HydrophobicContact CD1-CG 3.75Å; L332-P403 HydrophobicContact CG-CB 3.98Å; L332-P403 HydrophobicContact CG-CG 3.77Å; I393-P403 HydrophobicContact CG2-CG 4.32Å; S396-P403 WeakPolarHBondContact OG-CD 3.48Å; Q397-P403 PolarHBondContact NE2-O 3.29Å; Q397-P403 VanDerWaalsContact NE2-O 3.1Å
404Y98.8Very high97.4Very high0 Ų017.5 Ų17.50%09%0.087CC..EExtended strand (participates in β ladder)trans-63.9153.8166.3-46.8-28.8000110.5S298 F329 F330 A331 L332 T402 L428 T430 Y737 Y738S298-Y404 WeakPolarHBondContact OG-CE2 3.23Å; F329-Y404 HydrophobicContact CB-CE2 4.12Å; F329-Y404 VanDerWaalsContact CD1-OH 3.24Å; F329-Y404 WeakPolarHBondContact CD1-OH 3.36Å; F329-Y404 WeakPolarHBondContact CG-OH 3.22Å; F330-Y404 PolarHBondContact O-N 3.08Å; A331-Y404 HydrophobicContact CB-CD2 3.81Å; A331-Y404 HydrophobicContact CB-CG 4.18Å; L332-Y404 PolarHBondContact N-O 3.35Å; T402-Y404 HydrophobicContact CG2-CD1 3.98Å; T402-Y404 HydrophobicContact CG2-CE1 3.6Å; Y404-L428 WeakPolarHBondContact CE2-O 3.31Å; Y404-T430 HydrophobicContact CD2-CG2 3.38Å; Y404-T430 HydrophobicContact CE2-CG2 4.12Å; Y404-T430 HydrophobicContact CG-CG2 3.77Å; Y404-Y737 HydrophobicContact CD1-CD2 4.02Å; Y404-Y737 HydrophobicContact CD1-CE2 4.47Å; Y404-Y737 WeakPolarHBondContact CD1-O 3.43Å; Y404-Y737 HydrophobicContact CD2-CD2 4.29Å; Y404-Y737 HydrophobicContact CD2-CE2 4.43Å; Y404-Y737 AromaticContact CE1-CD2 3.8Å; Y404-Y737 HydrophobicContact CE1-CD2 3.8Å; Y404-Y737 AromaticContact CE1-CE2 3.83Å; Y404-Y737 HydrophobicContact CE1-CE2 3.83Å; Y404-Y737 HydrophobicContact CE2-CD2 4.14Å; Y404-Y737 AromaticContact CE2-CE2 3.85Å; Y404-Y737 HydrophobicContact CE2-CE2 3.85Å; Y404-Y737 HydrophobicContact CG-CD2 4.24Å; Y404-Y737 AromaticContact CZ-CD2 3.88Å; Y404-Y737 AromaticContact CZ-CE2 3.49Å; Y404-Y737 VanDerWaalsContact CZ-CE2 3.49Å; Y404-Y738 AromaticContact CE1-CD1 3.97Å; Y404-Y738 HydrophobicContact CE1-CD1 3.97Å; Y404-Y738 AromaticContact CE1-CE1 3.69Å; Y404-Y738 HydrophobicContact CE1-CE1 3.69Å; Y404-Y738 HydrophobicContact CE1-CE2 4.38Å; Y404-Y738 HydrophobicContact CE1-CG 4.42Å; Y404-Y738 AromaticContact CE1-CZ 3.91Å; Y404-Y738 VanDerWaalsContact OH-CZ 3.25Å; Y404-Y738 PolarHBondContact OH-OH 3.35Å
405M98.8Very high97.5Very high0 Ų017.5 Ų17.50%09%0.087CC..EExtended strand (participates in β ladder)trans-118.6110.7-177.2-60.3-66.9-78.600110.6L332 I334 W390 I393 Q397 G735 M736L332-M405 HydrophobicContact CD1-SD 4.12Å; I334-M405 HydrophobicContact CD1-CE 3.26Å; I334-M405 HydrophobicContact CD1-SD 3.67Å; W390-M405 HydrophobicContact CH2-CE 3.81Å; W390-M405 HydrophobicContact CZ3-CE 3.71Å; I393-M405 HydrophobicContact CG2-CE 4.23Å; I393-M405 HydrophobicContact CG2-SD 3.88Å; Q397-M405 PolarHBondContact NE2-SD 2.96Å; M405-G735 PolarHBondContact O-N 2.92Å; M405-M736 HydrophobicContact CB-CB 4.05Å; M405-M736 HydrophobicContact CG-CB 4.18Å; M405-M736 HydrophobicContact CG-CE 4.27Å; M405-M736 PolarHBondContact N-O 3.38Å; M405-M736 PolarHBondContact O-N 2.82Å
406L98.9Very high97.6Very high0 Ų014.7 Ų14.70%07%0.074CC..EExtended strand (participates in β ladder)trans-126.1138.9176-62.185.5000110.3Y300 A331 L332 W333 I334 T430 K733Y300-L406 HydrophobicContact CE1-CD1 3.68Å; Y300-L406 HydrophobicContact CE1-CD2 3.81Å; Y300-L406 HydrophobicContact CE1-CG 4.32Å; A331-L406 HydrophobicContact CB-CD1 4.17Å; L332-L406 PolarHBondContact O-N 2.8Å; L332-L406 VanDerWaalsContact O-N 3.11Å; W333-L406 HydrophobicContact CE3-CB 3.6Å; W333-L406 HydrophobicContact CE3-CD2 4.18Å; W333-L406 HydrophobicContact CE3-CG 4.49Å; W333-L406 HydrophobicContact CZ3-CB 3.69Å; W333-L406 HydrophobicContact CZ3-CD2 3.74Å; W333-L406 HydrophobicContact CZ3-CG 4.39Å; I334-L406 WeakPolarHBondContact CB-O 3.46Å; I334-L406 PolarHBondContact N-O 2.92Å; L406-T430 HydrophobicContact CD1-CG2 3.91Å; L406-T430 HydrophobicContact CD2-CG2 4.45Å; L406-K733 CarbonylContact C-O 3.53Å; L406-K733 WeakPolarHBondContact CA-O 3.39Å
407Y98.9Very high97.7Very high0 Ų014.8 Ų14.80%07%0.074CC..EExtended strand (participates in β ladder)trans-100.1100.7-175.9-56.6-68.4000109.6I334 M339 D409 A410 C411 H724 W728 L732 K733I334-Y407 HydrophobicContact CB-CD1 4.36Å; I334-Y407 CarbonylContact O-C 3.51Å; I334-Y407 WeakPolarHBondContact O-CA 3.41Å; M339-Y407 HydrophobicContact CE-CE1 4.2Å; M339-Y407 HydrophobicContact CG-CD1 4.5Å; M339-Y407 HydrophobicContact CG-CE1 4.3Å; M339-Y407 HydrophobicContact SD-CE1 4.18Å; Y407-D409 PolarHBondContact O-N 3.11Å; Y407-A410 PolarHBondContact O-N 3.32Å; Y407-A410 VanDerWaalsContact O-N 3.13Å; Y407-C411 PolarHBondContact O-N 3.24Å; Y407-C411 PolarHBondContact O-SG 2.85Å; Y407-C411 VanDerWaalsContact O-SG 3.38Å; Y407-H724 PolarHBondContact OH-O 3.41Å; Y407-W728 HydrophobicContact CD1-CB 4.28Å; Y407-W728 AromaticContact CD1-CD1 3.54Å; Y407-W728 HydrophobicContact CD1-CG 4.17Å; Y407-W728 HydrophobicContact CE1-CB 3.66Å; Y407-W728 AromaticContact CE1-CD1 3.79Å; Y407-W728 AromaticContact CE1-CG 3.95Å; Y407-W728 HydrophobicContact CE1-CG 3.95Å; Y407-W728 HydrophobicContact CE2-CB 4.07Å; Y407-W728 AromaticContact CG-CD1 3.95Å; Y407-L732 WeakPolarHBondContact CD2-O 2.99Å; Y407-K733 PolarHBondContact N-O 3.47Å
408K98.9Very high97.7Very high0 Ų019 Ų190%09%0.094CC..Hα-helixtrans-47.8-47.3-175.9167.4173.9177.7173.80112.2E302 W333 I334 L359 C362 W363 C411 N412E302-K408 IonicContact OE1-NZ 2.66Å; E302-K408 PolarHBondContact OE1-NZ 3.37Å; E302-K408 IonicContact OE2-NZ 2.96Å; E302-K408 PolarHBondContact OE2-NZ 3.46Å; W333-K408 HydrophobicContact CD2-CB 4.06Å; W333-K408 HydrophobicContact CG-CB 4.03Å; W333-K408 HydrophobicContact CZ2-CB 4.37Å; W333-K408 VanDerWaalsContact NE1-CG 3.29Å; I334-K408 WeakPolarHBondContact O-CB 3.39Å; I334-K408 PolarHBondContact O-N 2.83Å; L359-K408 PolarHBondContact O-NZ 3.16Å; C362-K408 WeakPolarHBondContact O-CE 3.44Å; C362-K408 PolarHBondContact O-NZ 3.08Å; W363-K408 HydrophobicContact CB-CG 4.41Å; K408-C411 WeakPolarHBondContact O-CB 3.27Å; K408-C411 PolarHBondContact O-N 3.32Å; K408-N412 WeakPolarHBondContact O-CB 3.29Å; K408-N412 PolarHBondContact O-N 3.23Å; K408-N412 PolarHBondContact O-ND2 2.67Å
409D98.8Very high97.9Very high0 Ų019.5 Ų19.50%010%0.095CC..Hα-helixtrans-74.6-37.4-174.1-62-31.4000111.4D336 W363 G364 Y407 C411 N412 R413D336-D409 HydrophobicContact CB-CB 4.4Å; D336-D409 WeakPolarHBondContact CB-OD2 3.4Å; D336-D409 VanDerWaalsContact CG-OD2 3.3Å; D336-D409 PolarHBondContact N-OD2 3.26Å; D336-D409 VanDerWaalsContact OD2-CB 3.24Å; D336-D409 WeakPolarHBondContact OD2-CB 3.38Å; W363-D409 WeakPolarHBondContact CB-OD1 3.45Å; G364-D409 PolarHBondContact N-OD1 3.47Å; Y407-D409 PolarHBondContact O-N 3.11Å; D409-C411 VanDerWaalsContact C-N 3.3Å; D409-C411 PolarHBondContact O-N 3.44Å; D409-N412 PolarHBondContact O-N 3.3Å; D409-R413 WeakPolarHBondContact O-CB 3.26Å; D409-R413 PolarHBondContact O-N 2.82Å; D409-R413 PolarHBondContact O-NH1 2.96Å
410A98.8Very high98.2Very high5 Ų517 Ų174%0.0418%0.084CC..Hα-helixtrans-64-37.3172.900000112Y407 K414 L732 K733Y407-A410 PolarHBondContact O-N 3.32Å; Y407-A410 VanDerWaalsContact O-N 3.13Å; A410-K414 WeakPolarHBondContact O-CB 3.46Å; A410-K414 WeakPolarHBondContact O-CE 3.41Å; A410-K414 PolarHBondContact O-N 3.46Å; A410-L732 WeakPolarHBondContact CB-O 3.28Å; A410-K733 HydrophobicContact CB-CG 4.33Å
411C98.9Very high98.4Very high0 Ų016.9 Ų16.90%09%0.09CC..Hα-helixtrans-63.5-50.5174.8-72.80000112W333 Y407 K408 D409 T415 V433W333-C411 HydrophobicContact CH2-CB 3.34Å; W333-C411 WeakPolarHBondContact CH2-SG 3.44Å; W333-C411 HydrophobicContact CZ2-CB 3.76Å; W333-C411 HydrophobicContact CZ3-CB 4.26Å; Y407-C411 PolarHBondContact O-N 3.24Å; Y407-C411 PolarHBondContact O-SG 2.85Å; Y407-C411 VanDerWaalsContact O-SG 3.38Å; K408-C411 WeakPolarHBondContact O-CB 3.27Å; K408-C411 PolarHBondContact O-N 3.32Å; D409-C411 VanDerWaalsContact C-N 3.3Å; D409-C411 PolarHBondContact O-N 3.44Å; C411-T415 WeakPolarHBondContact O-CB 3.43Å; C411-T415 WeakPolarHBondContact O-CG2 3.29Å; C411-V433 HydrophobicContact CB-CG1 3.69Å
412N98.9Very high98.5Very high1 Ų116.9 Ų16.91%0.0059%0.088CC..Hα-helixtrans-74.5-36.2-176.6-80.1-79000113.5W363 K408 D409 K414 T415 T422 I423W363-N412 HydrophobicContact CB-CB 4.07Å; W363-N412 HydrophobicContact CD2-CB 3.44Å; W363-N412 VanDerWaalsContact CD2-CB 3.44Å; W363-N412 HydrophobicContact CE3-CB 3.97Å; W363-N412 HydrophobicContact CG-CB 3.46Å; W363-N412 VanDerWaalsContact CG-CB 3.46Å; W363-N412 HydrophobicContact CZ2-CB 4.41Å; K408-N412 WeakPolarHBondContact O-CB 3.29Å; K408-N412 PolarHBondContact O-N 3.23Å; K408-N412 PolarHBondContact O-ND2 2.67Å; D409-N412 PolarHBondContact O-N 3.3Å; N412-K414 VanDerWaalsContact C-N 3.27Å; N412-K414 PolarHBondContact O-N 3.33Å; N412-T415 WeakPolarHBondContact O-CG2 3.42Å; N412-T422 WeakPolarHBondContact OD1-CA 3.44Å; N412-I423 PolarHBondContact ND2-O 3.27Å; N412-I423 PolarHBondContact OD1-N 2.97Å
413R98.8Very high98.6Very high100 Ų10016.8 Ų16.838%0.3779%0.087SC..Hα-helixtrans-67.8-28.4178.4-169.1179.3-61.7109.5-7.9113D336 W363 D409D336-R413 IonicContact OD2-CZ 2.75Å; D336-R413 IonicContact OD2-NH1 3.78Å; D336-R413 PolarHBondContact OD2-NH1 3.16Å; D336-R413 IonicContact OD2-NH2 3.92Å; D336-R413 PolarHBondContact OD2-NH2 3.29Å; W363-R413 HydrophobicContact CE3-CB 4.42Å; W363-R413 HydrophobicContact CH2-CB 3.88Å; W363-R413 HydrophobicContact CH2-CG 4.17Å; W363-R413 HydrophobicContact CZ3-CB 3.56Å; W363-R413 HydrophobicContact CZ3-CG 4.02Å; D409-R413 WeakPolarHBondContact O-CB 3.26Å; D409-R413 PolarHBondContact O-N 2.82Å; D409-R413 PolarHBondContact O-NH1 2.96Å
414K98.8Very high98.6Very high13 Ų1317.9 Ų17.96%0.0579%0.092CC..THydrogen-bonded Turntrans-123.637.2-169.1-52.3-172.7-67.2-173.20112.7A410 N412 Q567 M570 W571 G731 K733A410-K414 WeakPolarHBondContact O-CB 3.46Å; A410-K414 WeakPolarHBondContact O-CE 3.41Å; A410-K414 PolarHBondContact O-N 3.46Å; N412-K414 VanDerWaalsContact C-N 3.27Å; N412-K414 PolarHBondContact O-N 3.33Å; K414-Q567 PolarHBondContact O-NE2 3.29Å; K414-Q567 PolarHBondContact O-OE1 3.34Å; K414-Q567 VanDerWaalsContact O-OE1 3.13Å; K414-M570 VanDerWaalsContact CA-SD 3.54Å; K414-M570 HydrophobicContact CB-CB 4.06Å; K414-M570 HydrophobicContact CB-SD 4.27Å; K414-M570 WeakPolarHBondContact CD-O 3.41Å; K414-M570 HydrophobicContact CG-CB 3.97Å; K414-W571 HydrophobicContact CD-CD2 4.04Å; K414-W571 HydrophobicContact CD-CG 4.01Å; K414-W571 VanDerWaalsContact NZ-CD2 3.27Å; K414-W571 VanDerWaalsContact NZ-CZ3 3.35Å; K414-G731 PolarHBondContact NZ-O 3.34Å; K414-K733 WeakPolarHBondContact O-CE 3.17Å; K414-K733 PolarHBondContact O-NZ 3.48Å
415T98.6Very high98.6Very high0 Ų017.9 Ų17.90%09%0.092CC..  trans-116.9137.7175.8-1770000110.4C411 N412 Q417 Q418 I423C411-T415 WeakPolarHBondContact O-CB 3.43Å; C411-T415 WeakPolarHBondContact O-CG2 3.29Å; N412-T415 WeakPolarHBondContact O-CG2 3.42Å; T415-Q417 PolarHBondContact O-N 3.15Å; T415-Q417 PolarHBondContact OG1-N 2.91Å; T415-Q418 HydrophobicContact CG2-CB 4.23Å; T415-Q418 WeakPolarHBondContact O-CB 3.4Å; T415-Q418 PolarHBondContact O-N 2.96Å; T415-I423 HydrophobicContact CG2-CD1 3.63Å
416N98.8Very high98.6Very high6 Ų617.9 Ų17.93%0.0329%0.092CC..THydrogen-bonded Turntrans-70.5-11.5172.4-171.746.5000112.9Q418 N419 Y553 S559 P560 V561 S596 L597N416-Q418 VanDerWaalsContact C-N 3.31Å; N416-N419 PolarHBondContact O-OD1 2.75Å; N416-Y553 PolarHBondContact ND2-OH 2.81Å; N416-S559 WeakPolarHBondContact O-CB 3.03Å; N416-P560 WeakPolarHBondContact O-CD 3.44Å; N416-P560 VanDerWaalsContact OD1-CD 3.32Å; N416-P560 WeakPolarHBondContact OD1-CD 3.44Å; N416-V561 HydrophobicContact CB-CG1 4.45Å; N416-V561 VanDerWaalsContact ND2-CG2 3.28Å; N416-V561 WeakPolarHBondContact ND2-CG2 3.22Å; N416-V561 WeakPolarHBondContact OD1-CG1 3.48Å; N416-V561 VanDerWaalsContact OD1-CG2 3.3Å; N416-V561 WeakPolarHBondContact OD1-CG2 3.45Å; N416-V561 PolarHBondContact OD1-N 2.91Å; N416-S596 WeakPolarHBondContact CB-O 3.42Å; N416-S596 PolarHBondContact ND2-O 3.4Å; N416-L597 HydrophobicContact CB-CD2 4.07Å
417Q98.7Very high98.5Very high4 Ų417.9 Ų17.92%0.0199%0.092CC..THydrogen-bonded Turntrans-89.210.9174.5-72-173.1-5.900113.6T415 N419 L420 S596 L597T415-Q417 PolarHBondContact O-N 3.15Å; T415-Q417 PolarHBondContact OG1-N 2.91Å; Q417-N419 PolarHBondContact O-N 3.38Å; Q417-L420 HydrophobicContact CB-CD1 3.91Å; Q417-L420 HydrophobicContact CB-CG 4.33Å; Q417-L420 HydrophobicContact CG-CD1 3.95Å; Q417-L420 WeakPolarHBondContact O-CB 3.47Å; Q417-L420 WeakPolarHBondContact O-CG 3.37Å; Q417-L420 PolarHBondContact O-N 2.84Å; Q417-S596 PolarHBondContact NE2-OG 3.24Å; Q417-L597 HydrophobicContact CG-CD1 3.95Å; Q417-L597 HydrophobicContact CG-CG 4.19Å
418Q96.5Very high98.4Very high88 Ų8818.5 Ų18.541%0.41110%0.095SC..G310 helixtrans-51.5-32-179.2168.7-176.4-18.500113.3T415 N416 L420 P560T415-Q418 HydrophobicContact CG2-CB 4.23Å; T415-Q418 WeakPolarHBondContact O-CB 3.4Å; T415-Q418 PolarHBondContact O-N 2.96Å; N416-Q418 VanDerWaalsContact C-N 3.31Å; Q418-L420 PolarHBondContact O-N 2.86Å; Q418-P560 HydrophobicContact CB-CG 4.39Å
419N98.2Very high98.4Very high61 Ų6119.3 Ų19.333%0.32610%0.101SC..G310 helixtrans-72.8-8.2-178.763.2-58.8000114.4N416 Q417 T555 S559N416-N419 PolarHBondContact O-OD1 2.75Å; Q417-N419 PolarHBondContact O-N 3.38Å; N419-T555 PolarHBondContact ND2-O 3.26Å; N419-S559 WeakPolarHBondContact OD1-CA 3.37Å
420L98.4Very high98.4Very high32 Ų3219.3 Ų19.317%0.16810%0.101CC..G310 helixtrans-86.8-24.2179.8-55.8-176.3000112.9Q417 Q418 Y435 T555Q417-L420 HydrophobicContact CB-CD1 3.91Å; Q417-L420 HydrophobicContact CB-CG 4.33Å; Q417-L420 HydrophobicContact CG-CD1 3.95Å; Q417-L420 WeakPolarHBondContact O-CB 3.47Å; Q417-L420 WeakPolarHBondContact O-CG 3.37Å; Q417-L420 PolarHBondContact O-N 2.84Å; Q418-L420 PolarHBondContact O-N 2.86Å; L420-Y435 HydrophobicContact CB-CD1 3.85Å; L420-Y435 HydrophobicContact CB-CD2 4Å; L420-Y435 HydrophobicContact CB-CE1 4.31Å; L420-Y435 HydrophobicContact CB-CE2 4.46Å; L420-Y435 HydrophobicContact CB-CG 3.67Å; L420-Y435 HydrophobicContact CD1-CD1 4.16Å; L420-Y435 HydrophobicContact CD1-CG 4.16Å; L420-Y435 WeakPolarHBondContact O-CE2 3.46Å; L420-T555 HydrophobicContact CD2-CG2 3.94Å
421G98Very high98.4Very high32 Ų3219.2 Ų19.233%0.3310%0.099SC..  trans129-172-173.300000111.6I423G421-I423 PolarHBondContact O-N 3Å
422T98.7Very high98.4Very high9 Ų919.2 Ų19.26%0.05510%0.099CC..  trans-73.7125.3-178.7-61.50000111.1E361 W363 N412E361-T422 WeakPolarHBondContact O-CB 3.25Å; E361-T422 PolarHBondContact O-OG1 2.75Å; W363-T422 HydrophobicContact CB-CG2 4.47Å; N412-T422 WeakPolarHBondContact OD1-CA 3.44Å
423I98.8Very high98.4Very high0 Ų019.1 Ų19.10%010%0.099CC..  trans-75.6126.5169.6-58.4-179.5000108.7W333 N412 T415 G421 S425 V433 E434W333-I423 HydrophobicContact CH2-CG2 4.38Å; W333-I423 HydrophobicContact CZ2-CG2 4.18Å; W333-I423 WeakPolarHBondContact CZ2-O 3.37Å; W333-I423 PolarHBondContact NE1-O 2.71Å; N412-I423 PolarHBondContact ND2-O 3.27Å; N412-I423 PolarHBondContact OD1-N 2.97Å; T415-I423 HydrophobicContact CG2-CD1 3.63Å; G421-I423 PolarHBondContact O-N 3Å; I423-S425 WeakPolarHBondContact CG2-O 3.46Å; I423-V433 HydrophobicContact CD1-CG1 3.84Å; I423-V433 HydrophobicContact CG2-CG1 3.95Å; I423-E434 WeakPolarHBondContact CG2-O 3.28Å
424K98.6Very high98.4Very high24 Ų2414.4 Ų14.410%0.1048%0.081CC..  trans-101.4-13.5-169.1-56.1-169.2176.9-162.90115.2A222 A251 D360 E361A222-K424 HydrophobicContact CB-CD 4.21Å; A251-K424 HydrophobicContact CB-CB 3.92Å; D360-K424 IonicContact OD2-NZ 3.63Å; D360-K424 PolarHBondContact OD2-NZ 2.85Å; E361-K424 VanDerWaalsContact CD-CE 3.41Å; E361-K424 WeakPolarHBondContact OE1-CE 3.35Å; E361-K424 IonicContact OE1-NZ 2.68Å; E361-K424 PolarHBondContact OE1-NZ 3.33Å; E361-K424 WeakPolarHBondContact OE2-CE 3.15Å; E361-K424 IonicContact OE2-NZ 2.78Å; E361-K424 PolarHBondContact OE2-NZ 3.44Å
425S98.6Very high98.4Very high0 Ų015.6 Ų15.60%09%0.086CC..  trans-164.3-178-176.962.10000112I423I423-S425 WeakPolarHBondContact CG2-O 3.46Å
426S98.7Very high98.4Very high0 Ų015.6 Ų15.60%09%0.086CC..  trans-119.9-171.3165.9-179.70000109.8G249 Y300 T430 I432G249-S426 WeakPolarHBondContact CA-O 3.47Å; Y300-S426 WeakPolarHBondContact CE2-O 3.29Å; Y300-S426 WeakPolarHBondContact OH-CB 3.39Å; S426-T430 WeakPolarHBondContact OG-CA 3.41Å; S426-I432 WeakPolarHBondContact CA-O 3.49Å; S426-I432 WeakPolarHBondContact CB-O 3.46Å; S426-I432 PolarHBondContact OG-O 2.94Å
427N98.1Very high98.3Very high0 Ų016.5 Ų16.50%09%0.092CC..  trans-88.2-168.2-179.169.5-43000112.9C218 L220 Y300 C429 T430 E431 I432C218-N427 HydrophobicContact CB-CB 4Å; L220-N427 HydrophobicContact CD1-CB 3.83Å; L220-N427 HydrophobicContact CG-CB 4.05Å; Y300-N427 WeakPolarHBondContact CE2-O 3.43Å; Y300-N427 PolarHBondContact OH-O 3.5Å; N427-C429 VanDerWaalsContact C-N 3.27Å; N427-C429 PolarHBondContact ND2-N 3.21Å; N427-C429 PolarHBondContact O-N 3.47Å; N427-T430 PolarHBondContact OD1-N 3.18Å; N427-E431 PolarHBondContact ND2-OE1 2.83Å; N427-E431 PolarHBondContact ND2-OE2 3.21Å; N427-E431 PolarHBondContact OD1-N 3.38Å; N427-E431 VanDerWaalsContact OD1-N 3.14Å; N427-E431 PolarHBondContact OD1-OE2 3.49Å; N427-I432 HydrophobicContact CB-CB 3.88Å; N427-I432 HydrophobicContact CB-CG1 4.21Å; N427-I432 PolarHBondContact OD1-N 3.44Å
428L96.8Very high98.1Very high13 Ų1323.2 Ų23.27%0.06812%0.117CC..THydrogen-bonded Turntrans-55.9-39.2174.8178.562.1000113.5A296 F329 Y404A296-L428 HydrophobicContact CB-CD1 3.96Å; A296-L428 HydrophobicContact CB-CD2 3.68Å; F329-L428 HydrophobicContact CD2-CD1 3.82Å; F329-L428 HydrophobicContact CE2-CD1 4.37Å; F329-L428 HydrophobicContact CG-CD1 4.48Å; Y404-L428 WeakPolarHBondContact CE2-O 3.31Å
429C97.7Very high98Very high18 Ų1822.9 Ų22.912%0.12212%0.118CC..THydrogen-bonded Turntrans-106.66.2-169.5-66.60000114N427 E431 P603 S707 Y737N427-C429 VanDerWaalsContact C-N 3.27Å; N427-C429 PolarHBondContact ND2-N 3.21Å; N427-C429 PolarHBondContact O-N 3.47Å; C429-E431 VanDerWaalsContact C-N 3.32Å; C429-E431 WeakPolarHBondContact CA-OE2 3.34Å; C429-E431 WeakPolarHBondContact CB-OE2 3.27Å; C429-E431 PolarHBondContact O-N 3.01Å; C429-P603 HydrophobicContact CB-CG 3.85Å; C429-S707 WeakPolarHBondContact O-CB 3.49Å; C429-S707 PolarHBondContact O-OG 2.76Å; C429-Y737 PolarHBondContact SG-OH 3.11Å
430T98.6Very high98Very high0 Ų020.7 Ų20.70%011%0.106CC..SBendtrans68.613.2173.1720000116.7Y404 L406 S426 N427 T734 Y737Y404-T430 HydrophobicContact CD2-CG2 3.38Å; Y404-T430 HydrophobicContact CE2-CG2 4.12Å; Y404-T430 HydrophobicContact CG-CG2 3.77Å; L406-T430 HydrophobicContact CD1-CG2 3.91Å; L406-T430 HydrophobicContact CD2-CG2 4.45Å; S426-T430 WeakPolarHBondContact OG-CA 3.41Å; N427-T430 PolarHBondContact OD1-N 3.18Å; T430-T734 PolarHBondContact O-OG1 2.83Å; T430-T734 WeakPolarHBondContact OG1-CG2 3.38Å; T430-Y737 HydrophobicContact CG2-CD2 3.78Å; T430-Y737 HydrophobicContact CG2-CE2 4.37Å
431E98.8Very high98Very high2 Ų219.4 Ų19.41%0.00910%0.099CC..  trans-97.2-21.3177.578.3-71.7-171.500113.6N427 C429 A600 M602 Q704 S705 S707N427-E431 PolarHBondContact ND2-OE1 2.83Å; N427-E431 PolarHBondContact ND2-OE2 3.21Å; N427-E431 PolarHBondContact OD1-N 3.38Å; N427-E431 VanDerWaalsContact OD1-N 3.14Å; N427-E431 PolarHBondContact OD1-OE2 3.49Å; C429-E431 VanDerWaalsContact C-N 3.32Å; C429-E431 WeakPolarHBondContact CA-OE2 3.34Å; C429-E431 WeakPolarHBondContact CB-OE2 3.27Å; C429-E431 PolarHBondContact O-N 3.01Å; E431-A600 HydrophobicContact CB-CB 4.41Å; E431-A600 HydrophobicContact CG-CB 4.01Å; E431-M602 HydrophobicContact CG-CB 3.88Å; E431-M602 WeakPolarHBondContact OE1-CB 3.31Å; E431-Q704 WeakPolarHBondContact O-CB 3.22Å; E431-S705 CarbonylContact O-C 3.5Å; E431-S705 VanDerWaalsContact O-CA 3.31Å; E431-S705 WeakPolarHBondContact O-CA 3.3Å; E431-S705 WeakPolarHBondContact O-CB 3.16Å; E431-S705 PolarHBondContact O-N 2.93Å; E431-S707 PolarHBondContact OE2-OG 2.96Å
432I98.7Very high98.1Very high0 Ų017.9 Ų17.90%08%0.084CC..  trans-99.4130.1-174.2-56.1-56.8000111.1L220 S426 N427 E434 C444 L446 A600 Q704L220-I432 HydrophobicContact CD1-CB 4.28Å; L220-I432 HydrophobicContact CD1-CG2 3.61Å; L220-I432 HydrophobicContact CD2-CG2 4.22Å; S426-I432 WeakPolarHBondContact CA-O 3.49Å; S426-I432 WeakPolarHBondContact CB-O 3.46Å; S426-I432 PolarHBondContact OG-O 2.94Å; N427-I432 HydrophobicContact CB-CB 3.88Å; N427-I432 HydrophobicContact CB-CG1 4.21Å; N427-I432 PolarHBondContact OD1-N 3.44Å; I432-E434 HydrophobicContact CG2-CB 4.16Å; I432-E434 VanDerWaalsContact CG2-CD 3.47Å; I432-E434 HydrophobicContact CG2-CG 3.7Å; I432-E434 WeakPolarHBondContact CG2-OE1 3.27Å; I432-C444 HydrophobicContact CD1-CB 4.15Å; I432-C444 WeakPolarHBondContact CD1-SG 3.19Å; I432-C444 HydrophobicContact CG1-CB 3.91Å; I432-C444 WeakPolarHBondContact CG1-SG 3.45Å; I432-C444 HydrophobicContact CG2-CB 4.37Å; I432-L446 HydrophobicContact CD1-CD2 4.34Å; I432-A600 HydrophobicContact CD1-CB 3.39Å; I432-Q704 VanDerWaalsContact CA-OE1 3.3Å; I432-Q704 VanDerWaalsContact CG2-OE1 3.29Å
433V98.8Very high98Very high0 Ų017.4 Ų17.40%08%0.081CC..  trans-132.583.6-177.9-176.50000107.6W333 C411 I423W333-V433 HydrophobicContact CH2-CG1 4.4Å; C411-V433 HydrophobicContact CB-CG1 3.69Å; I423-V433 HydrophobicContact CD1-CG1 3.84Å; I423-V433 HydrophobicContact CG2-CG1 3.95Å
434E98.8Very high97.7Very high1 Ų117.4 Ų17.41%0.0058%0.081CC..  trans-124.3146.3-173.4-73.7172.7-161.600110.7I423 I432 A442 V443 P500 L597 Q704I423-E434 WeakPolarHBondContact CG2-O 3.28Å; I432-E434 HydrophobicContact CG2-CB 4.16Å; I432-E434 VanDerWaalsContact CG2-CD 3.47Å; I432-E434 HydrophobicContact CG2-CG 3.7Å; I432-E434 WeakPolarHBondContact CG2-OE1 3.27Å; E434-A442 HydrophobicContact CB-CB 3.5Å; E434-A442 WeakPolarHBondContact OE2-CB 3.23Å; E434-V443 PolarHBondContact OE2-N 2.98Å; E434-P500 HydrophobicContact CG-CB 4.28Å; E434-P500 HydrophobicContact CG-CG 4.41Å; E434-P500 WeakPolarHBondContact OE1-CB 3.46Å; E434-L597 HydrophobicContact CG-CD1 3.76Å; E434-Q704 PolarHBondContact OE1-NE2 3.16Å; E434-Q704 PolarHBondContact OE1-OE1 2.64Å
435Y98.8Very high97.6Very high38 Ų3816.3 Ų16.315%0.1498%0.076CC..  trans-63.8142.6178.7177-103.3000112L420 S437 A442L420-Y435 HydrophobicContact CB-CD1 3.85Å; L420-Y435 HydrophobicContact CB-CD2 4Å; L420-Y435 HydrophobicContact CB-CE1 4.31Å; L420-Y435 HydrophobicContact CB-CE2 4.46Å; L420-Y435 HydrophobicContact CB-CG 3.67Å; L420-Y435 HydrophobicContact CD1-CD1 4.16Å; L420-Y435 HydrophobicContact CD1-CG 4.16Å; L420-Y435 WeakPolarHBondContact O-CE2 3.46Å; Y435-S437 WeakPolarHBondContact OH-CB 3.46Å; Y435-A442 WeakPolarHBondContact O-CB 3.41Å
436T98.7Very high97.6Very high0 Ų016.6 Ų16.60%08%0.078CC..  trans-138.5147.9176.449.80000109.6L220 E440 A442L220-T436 HydrophobicContact CB-CG2 3.61Å; L220-T436 WeakPolarHBondContact O-CG2 3.08Å; T436-E440 WeakPolarHBondContact CA-O 3.38Å; T436-A442 HydrophobicContact CG2-CB 3.89Å
437S97.2Very high97.6Very high24 Ų2416.6 Ų16.617%0.1688%0.078CC..BIsolated β-bridgetrans-147.2-176.7175.878.70000109.6Y435 D439 E440Y435-S437 WeakPolarHBondContact OH-CB 3.46Å; S437-D439 PolarHBondContact O-N 2.98Å; S437-D439 PolarHBondContact OG-N 2.81Å; S437-E440 PolarHBondContact N-O 3.4Å; S437-E440 PolarHBondContact O-N 3.39Å; S437-E440 VanDerWaalsContact O-O 3.13Å; S437-E440 PolarHBondContact OG-N 2.98Å
438R93.8Very high97.7Very high146 Ų14616.7 Ų16.755%0.5518%0.078SC*.THydrogen-bonded Turntrans-54.4-37.6172.3178.6-175.4175.2157.512.5112.6E225E225-R438 IonicContact OE1-CZ 2.95Å; E225-R438 IonicContact OE1-NE 3.27Å; E225-R438 IonicContact OE1-NH1 2.72Å; E225-R438 PolarHBondContact OE1-NH1 3.23Å; E225-R438 IonicContact OE1-NH2 2.74Å; E225-R438 PolarHBondContact OE1-NH2 3.01Å
439D95.8Very high97.8Very high81 Ų8116 Ų1643%0.4338%0.075SC..THydrogen-bonded Turntrans-101.40.9-173.6-60.5-23.2000112.8S437 E490 K493S437-D439 PolarHBondContact O-N 2.98Å; S437-D439 PolarHBondContact OG-N 2.81Å; D439-E490 WeakPolarHBondContact O-CA 3.36Å; D439-E490 WeakPolarHBondContact O-CB 3.37Å; D439-K493 VanDerWaalsContact CB-NZ 3.31Å; D439-K493 IonicContact OD2-NZ 2.87Å
440E98.3Very high97.8Very high15 Ų1515.2 Ų15.27%0.077%0.069CC..BIsolated β-bridgetrans-137.7113-170.2-66.5178.3-131.100111.4T436 S437 K493 R497 H498T436-E440 WeakPolarHBondContact CA-O 3.38Å; S437-E440 PolarHBondContact N-O 3.4Å; S437-E440 PolarHBondContact O-N 3.39Å; S437-E440 VanDerWaalsContact O-O 3.13Å; S437-E440 PolarHBondContact OG-N 2.98Å; E440-K493 HydrophobicContact CG-CD 4.49Å; E440-R497 IonicContact OE1-CZ 3.76Å; E440-R497 IonicContact OE1-NH1 3.57Å; E440-R497 PolarHBondContact OE1-NH1 3.45Å; E440-R497 IonicContact OE2-NH1 3.66Å; E440-R497 PolarHBondContact OE2-NH1 2.88Å; E440-R497 VanDerWaalsContact OE2-NH1 3.11Å; E440-H498 IonicContact OE2-CD2 3.7Å; E440-H498 IonicContact OE2-CE1 2.75Å; E440-H498 IonicContact OE2-NE2 2.67Å; E440-H498 PolarHBondContact OE2-NE2 2.91Å
441V98.6Very high97.8Very high4 Ų415.2 Ų15.22%0.0247%0.069CC..  trans-101.6111.8171.41710000107F219 L220 L221 I241 V443 V488 E490 A491 S494F219-V441 HydrophobicContact CB-CG1 4.03Å; F219-V441 HydrophobicContact CD1-CG1 3.99Å; L220-V441 CarbonylContact O-C 3.57Å; L220-V441 WeakPolarHBondContact O-CA 3.43Å; L220-V441 WeakPolarHBondContact O-CG1 3.23Å; L221-V441 HydrophobicContact CD1-CG1 4.1Å; L221-V441 HydrophobicContact CD2-CG2 3.99Å; L221-V441 HydrophobicContact CG-CG1 3.91Å; L221-V441 HydrophobicContact CG-CG2 3.92Å; I241-V441 HydrophobicContact CD1-CG1 4.1Å; V441-V443 WeakPolarHBondContact O-CG2 3.35Å; V441-V488 HydrophobicContact CG2-CG2 4.47Å; V441-E490 HydrophobicContact CB-CB 4.17Å; V441-E490 HydrophobicContact CG2-CB 3.78Å; V441-E490 PolarHBondContact N-O 2.92Å; V441-A491 HydrophobicContact CB-CB 4.19Å; V441-A491 HydrophobicContact CG1-CB 4.22Å; V441-A491 VanDerWaalsContact O-CA 3.29Å; V441-A491 WeakPolarHBondContact O-CA 3.23Å; V441-S494 VanDerWaalsContact O-CB 3.29Å; V441-S494 WeakPolarHBondContact O-CB 3.5Å
442A98.6Very high97.8Very high0 Ų016.6 Ų16.60%08%0.077CC..EExtended strand (participates in β ladder)trans-66.2150.8-179.300000111.4F219 L220 E434 Y435 T436F219-A442 VanDerWaalsContact CA-O 3.24Å; F219-A442 WeakPolarHBondContact CA-O 3.4Å; L220-A442 HydrophobicContact CB-CB 4.06Å; L220-A442 HydrophobicContact CD1-CB 4.19Å; L220-A442 PolarHBondContact N-O 2.9Å; L220-A442 PolarHBondContact O-N 3.37Å; L220-A442 VanDerWaalsContact O-N 3.09Å; E434-A442 HydrophobicContact CB-CB 3.5Å; E434-A442 WeakPolarHBondContact OE2-CB 3.23Å; Y435-A442 WeakPolarHBondContact O-CB 3.41Å; T436-A442 HydrophobicContact CG2-CB 3.89Å
443V97.8Very high97.8Very high0 Ų019.7 Ų19.70%09%0.092CC..EExtended strand (participates in β ladder)trans-137125.8-169.6-174.60000110.6S216 F219 E434 V441 Y486 A491 N495S216-V443 VanDerWaalsContact OG-CG1 3.29Å; S216-V443 WeakPolarHBondContact OG-CG1 3.27Å; F219-V443 HydrophobicContact CD1-CG1 4.44Å; F219-V443 HydrophobicContact CD1-CG2 3.88Å; F219-V443 HydrophobicContact CE1-CB 4.49Å; F219-V443 HydrophobicContact CE1-CG1 4.01Å; F219-V443 HydrophobicContact CE1-CG2 3.84Å; F219-V443 HydrophobicContact CZ-CG1 4.44Å; E434-V443 PolarHBondContact OE2-N 2.98Å; V441-V443 WeakPolarHBondContact O-CG2 3.35Å; V443-Y486 HydrophobicContact CG1-CE1 4.33Å; V443-Y486 HydrophobicContact CG2-CD1 4.42Å; V443-Y486 HydrophobicContact CG2-CE1 4.25Å; V443-A491 HydrophobicContact CG2-CB 3.59Å; V443-A491 WeakPolarHBondContact CG2-O 3.5Å; V443-N495 HydrophobicContact CB-CB 4.05Å; V443-N495 HydrophobicContact CG2-CB 4.14Å
444C92.9Very high97.8Very high0 Ų019.9 Ų19.90%09%0.093CC..EExtended strand (participates in β ladder)trans-102.3122.5-177.6-172.40000113.7S216 S217 C218 I432 L446S216-C444 CarbonylContact C-O 3.49Å; S216-C444 WeakPolarHBondContact CA-O 3.48Å; S216-C444 WeakPolarHBondContact CB-O 3.06Å; S217-C444 PolarHBondContact N-O 2.7Å; C218-C444 HydrophobicContact CB-CB 3.98Å; C218-C444 PolarHBondContact O-N 2.9Å; I432-C444 HydrophobicContact CD1-CB 4.15Å; I432-C444 WeakPolarHBondContact CD1-SG 3.19Å; I432-C444 HydrophobicContact CG1-CB 3.91Å; I432-C444 WeakPolarHBondContact CG1-SG 3.45Å; I432-C444 HydrophobicContact CG2-CB 4.37Å; C444-L446 WeakPolarHBondContact SG-CD2 3.46Å; C444-L446 WeakPolarHBondContact SG-CG 3.49Å
445N96.6Very high97.8Very high1 Ų121 Ų211%0.00510%0.099CC..  trans-108.2113.5177.4-49.3-69.9000109.3S216 L477 I480 N495 P500 G502S216-N445 PolarHBondContact OG-OD1 3.16Å; N445-L477 HydrophobicContact CB-CD2 4.35Å; N445-I480 HydrophobicContact CB-CG2 4.29Å; N445-N495 PolarHBondContact ND2-ND2 2.98Å; N445-N495 PolarHBondContact ND2-OD1 3.25Å; N445-P500 PolarHBondContact ND2-O 3.17Å; N445-P500 VanDerWaalsContact ND2-O 3.08Å; N445-G502 PolarHBondContact O-N 3.27Å
446L98.3Very high97.7Very high6 Ų620.7 Ų20.73%0.03110%0.102CC..EExtended strand (participates in β ladder)trans-119.7141.7-162.7-67.6179.4000114.6A201 I432 C444 G502 M602A201-L446 HydrophobicContact CB-CB 3.7Å; A201-L446 WeakPolarHBondContact CB-O 3.38Å; A201-L446 PolarHBondContact N-O 2.79Å; I432-L446 HydrophobicContact CD1-CD2 4.34Å; C444-L446 WeakPolarHBondContact SG-CD2 3.46Å; C444-L446 WeakPolarHBondContact SG-CG 3.49Å; L446-G502 WeakPolarHBondContact CA-O 3.41Å; L446-G502 VanDerWaalsContact CD2-O 3.22Å; L446-G502 WeakPolarHBondContact CD2-O 3.4Å; L446-M602 HydrophobicContact CB-CE 4.2Å; L446-M602 HydrophobicContact CD1-CB 4.17Å; L446-M602 HydrophobicContact CD1-CG 4.11Å
447A98.6Very high97.5Very high0 Ų026.4 Ų26.40%014%0.139CC..EExtended strand (participates in β ladder)trans-148.8155.4166.200000110.3T199 I473 L477 G502 G504T199-A447 CarbonylContact O-C 3.43Å; T199-A447 WeakPolarHBondContact O-CA 3.17Å; A447-I473 HydrophobicContact CB-CG2 3.69Å; A447-L477 HydrophobicContact CB-CD1 4.15Å; A447-L477 HydrophobicContact CB-CD2 4.1Å; A447-L477 HydrophobicContact CB-CG 4.36Å; A447-G502 PolarHBondContact N-O 2.83Å; A447-G504 PolarHBondContact O-N 3.4Å
448S98.8Very high97.4Very high1 Ų132.2 Ų32.21%0.00716%0.163CC..EExtended strand (participates in β ladder)trans-128.9137177.257.40000113.7F198 T199 G504 Q506F198-S448 CarbonylContact C-O 3.48Å; F198-S448 VanDerWaalsContact CA-O 3.26Å; F198-S448 WeakPolarHBondContact CA-O 3.39Å; F198-S448 WeakPolarHBondContact CB-O 3.44Å; T199-S448 PolarHBondContact N-O 2.63Å; T199-S448 PolarHBondContact O-N 3.11Å; S448-G504 WeakPolarHBondContact CA-O 3.37Å; S448-Q506 PolarHBondContact OG-NE2 3.49Å
449L98.9Very high97.4Very high0 Ų031.9 Ų31.90%016%0.162CC..EExtended strand (participates in β ladder)trans-77.8136.3172.6-69151.9000110.5F198 L451 Y454 L466 V469 T470 I473 I503 G504 V505 Q506 I535F198-L449 HydrophobicContact CB-CD2 4.3Å; L449-L451 HydrophobicContact CB-CD2 4.47Å; L449-L451 PolarHBondContact O-N 3.02Å; L449-Y454 HydrophobicContact CD2-CE2 4.47Å; L449-Y454 VanDerWaalsContact CD2-OH 3.24Å; L449-Y454 WeakPolarHBondContact CD2-OH 3.43Å; L449-L466 HydrophobicContact CB-CD1 4.45Å; L449-L466 HydrophobicContact CD1-CD1 3.92Å; L449-L466 HydrophobicContact CD2-CD1 4.06Å; L449-L466 HydrophobicContact CG-CD1 4.37Å; L449-V469 HydrophobicContact CD2-CB 4.23Å; L449-V469 HydrophobicContact CD2-CG1 3.76Å; L449-T470 WeakPolarHBondContact CD1-OG1 3.21Å; L449-I473 HydrophobicContact CD1-CD1 4.47Å; L449-I473 HydrophobicContact CD2-CD1 3.47Å; L449-I473 VanDerWaalsContact CD2-CD1 3.47Å; L449-I473 HydrophobicContact CG-CD1 3.67Å; L449-I503 HydrophobicContact CD1-CG2 3.95Å; L449-G504 PolarHBondContact N-O 3.36Å; L449-V505 CarbonylContact O-C 3.59Å; L449-V505 WeakPolarHBondContact O-CA 3.24Å; L449-Q506 WeakPolarHBondContact O-CG 3.16Å; L449-Q506 PolarHBondContact O-N 2.9Å; L449-I535 HydrophobicContact CD1-CD1 3.7Å; L449-I535 HydrophobicContact CD1-CG1 3.73Å; L449-I535 HydrophobicContact CD1-CG2 4.02Å
450A98.8Very high97.5Very high0 Ų030.8 Ų30.80%016%0.161CC..EExtended strand (participates in β ladder)trans-8991.3175.400000110.5K196 W197 N452 M453 Y454 Q506 L611K196-A450 WeakPolarHBondContact O-CB 3.18Å; W197-A450 PolarHBondContact O-N 3.09Å; A450-N452 PolarHBondContact O-N 2.84Å; A450-N452 VanDerWaalsContact O-N 3.15Å; A450-M453 HydrophobicContact CB-CG 3.93Å; A450-M453 WeakPolarHBondContact O-CB 3.44Å; A450-M453 PolarHBondContact O-N 3.45Å; A450-Y454 VanDerWaalsContact O-CD2 3.26Å; A450-Y454 WeakPolarHBondContact O-CD2 3.47Å; A450-Y454 WeakPolarHBondContact O-CE2 3.44Å; A450-Q506 HydrophobicContact CB-CG 4.45Å; A450-L611 HydrophobicContact CB-CD1 3.99Å
451L98.9Very high97.5Very high0 Ų030.9 Ų30.90%016%0.161CC..G310 helixtrans-61.3-29.8-167-65.3-180000113.9L449 M453 Y454 F461 L466 V505 Q506 L508 A511 I531L449-L451 HydrophobicContact CB-CD2 4.47Å; L449-L451 PolarHBondContact O-N 3.02Å; L451-M453 PolarHBondContact O-N 2.99Å; L451-Y454 PolarHBondContact O-N 3.43Å; L451-F461 HydrophobicContact CD2-CZ 4.47Å; L451-L466 HydrophobicContact CD2-CD1 4.34Å; L451-V505 HydrophobicContact CD1-CB 3.68Å; L451-V505 HydrophobicContact CD1-CG1 4.02Å; L451-V505 HydrophobicContact CD1-CG2 3.92Å; L451-V505 HydrophobicContact CD2-CB 4.22Å; L451-V505 HydrophobicContact CD2-CG1 3.93Å; L451-V505 HydrophobicContact CG-CB 3.87Å; L451-V505 HydrophobicContact CG-CG1 4.14Å; L451-Q506 PolarHBondContact N-O 2.79Å; L451-L508 HydrophobicContact CD1-CB 4.01Å; L451-L508 HydrophobicContact CD1-CD1 3.62Å; L451-L508 HydrophobicContact CD1-CG 4.43Å; L451-A511 HydrophobicContact CB-CB 4.05Å; L451-I531 HydrophobicContact CD1-CD1 4.33Å; L451-I531 HydrophobicContact CD1-CG2 4.12Å; L451-I531 HydrophobicContact CD2-CG2 3.68Å
452N98.4Very high97.5Very high31 Ų3133.7 Ų33.717%0.16618%0.176CC..G310 helixtrans-60.2-27.7175.662-55.9000113.6A450 Y454 V455 D510 L514 N613A450-N452 PolarHBondContact O-N 2.84Å; A450-N452 VanDerWaalsContact O-N 3.15Å; N452-Y454 PolarHBondContact O-N 3.03Å; N452-V455 PolarHBondContact O-N 3.33Å; N452-D510 HydrophobicContact CB-CB 3.88Å; N452-L514 HydrophobicContact CB-CD1 3.85Å; N452-N613 VanDerWaalsContact CG-OD1 3.24Å; N452-N613 PolarHBondContact ND2-OD1 3.45Å; N452-N613 VanDerWaalsContact OD1-CG 3.3Å; N452-N613 PolarHBondContact OD1-ND2 2.77Å; N452-N613 PolarHBondContact OD1-OD1 3.1Å; N452-N613 VanDerWaalsContact OD1-OD1 3.12Å
453M98.4Very high97.5Very high66 Ų6635.4 Ų35.433%0.32518%0.183SC..G310 helixtrans-72.5-17.9-178.4-64.3-60.4-6000113.4E195 W197 A450 L451E195-M453 WeakPolarHBondContact O-CE 3.12Å; W197-M453 HydrophobicContact CE3-CB 3.79Å; W197-M453 HydrophobicContact CZ3-CB 3.95Å; W197-M453 WeakPolarHBondContact CZ3-O 3.31Å; A450-M453 HydrophobicContact CB-CG 3.93Å; A450-M453 WeakPolarHBondContact O-CB 3.44Å; A450-M453 PolarHBondContact O-N 3.45Å; L451-M453 PolarHBondContact O-N 2.99Å
454Y98.8Very high97.6Very high3 Ų341 Ų411%0.01221%0.213CC..G310 helixtrans-93.30.7-177.9-54.8-88.9000112.5W197 L449 A450 L451 N452 F461 D462 K465 L466 V469W197-Y454 HydrophobicContact CE3-CD1 4.1Å; W197-Y454 AromaticContact CE3-CE1 3.69Å; W197-Y454 HydrophobicContact CE3-CE1 3.69Å; W197-Y454 HydrophobicContact CE3-CE2 4.47Å; W197-Y454 AromaticContact CE3-CZ 3.89Å; W197-Y454 HydrophobicContact CZ3-CD1 4.01Å; W197-Y454 HydrophobicContact CZ3-CE1 4.05Å; W197-Y454 HydrophobicContact CZ3-CG 4.49Å; W197-Y454 PolarHBondContact O-OH 3.4Å; L449-Y454 HydrophobicContact CD2-CE2 4.47Å; L449-Y454 VanDerWaalsContact CD2-OH 3.24Å; L449-Y454 WeakPolarHBondContact CD2-OH 3.43Å; A450-Y454 VanDerWaalsContact O-CD2 3.26Å; A450-Y454 WeakPolarHBondContact O-CD2 3.47Å; A450-Y454 WeakPolarHBondContact O-CE2 3.44Å; L451-Y454 PolarHBondContact O-N 3.43Å; N452-Y454 PolarHBondContact O-N 3.03Å; Y454-F461 HydrophobicContact CD2-CZ 4.48Å; Y454-F461 HydrophobicContact CG-CE1 4.44Å; Y454-F461 HydrophobicContact CG-CZ 4.27Å; Y454-D462 PolarHBondContact O-N 3.28Å; Y454-K465 HydrophobicContact CD1-CB 4.13Å; Y454-K465 HydrophobicContact CD1-CG 3.95Å; Y454-K465 HydrophobicContact CE1-CB 4.46Å; Y454-K465 HydrophobicContact CE1-CG 3.96Å; Y454-L466 HydrophobicContact CD1-CB 3.8Å; Y454-L466 HydrophobicContact CD1-CD1 4.26Å; Y454-L466 HydrophobicContact CD2-CD1 4.13Å; Y454-L466 HydrophobicContact CE1-CB 4.04Å; Y454-L466 HydrophobicContact CE1-CD1 4.04Å; Y454-L466 HydrophobicContact CE2-CD1 3.91Å; Y454-L466 HydrophobicContact CG-CB 4.29Å; Y454-L466 HydrophobicContact CG-CD1 4.31Å; Y454-V469 HydrophobicContact CE1-CB 4.38Å; Y454-V469 HydrophobicContact CE1-CG2 4.14Å; Y454-V469 WeakPolarHBondContact OH-CB 3.34Å; Y454-V469 WeakPolarHBondContact OH-CG1 3.34Å
455V98.6Very high97.9Very high24 Ų2443.8 Ų43.815%0.14523%0.225CC..BIsolated β-bridgetrans-85120.6172.4-179.40000109.2N452 S460 F461 A511 L514 M515N452-V455 PolarHBondContact O-N 3.33Å; V455-S460 CarbonylContact C-O 3.55Å; V455-S460 WeakPolarHBondContact CA-O 3.4Å; V455-F461 HydrophobicContact CG2-CD2 3.94Å; V455-F461 HydrophobicContact CG2-CE2 4.25Å; V455-A511 HydrophobicContact CG2-CB 4.19Å; V455-L514 HydrophobicContact CB-CB 4.27Å; V455-L514 HydrophobicContact CB-CD1 4.46Å; V455-L514 HydrophobicContact CG1-CB 3.91Å; V455-L514 HydrophobicContact CG2-CB 4.29Å; V455-M515 HydrophobicContact CB-SD 4.42Å; V455-M515 HydrophobicContact CG1-CG 4.11Å; V455-M515 HydrophobicContact CG1-SD 3.59Å; V455-M515 VanDerWaalsContact CG1-SD 3.59Å; V455-M515 HydrophobicContact CG2-CG 3.96Å; V455-M515 HydrophobicContact CG2-SD 4.13Å
456T97.2Very high98Very high32 Ų3243.8 Ų43.820%0.19623%0.225CC..  trans-79.3161.5179.481.60000111.5E458 R459 S460 D462T456-E458 VanDerWaalsContact CB-OE2 3.26Å; T456-E458 WeakPolarHBondContact CB-OE2 3.48Å; T456-E458 PolarHBondContact O-N 3.42Å; T456-E458 VanDerWaalsContact O-N 3.15Å; T456-E458 PolarHBondContact OG1-N 3.25Å; T456-E458 PolarHBondContact OG1-OE2 2.95Å; T456-R459 WeakPolarHBondContact O-CA 3.24Å; T456-R459 PolarHBondContact O-N 3.3Å; T456-S460 WeakPolarHBondContact CG2-OG 3.38Å; T456-S460 PolarHBondContact N-O 3Å; T456-S460 PolarHBondContact OG1-N 3.46Å; T456-S460 PolarHBondContact OG1-OG 3.42Å; T456-D462 HydrophobicContact CG2-CB 4.34Å
457P94Very high98Very high120 Ų12043.9 Ų43.978%0.77923%0.227SC*.THydrogen-bonded Turntrans-55.7-28.7175-26.636.6000114.2R459P457-R459 PolarHBondContact O-N 2.94Å
458E94.6Very high98Very high146 Ų14646.4 Ų46.468%0.68225%0.245SC*.THydrogen-bonded Turntrans-76.93.5176.6-55.769.9-146.900113T456 S460T456-E458 VanDerWaalsContact CB-OE2 3.26Å; T456-E458 WeakPolarHBondContact CB-OE2 3.48Å; T456-E458 PolarHBondContact O-N 3.42Å; T456-E458 VanDerWaalsContact O-N 3.15Å; T456-E458 PolarHBondContact OG1-N 3.25Å; T456-E458 PolarHBondContact OG1-OE2 2.95Å; E458-S460 VanDerWaalsContact C-N 3.33Å
459R95.1Very high98Very high140 Ų14046.4 Ų46.453%0.52825%0.245SC..SBendtrans59.643.4-175.4-52.5178.2-177.9172.2-0.4112T456 P457 M515T456-R459 WeakPolarHBondContact O-CA 3.24Å; T456-R459 PolarHBondContact O-N 3.3Å; P457-R459 PolarHBondContact O-N 2.94Å; R459-M515 VanDerWaalsContact C-SD 3.52Å; R459-M515 WeakPolarHBondContact O-CE 3.26Å; R459-M515 VanDerWaalsContact O-SD 3.36Å
460S97.5Very high98Very high58 Ų5846.4 Ų46.441%0.40625%0.245SC..  trans-110.4160.2166.776.10000109.9V455 T456 E458V455-S460 CarbonylContact C-O 3.55Å; V455-S460 WeakPolarHBondContact CA-O 3.4Å; T456-S460 WeakPolarHBondContact CG2-OG 3.38Å; T456-S460 PolarHBondContact N-O 3Å; T456-S460 PolarHBondContact OG1-N 3.46Å; T456-S460 PolarHBondContact OG1-OG 3.42Å; E458-S460 VanDerWaalsContact C-N 3.33Å
461F98.7Very high98Very high16 Ų1648.2 Ų48.27%0.0725%0.252CS..BIsolated β-bridgetrans-107.8122.8178.6-162.4-77000110.3L451 Y454 V455 F463 L466 A511 L527 I531L451-F461 HydrophobicContact CD2-CZ 4.47Å; Y454-F461 HydrophobicContact CD2-CZ 4.48Å; Y454-F461 HydrophobicContact CG-CE1 4.44Å; Y454-F461 HydrophobicContact CG-CZ 4.27Å; V455-F461 HydrophobicContact CG2-CD2 3.94Å; V455-F461 HydrophobicContact CG2-CE2 4.25Å; F461-F463 HydrophobicContact CB-CE1 4.47Å; F461-F463 HydrophobicContact CB-CE2 4.1Å; F461-F463 HydrophobicContact CB-CZ 3.96Å; F461-F463 AromaticContact CD1-CD1 3.65Å; F461-F463 HydrophobicContact CD1-CD1 3.65Å; F461-F463 HydrophobicContact CD1-CD2 4.43Å; F461-F463 AromaticContact CD1-CE1 3.48Å; F461-F463 HydrophobicContact CD1-CE1 3.48Å; F461-F463 VanDerWaalsContact CD1-CE1 3.48Å; F461-F463 HydrophobicContact CD1-CE2 4.3Å; F461-F463 HydrophobicContact CD1-CG 4.12Å; F461-F463 AromaticContact CD1-CZ 3.84Å; F461-F463 HydrophobicContact CD1-CZ 3.84Å; F461-F463 HydrophobicContact CE1-CD1 4.03Å; F461-F463 HydrophobicContact CE1-CE1 4.02Å; F461-F463 HydrophobicContact CG-CE1 4.18Å; F461-F463 HydrophobicContact CG-CZ 4.15Å; F461-F463 VanDerWaalsContact O-CD2 3.3Å; F461-F463 WeakPolarHBondContact O-CD2 3.36Å; F461-F463 PolarHBondContact O-N 2.65Å; F461-F463 VanDerWaalsContact O-N 3.16Å; F461-L466 HydrophobicContact CE1-CB 4.37Å; F461-L466 HydrophobicContact CE1-CD2 3.76Å; F461-L466 HydrophobicContact CZ-CD2 4.25Å; F461-A511 HydrophobicContact CE2-CB 4.4Å; F461-L527 HydrophobicContact CB-CD1 3.95Å; F461-L527 HydrophobicContact CD1-CD1 4.45Å; F461-L527 HydrophobicContact CD2-CD1 3.91Å; F461-L527 HydrophobicContact CD2-CD2 4.35Å; F461-L527 HydrophobicContact CG-CD1 3.84Å; F461-I531 HydrophobicContact CD1-CG1 4.47Å; F461-I531 HydrophobicContact CD2-CD1 4.37Å; F461-I531 HydrophobicContact CE1-CD1 4.44Å; F461-I531 HydrophobicContact CE1-CG1 3.91Å; F461-I531 HydrophobicContact CE2-CD1 3.7Å; F461-I531 HydrophobicContact CE2-CG1 4.08Å; F461-I531 HydrophobicContact CZ-CD1 3.74Å; F461-I531 HydrophobicContact CZ-CG1 3.67Å
462D98.7Very high98Very high63 Ų6348.3 Ų48.334%0.33725%0.253SS..  trans-85.586.6-177.7-169.9-14.9000111.9Y454 T456 N464 K465 L466Y454-D462 PolarHBondContact O-N 3.28Å; T456-D462 HydrophobicContact CG2-CB 4.34Å; D462-N464 VanDerWaalsContact C-N 3.29Å; D462-N464 PolarHBondContact O-N 3.41Å; D462-N464 PolarHBondContact OD1-N 3.34Å; D462-N464 VanDerWaalsContact OD1-N 3.14Å; D462-K465 HydrophobicContact CB-CB 4.05Å; D462-K465 PolarHBondContact O-N 3.27Å; D462-K465 PolarHBondContact OD1-N 3.07Å; D462-K465 VanDerWaalsContact OD2-CB 3.32Å; D462-K465 WeakPolarHBondContact OD2-CB 3.47Å; D462-L466 PolarHBondContact O-N 2.57Å; D462-L466 VanDerWaalsContact O-N 3.07Å
463F98.8Very high98Very high37 Ų3746.9 Ų46.916%0.16225%0.245CC..Hα-helixtrans-65.9-28.9177.7-61.1-72.3000113.3F461 L466 A467 L527 H530 I531 T534 L578 W579F461-F463 HydrophobicContact CB-CE1 4.47Å; F461-F463 HydrophobicContact CB-CE2 4.1Å; F461-F463 HydrophobicContact CB-CZ 3.96Å; F461-F463 AromaticContact CD1-CD1 3.65Å; F461-F463 HydrophobicContact CD1-CD1 3.65Å; F461-F463 HydrophobicContact CD1-CD2 4.43Å; F461-F463 AromaticContact CD1-CE1 3.48Å; F461-F463 HydrophobicContact CD1-CE1 3.48Å; F461-F463 VanDerWaalsContact CD1-CE1 3.48Å; F461-F463 HydrophobicContact CD1-CE2 4.3Å; F461-F463 HydrophobicContact CD1-CG 4.12Å; F461-F463 AromaticContact CD1-CZ 3.84Å; F461-F463 HydrophobicContact CD1-CZ 3.84Å; F461-F463 HydrophobicContact CE1-CD1 4.03Å; F461-F463 HydrophobicContact CE1-CE1 4.02Å; F461-F463 HydrophobicContact CG-CE1 4.18Å; F461-F463 HydrophobicContact CG-CZ 4.15Å; F461-F463 VanDerWaalsContact O-CD2 3.3Å; F461-F463 WeakPolarHBondContact O-CD2 3.36Å; F461-F463 PolarHBondContact O-N 2.65Å; F461-F463 VanDerWaalsContact O-N 3.16Å; F463-L466 PolarHBondContact O-N 3.04Å; F463-A467 WeakPolarHBondContact O-CB 3.42Å; F463-A467 PolarHBondContact O-N 2.93Å; F463-L527 HydrophobicContact CE1-CD1 4.1Å; F463-L527 HydrophobicContact CZ-CD1 3.73Å; F463-H530 HydrophobicContact CD1-CB 4.36Å; F463-H530 HydrophobicContact CE1-CB 3.48Å; F463-H530 VanDerWaalsContact CE1-CB 3.48Å; F463-H530 HydrophobicContact CZ-CB 3.59Å; F463-I531 HydrophobicContact CE1-CG1 4.24Å; F463-T534 HydrophobicContact CB-CG2 4.25Å; F463-T534 WeakPolarHBondContact CD1-OG1 3.3Å; F463-T534 VanDerWaalsContact O-CG2 3.31Å; F463-T534 WeakPolarHBondContact O-CG2 3.38Å; F463-L578 HydrophobicContact CD1-CD2 4.24Å; F463-L578 HydrophobicContact CG-CD2 4.22Å; F463-W579 HydrophobicContact CB-CZ2 4.31Å
464N98.6Very high98.1Very high117 Ų11743.7 Ų43.763%0.62623%0.23SC*.Hα-helixtrans-71-42.8178.3-72.4-46.9000111D462 L466 A467 S468D462-N464 VanDerWaalsContact C-N 3.29Å; D462-N464 PolarHBondContact O-N 3.41Å; D462-N464 PolarHBondContact OD1-N 3.34Å; D462-N464 VanDerWaalsContact OD1-N 3.14Å; N464-L466 VanDerWaalsContact C-N 3.34Å; N464-A467 PolarHBondContact O-N 2.99Å; N464-S468 PolarHBondContact O-N 3.37Å
465K98.8Very high98.1Very high59 Ų5947.2 Ų47.226%0.25724%0.243SC..Hα-helixtrans-62.7-43.7173.2-175.362.4177.2179.50110.6W197 Y454 D462 A467 S468 V469W197-K465 HydrophobicContact CE3-CG 4.15Å; W197-K465 HydrophobicContact CH2-CG 4.04Å; W197-K465 HydrophobicContact CZ3-CD 4.49Å; W197-K465 HydrophobicContact CZ3-CG 3.7Å; Y454-K465 HydrophobicContact CD1-CB 4.13Å; Y454-K465 HydrophobicContact CD1-CG 3.95Å; Y454-K465 HydrophobicContact CE1-CB 4.46Å; Y454-K465 HydrophobicContact CE1-CG 3.96Å; D462-K465 HydrophobicContact CB-CB 4.05Å; D462-K465 PolarHBondContact O-N 3.27Å; D462-K465 PolarHBondContact OD1-N 3.07Å; D462-K465 VanDerWaalsContact OD2-CB 3.32Å; D462-K465 WeakPolarHBondContact OD2-CB 3.47Å; K465-A467 PolarHBondContact O-N 3.35Å; K465-S468 PolarHBondContact O-N 3.04Å; K465-S468 PolarHBondContact O-OG 2.99Å; K465-V469 HydrophobicContact CD-CG2 4.28Å; K465-V469 WeakPolarHBondContact O-CG2 3.33Å; K465-V469 PolarHBondContact O-N 2.87Å
466L98.9Very high98.1Very high0 Ų046.1 Ų46.10%024%0.237CC..Hα-helixtrans-56.1-48174.9-17963.3000112L449 L451 Y454 F461 D462 F463 N464 V469 T470 I531 T534 I535L449-L466 HydrophobicContact CB-CD1 4.45Å; L449-L466 HydrophobicContact CD1-CD1 3.92Å; L449-L466 HydrophobicContact CD2-CD1 4.06Å; L449-L466 HydrophobicContact CG-CD1 4.37Å; L451-L466 HydrophobicContact CD2-CD1 4.34Å; Y454-L466 HydrophobicContact CD1-CB 3.8Å; Y454-L466 HydrophobicContact CD1-CD1 4.26Å; Y454-L466 HydrophobicContact CD2-CD1 4.13Å; Y454-L466 HydrophobicContact CE1-CB 4.04Å; Y454-L466 HydrophobicContact CE1-CD1 4.04Å; Y454-L466 HydrophobicContact CE2-CD1 3.91Å; Y454-L466 HydrophobicContact CG-CB 4.29Å; Y454-L466 HydrophobicContact CG-CD1 4.31Å; F461-L466 HydrophobicContact CE1-CB 4.37Å; F461-L466 HydrophobicContact CE1-CD2 3.76Å; F461-L466 HydrophobicContact CZ-CD2 4.25Å; D462-L466 PolarHBondContact O-N 2.57Å; D462-L466 VanDerWaalsContact O-N 3.07Å; F463-L466 PolarHBondContact O-N 3.04Å; N464-L466 VanDerWaalsContact C-N 3.34Å; L466-V469 PolarHBondContact O-N 2.99Å; L466-T470 WeakPolarHBondContact O-CB 3.36Å; L466-T470 PolarHBondContact O-N 3.21Å; L466-T470 PolarHBondContact O-OG1 2.8Å; L466-I531 HydrophobicContact CD2-CG2 4.16Å; L466-T534 HydrophobicContact CB-CG2 4.19Å; L466-T534 HydrophobicContact CD2-CG2 3.92Å; L466-T534 HydrophobicContact CG-CG2 4.06Å; L466-I535 HydrophobicContact CD1-CD1 4.46Å; L466-I535 HydrophobicContact CD1-CG1 4.13Å; L466-I535 HydrophobicContact CD2-CD1 4.43Å; L466-I535 HydrophobicContact CD2-CG1 3.97Å; L466-I535 HydrophobicContact CG-CG1 4.1Å
467A98.9Very high98.2Very high9 Ų944.7 Ų44.77%0.07423%0.227CC..Hα-helixtrans-59.7-48.6176.200000111.6F463 N464 K465 V469 T470 K471 T534 A538 W579F463-A467 WeakPolarHBondContact O-CB 3.42Å; F463-A467 PolarHBondContact O-N 2.93Å; N464-A467 PolarHBondContact O-N 2.99Å; K465-A467 PolarHBondContact O-N 3.35Å; A467-V469 PolarHBondContact O-N 3.36Å; A467-T470 WeakPolarHBondContact O-CB 3.33Å; A467-T470 PolarHBondContact O-N 3.04Å; A467-K471 WeakPolarHBondContact O-CG 3.45Å; A467-K471 PolarHBondContact O-N 2.87Å; A467-T534 HydrophobicContact CB-CG2 3.98Å; A467-A538 HydrophobicContact CB-CB 3.73Å; A467-A538 WeakPolarHBondContact O-CB 3.04Å; A467-W579 HydrophobicContact CB-CH2 3.93Å; A467-W579 HydrophobicContact CB-CZ2 4.05Å
468S98.8Very high98.4Very high52 Ų5239.3 Ų39.336%0.36419%0.192SC..Hα-helixtrans-59.7-43.3-178.773.30000113N464 K465 K471 V472N464-S468 PolarHBondContact O-N 3.37Å; K465-S468 PolarHBondContact O-N 3.04Å; K465-S468 PolarHBondContact O-OG 2.99Å; S468-K471 PolarHBondContact O-N 2.95Å; S468-V472 PolarHBondContact O-N 3.32Å
469V98.9Very high98.6Very high1 Ų135.1 Ų35.11%0.00617%0.172CC..Hα-helixtrans-69.7-38.8178.2178.30000110.5L192 W197 F198 L449 Y454 K465 L466 A467 K471 V472 I473L192-V469 HydrophobicContact CD2-CG2 4.01Å; W197-V469 HydrophobicContact CB-CG1 4.18Å; W197-V469 HydrophobicContact CB-CG2 4.25Å; F198-V469 HydrophobicContact CB-CG1 4.27Å; F198-V469 HydrophobicContact CD1-CG1 3.67Å; F198-V469 HydrophobicContact CE1-CG1 4.44Å; F198-V469 HydrophobicContact CG-CG1 4.3Å; L449-V469 HydrophobicContact CD2-CB 4.23Å; L449-V469 HydrophobicContact CD2-CG1 3.76Å; Y454-V469 HydrophobicContact CE1-CB 4.38Å; Y454-V469 HydrophobicContact CE1-CG2 4.14Å; Y454-V469 WeakPolarHBondContact OH-CB 3.34Å; Y454-V469 WeakPolarHBondContact OH-CG1 3.34Å; K465-V469 HydrophobicContact CD-CG2 4.28Å; K465-V469 WeakPolarHBondContact O-CG2 3.33Å; K465-V469 PolarHBondContact O-N 2.87Å; L466-V469 PolarHBondContact O-N 2.99Å; A467-V469 PolarHBondContact O-N 3.36Å; V469-K471 VanDerWaalsContact C-N 3.29Å; V469-K471 PolarHBondContact O-N 3.41Å; V469-V472 WeakPolarHBondContact O-CB 3.46Å; V469-V472 PolarHBondContact O-N 3.02Å; V469-V472 VanDerWaalsContact O-N 3.13Å; V469-I473 HydrophobicContact CG1-CD1 4.3Å; V469-I473 WeakPolarHBondContact O-CG1 3.36Å; V469-I473 PolarHBondContact O-N 3.35Å
470T98.9Very high98.8Very high0 Ų028.4 Ų28.40%015%0.146CC..Hα-helixtrans-58.2-42.2175.9-58.50000111.5L449 L466 A467 V472 I473 V474 I503 I535 A538 A539L449-T470 WeakPolarHBondContact CD1-OG1 3.21Å; L466-T470 WeakPolarHBondContact O-CB 3.36Å; L466-T470 PolarHBondContact O-N 3.21Å; L466-T470 PolarHBondContact O-OG1 2.8Å; A467-T470 WeakPolarHBondContact O-CB 3.33Å; A467-T470 PolarHBondContact O-N 3.04Å; T470-V472 VanDerWaalsContact C-N 3.32Å; T470-V472 PolarHBondContact O-N 2.83Å; T470-I473 WeakPolarHBondContact O-CB 3.36Å; T470-I473 PolarHBondContact O-N 3.14Å; T470-I473 VanDerWaalsContact O-N 3.15Å; T470-V474 PolarHBondContact O-N 3.02Å; T470-I503 HydrophobicContact CG2-CD1 4.11Å; T470-I535 HydrophobicContact CG2-CG2 3.85Å; T470-I535 WeakPolarHBondContact CG2-O 3.45Å; T470-A538 HydrophobicContact CG2-CB 4.06Å; T470-A539 HydrophobicContact CG2-CB 3.99Å
471K98.9Very high98.8Very high38 Ų3825.7 Ų25.717%0.16513%0.127CC..Hα-helixtrans-59.6-40.9175.8-65.3-162.8174.8-172.40112.7A467 S468 V469 V474 R475 A538 E541 A542 E545A467-K471 WeakPolarHBondContact O-CG 3.45Å; A467-K471 PolarHBondContact O-N 2.87Å; S468-K471 PolarHBondContact O-N 2.95Å; V469-K471 VanDerWaalsContact C-N 3.29Å; V469-K471 PolarHBondContact O-N 3.41Å; K471-V474 PolarHBondContact O-N 2.83Å; K471-R475 PolarHBondContact O-N 3.33Å; K471-A538 HydrophobicContact CG-CB 4.32Å; K471-E541 WeakPolarHBondContact CE-OE2 3.32Å; K471-E541 IonicContact NZ-OE1 3.37Å; K471-E541 IonicContact NZ-OE2 3.36Å; K471-E541 PolarHBondContact NZ-OE2 2.55Å; K471-A542 HydrophobicContact CB-CB 3.84Å; K471-A542 HydrophobicContact CD-CB 4.39Å; K471-A542 HydrophobicContact CG-CB 3.86Å; K471-E545 IonicContact NZ-OE1 2.73Å; K471-E545 PolarHBondContact NZ-OE1 2.95Å
472V98.9Very high98.8Very high3 Ų328.4 Ų28.42%0.01814%0.142CC..Hα-helixtrans-63.6-43.4175.41780000110.7E188 L192 S468 V469 T470 V474 R475 N476E188-V472 HydrophobicContact CG-CG2 4.41Å; L192-V472 HydrophobicContact CD1-CB 4Å; L192-V472 HydrophobicContact CD1-CG1 3.86Å; L192-V472 HydrophobicContact CD1-CG2 3.92Å; S468-V472 PolarHBondContact O-N 3.32Å; V469-V472 WeakPolarHBondContact O-CB 3.46Å; V469-V472 PolarHBondContact O-N 3.02Å; V469-V472 VanDerWaalsContact O-N 3.13Å; T470-V472 VanDerWaalsContact C-N 3.32Å; T470-V472 PolarHBondContact O-N 2.83Å; V472-V474 VanDerWaalsContact C-N 3.33Å; V472-V474 PolarHBondContact O-N 3.42Å; V472-R475 PolarHBondContact O-N 3.42Å; V472-N476 PolarHBondContact O-N 2.71Å; V472-N476 PolarHBondContact O-OD1 2.9Å; V472-N476 VanDerWaalsContact O-OD1 3.09Å
473I98.9Very high98.7Very high0 Ų026.9 Ų26.90%013%0.134CC..Hα-helixtrans-58.9-43.8176.8-65.2173.4000111.4F198 A447 L449 V469 T470 R475 N476 L477 I503F198-I473 HydrophobicContact CB-CD1 3.59Å; F198-I473 HydrophobicContact CB-CG1 4.28Å; F198-I473 HydrophobicContact CD1-CD1 4.28Å; F198-I473 HydrophobicContact CD1-CG1 4.09Å; F198-I473 HydrophobicContact CD2-CD1 3.75Å; F198-I473 HydrophobicContact CD2-CG1 3.6Å; F198-I473 HydrophobicContact CE1-CG1 4.3Å; F198-I473 HydrophobicContact CE2-CG1 3.87Å; F198-I473 HydrophobicContact CG-CD1 3.62Å; F198-I473 HydrophobicContact CG-CG1 3.74Å; F198-I473 HydrophobicContact CZ-CG1 4.21Å; A447-I473 HydrophobicContact CB-CG2 3.69Å; L449-I473 HydrophobicContact CD1-CD1 4.47Å; L449-I473 HydrophobicContact CD2-CD1 3.47Å; L449-I473 VanDerWaalsContact CD2-CD1 3.47Å; L449-I473 HydrophobicContact CG-CD1 3.67Å; V469-I473 HydrophobicContact CG1-CD1 4.3Å; V469-I473 WeakPolarHBondContact O-CG1 3.36Å; V469-I473 PolarHBondContact O-N 3.35Å; T470-I473 WeakPolarHBondContact O-CB 3.36Å; T470-I473 PolarHBondContact O-N 3.14Å; T470-I473 VanDerWaalsContact O-N 3.15Å; I473-R475 VanDerWaalsContact C-N 3.35Å; I473-R475 PolarHBondContact O-N 2.94Å; I473-N476 PolarHBondContact O-N 3Å; I473-L477 HydrophobicContact CG2-CD1 3.67Å; I473-L477 HydrophobicContact CG2-CG 4.01Å; I473-L477 WeakPolarHBondContact O-CB 3.39Å; I473-L477 WeakPolarHBondContact O-CG 3.42Å; I473-L477 PolarHBondContact O-N 2.84Å; I473-I503 HydrophobicContact CB-CD1 4.37Å; I473-I503 HydrophobicContact CG2-CD1 3.87Å; I473-I503 HydrophobicContact CG2-CG1 3.81Å
474V98.9Very high98.6Very high0 Ų025.5 Ų25.50%013%0.128CC..Hα-helixtrans-57.8-47.6176.4172.40000111.2T470 K471 V472 N476 L477 N478 I501 I503 A539 A542 L546T470-V474 PolarHBondContact O-N 3.02Å; K471-V474 PolarHBondContact O-N 2.83Å; V472-V474 VanDerWaalsContact C-N 3.33Å; V472-V474 PolarHBondContact O-N 3.42Å; V474-N476 VanDerWaalsContact C-N 3.32Å; V474-N476 PolarHBondContact O-N 2.97Å; V474-L477 PolarHBondContact O-N 2.64Å; V474-N478 VanDerWaalsContact O-CB 3.27Å; V474-N478 WeakPolarHBondContact O-CB 3.45Å; V474-N478 PolarHBondContact O-N 2.82Å; V474-I501 HydrophobicContact CB-CD1 4.27Å; V474-I501 HydrophobicContact CG1-CD1 4.1Å; V474-I501 HydrophobicContact CG2-CD1 4.04Å; V474-I503 HydrophobicContact CG2-CD1 3.6Å; V474-A539 HydrophobicContact CG2-CB 3.8Å; V474-A542 HydrophobicContact CB-CB 3.82Å; V474-A542 HydrophobicContact CG1-CB 3.89Å; V474-A542 HydrophobicContact CG2-CB 4.18Å; V474-L546 HydrophobicContact CG1-CD1 3.96Å
475R98.9Very high98.5Very high77 Ų7724.6 Ų24.629%0.29112%0.117SC..Hα-helixtrans-59.6-43.7177-69.1-172.3-76.6-98.47111.6K471 V472 I473 N478 K479 E545 L546K471-R475 PolarHBondContact O-N 3.33Å; V472-R475 PolarHBondContact O-N 3.42Å; I473-R475 VanDerWaalsContact C-N 3.35Å; I473-R475 PolarHBondContact O-N 2.94Å; R475-N478 PolarHBondContact O-N 2.82Å; R475-K479 WeakPolarHBondContact O-CG 3.46Å; R475-K479 PolarHBondContact O-N 3.25Å; R475-E545 IonicContact NH1-OE2 3.61Å; R475-L546 HydrophobicContact CG-CD1 4.36Å; R475-L546 HydrophobicContact CG-CD2 4.33Å; R475-L546 HydrophobicContact CG-CG 4.5Å
476N98.9Very high98.3Very high1 Ų122.7 Ų22.71%0.00511%0.108CC..Hα-helixtrans-64.1-49.5179.9-65.10.6000111.9I178 H179 T189 V472 I473 V474 N478 K479 I480I178-N476 HydrophobicContact CG2-CB 4.29Å; H179-N476 PolarHBondContact CE1-OD1 2.92Å; H179-N476 PolarHBondContact NE2-OD1 3.03Å; T189-N476 PolarHBondContact OG1-ND2 3.36Å; T189-N476 PolarHBondContact OG1-OD1 3.27Å; V472-N476 PolarHBondContact O-N 2.71Å; V472-N476 PolarHBondContact O-OD1 2.9Å; V472-N476 VanDerWaalsContact O-OD1 3.09Å; I473-N476 PolarHBondContact O-N 3Å; V474-N476 VanDerWaalsContact C-N 3.32Å; V474-N476 PolarHBondContact O-N 2.97Å; N476-N478 VanDerWaalsContact C-N 3.32Å; N476-N478 PolarHBondContact O-N 2.9Å; N476-K479 PolarHBondContact O-N 2.93Å; N476-I480 WeakPolarHBondContact O-CG1 3.41Å; N476-I480 PolarHBondContact O-N 3.42Å
477L98.8Very high98.1Very high1 Ų123.6 Ų23.61%0.00511%0.114CC..Hα-helixtrans-66-35.6179.2-67.1178.7000111.5N445 A447 I473 V474 I480 I481 I501 I503N445-L477 HydrophobicContact CB-CD2 4.35Å; A447-L477 HydrophobicContact CB-CD1 4.15Å; A447-L477 HydrophobicContact CB-CD2 4.1Å; A447-L477 HydrophobicContact CB-CG 4.36Å; I473-L477 HydrophobicContact CG2-CD1 3.67Å; I473-L477 HydrophobicContact CG2-CG 4.01Å; I473-L477 WeakPolarHBondContact O-CB 3.39Å; I473-L477 WeakPolarHBondContact O-CG 3.42Å; I473-L477 PolarHBondContact O-N 2.84Å; V474-L477 PolarHBondContact O-N 2.64Å; L477-I480 HydrophobicContact CD2-CD1 4.01Å; L477-I480 WeakPolarHBondContact O-CB 3.11Å; L477-I480 PolarHBondContact O-N 2.75Å; L477-I481 PolarHBondContact O-N 2.98Å; L477-I501 HydrophobicContact CB-CB 3.93Å; L477-I501 HydrophobicContact CB-CD1 4.17Å; L477-I501 HydrophobicContact CB-CG2 3.65Å; L477-I501 HydrophobicContact CD1-CB 3.98Å; L477-I501 HydrophobicContact CD1-CD1 4.25Å; L477-I501 HydrophobicContact CD1-CG1 4.45Å; L477-I503 HydrophobicContact CD1-CG1 3.84Å
478N98.8Very high98Very high7 Ų723.4 Ų23.44%0.03711%0.112CC..Hα-helixtrans-65.5-39.5173.9179.665.6000112.4V474 R475 N476 I480 I481 R499 L546V474-N478 VanDerWaalsContact O-CB 3.27Å; V474-N478 WeakPolarHBondContact O-CB 3.45Å; V474-N478 PolarHBondContact O-N 2.82Å; R475-N478 PolarHBondContact O-N 2.82Å; N476-N478 VanDerWaalsContact C-N 3.32Å; N476-N478 PolarHBondContact O-N 2.9Å; N478-I480 VanDerWaalsContact C-N 3.34Å; N478-I481 WeakPolarHBondContact O-CB 3.24Å; N478-I481 PolarHBondContact O-N 2.94Å; N478-R499 PolarHBondContact O-NH2 3.37Å; N478-R499 PolarHBondContact OD1-NE 2.66Å; N478-R499 VanDerWaalsContact OD1-NE 3.14Å; N478-R499 PolarHBondContact OD1-NH2 3.37Å; N478-L546 HydrophobicContact CB-CD1 3.95Å
479K98.7Very high97.9Very high58 Ų5825.4 Ų25.425%0.25212%0.124SC..Hα-helixtrans-65.1-37.9171.9-74.2-174.5177.6-171.90111.6I178 H179 D182 R475 N476 I481 D482 I483I178-K479 HydrophobicContact CG2-CB 4.13Å; H179-K479 PolarHBondContact ND1-NZ 3.32Å; D182-K479 IonicContact OD2-NZ 2.89Å; D182-K479 PolarHBondContact OD2-NZ 3.12Å; R475-K479 WeakPolarHBondContact O-CG 3.46Å; R475-K479 PolarHBondContact O-N 3.25Å; N476-K479 PolarHBondContact O-N 2.93Å; K479-I481 VanDerWaalsContact C-N 3.25Å; K479-I481 PolarHBondContact O-N 3.47Å; K479-D482 PolarHBondContact O-N 2.87Å; K479-I483 PolarHBondContact O-N 3.42Å
480I98.6Very high97.9Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-55.2-40.1176.6-78164.8000111.9I178 T204 L215 N445 N476 L477 N478 D482 I483 N484I178-I480 HydrophobicContact CD1-CD1 3.96Å; I178-I480 HydrophobicContact CD1-CG1 4.38Å; I178-I480 HydrophobicContact CG1-CD1 4.17Å; I178-I480 HydrophobicContact CG1-CG1 4.03Å; I178-I480 HydrophobicContact CG2-CG1 4.4Å; T204-I480 HydrophobicContact CG2-CD1 3.93Å; L215-I480 HydrophobicContact CB-CG2 3.86Å; L215-I480 HydrophobicContact CD1-CG1 4.04Å; L215-I480 HydrophobicContact CD1-CG2 4.14Å; N445-I480 HydrophobicContact CB-CG2 4.29Å; N476-I480 WeakPolarHBondContact O-CG1 3.41Å; N476-I480 PolarHBondContact O-N 3.42Å; L477-I480 HydrophobicContact CD2-CD1 4.01Å; L477-I480 WeakPolarHBondContact O-CB 3.11Å; L477-I480 PolarHBondContact O-N 2.75Å; N478-I480 VanDerWaalsContact C-N 3.34Å; I480-D482 PolarHBondContact O-N 2.92Å; I480-I483 HydrophobicContact CG1-CD1 4.21Å; I480-I483 WeakPolarHBondContact O-CG1 3.49Å; I480-I483 PolarHBondContact O-N 3.44Å; I480-N484 WeakPolarHBondContact O-CB 3.32Å; I480-N484 PolarHBondContact O-N 3.35Å
481I98.5Very high97.9Very high0 Ų027.6 Ų27.60%013%0.134CC..Hα-helixtrans-55.6-35.6176.1-64.8165.6000111.4L477 N478 K479 Y486 K496 R499 I501L477-I481 PolarHBondContact O-N 2.98Å; N478-I481 WeakPolarHBondContact O-CB 3.24Å; N478-I481 PolarHBondContact O-N 2.94Å; K479-I481 VanDerWaalsContact C-N 3.25Å; K479-I481 PolarHBondContact O-N 3.47Å; I481-Y486 PolarHBondContact O-OH 3.25Å; I481-K496 HydrophobicContact CG2-CD 4.37Å; I481-R499 HydrophobicContact CD1-CB 3.79Å; I481-I501 HydrophobicContact CD1-CG2 3.91Å
482D97.9Very high97.8Very high73 Ų7330.3 Ų30.339%0.3915%0.147SC..Hα-helixtrans-85.7-29.8-175-64.1-42.9000114.5K479 I480 K496 R499K479-D482 PolarHBondContact O-N 2.87Å; I480-D482 PolarHBondContact O-N 2.92Å; D482-K496 VanDerWaalsContact CA-NZ 3.34Å; D482-K496 IonicContact OD1-NZ 3.67Å; D482-K496 PolarHBondContact OD1-NZ 3.24Å; D482-R499 VanDerWaalsContact CG-NH2 3.29Å; D482-R499 IonicContact OD1-CZ 2.69Å; D482-R499 IonicContact OD1-NH1 3.48Å; D482-R499 PolarHBondContact OD1-NH1 3.06Å; D482-R499 IonicContact OD1-NH2 2.7Å; D482-R499 PolarHBondContact OD1-NH2 3.38Å; D482-R499 IonicContact OD2-CZ 3.88Å; D482-R499 IonicContact OD2-NH1 3.72Å; D482-R499 IonicContact OD2-NH2 2.77Å; D482-R499 PolarHBondContact OD2-NH2 3.29Å
483I96.8Very high97.8Very high31 Ų3134.2 Ų34.216%0.15916%0.164CC..Hα-helixtrans-92.3-17.1-178.966.1-179.2000113.4G177 I178 K180 L215 K479 I480 Y485G177-I483 WeakPolarHBondContact O-CD1 3.35Å; I178-I483 HydrophobicContact CB-CD1 4.48Å; I178-I483 HydrophobicContact CG1-CD1 4.4Å; K180-I483 HydrophobicContact CD-CG2 4.45Å; L215-I483 HydrophobicContact CD1-CD1 3.43Å; L215-I483 VanDerWaalsContact CD1-CD1 3.43Å; L215-I483 HydrophobicContact CD1-CG1 3.61Å; K479-I483 PolarHBondContact O-N 3.42Å; I480-I483 HydrophobicContact CG1-CD1 4.21Å; I480-I483 WeakPolarHBondContact O-CG1 3.49Å; I480-I483 PolarHBondContact O-N 3.44Å; I483-Y485 PolarHBondContact O-N 3.18Å
484N97.1Very high97.8Very high9 Ų934.3 Ų34.35%0.04817%0.165CC..  trans-62.2134.2-173.9-179.668.9000111.6L215 S216 I480 Y486L215-N484 PolarHBondContact N-OD1 3.37Å; S216-N484 PolarHBondContact N-OD1 2.88Å; S216-N484 PolarHBondContact OG-ND2 3.15Å; S216-N484 PolarHBondContact OG-OD1 3.15Å; I480-N484 WeakPolarHBondContact O-CB 3.32Å; I480-N484 PolarHBondContact O-N 3.35Å; N484-Y486 HydrophobicContact CB-CE2 4.14Å; N484-Y486 VanDerWaalsContact ND2-CD1 3.33Å; N484-Y486 WeakPolarHBondContact ND2-CD1 3.34Å; N484-Y486 VanDerWaalsContact ND2-CE1 3.27Å; N484-Y486 WeakPolarHBondContact ND2-CE1 3.47Å; N484-Y486 VanDerWaalsContact O-CD2 3.23Å; N484-Y486 WeakPolarHBondContact O-CD2 3.15Å; N484-Y486 VanDerWaalsContact O-CE2 3.24Å; N484-Y486 WeakPolarHBondContact O-CE2 3.45Å; N484-Y486 PolarHBondContact O-N 3.41Å
485Y95.7Very high97.8Very high97 Ų9734.3 Ų34.338%0.3817%0.165SC..  trans-79.9114.6167.4178.5-88.5000109.6R212 P213 Q214 I483R212-Y485 HydrophobicContact CB-CG 4.39Å; P213-Y485 PolarHBondContact O-N 3.43Å; Q214-Y485 WeakPolarHBondContact CG-O 3.45Å; I483-Y485 PolarHBondContact O-N 3.18Å
486Y96.3Very high97.7Very high19 Ų1934 Ų348%0.07517%0.165CC..  trans-86.3127.8179.7-64-85.9000111.3V443 I481 N484 V488 A491 E492 N495V443-Y486 HydrophobicContact CG1-CE1 4.33Å; V443-Y486 HydrophobicContact CG2-CD1 4.42Å; V443-Y486 HydrophobicContact CG2-CE1 4.25Å; I481-Y486 PolarHBondContact O-OH 3.25Å; N484-Y486 HydrophobicContact CB-CE2 4.14Å; N484-Y486 VanDerWaalsContact ND2-CD1 3.33Å; N484-Y486 WeakPolarHBondContact ND2-CD1 3.34Å; N484-Y486 VanDerWaalsContact ND2-CE1 3.27Å; N484-Y486 WeakPolarHBondContact ND2-CE1 3.47Å; N484-Y486 VanDerWaalsContact O-CD2 3.23Å; N484-Y486 WeakPolarHBondContact O-CD2 3.15Å; N484-Y486 VanDerWaalsContact O-CE2 3.24Å; N484-Y486 WeakPolarHBondContact O-CE2 3.45Å; N484-Y486 PolarHBondContact O-N 3.41Å; Y486-V488 VanDerWaalsContact C-N 3.28Å; Y486-V488 PolarHBondContact O-N 2.89Å; Y486-A491 HydrophobicContact CD1-CB 3.99Å; Y486-E492 HydrophobicContact CD1-CB 4.14Å; Y486-E492 HydrophobicContact CD2-CB 3.54Å; Y486-E492 HydrophobicContact CD2-CG 3.59Å; Y486-E492 HydrophobicContact CE2-CB 4.13Å; Y486-E492 HydrophobicContact CE2-CG 3.86Å; Y486-E492 HydrophobicContact CG-CB 3.55Å; Y486-E492 HydrophobicContact CG-CG 4.15Å; Y486-N495 HydrophobicContact CE1-CB 3.71Å; Y486-N495 PolarHBondContact OH-ND2 2.9Å
487P93.4Very high97.7Very high20 Ų2036.6 Ų36.613%0.1318%0.175CC..SBendtrans-71.5-23.5-179.728.1-34.3000113.1F219 I241F219-P487 HydrophobicContact CE1-CG 3.98Å; F219-P487 HydrophobicContact CZ-CG 3.83Å; I241-P487 HydrophobicContact CB-CG 4.46Å; I241-P487 HydrophobicContact CG1-CB 4.41Å; I241-P487 HydrophobicContact CG1-CG 3.78Å
488V96.7Very high97.7Very high5 Ų536.6 Ų36.63%0.0318%0.175CC..SBendtrans-139.7144.3179.7-60.10000109.7Q237 L240 I241 V441 Y486 E490 A491Q237-V488 HydrophobicContact CB-CG1 4.27Å; Q237-V488 HydrophobicContact CG-CG1 4.23Å; L240-V488 HydrophobicContact CB-CG1 4.05Å; L240-V488 HydrophobicContact CD1-CG1 4.08Å; I241-V488 HydrophobicContact CD1-CG2 4.2Å; I241-V488 HydrophobicContact CG1-CG1 4.38Å; I241-V488 HydrophobicContact CG1-CG2 4.34Å; V441-V488 HydrophobicContact CG2-CG2 4.47Å; Y486-V488 VanDerWaalsContact C-N 3.28Å; Y486-V488 PolarHBondContact O-N 2.89Å; V488-E490 VanDerWaalsContact C-N 3.33Å; V488-E490 WeakPolarHBondContact CB-OE2 3.33Å; V488-E490 PolarHBondContact O-N 3.39Å; V488-A491 HydrophobicContact CG2-CB 3.66Å; V488-A491 WeakPolarHBondContact O-CB 3.2Å; V488-A491 PolarHBondContact O-N 3.49Å
489P97.9Very high97.7Very high93 Ų9336.8 Ų36.860%0.60418%0.175SC*.Hα-helixtrans-66.3-30.1-174.525.2-34.2000114A491 E492 K493P489-A491 PolarHBondContact O-N 3.16Å; P489-E492 PolarHBondContact O-N 2.97Å; P489-K493 PolarHBondContact O-N 3.41Å
490E98.4Very high97.7Very high47 Ų4734 Ų3422%0.2216%0.163CC..Hα-helixtrans-62.4-30.7176.5-58.786.9165.400111.4Q237 D439 V441 V488 S494Q237-E490 PolarHBondContact NE2-OE1 3.14Å; D439-E490 WeakPolarHBondContact O-CA 3.36Å; D439-E490 WeakPolarHBondContact O-CB 3.37Å; V441-E490 HydrophobicContact CB-CB 4.17Å; V441-E490 HydrophobicContact CG2-CB 3.78Å; V441-E490 PolarHBondContact N-O 2.92Å; V488-E490 VanDerWaalsContact C-N 3.33Å; V488-E490 WeakPolarHBondContact CB-OE2 3.33Å; V488-E490 PolarHBondContact O-N 3.39Å; E490-S494 WeakPolarHBondContact O-CB 3.02Å; E490-S494 PolarHBondContact O-N 2.76Å
491A98.3Very high97.7Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-72.2-41.317600000112.2F219 V441 V443 Y486 V488 P489 N495F219-A491 HydrophobicContact CD1-CB 4.12Å; F219-A491 HydrophobicContact CE1-CB 3.93Å; V441-A491 HydrophobicContact CB-CB 4.19Å; V441-A491 HydrophobicContact CG1-CB 4.22Å; V441-A491 VanDerWaalsContact O-CA 3.29Å; V441-A491 WeakPolarHBondContact O-CA 3.23Å; V443-A491 HydrophobicContact CG2-CB 3.59Å; V443-A491 WeakPolarHBondContact CG2-O 3.5Å; Y486-A491 HydrophobicContact CD1-CB 3.99Å; V488-A491 HydrophobicContact CG2-CB 3.66Å; V488-A491 WeakPolarHBondContact O-CB 3.2Å; V488-A491 PolarHBondContact O-N 3.49Å; P489-A491 PolarHBondContact O-N 3.16Å; A491-N495 WeakPolarHBondContact O-CB 3.46Å; A491-N495 PolarHBondContact O-N 3.1Å
492E98.2Very high97.7Very high95 Ų9534 Ų3444%0.44416%0.163SC..Hα-helixtrans-64-46173.9-174.8167.9-162.900111Y486 P489 S494 N495 K496Y486-E492 HydrophobicContact CD1-CB 4.14Å; Y486-E492 HydrophobicContact CD2-CB 3.54Å; Y486-E492 HydrophobicContact CD2-CG 3.59Å; Y486-E492 HydrophobicContact CE2-CB 4.13Å; Y486-E492 HydrophobicContact CE2-CG 3.86Å; Y486-E492 HydrophobicContact CG-CB 3.55Å; Y486-E492 HydrophobicContact CG-CG 4.15Å; P489-E492 PolarHBondContact O-N 2.97Å; E492-S494 PolarHBondContact O-N 2.95Å; E492-N495 PolarHBondContact O-N 3.2Å; E492-K496 HydrophobicContact CG-CG 4.09Å; E492-K496 VanDerWaalsContact O-CB 3.31Å; E492-K496 WeakPolarHBondContact O-CB 3.34Å; E492-K496 WeakPolarHBondContact O-CG 3.37Å; E492-K496 PolarHBondContact O-N 2.89Å
493K98.4Very high97.8Very high86 Ų8630.7 Ų30.737%0.37415%0.145SC..Hα-helixtrans-56.2-53178-175.7-177.1175.1-168.50111.2D439 E440 P489 R497D439-K493 VanDerWaalsContact CB-NZ 3.31Å; D439-K493 IonicContact OD2-NZ 2.87Å; E440-K493 HydrophobicContact CG-CD 4.49Å; P489-K493 PolarHBondContact O-N 3.41Å; K493-R497 WeakPolarHBondContact O-CB 3.46Å; K493-R497 WeakPolarHBondContact O-CG 3.48Å; K493-R497 PolarHBondContact O-N 3.46Å; K493-R497 VanDerWaalsContact O-N 3.14Å
494S98.6Very high97.9Very high2 Ų229.2 Ų29.21%0.01414%0.138CC..Hα-helixtrans-59.9-50.7179.8-175.90000111.7V441 E490 E492 K496 R497 H498V441-S494 VanDerWaalsContact O-CB 3.29Å; V441-S494 WeakPolarHBondContact O-CB 3.5Å; E490-S494 WeakPolarHBondContact O-CB 3.02Å; E490-S494 PolarHBondContact O-N 2.76Å; E492-S494 PolarHBondContact O-N 2.95Å; S494-K496 VanDerWaalsContact C-N 3.34Å; S494-K496 PolarHBondContact O-N 3.13Å; S494-R497 PolarHBondContact O-N 3.47Å; S494-H498 PolarHBondContact O-CD2 3.4Å; S494-H498 PolarHBondContact O-N 2.78Å; S494-H498 VanDerWaalsContact O-N 3.1Å
495N98.1Very high97.9Very high0 Ų028.9 Ų28.90%014%0.136CC..Hα-helixtrans-67.2-34.2-174.2-153.719.6000112.2V443 N445 Y486 A491 E492 R499 P500V443-N495 HydrophobicContact CB-CB 4.05Å; V443-N495 HydrophobicContact CG2-CB 4.14Å; N445-N495 PolarHBondContact ND2-ND2 2.98Å; N445-N495 PolarHBondContact ND2-OD1 3.25Å; Y486-N495 HydrophobicContact CE1-CB 3.71Å; Y486-N495 PolarHBondContact OH-ND2 2.9Å; A491-N495 WeakPolarHBondContact O-CB 3.46Å; A491-N495 PolarHBondContact O-N 3.1Å; E492-N495 PolarHBondContact O-N 3.2Å; N495-R499 WeakPolarHBondContact O-CA 3.44Å; N495-R499 WeakPolarHBondContact O-CG 3.49Å; N495-R499 PolarHBondContact O-N 3.17Å; N495-P500 WeakPolarHBondContact OD1-CD 3.39Å
496K98.3Very high98.1Very high70 Ų7024.2 Ų24.230%0.30412%0.118SC..Hα-helixtrans-73-34.1177.1-67.9-73.5-178.7160.30113.1I481 D482 E492 S494 R499I481-K496 HydrophobicContact CG2-CD 4.37Å; D482-K496 VanDerWaalsContact CA-NZ 3.34Å; D482-K496 IonicContact OD1-NZ 3.67Å; D482-K496 PolarHBondContact OD1-NZ 3.24Å; E492-K496 HydrophobicContact CG-CG 4.09Å; E492-K496 VanDerWaalsContact O-CB 3.31Å; E492-K496 WeakPolarHBondContact O-CB 3.34Å; E492-K496 WeakPolarHBondContact O-CG 3.37Å; E492-K496 PolarHBondContact O-N 2.89Å; S494-K496 VanDerWaalsContact C-N 3.34Å; S494-K496 PolarHBondContact O-N 3.13Å; K496-R499 WeakPolarHBondContact O-CG 3.36Å
497R98.5Very high98.2Very high56 Ų5623.3 Ų23.321%0.21111%0.114CC..Hα-helixtrans-73.9-42.9-179.4-73.1-179.370.6-135.812.7113.1E440 K493 S494 E554E440-R497 IonicContact OE1-CZ 3.76Å; E440-R497 IonicContact OE1-NH1 3.57Å; E440-R497 PolarHBondContact OE1-NH1 3.45Å; E440-R497 IonicContact OE2-NH1 3.66Å; E440-R497 PolarHBondContact OE2-NH1 2.88Å; E440-R497 VanDerWaalsContact OE2-NH1 3.11Å; K493-R497 WeakPolarHBondContact O-CB 3.46Å; K493-R497 WeakPolarHBondContact O-CG 3.48Å; K493-R497 PolarHBondContact O-N 3.46Å; K493-R497 VanDerWaalsContact O-N 3.14Å; S494-R497 PolarHBondContact O-N 3.47Å; R497-E554 IonicContact NE-OE1 2.61Å; R497-E554 PolarHBondContact NE-OE1 3.47Å; R497-E554 VanDerWaalsContact NE-OE1 3.16Å; R497-E554 WeakPolarHBondContact O-CB 3.48Å; R497-E554 PolarHBondContact O-N 2.88Å
498H98.7Very high98.4Very high1 Ų122.4 Ų22.41%0.00511%0.108CC..Hα-helixtrans-107.4-24.3-171.3-46.4-52.1000113E440 S494 P500 T555 S596E440-H498 IonicContact OE2-CD2 3.7Å; E440-H498 IonicContact OE2-CE1 2.75Å; E440-H498 IonicContact OE2-NE2 2.67Å; E440-H498 PolarHBondContact OE2-NE2 2.91Å; S494-H498 PolarHBondContact O-CD2 3.4Å; S494-H498 PolarHBondContact O-N 2.78Å; S494-H498 VanDerWaalsContact O-N 3.1Å; H498-P500 VanDerWaalsContact C-CD 3.41Å; H498-T555 PolarHBondContact ND1-OG1 3.24Å; H498-S596 WeakPolarHBondContact O-CB 3.28Å; H498-S596 PolarHBondContact O-N 2.93Å; H498-S596 PolarHBondContact O-OG 3.4Å
499R98.8Very high98.5Very high11 Ų1122.3 Ų22.34%0.04211%0.108CC..  trans51.344.3178-52.2-171.27192.70.3114.8N478 I481 D482 N495 K496 N595N478-R499 PolarHBondContact O-NH2 3.37Å; N478-R499 PolarHBondContact OD1-NE 2.66Å; N478-R499 VanDerWaalsContact OD1-NE 3.14Å; N478-R499 PolarHBondContact OD1-NH2 3.37Å; I481-R499 HydrophobicContact CD1-CB 3.79Å; D482-R499 VanDerWaalsContact CG-NH2 3.29Å; D482-R499 IonicContact OD1-CZ 2.69Å; D482-R499 IonicContact OD1-NH1 3.48Å; D482-R499 PolarHBondContact OD1-NH1 3.06Å; D482-R499 IonicContact OD1-NH2 2.7Å; D482-R499 PolarHBondContact OD1-NH2 3.38Å; D482-R499 IonicContact OD2-CZ 3.88Å; D482-R499 IonicContact OD2-NH1 3.72Å; D482-R499 IonicContact OD2-NH2 2.77Å; D482-R499 PolarHBondContact OD2-NH2 3.29Å; N495-R499 WeakPolarHBondContact O-CA 3.44Å; N495-R499 WeakPolarHBondContact O-CG 3.49Å; N495-R499 PolarHBondContact O-N 3.17Å; K496-R499 WeakPolarHBondContact O-CG 3.36Å; R499-N595 WeakPolarHBondContact O-CA 3.18Å; R499-N595 VanDerWaalsContact O-CB 3.25Å; R499-N595 WeakPolarHBondContact O-CB 3.42Å; R499-N595 PolarHBondContact O-ND2 2.84Å
500P98.8Very high98.6Very high0 Ų018 Ų180%08%0.08CC..  trans-69.8147.2179.233.3-37000111.8E434 N445 N495 H498 L597E434-P500 HydrophobicContact CG-CB 4.28Å; E434-P500 HydrophobicContact CG-CG 4.41Å; E434-P500 WeakPolarHBondContact OE1-CB 3.46Å; N445-P500 PolarHBondContact ND2-O 3.17Å; N445-P500 VanDerWaalsContact ND2-O 3.08Å; N495-P500 WeakPolarHBondContact OD1-CD 3.39Å; H498-P500 VanDerWaalsContact C-CD 3.41Å; P500-L597 HydrophobicContact CB-CB 4.17Å
501I98.8Very high98.6Very high0 Ų015.8 Ų15.80%07%0.07CC..  trans-132.4161.2170.568.2177000109.1V474 L477 I481 I503 L597 L598 Q704V474-I501 HydrophobicContact CB-CD1 4.27Å; V474-I501 HydrophobicContact CG1-CD1 4.1Å; V474-I501 HydrophobicContact CG2-CD1 4.04Å; L477-I501 HydrophobicContact CB-CB 3.93Å; L477-I501 HydrophobicContact CB-CD1 4.17Å; L477-I501 HydrophobicContact CB-CG2 3.65Å; L477-I501 HydrophobicContact CD1-CB 3.98Å; L477-I501 HydrophobicContact CD1-CD1 4.25Å; L477-I501 HydrophobicContact CD1-CG1 4.45Å; I481-I501 HydrophobicContact CD1-CG2 3.91Å; I501-I503 HydrophobicContact CD1-CD1 4.33Å; I501-I503 HydrophobicContact CD1-CG1 4.5Å; I501-L597 WeakPolarHBondContact CG1-O 3.44Å; I501-L597 PolarHBondContact N-O 3.38Å; I501-L597 CarbonylContact O-C 3.54Å; I501-L598 HydrophobicContact CD1-CD2 3.73Å; I501-L598 HydrophobicContact CG1-CD2 3.93Å; I501-L598 CarbonylContact O-C 3.6Å; I501-L598 WeakPolarHBondContact O-CA 3.49Å; I501-L598 PolarHBondContact O-N 3.36Å; I501-Q704 PolarHBondContact O-NE2 2.97Å
502G98.5Very high98.6Very high0 Ų015.9 Ų15.90%07%0.07CC..EExtended strand (participates in β ladder)trans-132.1102.6177.400000111.6N445 L446 A447 L598N445-G502 PolarHBondContact O-N 3.27Å; L446-G502 WeakPolarHBondContact CA-O 3.41Å; L446-G502 VanDerWaalsContact CD2-O 3.22Å; L446-G502 WeakPolarHBondContact CD2-O 3.4Å; A447-G502 PolarHBondContact N-O 2.83Å; G502-L598 CarbonylContact C-O 3.6Å
503I98.9Very high98.6Very high2 Ų212 Ų121%0.015%0.052CC..EExtended strand (participates in β ladder)trans-91121.4172.6-57.9177000108L449 T470 I473 V474 L477 I501 I535 A539 L598 L599 A600L449-I503 HydrophobicContact CD1-CG2 3.95Å; T470-I503 HydrophobicContact CG2-CD1 4.11Å; I473-I503 HydrophobicContact CB-CD1 4.37Å; I473-I503 HydrophobicContact CG2-CD1 3.87Å; I473-I503 HydrophobicContact CG2-CG1 3.81Å; V474-I503 HydrophobicContact CG2-CD1 3.6Å; L477-I503 HydrophobicContact CD1-CG1 3.84Å; I501-I503 HydrophobicContact CD1-CD1 4.33Å; I501-I503 HydrophobicContact CD1-CG1 4.5Å; I503-I535 HydrophobicContact CG2-CG2 3.97Å; I503-A539 HydrophobicContact CD1-CB 4.2Å; I503-L598 WeakPolarHBondContact CG1-O 3.36Å; I503-L598 PolarHBondContact N-O 3.37Å; I503-L599 HydrophobicContact CB-CD1 4.44Å; I503-L599 WeakPolarHBondContact O-CA 3.36Å; I503-A600 PolarHBondContact O-N 3.03Å
504G98.6Very high98.6Very high1 Ų110.8 Ų10.81%0.015%0.05CC..EExtended strand (participates in β ladder)trans-112.9-169.7172.900000112.4A447 S448 L449A447-G504 PolarHBondContact O-N 3.4Å; S448-G504 WeakPolarHBondContact CA-O 3.37Å; L449-G504 PolarHBondContact N-O 3.36Å
505V98.9Very high98.6Very high1 Ų111.3 Ų11.31%0.0065%0.052CC..EExtended strand (participates in β ladder)trans-133.7166.8177.5-59.50000110L449 L451 F532 I535 S616 I617L449-V505 CarbonylContact O-C 3.59Å; L449-V505 WeakPolarHBondContact O-CA 3.24Å; L451-V505 HydrophobicContact CD1-CB 3.68Å; L451-V505 HydrophobicContact CD1-CG1 4.02Å; L451-V505 HydrophobicContact CD1-CG2 3.92Å; L451-V505 HydrophobicContact CD2-CB 4.22Å; L451-V505 HydrophobicContact CD2-CG1 3.93Å; L451-V505 HydrophobicContact CG-CB 3.87Å; L451-V505 HydrophobicContact CG-CG1 4.14Å; V505-F532 HydrophobicContact CG1-CE1 4.17Å; V505-F532 HydrophobicContact CG1-CZ 4.08Å; V505-F532 HydrophobicContact CG2-CE1 4.36Å; V505-F532 HydrophobicContact CG2-CZ 3.67Å; V505-I535 HydrophobicContact CG1-CD1 3.56Å; V505-S616 WeakPolarHBondContact O-CA 3.34Å; V505-I617 HydrophobicContact CG2-CG2 3.47Å; V505-I617 VanDerWaalsContact CG2-CG2 3.47Å
506Q98.7Very high98.6Very high0 Ų015 Ų150%07%0.066CC..EExtended strand (participates in β ladder)trans-147.9159.3167.153.7172.8-75.200109S448 L449 A450 L451 T604 A608 N613S448-Q506 PolarHBondContact OG-NE2 3.49Å; L449-Q506 WeakPolarHBondContact O-CG 3.16Å; L449-Q506 PolarHBondContact O-N 2.9Å; A450-Q506 HydrophobicContact CB-CG 4.45Å; L451-Q506 PolarHBondContact N-O 2.79Å; Q506-T604 HydrophobicContact CB-CG2 4.11Å; Q506-A608 HydrophobicContact CB-CB 4.19Å; Q506-N613 PolarHBondContact OE1-ND2 2.89Å
507G98.4Very high98.6Very high0 Ų014.8 Ų14.80%06%0.064CC..  trans68.532179.600000114.3D510 A511 N614G507-D510 WeakPolarHBondContact CA-OD2 3.48Å; G507-D510 PolarHBondContact O-N 3.06Å; G507-A511 PolarHBondContact O-N 3.5Å; G507-N614 PolarHBondContact N-O 2.61Å
508L98.8Very high98.6Very high0 Ų013.7 Ų13.70%06%0.064CC..Hα-helixtrans-60.8-45.8173.7-176.765.6000111.2L451 D510 A511 F512 I531 S616 I617L451-L508 HydrophobicContact CD1-CB 4.01Å; L451-L508 HydrophobicContact CD1-CD1 3.62Å; L451-L508 HydrophobicContact CD1-CG 4.43Å; L508-D510 VanDerWaalsContact C-N 3.31Å; L508-D510 PolarHBondContact O-N 3.2Å; L508-A511 PolarHBondContact O-N 2.99Å; L508-F512 HydrophobicContact CD1-CE1 3.8Å; L508-F512 HydrophobicContact CD1-CE2 4.17Å; L508-F512 HydrophobicContact CD1-CZ 3.59Å; L508-F512 HydrophobicContact CD2-CE2 4.07Å; L508-F512 HydrophobicContact CD2-CZ 4.05Å; L508-F512 HydrophobicContact CG-CD2 4.39Å; L508-F512 HydrophobicContact CG-CE1 4.3Å; L508-F512 HydrophobicContact CG-CE2 3.76Å; L508-F512 HydrophobicContact CG-CZ 3.71Å; L508-F512 WeakPolarHBondContact O-CG 3.32Å; L508-F512 PolarHBondContact O-N 3.42Å; L508-I531 HydrophobicContact CD1-CD1 4.23Å; L508-S616 PolarHBondContact N-O 3.38Å; L508-I617 HydrophobicContact CD2-CB 3.84Å; L508-I617 HydrophobicContact CD2-CG2 4.01Å
509A98.5Very high98.6Very high4 Ų414.5 Ų14.53%0.0337%0.067CC..Hα-helixtrans-62.3-38.5175.700000112.4F512 I513 F519 N614 E618 Y620A509-F512 PolarHBondContact O-N 3.36Å; A509-I513 WeakPolarHBondContact O-CD1 3.28Å; A509-I513 VanDerWaalsContact O-CG1 3.24Å; A509-I513 WeakPolarHBondContact O-CG1 3.3Å; A509-I513 PolarHBondContact O-N 3.06Å; A509-F519 HydrophobicContact CB-CE2 4.47Å; A509-N614 HydrophobicContact CB-CB 4.31Å; A509-E618 WeakPolarHBondContact CB-O 3.42Å; A509-Y620 HydrophobicContact CB-CD2 3.78Å; A509-Y620 HydrophobicContact CB-CE2 4.02Å
510D98.5Very high98.6Very high2 Ų216.2 Ų16.21%0.0118%0.076CC..Hα-helixtrans-63.1-43.8175.5-57.6-68.4000111.4N452 G507 L508 F512 I513 L514 N614 Y620 H640N452-D510 HydrophobicContact CB-CB 3.88Å; G507-D510 WeakPolarHBondContact CA-OD2 3.48Å; G507-D510 PolarHBondContact O-N 3.06Å; L508-D510 VanDerWaalsContact C-N 3.31Å; L508-D510 PolarHBondContact O-N 3.2Å; D510-F512 VanDerWaalsContact C-N 3.35Å; D510-F512 PolarHBondContact O-N 2.97Å; D510-I513 PolarHBondContact O-N 2.81Å; D510-L514 WeakPolarHBondContact O-CB 3.46Å; D510-L514 VanDerWaalsContact O-CG 3.22Å; D510-L514 WeakPolarHBondContact O-CG 3.39Å; D510-L514 PolarHBondContact O-N 3.19Å; D510-N614 WeakPolarHBondContact OD2-CB 3.32Å; D510-N614 PolarHBondContact OD2-N 2.93Å; D510-Y620 WeakPolarHBondContact OD1-CE2 3.36Å; D510-Y620 PolarHBondContact OD1-OH 3.14Å; D510-H640 IonicContact OD1-CD2 3.87Å; D510-H640 IonicContact OD1-CE1 2.71Å; D510-H640 IonicContact OD1-NE2 2.99Å; D510-H640 PolarHBondContact OD1-NE2 3.16Å
511A98.8Very high98.5Very high0 Ų016.9 Ų16.90%08%0.08CC..Hα-helixtrans-60.6-43.7176.600000111.7L451 V455 F461 G507 L508 L514 M515L451-A511 HydrophobicContact CB-CB 4.05Å; V455-A511 HydrophobicContact CG2-CB 4.19Å; F461-A511 HydrophobicContact CE2-CB 4.4Å; G507-A511 PolarHBondContact O-N 3.5Å; L508-A511 PolarHBondContact O-N 2.99Å; A511-L514 PolarHBondContact O-N 3.31Å; A511-M515 WeakPolarHBondContact O-CB 3.44Å; A511-M515 WeakPolarHBondContact O-CG 3.4Å; A511-M515 PolarHBondContact O-N 3.3Å
512F98.8Very high98.5Very high3 Ų321.4 Ų21.41%0.01311%0.11CC..Hα-helixtrans-61.4-45.4174.9-66.3-18.9000112.4L508 A509 D510 L514 M515 R516 Y517 F519 A524 L527 N528 M694L508-F512 HydrophobicContact CD1-CE1 3.8Å; L508-F512 HydrophobicContact CD1-CE2 4.17Å; L508-F512 HydrophobicContact CD1-CZ 3.59Å; L508-F512 HydrophobicContact CD2-CE2 4.07Å; L508-F512 HydrophobicContact CD2-CZ 4.05Å; L508-F512 HydrophobicContact CG-CD2 4.39Å; L508-F512 HydrophobicContact CG-CE1 4.3Å; L508-F512 HydrophobicContact CG-CE2 3.76Å; L508-F512 HydrophobicContact CG-CZ 3.71Å; L508-F512 WeakPolarHBondContact O-CG 3.32Å; L508-F512 PolarHBondContact O-N 3.42Å; A509-F512 PolarHBondContact O-N 3.36Å; D510-F512 VanDerWaalsContact C-N 3.35Å; D510-F512 PolarHBondContact O-N 2.97Å; F512-L514 PolarHBondContact O-N 2.88Å; F512-M515 CarbonylContact O-C 3.01Å; F512-M515 PolarHBondContact O-N 3.35Å; F512-R516 PolarHBondContact O-N 3.02Å; F512-Y517 PolarHBondContact O-N 2.97Å; F512-F519 AromaticContact CD2-CD2 3.65Å; F512-F519 HydrophobicContact CD2-CD2 3.65Å; F512-F519 AromaticContact CD2-CE2 3.94Å; F512-F519 HydrophobicContact CD2-CE2 3.94Å; F512-F519 HydrophobicContact CD2-CG 4.18Å; F512-F519 AromaticContact CE2-CD2 3.95Å; F512-F519 HydrophobicContact CE2-CD2 3.95Å; F512-F519 AromaticContact CE2-CE2 3.88Å; F512-F519 HydrophobicContact CE2-CE2 3.88Å; F512-F519 HydrophobicContact CE2-CG 4.34Å; F512-F519 HydrophobicContact CE2-CZ 4.21Å; F512-A524 HydrophobicContact CD1-CB 4.12Å; F512-A524 HydrophobicContact CD2-CB 4.15Å; F512-A524 HydrophobicContact CE1-CB 4.07Å; F512-A524 HydrophobicContact CE2-CB 4.1Å; F512-A524 HydrophobicContact CG-CB 4.16Å; F512-A524 HydrophobicContact CZ-CB 4.06Å; F512-A524 WeakPolarHBondContact CZ-O 3.43Å; F512-L527 HydrophobicContact CD1-CD2 3.99Å; F512-L527 HydrophobicContact CE1-CB 4.32Å; F512-L527 HydrophobicContact CE1-CD2 4.12Å; F512-L527 HydrophobicContact CE1-CG 4.25Å; F512-N528 HydrophobicContact CZ-CB 4.2Å; F512-M694 HydrophobicContact CE2-CE 3.7Å; F512-M694 HydrophobicContact CZ-CE 3.69Å
513I98.6Very high98.5Very high12 Ų1225.9 Ų25.96%0.06213%0.131CC..Hα-helixtrans-62.9-44178.4-68.5162.4000111.1A509 D510 M515 R516 Y620 H640 L679 Y680A509-I513 WeakPolarHBondContact O-CD1 3.28Å; A509-I513 VanDerWaalsContact O-CG1 3.24Å; A509-I513 WeakPolarHBondContact O-CG1 3.3Å; A509-I513 PolarHBondContact O-N 3.06Å; D510-I513 PolarHBondContact O-N 2.81Å; I513-M515 VanDerWaalsContact C-N 3.31Å; I513-M515 PolarHBondContact O-N 2.91Å; I513-R516 WeakPolarHBondContact O-CA 3.31Å; I513-R516 WeakPolarHBondContact O-CD 3.41Å; I513-R516 PolarHBondContact O-N 3.27Å; I513-Y620 HydrophobicContact CD1-CD2 3.81Å; I513-Y620 HydrophobicContact CD1-CE2 3.75Å; I513-H640 HydrophobicContact CG2-CB 3.54Å; I513-L679 HydrophobicContact CG2-CD2 4.4Å; I513-Y680 HydrophobicContact CD1-CD1 4.25Å; I513-Y680 HydrophobicContact CD1-CE1 3.98Å; I513-Y680 HydrophobicContact CG1-CE1 4.17Å; I513-Y680 HydrophobicContact CG2-CE1 3.73Å
514L98.5Very high98.5Very high62 Ų6225.8 Ų25.833%0.32513%0.13SC..Hα-helixtrans-63.6-36.5178.1-70.6171.2000112.3N452 V455 D510 A511 F512 R516N452-L514 HydrophobicContact CB-CD1 3.85Å; V455-L514 HydrophobicContact CB-CB 4.27Å; V455-L514 HydrophobicContact CB-CD1 4.46Å; V455-L514 HydrophobicContact CG1-CB 3.91Å; V455-L514 HydrophobicContact CG2-CB 4.29Å; D510-L514 WeakPolarHBondContact O-CB 3.46Å; D510-L514 VanDerWaalsContact O-CG 3.22Å; D510-L514 WeakPolarHBondContact O-CG 3.39Å; D510-L514 PolarHBondContact O-N 3.19Å; A511-L514 PolarHBondContact O-N 3.31Å; F512-L514 PolarHBondContact O-N 2.88Å; L514-R516 PolarHBondContact O-N 3.29Å
515M98.4Very high98.5Very high12 Ų1227.4 Ų27.46%0.05914%0.138CC..Hα-helixtrans-75.4-10.3173.2-66.6-67.8-66.400113.4V455 R459 A511 F512 I513 Y517 L527V455-M515 HydrophobicContact CB-SD 4.42Å; V455-M515 HydrophobicContact CG1-CG 4.11Å; V455-M515 HydrophobicContact CG1-SD 3.59Å; V455-M515 VanDerWaalsContact CG1-SD 3.59Å; V455-M515 HydrophobicContact CG2-CG 3.96Å; V455-M515 HydrophobicContact CG2-SD 4.13Å; R459-M515 VanDerWaalsContact C-SD 3.52Å; R459-M515 WeakPolarHBondContact O-CE 3.26Å; R459-M515 VanDerWaalsContact O-SD 3.36Å; A511-M515 WeakPolarHBondContact O-CB 3.44Å; A511-M515 WeakPolarHBondContact O-CG 3.4Å; A511-M515 PolarHBondContact O-N 3.3Å; F512-M515 CarbonylContact O-C 3.01Å; F512-M515 PolarHBondContact O-N 3.35Å; I513-M515 VanDerWaalsContact C-N 3.31Å; I513-M515 PolarHBondContact O-N 2.91Å; M515-Y517 HydrophobicContact CB-CD1 4.42Å; M515-Y517 HydrophobicContact CB-CD2 3.62Å; M515-Y517 HydrophobicContact CB-CE1 4.43Å; M515-Y517 HydrophobicContact CB-CE2 3.65Å; M515-Y517 HydrophobicContact CB-CG 4.01Å; M515-Y517 HydrophobicContact CE-CE2 3.7Å; M515-Y517 WeakPolarHBondContact CE-OH 3.48Å; M515-Y517 HydrophobicContact CG-CD2 4.46Å; M515-Y517 HydrophobicContact CG-CE2 4.27Å; M515-Y517 WeakPolarHBondContact O-CD1 3.3Å; M515-Y517 WeakPolarHBondContact O-CE1 3.4Å; M515-L527 HydrophobicContact CG-CD2 4Å
516R98.1Very high98.5Very high78 Ų7831.5 Ų31.529%0.29416%0.159SC..THydrogen-bonded Turntrans65.635.9-174-52.1-62.4179.2168.64.1114F512 I513 L514 D644F512-R516 PolarHBondContact O-N 3.02Å; I513-R516 WeakPolarHBondContact O-CA 3.31Å; I513-R516 WeakPolarHBondContact O-CD 3.41Å; I513-R516 PolarHBondContact O-N 3.27Å; L514-R516 PolarHBondContact O-N 3.29Å; R516-D644 IonicContact CZ-OD1 2.69Å; R516-D644 IonicContact CZ-OD2 3.16Å; R516-D644 VanDerWaalsContact NH1-CG 3.25Å; R516-D644 IonicContact NH1-OD1 3.37Å; R516-D644 PolarHBondContact NH1-OD1 3.35Å; R516-D644 IonicContact NH1-OD2 3.73Å; R516-D644 PolarHBondContact NH1-OD2 2.95Å; R516-D644 IonicContact NH2-OD1 3.97Å; R516-D644 PolarHBondContact NH2-OD1 2.68Å; R516-D644 IonicContact NH2-OD2 3.55Å
517Y98.6Very high98.5Very high65 Ų6531.9 Ų31.926%0.25516%0.161SC..  trans-104.1117.6176.1-56.7-24000110.2F512 M515 E523 L527F512-Y517 PolarHBondContact O-N 2.97Å; M515-Y517 HydrophobicContact CB-CD1 4.42Å; M515-Y517 HydrophobicContact CB-CD2 3.62Å; M515-Y517 HydrophobicContact CB-CE1 4.43Å; M515-Y517 HydrophobicContact CB-CE2 3.65Å; M515-Y517 HydrophobicContact CB-CG 4.01Å; M515-Y517 HydrophobicContact CE-CE2 3.7Å; M515-Y517 WeakPolarHBondContact CE-OH 3.48Å; M515-Y517 HydrophobicContact CG-CD2 4.46Å; M515-Y517 HydrophobicContact CG-CE2 4.27Å; M515-Y517 WeakPolarHBondContact O-CD1 3.3Å; M515-Y517 WeakPolarHBondContact O-CE1 3.4Å; Y517-E523 HydrophobicContact CD1-CB 3.77Å; Y517-E523 HydrophobicContact CD1-CG 4.32Å; Y517-E523 HydrophobicContact CD2-CB 3.82Å; Y517-E523 HydrophobicContact CE1-CB 3.9Å; Y517-E523 HydrophobicContact CE1-CG 4.21Å; Y517-E523 HydrophobicContact CE2-CB 3.92Å; Y517-E523 HydrophobicContact CG-CB 3.76Å; Y517-L527 HydrophobicContact CD2-CD2 4.06Å; Y517-L527 HydrophobicContact CE2-CD2 4.12Å
518P98.6Very high98.5Very high33 Ų3331.9 Ų31.921%0.21416%0.161CC..  trans-53142.3165.4-26.235.7000110.4E520 S521 A524 Q678P518-E520 PolarHBondContact O-N 2.81Å; P518-S521 VanDerWaalsContact O-CB 3.29Å; P518-S521 WeakPolarHBondContact O-CB 3.34Å; P518-S521 PolarHBondContact O-N 2.79Å; P518-S521 PolarHBondContact O-OG 3.19Å; P518-A524 VanDerWaalsContact O-CB 3.3Å; P518-A524 WeakPolarHBondContact O-CB 3.33Å; P518-Q678 HydrophobicContact CB-CB 4.28Å; P518-Q678 WeakPolarHBondContact CB-O 3.37Å; P518-Q678 HydrophobicContact CG-CB 3.93Å
519F98.4Very high98.5Very high18 Ų1833.7 Ų33.78%0.07917%0.17CC..THydrogen-bonded Turntrans-55.9-33.1-173.4-160.6-79.2000113.2A509 F512 A619 I686 V691 M694A509-F519 HydrophobicContact CB-CE2 4.47Å; F512-F519 AromaticContact CD2-CD2 3.65Å; F512-F519 HydrophobicContact CD2-CD2 3.65Å; F512-F519 AromaticContact CD2-CE2 3.94Å; F512-F519 HydrophobicContact CD2-CE2 3.94Å; F512-F519 HydrophobicContact CD2-CG 4.18Å; F512-F519 AromaticContact CE2-CD2 3.95Å; F512-F519 HydrophobicContact CE2-CD2 3.95Å; F512-F519 AromaticContact CE2-CE2 3.88Å; F512-F519 HydrophobicContact CE2-CE2 3.88Å; F512-F519 HydrophobicContact CE2-CG 4.34Å; F512-F519 HydrophobicContact CE2-CZ 4.21Å; F519-A619 HydrophobicContact CD2-CB 3.75Å; F519-A619 HydrophobicContact CE2-CB 3.72Å; F519-A619 HydrophobicContact CG-CB 4.23Å; F519-A619 HydrophobicContact CZ-CB 4.17Å; F519-I686 HydrophobicContact CB-CD1 3.72Å; F519-I686 HydrophobicContact CD1-CD1 4.29Å; F519-I686 HydrophobicContact CD1-CG2 4.39Å; F519-I686 HydrophobicContact CG-CD1 3.97Å; F519-V691 HydrophobicContact CE1-CG2 4.49Å; F519-M694 HydrophobicContact CD1-SD 4.02Å; F519-M694 HydrophobicContact CE1-CE 4.21Å; F519-M694 HydrophobicContact CE1-SD 3.79Å
520E97.6Very high98.6Very high47 Ų4735.4 Ų35.422%0.2218%0.177CC..THydrogen-bonded Turntrans-88.7-4.3-178.3-60.9178105.100113.7P518 Q525 K681 I686 S687 T690P518-E520 PolarHBondContact O-N 2.81Å; E520-Q525 PolarHBondContact O-NE2 3.18Å; E520-K681 IonicContact OE2-NZ 3.35Å; E520-K681 PolarHBondContact OE2-NZ 3.03Å; E520-I686 HydrophobicContact CG-CB 4.45Å; E520-I686 HydrophobicContact CG-CG1 4.29Å; E520-I686 HydrophobicContact CG-CG2 3.79Å; E520-S687 VanDerWaalsContact OE1-CB 3.24Å; E520-S687 WeakPolarHBondContact OE1-CB 2.9Å; E520-S687 PolarHBondContact OE1-N 3.02Å; E520-T690 HydrophobicContact CB-CG2 4.16Å; E520-T690 HydrophobicContact CG-CG2 4.06Å
521S98.4Very high98.6Very high14 Ų1435.3 Ų35.310%0.09818%0.177CC..SBendtrans-69.8153.1-172.8940000112.2P518 E523 A524 Q525P518-S521 VanDerWaalsContact O-CB 3.29Å; P518-S521 WeakPolarHBondContact O-CB 3.34Å; P518-S521 PolarHBondContact O-N 2.79Å; P518-S521 PolarHBondContact O-OG 3.19Å; S521-E523 WeakPolarHBondContact CB-OE2 3.41Å; S521-E523 PolarHBondContact O-N 3.47Å; S521-E523 PolarHBondContact OG-N 3.16Å; S521-E523 PolarHBondContact OG-OE2 3.44Å; S521-A524 PolarHBondContact O-N 3.49Å; S521-A524 PolarHBondContact OG-N 2.86Å; S521-Q525 WeakPolarHBondContact O-CG 3.31Å; S521-Q525 PolarHBondContact O-N 3.4Å
522P98.5Very high98.6Very high95 Ų9535.4 Ų35.462%0.61718%0.177SC*.Hα-helixtrans-56-35.6174-25.535.5000113.2Q525 L526P522-Q525 PolarHBondContact O-N 3.21Å; P522-L526 WeakPolarHBondContact O-CB 3.42Å; P522-L526 PolarHBondContact O-N 3.2Å
523E98.5Very high98.6Very high95 Ų9535.2 Ų35.244%0.44418%0.177SC..Hα-helixtrans-65.7-43.1177.8-5676-166.200111.5Y517 S521 L526 L527Y517-E523 HydrophobicContact CD1-CB 3.77Å; Y517-E523 HydrophobicContact CD1-CG 4.32Å; Y517-E523 HydrophobicContact CD2-CB 3.82Å; Y517-E523 HydrophobicContact CE1-CB 3.9Å; Y517-E523 HydrophobicContact CE1-CG 4.21Å; Y517-E523 HydrophobicContact CE2-CB 3.92Å; Y517-E523 HydrophobicContact CG-CB 3.76Å; S521-E523 WeakPolarHBondContact CB-OE2 3.41Å; S521-E523 PolarHBondContact O-N 3.47Å; S521-E523 PolarHBondContact OG-N 3.16Å; S521-E523 PolarHBondContact OG-OE2 3.44Å; E523-L526 PolarHBondContact O-N 2.89Å; E523-L527 VanDerWaalsContact O-CB 3.28Å; E523-L527 WeakPolarHBondContact O-CB 3.28Å; E523-L527 PolarHBondContact O-N 2.87Å
524A98.7Very high98.6Very high0 Ų034.7 Ų34.70%017%0.174CC..Hα-helixtrans-64.9-38.9174.600000112F512 P518 S521 L527 N528F512-A524 HydrophobicContact CD1-CB 4.12Å; F512-A524 HydrophobicContact CD2-CB 4.15Å; F512-A524 HydrophobicContact CE1-CB 4.07Å; F512-A524 HydrophobicContact CE2-CB 4.1Å; F512-A524 HydrophobicContact CG-CB 4.16Å; F512-A524 HydrophobicContact CZ-CB 4.06Å; F512-A524 WeakPolarHBondContact CZ-O 3.43Å; P518-A524 VanDerWaalsContact O-CB 3.3Å; P518-A524 WeakPolarHBondContact O-CB 3.33Å; S521-A524 PolarHBondContact O-N 3.49Å; S521-A524 PolarHBondContact OG-N 2.86Å; A524-L527 PolarHBondContact O-N 3.24Å; A524-N528 VanDerWaalsContact O-CB 3.28Å; A524-N528 WeakPolarHBondContact O-CB 3.28Å; A524-N528 PolarHBondContact O-N 2.75Å
525Q98.6Very high98.6Very high35 Ų3531.8 Ų31.816%0.16416%0.159CC..Hα-helixtrans-63.5-44.1175.3-68.4177.845.700111.8E520 S521 P522 N528 I529 M694E520-Q525 PolarHBondContact O-NE2 3.18Å; S521-Q525 WeakPolarHBondContact O-CG 3.31Å; S521-Q525 PolarHBondContact O-N 3.4Å; P522-Q525 PolarHBondContact O-N 3.21Å; Q525-N528 WeakPolarHBondContact O-CB 3.46Å; Q525-N528 PolarHBondContact O-N 2.85Å; Q525-I529 PolarHBondContact O-N 2.85Å; Q525-I529 VanDerWaalsContact O-N 3.16Å; Q525-M694 HydrophobicContact CG-CG 3.91Å; Q525-M694 HydrophobicContact CG-SD 4.17Å
526L98.6Very high98.7Very high86 Ų8631.4 Ų31.445%0.4516%0.157SC..Hα-helixtrans-67.7-42.8176.7-177.161.6000111.9P522 E523 N528 I529 H530P522-L526 WeakPolarHBondContact O-CB 3.42Å; P522-L526 PolarHBondContact O-N 3.2Å; E523-L526 PolarHBondContact O-N 2.89Å; L526-N528 VanDerWaalsContact C-N 3.3Å; L526-N528 PolarHBondContact O-N 3.41Å; L526-I529 WeakPolarHBondContact O-CB 3.14Å; L526-I529 PolarHBondContact O-N 2.64Å; L526-I529 VanDerWaalsContact O-N 3.13Å; L526-H530 PolarHBondContact O-N 3.31Å
527L98.8Very high98.7Very high9 Ų928.5 Ų28.55%0.04715%0.146CC..Hα-helixtrans-62.5-38.9176.2-179.658.1000111.4F461 F463 F512 M515 Y517 E523 A524 I529 H530 I531F461-L527 HydrophobicContact CB-CD1 3.95Å; F461-L527 HydrophobicContact CD1-CD1 4.45Å; F461-L527 HydrophobicContact CD2-CD1 3.91Å; F461-L527 HydrophobicContact CD2-CD2 4.35Å; F461-L527 HydrophobicContact CG-CD1 3.84Å; F463-L527 HydrophobicContact CE1-CD1 4.1Å; F463-L527 HydrophobicContact CZ-CD1 3.73Å; F512-L527 HydrophobicContact CD1-CD2 3.99Å; F512-L527 HydrophobicContact CE1-CB 4.32Å; F512-L527 HydrophobicContact CE1-CD2 4.12Å; F512-L527 HydrophobicContact CE1-CG 4.25Å; M515-L527 HydrophobicContact CG-CD2 4Å; Y517-L527 HydrophobicContact CD2-CD2 4.06Å; Y517-L527 HydrophobicContact CE2-CD2 4.12Å; E523-L527 VanDerWaalsContact O-CB 3.28Å; E523-L527 WeakPolarHBondContact O-CB 3.28Å; E523-L527 PolarHBondContact O-N 2.87Å; A524-L527 PolarHBondContact O-N 3.24Å; L527-I529 VanDerWaalsContact C-N 3.34Å; L527-I529 PolarHBondContact O-N 3.31Å; L527-H530 PolarHBondContact O-N 2.92Å; L527-I531 HydrophobicContact CD1-CD1 3.93Å; L527-I531 HydrophobicContact CD1-CG1 3.96Å; L527-I531 HydrophobicContact CD2-CD1 4.47Å; L527-I531 HydrophobicContact CG-CD1 3.78Å; L527-I531 HydrophobicContact CG-CG1 4.28Å; L527-I531 WeakPolarHBondContact O-CB 3.36Å; L527-I531 VanDerWaalsContact O-CG1 3.23Å; L527-I531 WeakPolarHBondContact O-CG1 3.49Å; L527-I531 PolarHBondContact O-N 3.05Å
528N98.9Very high98.7Very high0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-56.6-46.5171.5172.882.5000111.4F512 A524 Q525 L526 F532 M694 R698F512-N528 HydrophobicContact CZ-CB 4.2Å; A524-N528 VanDerWaalsContact O-CB 3.28Å; A524-N528 WeakPolarHBondContact O-CB 3.28Å; A524-N528 PolarHBondContact O-N 2.75Å; Q525-N528 WeakPolarHBondContact O-CB 3.46Å; Q525-N528 PolarHBondContact O-N 2.85Å; L526-N528 VanDerWaalsContact C-N 3.3Å; L526-N528 PolarHBondContact O-N 3.41Å; N528-F532 VanDerWaalsContact O-CD2 3.31Å; N528-F532 WeakPolarHBondContact O-CD2 3.39Å; N528-F532 PolarHBondContact O-N 3.08Å; N528-M694 HydrophobicContact CB-CE 3.85Å; N528-M694 PolarHBondContact ND2-O 3.37Å; N528-R698 PolarHBondContact OD1-NE 3.4Å; N528-R698 PolarHBondContact OD1-NH2 3.06Å
529I98.9Very high98.7Very high37 Ų3723.8 Ų23.819%0.1912%0.123CC..Hα-helixtrans-59.8-53.7176-70.4166.3000110.5Q525 L526 L527 I531 F532 E533 T576 D697 Y701Q525-I529 PolarHBondContact O-N 2.85Å; Q525-I529 VanDerWaalsContact O-N 3.16Å; L526-I529 WeakPolarHBondContact O-CB 3.14Å; L526-I529 PolarHBondContact O-N 2.64Å; L526-I529 VanDerWaalsContact O-N 3.13Å; L527-I529 VanDerWaalsContact C-N 3.34Å; L527-I529 PolarHBondContact O-N 3.31Å; I529-I531 PolarHBondContact O-N 2.61Å; I529-F532 PolarHBondContact O-N 3.13Å; I529-E533 VanDerWaalsContact O-CB 3.26Å; I529-E533 WeakPolarHBondContact O-CB 3.43Å; I529-E533 PolarHBondContact O-N 3.2Å; I529-T576 HydrophobicContact CG2-CG2 3.84Å; I529-D697 HydrophobicContact CD1-CB 4.24Å; I529-D697 HydrophobicContact CG1-CB 3.93Å; I529-Y701 HydrophobicContact CG2-CE2 4.03Å
530H98.9Very high98.8Very high40 Ų4023.1 Ų23.119%0.18512%0.12CC..Hα-helixtrans-62.1-37.8-176.6-67.8166.1000113.7F463 L526 L527 T534 L578F463-H530 HydrophobicContact CD1-CB 4.36Å; F463-H530 HydrophobicContact CE1-CB 3.48Å; F463-H530 VanDerWaalsContact CE1-CB 3.48Å; F463-H530 HydrophobicContact CZ-CB 3.59Å; L526-H530 PolarHBondContact O-N 3.31Å; L527-H530 PolarHBondContact O-N 2.92Å; H530-T534 VanDerWaalsContact O-CB 3.27Å; H530-T534 WeakPolarHBondContact O-CB 3.3Å; H530-T534 PolarHBondContact O-N 3.22Å; H530-T534 PolarHBondContact O-OG1 2.91Å; H530-L578 HydrophobicContact CB-CD2 3.88Å
531I98.9Very high98.8Very high0 Ų022.2 Ų22.20%012%0.116CC..Hα-helixtrans-60.7-53.1176.8-74.2170.2000110L451 F461 F463 L466 L508 L527 I529 T534 I535L451-I531 HydrophobicContact CD1-CD1 4.33Å; L451-I531 HydrophobicContact CD1-CG2 4.12Å; L451-I531 HydrophobicContact CD2-CG2 3.68Å; F461-I531 HydrophobicContact CD1-CG1 4.47Å; F461-I531 HydrophobicContact CD2-CD1 4.37Å; F461-I531 HydrophobicContact CE1-CD1 4.44Å; F461-I531 HydrophobicContact CE1-CG1 3.91Å; F461-I531 HydrophobicContact CE2-CD1 3.7Å; F461-I531 HydrophobicContact CE2-CG1 4.08Å; F461-I531 HydrophobicContact CZ-CD1 3.74Å; F461-I531 HydrophobicContact CZ-CG1 3.67Å; F463-I531 HydrophobicContact CE1-CG1 4.24Å; L466-I531 HydrophobicContact CD2-CG2 4.16Å; L508-I531 HydrophobicContact CD1-CD1 4.23Å; L527-I531 HydrophobicContact CD1-CD1 3.93Å; L527-I531 HydrophobicContact CD1-CG1 3.96Å; L527-I531 HydrophobicContact CD2-CD1 4.47Å; L527-I531 HydrophobicContact CG-CD1 3.78Å; L527-I531 HydrophobicContact CG-CG1 4.28Å; L527-I531 WeakPolarHBondContact O-CB 3.36Å; L527-I531 VanDerWaalsContact O-CG1 3.23Å; L527-I531 WeakPolarHBondContact O-CG1 3.49Å; L527-I531 PolarHBondContact O-N 3.05Å; I529-I531 PolarHBondContact O-N 2.61Å; I531-T534 WeakPolarHBondContact O-CB 3.35Å; I531-T534 PolarHBondContact O-N 2.72Å; I531-I535 HydrophobicContact CG2-CD1 3.79Å; I531-I535 VanDerWaalsContact O-CG1 3.27Å; I531-I535 WeakPolarHBondContact O-CG1 3.29Å; I531-I535 PolarHBondContact O-N 3.05Å
532F98.9Very high98.8Very high2 Ų221.6 Ų21.61%0.00911%0.112CC..Hα-helixtrans-73.3-33.1-175.5-78.7-84.1000112.8V505 N528 I529 T534 I535 Y536 P601 I617 R698 Y701 I702V505-F532 HydrophobicContact CG1-CE1 4.17Å; V505-F532 HydrophobicContact CG1-CZ 4.08Å; V505-F532 HydrophobicContact CG2-CE1 4.36Å; V505-F532 HydrophobicContact CG2-CZ 3.67Å; N528-F532 VanDerWaalsContact O-CD2 3.31Å; N528-F532 WeakPolarHBondContact O-CD2 3.39Å; N528-F532 PolarHBondContact O-N 3.08Å; I529-F532 PolarHBondContact O-N 3.13Å; F532-T534 VanDerWaalsContact C-N 3.33Å; F532-T534 PolarHBondContact O-N 2.84Å; F532-I535 PolarHBondContact O-N 3.1Å; F532-Y536 WeakPolarHBondContact O-CB 3.32Å; F532-Y536 PolarHBondContact O-N 3.06Å; F532-P601 HydrophobicContact CE1-CG 3.67Å; F532-P601 HydrophobicContact CZ-CG 4.27Å; F532-I617 HydrophobicContact CE2-CG2 4.25Å; F532-I617 HydrophobicContact CZ-CG2 3.72Å; F532-R698 HydrophobicContact CB-CB 3.98Å; F532-R698 HydrophobicContact CD1-CB 4.24Å; F532-R698 HydrophobicContact CD2-CB 3.51Å; F532-R698 HydrophobicContact CD2-CG 4.33Å; F532-R698 HydrophobicContact CE2-CB 4.04Å; F532-R698 HydrophobicContact CE2-CG 4.39Å; F532-R698 HydrophobicContact CG-CB 3.63Å; F532-Y701 HydrophobicContact CB-CD2 4.18Å; F532-I702 HydrophobicContact CD1-CD1 4.07Å; F532-I702 HydrophobicContact CD1-CG1 4.13Å; F532-I702 HydrophobicContact CE1-CD1 4.07Å; F532-I702 HydrophobicContact CE1-CG1 4.49Å
533E98.9Very high98.9Very high0 Ų017 Ų170%08%0.082CC..Hα-helixtrans-58.1-47.1170.2-170.3175.8163.400111.1I529 Y536 Y537 T576 W581 Y701I529-E533 VanDerWaalsContact O-CB 3.26Å; I529-E533 WeakPolarHBondContact O-CB 3.43Å; I529-E533 PolarHBondContact O-N 3.2Å; E533-Y536 PolarHBondContact O-N 3.38Å; E533-Y537 VanDerWaalsContact O-CB 3.31Å; E533-Y537 WeakPolarHBondContact O-CB 3.47Å; E533-Y537 PolarHBondContact O-N 2.88Å; E533-T576 VanDerWaalsContact CD-OG1 3.24Å; E533-T576 PolarHBondContact OE1-N 3.08Å; E533-T576 PolarHBondContact OE1-OG1 3.02Å; E533-T576 WeakPolarHBondContact OE2-CB 3.34Å; E533-T576 WeakPolarHBondContact OE2-CG2 3.38Å; E533-T576 PolarHBondContact OE2-N 3.4Å; E533-T576 PolarHBondContact OE2-OG1 3.37Å; E533-W581 HydrophobicContact CG-CZ2 3.63Å; E533-W581 PolarHBondContact OE1-NE1 3.29Å; E533-Y701 HydrophobicContact CB-CD1 4.28Å; E533-Y701 HydrophobicContact CB-CD2 4.11Å; E533-Y701 HydrophobicContact CB-CE1 4Å; E533-Y701 HydrophobicContact CB-CE2 3.8Å; E533-Y701 HydrophobicContact CB-CG 4.34Å; E533-Y701 HydrophobicContact CG-CD1 4.25Å; E533-Y701 HydrophobicContact CG-CE1 3.72Å; E533-Y701 HydrophobicContact CG-CE2 4.35Å; E533-Y701 PolarHBondContact OE2-OH 3.08Å
534T98.9Very high98.9Very high0 Ų012.8 Ų12.80%06%0.063CC..Hα-helixtrans-62.7-45.6178.5-610000112.5F463 L466 A467 H530 I531 F532 A538 W579F463-T534 HydrophobicContact CB-CG2 4.25Å; F463-T534 WeakPolarHBondContact CD1-OG1 3.3Å; F463-T534 VanDerWaalsContact O-CG2 3.31Å; F463-T534 WeakPolarHBondContact O-CG2 3.38Å; L466-T534 HydrophobicContact CB-CG2 4.19Å; L466-T534 HydrophobicContact CD2-CG2 3.92Å; L466-T534 HydrophobicContact CG-CG2 4.06Å; A467-T534 HydrophobicContact CB-CG2 3.98Å; H530-T534 VanDerWaalsContact O-CB 3.27Å; H530-T534 WeakPolarHBondContact O-CB 3.3Å; H530-T534 PolarHBondContact O-N 3.22Å; H530-T534 PolarHBondContact O-OG1 2.91Å; I531-T534 WeakPolarHBondContact O-CB 3.35Å; I531-T534 PolarHBondContact O-N 2.72Å; F532-T534 VanDerWaalsContact C-N 3.33Å; F532-T534 PolarHBondContact O-N 2.84Å; T534-A538 VanDerWaalsContact O-CB 3.29Å; T534-A538 WeakPolarHBondContact O-CB 3.31Å; T534-A538 PolarHBondContact O-N 2.77Å; T534-W579 HydrophobicContact CG2-CZ2 3.7Å; T534-W579 PolarHBondContact OG1-NE1 3.09Å
535I98.9Very high98.9Very high2 Ų216.6 Ų16.61%0.018%0.081CC..Hα-helixtrans-63.6-45.3179.9-62.8165.2000109.7L449 L466 T470 I503 V505 I531 F532 A539 L599L449-I535 HydrophobicContact CD1-CD1 3.7Å; L449-I535 HydrophobicContact CD1-CG1 3.73Å; L449-I535 HydrophobicContact CD1-CG2 4.02Å; L466-I535 HydrophobicContact CD1-CD1 4.46Å; L466-I535 HydrophobicContact CD1-CG1 4.13Å; L466-I535 HydrophobicContact CD2-CD1 4.43Å; L466-I535 HydrophobicContact CD2-CG1 3.97Å; L466-I535 HydrophobicContact CG-CG1 4.1Å; T470-I535 HydrophobicContact CG2-CG2 3.85Å; T470-I535 WeakPolarHBondContact CG2-O 3.45Å; I503-I535 HydrophobicContact CG2-CG2 3.97Å; V505-I535 HydrophobicContact CG1-CD1 3.56Å; I531-I535 HydrophobicContact CG2-CD1 3.79Å; I531-I535 VanDerWaalsContact O-CG1 3.27Å; I531-I535 WeakPolarHBondContact O-CG1 3.29Å; I531-I535 PolarHBondContact O-N 3.05Å; F532-I535 PolarHBondContact O-N 3.1Å; I535-A539 WeakPolarHBondContact O-CB 3.29Å; I535-A539 PolarHBondContact O-N 2.91Å; I535-L599 HydrophobicContact CB-CD2 4.18Å; I535-L599 HydrophobicContact CG2-CD1 4.06Å; I535-L599 HydrophobicContact CG2-CD2 3.8Å; I535-L599 HydrophobicContact CG2-CG 3.96Å
536Y98.9Very high98.9Very high4 Ų415.5 Ų15.52%0.0168%0.076CC..Hα-helixtrans-65.7-44.1-179.4-172.3-129.2000112.1F532 E533 A539 L540 L566 Q567 Y568 W581 L599 Y701 D703F532-Y536 WeakPolarHBondContact O-CB 3.32Å; F532-Y536 PolarHBondContact O-N 3.06Å; E533-Y536 PolarHBondContact O-N 3.38Å; Y536-A539 PolarHBondContact O-N 3.18Å; Y536-L540 HydrophobicContact CD1-CD1 4.06Å; Y536-L540 HydrophobicContact CD2-CD1 4.24Å; Y536-L540 HydrophobicContact CD2-CG 4.37Å; Y536-L540 HydrophobicContact CE1-CD1 3.58Å; Y536-L540 HydrophobicContact CE2-CD1 3.82Å; Y536-L540 HydrophobicContact CE2-CG 3.99Å; Y536-L540 HydrophobicContact CG-CD1 4.34Å; Y536-L540 VanDerWaalsContact CZ-CD1 3.44Å; Y536-L540 WeakPolarHBondContact O-CB 3.5Å; Y536-L540 PolarHBondContact O-N 2.88Å; Y536-L566 HydrophobicContact CE1-CB 4.32Å; Y536-Q567 HydrophobicContact CE1-CB 3.83Å; Y536-Q567 HydrophobicContact CE2-CB 4.42Å; Y536-Q567 PolarHBondContact OH-N 2.85Å; Y536-Q567 VanDerWaalsContact OH-N 3.16Å; Y536-Y568 HydrophobicContact CE1-CD1 4.32Å; Y536-W581 AromaticContact CD1-CH2 3.47Å; Y536-W581 HydrophobicContact CD1-CH2 3.47Å; Y536-W581 VanDerWaalsContact CD1-CH2 3.47Å; Y536-W581 HydrophobicContact CD1-CZ2 4.47Å; Y536-W581 AromaticContact CD1-CZ3 3.94Å; Y536-W581 HydrophobicContact CD1-CZ3 3.94Å; Y536-W581 HydrophobicContact CE1-CH2 4.15Å; Y536-W581 HydrophobicContact CE1-CZ3 4.17Å; Y536-W581 HydrophobicContact CG-CH2 4.23Å; Y536-L599 HydrophobicContact CD2-CD1 4.17Å; Y536-L599 HydrophobicContact CD2-CD2 4.33Å; Y536-Y701 WeakPolarHBondContact CB-O 3.48Å; Y536-Y701 HydrophobicContact CD1-CD1 4.17Å; Y536-Y701 VanDerWaalsContact CD2-O 3.3Å; Y536-Y701 WeakPolarHBondContact CD2-O 3.46Å; Y536-Y701 VanDerWaalsContact CG-O 3.23Å; Y536-D703 HydrophobicContact CE2-CB 4.37Å
537Y98.9Very high98.9Very high16 Ų1611.6 Ų11.66%0.0636%0.056CC..Hα-helixtrans-58.3-52.9176.8-175.6-87.4000111.4E533 A539 L540 E541 W579 D580 W581 L584E533-Y537 VanDerWaalsContact O-CB 3.31Å; E533-Y537 WeakPolarHBondContact O-CB 3.47Å; E533-Y537 PolarHBondContact O-N 2.88Å; Y537-A539 VanDerWaalsContact C-N 3.31Å; Y537-A539 PolarHBondContact O-N 3.18Å; Y537-L540 PolarHBondContact O-N 3.01Å; Y537-E541 WeakPolarHBondContact O-CB 3.46Å; Y537-E541 PolarHBondContact O-N 2.91Å; Y537-W579 HydrophobicContact CD1-CB 4.13Å; Y537-W579 AromaticContact CD1-CD2 3.84Å; Y537-W579 HydrophobicContact CD1-CD2 3.84Å; Y537-W579 AromaticContact CD1-CE3 3.76Å; Y537-W579 HydrophobicContact CD1-CE3 3.76Å; Y537-W579 HydrophobicContact CD1-CG 4.01Å; Y537-W579 HydrophobicContact CD1-CZ3 4.5Å; Y537-W579 HydrophobicContact CD2-CB 3.48Å; Y537-W579 VanDerWaalsContact CD2-CB 3.48Å; Y537-W579 HydrophobicContact CD2-CG 4.14Å; Y537-W579 HydrophobicContact CE1-CB 4.36Å; Y537-W579 HydrophobicContact CE1-CD2 4.21Å; Y537-W579 AromaticContact CE1-CE3 3.7Å; Y537-W579 HydrophobicContact CE1-CE3 3.7Å; Y537-W579 HydrophobicContact CE1-CZ3 4.41Å; Y537-W579 HydrophobicContact CE2-CB 3.73Å; Y537-W579 HydrophobicContact CG-CB 3.69Å; Y537-W579 HydrophobicContact CG-CD2 4.16Å; Y537-W579 HydrophobicContact CG-CE3 4.47Å; Y537-W579 AromaticContact CG-CG 3.82Å; Y537-W579 HydrophobicContact CG-CG 3.82Å; Y537-D580 WeakPolarHBondContact CE2-O 3.22Å; Y537-D580 PolarHBondContact OH-O 3.33Å; Y537-W581 AromaticContact CD2-CD2 3.92Å; Y537-W581 HydrophobicContact CD2-CD2 3.92Å; Y537-W581 AromaticContact CD2-CE2 3.97Å; Y537-W581 AromaticContact CD2-CE3 3.9Å; Y537-W581 HydrophobicContact CD2-CE3 3.9Å; Y537-W581 HydrophobicContact CD2-CH2 4.04Å; Y537-W581 HydrophobicContact CD2-CZ2 4.04Å; Y537-W581 AromaticContact CD2-CZ3 3.97Å; Y537-W581 HydrophobicContact CD2-CZ3 3.97Å; Y537-W581 HydrophobicContact CG-CH2 4.37Å; Y537-W581 HydrophobicContact CG-CZ2 4.44Å; Y537-L584 HydrophobicContact CD2-CB 4.44Å; Y537-L584 HydrophobicContact CD2-CD2 3.52Å; Y537-L584 HydrophobicContact CE2-CB 3.68Å; Y537-L584 HydrophobicContact CE2-CD2 3.58Å; Y537-L584 HydrophobicContact CE2-CG 4.24Å; Y537-L584 HydrophobicContact CG-CD2 4.07Å
538A98.9Very high98.9Very high0 Ų014 Ų140%08%0.077CC..Hα-helixtrans-64.5-36.8-179.100000112.4A467 T470 K471 T534 E541 A542A467-A538 HydrophobicContact CB-CB 3.73Å; A467-A538 WeakPolarHBondContact O-CB 3.04Å; T470-A538 HydrophobicContact CG2-CB 4.06Å; K471-A538 HydrophobicContact CG-CB 4.32Å; T534-A538 VanDerWaalsContact O-CB 3.29Å; T534-A538 WeakPolarHBondContact O-CB 3.31Å; T534-A538 PolarHBondContact O-N 2.77Å; A538-E541 PolarHBondContact O-N 3.28Å; A538-A542 WeakPolarHBondContact O-CB 3.44Å; A538-A542 PolarHBondContact O-N 3.08Å
539A98.9Very high98.9Very high0 Ų020.6 Ų20.60%011%0.108CC..Hα-helixtrans-67.6-44.2179.100000112T470 V474 I503 I535 Y536 Y537 E541 A542 S543 L598 L599T470-A539 HydrophobicContact CG2-CB 3.99Å; V474-A539 HydrophobicContact CG2-CB 3.8Å; I503-A539 HydrophobicContact CD1-CB 4.2Å; I535-A539 WeakPolarHBondContact O-CB 3.29Å; I535-A539 PolarHBondContact O-N 2.91Å; Y536-A539 PolarHBondContact O-N 3.18Å; Y537-A539 VanDerWaalsContact C-N 3.31Å; Y537-A539 PolarHBondContact O-N 3.18Å; A539-E541 VanDerWaalsContact C-N 3.35Å; A539-A542 PolarHBondContact O-N 2.91Å; A539-S543 WeakPolarHBondContact O-CB 3.47Å; A539-S543 PolarHBondContact O-N 2.97Å; A539-L598 HydrophobicContact CB-CB 4.17Å; A539-L598 HydrophobicContact CB-CD1 3.97Å; A539-L598 HydrophobicContact CB-CD2 4.38Å; A539-L598 HydrophobicContact CB-CG 4.42Å; A539-L599 HydrophobicContact CB-CD1 3.83Å
540L98.9Very high98.9Very high3 Ų324 Ų242%0.01612%0.122CC..Hα-helixtrans-62.7-42.2173.8-82.7169.9000111.6Y536 Y537 S543 C544 L566 W581 L584 I588 V593 L598Y536-L540 HydrophobicContact CD1-CD1 4.06Å; Y536-L540 HydrophobicContact CD2-CD1 4.24Å; Y536-L540 HydrophobicContact CD2-CG 4.37Å; Y536-L540 HydrophobicContact CE1-CD1 3.58Å; Y536-L540 HydrophobicContact CE2-CD1 3.82Å; Y536-L540 HydrophobicContact CE2-CG 3.99Å; Y536-L540 HydrophobicContact CG-CD1 4.34Å; Y536-L540 VanDerWaalsContact CZ-CD1 3.44Å; Y536-L540 WeakPolarHBondContact O-CB 3.5Å; Y536-L540 PolarHBondContact O-N 2.88Å; Y537-L540 PolarHBondContact O-N 3.01Å; L540-S543 PolarHBondContact O-N 3.2Å; L540-C544 VanDerWaalsContact O-CB 3.29Å; L540-C544 WeakPolarHBondContact O-CB 2.99Å; L540-C544 PolarHBondContact O-N 3.41Å; L540-L566 HydrophobicContact CD1-CD1 3.95Å; L540-L566 HydrophobicContact CD1-CD2 3.97Å; L540-L566 HydrophobicContact CD1-CG 4.5Å; L540-L566 HydrophobicContact CD2-CD2 4.43Å; L540-W581 HydrophobicContact CD1-CZ3 3.95Å; L540-L584 HydrophobicContact CB-CD2 3.9Å; L540-L584 HydrophobicContact CD1-CD2 4.31Å; L540-I588 HydrophobicContact CB-CD1 4.39Å; L540-I588 HydrophobicContact CD2-CD1 4.18Å; L540-V593 HydrophobicContact CD2-CG1 4.29Å; L540-L598 HydrophobicContact CB-CD1 4.3Å; L540-L598 HydrophobicContact CD2-CD1 3.66Å; L540-L598 HydrophobicContact CG-CD1 3.69Å
541E98.9Very high98.8Very high28 Ų2823.3 Ų23.313%0.13113%0.126CC..Hα-helixtrans-62.5-47.3178.5-168.7172.9-144.700111.4K471 Y537 A538 A539 S543 C544 E545 L584 K587K471-E541 WeakPolarHBondContact CE-OE2 3.32Å; K471-E541 IonicContact NZ-OE1 3.37Å; K471-E541 IonicContact NZ-OE2 3.36Å; K471-E541 PolarHBondContact NZ-OE2 2.55Å; Y537-E541 WeakPolarHBondContact O-CB 3.46Å; Y537-E541 PolarHBondContact O-N 2.91Å; A538-E541 PolarHBondContact O-N 3.28Å; A539-E541 VanDerWaalsContact C-N 3.35Å; E541-S543 VanDerWaalsContact C-N 3.33Å; E541-S543 PolarHBondContact O-N 3.17Å; E541-C544 WeakPolarHBondContact O-CB 3.46Å; E541-C544 PolarHBondContact O-N 3.27Å; E541-E545 VanDerWaalsContact O-CG 3.3Å; E541-E545 WeakPolarHBondContact O-CG 3.46Å; E541-E545 PolarHBondContact O-N 2.92Å; E541-L584 HydrophobicContact CB-CD1 3.92Å; E541-L584 HydrophobicContact CG-CD1 4.25Å; E541-K587 IonicContact OE1-NZ 3.1Å; E541-K587 PolarHBondContact OE1-NZ 3.23Å
542A98.9Very high98.8Very high1 Ų126 Ų261%0.00814%0.143CC..Hα-helixtrans-63.5-37.2174.800000113K471 V474 A538 A539 C544 E545 L546K471-A542 HydrophobicContact CB-CB 3.84Å; K471-A542 HydrophobicContact CD-CB 4.39Å; K471-A542 HydrophobicContact CG-CB 3.86Å; V474-A542 HydrophobicContact CB-CB 3.82Å; V474-A542 HydrophobicContact CG1-CB 3.89Å; V474-A542 HydrophobicContact CG2-CB 4.18Å; A538-A542 WeakPolarHBondContact O-CB 3.44Å; A538-A542 PolarHBondContact O-N 3.08Å; A539-A542 PolarHBondContact O-N 2.91Å; A542-C544 VanDerWaalsContact C-N 3.32Å; A542-E545 PolarHBondContact O-N 3.1Å; A542-L546 WeakPolarHBondContact O-CG 3.44Å; A542-L546 PolarHBondContact O-N 2.79Å
543S98.9Very high98.8Very high0 Ų026.1 Ų26.10%014%0.143CC..Hα-helixtrans-68.4-33.4176.2-160.30000111.9A539 L540 E541 A547 R594 N595A539-S543 WeakPolarHBondContact O-CB 3.47Å; A539-S543 PolarHBondContact O-N 2.97Å; L540-S543 PolarHBondContact O-N 3.2Å; E541-S543 VanDerWaalsContact C-N 3.33Å; E541-S543 PolarHBondContact O-N 3.17Å; S543-A547 WeakPolarHBondContact O-CB 3.29Å; S543-A547 PolarHBondContact O-N 2.97Å; S543-R594 WeakPolarHBondContact O-CB 3.42Å; S543-R594 PolarHBondContact O-N 3.45Å; S543-R594 PolarHBondContact OG-N 3.03Å; S543-N595 PolarHBondContact OG-N 3.05Å; S543-N595 PolarHBondContact OG-OD1 3.02Å
544C98.9Very high98.8Very high5 Ų532.7 Ų32.73%0.03417%0.174CC..Hα-helixtrans-69.4-40.7172.3-175.40000112L540 E541 A542 A547 A548 I588 G592 V593L540-C544 VanDerWaalsContact O-CB 3.29Å; L540-C544 WeakPolarHBondContact O-CB 2.99Å; L540-C544 PolarHBondContact O-N 3.41Å; E541-C544 WeakPolarHBondContact O-CB 3.46Å; E541-C544 PolarHBondContact O-N 3.27Å; A542-C544 VanDerWaalsContact C-N 3.32Å; C544-A547 PolarHBondContact O-N 3.28Å; C544-A548 PolarHBondContact O-N 2.58Å; C544-I588 HydrophobicContact CB-CG1 4.22Å; C544-G592 WeakPolarHBondContact CA-O 3.27Å; C544-G592 PolarHBondContact SG-O 2.95Å; C544-V593 HydrophobicContact CB-CG1 4.38Å
545E98.9Very high98.8Very high80 Ų8033.5 Ų33.537%0.37418%0.179SC..Hα-helixtrans-58.3-47.7172.8-71.8164.1-169.900110.4K471 R475 E541 A542 A547 A548 E549K471-E545 IonicContact NZ-OE1 2.73Å; K471-E545 PolarHBondContact NZ-OE1 2.95Å; R475-E545 IonicContact NH1-OE2 3.61Å; E541-E545 VanDerWaalsContact O-CG 3.3Å; E541-E545 WeakPolarHBondContact O-CG 3.46Å; E541-E545 PolarHBondContact O-N 2.92Å; A542-E545 PolarHBondContact O-N 3.1Å; E545-A547 VanDerWaalsContact C-N 3.31Å; E545-A547 PolarHBondContact O-N 3.12Å; E545-A548 WeakPolarHBondContact O-CB 3.31Å; E545-A548 PolarHBondContact O-N 3.44Å; E545-E549 PolarHBondContact O-N 2.82Å
546L98.9Very high98.8Very high13 Ų1334.8 Ų34.87%0.06818%0.184CC..Hα-helixtrans-64-33.9175.5-72.8169.9000113V474 R475 N478 A542 E549 F550 R594V474-L546 HydrophobicContact CG1-CD1 3.96Å; R475-L546 HydrophobicContact CG-CD1 4.36Å; R475-L546 HydrophobicContact CG-CD2 4.33Å; R475-L546 HydrophobicContact CG-CG 4.5Å; N478-L546 HydrophobicContact CB-CD1 3.95Å; A542-L546 WeakPolarHBondContact O-CG 3.44Å; A542-L546 PolarHBondContact O-N 2.79Å; L546-E549 PolarHBondContact O-N 3.41Å; L546-F550 HydrophobicContact CD2-CD2 4.03Å; L546-F550 HydrophobicContact CD2-CE2 3.86Å; L546-F550 WeakPolarHBondContact O-CB 3.5Å; L546-F550 WeakPolarHBondContact O-CD2 3.16Å; L546-F550 PolarHBondContact O-N 2.9Å; L546-R594 HydrophobicContact CB-CB 3.62Å; L546-R594 HydrophobicContact CB-CG 3.9Å
547A98.8Very high98.8Very high4 Ų438.5 Ų38.53%0.03322%0.215CC..Hα-helixtrans-70.6-34.1176.400000112.3S543 C544 E545 E549 G551 H591 G592 R594S543-A547 WeakPolarHBondContact O-CB 3.29Å; S543-A547 PolarHBondContact O-N 2.97Å; C544-A547 PolarHBondContact O-N 3.28Å; E545-A547 VanDerWaalsContact C-N 3.31Å; E545-A547 PolarHBondContact O-N 3.12Å; A547-E549 PolarHBondContact O-N 3.38Å; A547-G551 CarbonylContact O-C 3.53Å; A547-G551 WeakPolarHBondContact O-CA 3.26Å; A547-G551 PolarHBondContact O-N 3.17Å; A547-H591 WeakPolarHBondContact CB-O 3.42Å; A547-G592 WeakPolarHBondContact CB-O 3.41Å; A547-R594 HydrophobicContact CB-CB 4.44Å
548A98.7Very high98.7Very high58 Ų5839.4 Ų39.448%0.47923%0.23SC..Hα-helixtrans-63.6-32173.900000112.1C544 E545 H591C544-A548 PolarHBondContact O-N 2.58Å; E545-A548 WeakPolarHBondContact O-CB 3.31Å; E545-A548 PolarHBondContact O-N 3.44Å; A548-H591 HydrophobicContact CB-CB 4.1Å
549E98.3Very high98.7Very high140 Ų14039.4 Ų39.465%0.65423%0.23SC*.Hα-helixtrans-86.2-48.1179.1-171.9178.4174.800113.1E545 L546 A547E545-E549 PolarHBondContact O-N 2.82Å; L546-E549 PolarHBondContact O-N 3.41Å; A547-E549 PolarHBondContact O-N 3.38Å
550F98.4Very high98.7Very high108 Ų10839.8 Ų39.847%0.47423%0.232SC..Hα-helixtrans-109.90.9-169.8-58.4-68.4000114.4L546 R594L546-F550 HydrophobicContact CD2-CD2 4.03Å; L546-F550 HydrophobicContact CD2-CE2 3.86Å; L546-F550 WeakPolarHBondContact O-CB 3.5Å; L546-F550 WeakPolarHBondContact O-CD2 3.16Å; L546-F550 PolarHBondContact O-N 2.9Å; F550-R594 PolarHBondContact O-NH1 2.91Å
551G98.6Very high98.7Very high26 Ų2639.9 Ų39.927%0.26823%0.232SC..  trans78.4162.9-168.500000113.1A547 R594A547-G551 CarbonylContact O-C 3.53Å; A547-G551 WeakPolarHBondContact O-CA 3.26Å; A547-G551 PolarHBondContact O-N 3.17Å; G551-R594 WeakPolarHBondContact O-CD 3.35Å; G551-R594 PolarHBondContact O-NH1 3.47Å
552P98.8Very high98.7Very high55 Ų5540.4 Ų40.436%0.35724%0.24SC..  trans-65.9168.6173.829.5-35.4000112.1Y556 V593P552-Y556 HydrophobicContact CB-CD1 3.95Å; P552-Y556 HydrophobicContact CB-CD2 4.36Å; P552-Y556 HydrophobicContact CB-CG 3.77Å; P552-Y556 HydrophobicContact CG-CD1 4.23Å; P552-Y556 HydrophobicContact CG-CG 4.49Å; P552-V593 VanDerWaalsContact CA-O 3.29Å; P552-V593 WeakPolarHBondContact CA-O 3.49Å; P552-V593 WeakPolarHBondContact CB-O 3.44Å
553Y98.6Very high98.7Very high6 Ų647 Ų472%0.02427%0.268CS..  trans-66.1157169.963.4-84.1000111.5N416 T555 Y556 S559 V593 R594N416-Y553 PolarHBondContact ND2-OH 2.81Å; Y553-T555 VanDerWaalsContact C-N 3.28Å; Y553-T555 WeakPolarHBondContact CD2-OG1 3.43Å; Y553-T555 WeakPolarHBondContact CE2-O 3.16Å; Y553-T555 WeakPolarHBondContact CE2-OG1 3.49Å; Y553-T555 PolarHBondContact O-N 3.08Å; Y553-Y556 HydrophobicContact CD1-CD2 4.47Å; Y553-Y556 AromaticContact CE1-CD2 3.73Å; Y553-Y556 HydrophobicContact CE1-CD2 3.73Å; Y553-Y556 HydrophobicContact CE1-CG 4.26Å; Y553-Y556 VanDerWaalsContact CE2-CA 3.44Å; Y553-Y556 VanDerWaalsContact CZ-CA 3.44Å; Y553-Y556 VanDerWaalsContact O-CB 3.27Å; Y553-Y556 WeakPolarHBondContact O-CB 3.46Å; Y553-Y556 PolarHBondContact O-N 2.93Å; Y553-Y556 VanDerWaalsContact O-N 3.11Å; Y553-S559 PolarHBondContact OH-OG 3.14Å; Y553-V593 HydrophobicContact CD1-CG2 4.48Å; Y553-V593 VanDerWaalsContact CD1-O 3.26Å; Y553-V593 WeakPolarHBondContact CD1-O 3.43Å; Y553-V593 HydrophobicContact CE1-CG2 3.88Å; Y553-V593 PolarHBondContact N-O 3.2Å; Y553-R594 WeakPolarHBondContact CB-O 3.47Å
554E98.8Very high98.6Very high137 Ų13748.4 Ų48.464%0.6428%0.283SS*.THydrogen-bonded Turntrans-54.5-42.1-169.7-173.7-176.2125.900112.8R497R497-E554 IonicContact NE-OE1 2.61Å; R497-E554 PolarHBondContact NE-OE1 3.47Å; R497-E554 VanDerWaalsContact NE-OE1 3.16Å; R497-E554 WeakPolarHBondContact O-CB 3.48Å; R497-E554 PolarHBondContact O-N 2.88Å
555T98.6Very high98.6Very high18 Ų1851.3 Ų51.311%0.1130%0.297CS..THydrogen-bonded Turntrans-98.826.2-175.966.20000114N419 L420 H498 Y553N419-T555 PolarHBondContact ND2-O 3.26Å; L420-T555 HydrophobicContact CD2-CG2 3.94Å; H498-T555 PolarHBondContact ND1-OG1 3.24Å; Y553-T555 VanDerWaalsContact C-N 3.28Å; Y553-T555 WeakPolarHBondContact CD2-OG1 3.43Å; Y553-T555 WeakPolarHBondContact CE2-O 3.16Å; Y553-T555 WeakPolarHBondContact CE2-OG1 3.49Å; Y553-T555 PolarHBondContact O-N 3.08Å
556Y98.8Very high98.6Very high29 Ų2947.6 Ų47.611%0.11428%0.28CS..  trans-66.2-43.1178170.7-99.1000112.1P552 Y553 G558 S559 V561 S562 I588 G592 V593P552-Y556 HydrophobicContact CB-CD1 3.95Å; P552-Y556 HydrophobicContact CB-CD2 4.36Å; P552-Y556 HydrophobicContact CB-CG 3.77Å; P552-Y556 HydrophobicContact CG-CD1 4.23Å; P552-Y556 HydrophobicContact CG-CG 4.49Å; Y553-Y556 HydrophobicContact CD1-CD2 4.47Å; Y553-Y556 AromaticContact CE1-CD2 3.73Å; Y553-Y556 HydrophobicContact CE1-CD2 3.73Å; Y553-Y556 HydrophobicContact CE1-CG 4.26Å; Y553-Y556 VanDerWaalsContact CE2-CA 3.44Å; Y553-Y556 VanDerWaalsContact CZ-CA 3.44Å; Y553-Y556 VanDerWaalsContact O-CB 3.27Å; Y553-Y556 WeakPolarHBondContact O-CB 3.46Å; Y553-Y556 PolarHBondContact O-N 2.93Å; Y553-Y556 VanDerWaalsContact O-N 3.11Å; Y556-G558 PolarHBondContact O-N 3.44Å; Y556-S559 VanDerWaalsContact O-CB 3.24Å; Y556-S559 WeakPolarHBondContact O-CB 3.47Å; Y556-S559 PolarHBondContact O-N 3.39Å; Y556-S559 PolarHBondContact O-OG 2.95Å; Y556-V561 HydrophobicContact CD2-CG2 4Å; Y556-V561 HydrophobicContact CE2-CG2 3.66Å; Y556-S562 WeakPolarHBondContact O-CB 3.16Å; Y556-S562 PolarHBondContact O-OG 2.88Å; Y556-S562 WeakPolarHBondContact OH-CA 3.35Å; Y556-I588 PolarHBondContact OH-O 2.96Å; Y556-G592 VanDerWaalsContact CZ-CA 3.41Å; Y556-G592 WeakPolarHBondContact OH-CA 3.19Å; Y556-V593 HydrophobicContact CD2-CG2 4.03Å; Y556-V593 HydrophobicContact CE2-CG2 3.99Å
557A98.6Very high98.6Very high82 Ų8247.1 Ų47.168%0.67828%0.277SS*.THydrogen-bonded Turntrans-60.9125-179.400000111.1S559A557-S559 VanDerWaalsContact C-N 3.35Å
558G98Very high98.6Very high35 Ų3547.3 Ų47.336%0.36128%0.277SS..THydrogen-bonded Turntrans92.8-14-178.800000114.5Y556 S562 K563Y556-G558 PolarHBondContact O-N 3.44Å; G558-S562 PolarHBondContact N-OG 3.37Å; G558-S562 VanDerWaalsContact N-OG 3.1Å; G558-K563 VanDerWaalsContact O-CE 3.31Å; G558-K563 WeakPolarHBondContact O-CE 3.16Å; G558-K563 PolarHBondContact O-NZ 2.95Å
559S98.8Very high98.6Very high0 Ų047.2 Ų47.20%027%0.269CS..SBendtrans-63.6153.7171.868.30000111.4N416 N419 Y553 Y556 A557 V561 S562 K563N416-S559 WeakPolarHBondContact O-CB 3.03Å; N419-S559 WeakPolarHBondContact OD1-CA 3.37Å; Y553-S559 PolarHBondContact OH-OG 3.14Å; Y556-S559 VanDerWaalsContact O-CB 3.24Å; Y556-S559 WeakPolarHBondContact O-CB 3.47Å; Y556-S559 PolarHBondContact O-N 3.39Å; Y556-S559 PolarHBondContact O-OG 2.95Å; A557-S559 VanDerWaalsContact C-N 3.35Å; S559-V561 VanDerWaalsContact C-N 3.32Å; S559-V561 PolarHBondContact O-N 3.27Å; S559-V561 WeakPolarHBondContact OG-CG2 3.23Å; S559-S562 PolarHBondContact N-OG 2.8Å; S559-S562 WeakPolarHBondContact O-CB 3.35Å; S559-S562 PolarHBondContact O-N 3.08Å; S559-S562 VanDerWaalsContact O-N 3.08Å; S559-S562 PolarHBondContact O-OG 3.49Å; S559-S562 PolarHBondContact OG-N 3.21Å; S559-K563 PolarHBondContact O-N 3.17Å
560P98.8Very high98.6Very high7 Ų742 Ų425%0.04525%0.245CC..THydrogen-bonded Turntrans-51.2-43.7174-30.837.5000114.7N416 Q418 S562 K563 G564 I565 M570N416-P560 WeakPolarHBondContact O-CD 3.44Å; N416-P560 VanDerWaalsContact OD1-CD 3.32Å; N416-P560 WeakPolarHBondContact OD1-CD 3.44Å; Q418-P560 HydrophobicContact CB-CG 4.39Å; P560-S562 PolarHBondContact O-N 2.77Å; P560-K563 CarbonylContact O-C 3.5Å; P560-K563 WeakPolarHBondContact O-CA 3.49Å; P560-K563 WeakPolarHBondContact O-CB 3.21Å; P560-K563 PolarHBondContact O-N 3.47Å; P560-G564 PolarHBondContact O-N 3.48Å; P560-I565 CarbonylContact C-O 3.58Å; P560-I565 VanDerWaalsContact C-O 3.32Å; P560-I565 HydrophobicContact CB-CB 4.05Å; P560-I565 HydrophobicContact CB-CG2 4.3Å; P560-I565 WeakPolarHBondContact O-CB 3.46Å; P560-I565 PolarHBondContact O-N 2.91Å; P560-M570 HydrophobicContact CB-CE 3.09Å; P560-M570 HydrophobicContact CG-CE 3.39Å
561V98.6Very high98.6Very high5 Ų538.4 Ų38.43%0.0323%0.228CC..G310 helixtrans-63.4-31.4178.7-64.60000112.3N416 Y556 S559 K563 G564 I565 L566 V593N416-V561 HydrophobicContact CB-CG1 4.45Å; N416-V561 VanDerWaalsContact ND2-CG2 3.28Å; N416-V561 WeakPolarHBondContact ND2-CG2 3.22Å; N416-V561 WeakPolarHBondContact OD1-CG1 3.48Å; N416-V561 VanDerWaalsContact OD1-CG2 3.3Å; N416-V561 WeakPolarHBondContact OD1-CG2 3.45Å; N416-V561 PolarHBondContact OD1-N 2.91Å; Y556-V561 HydrophobicContact CD2-CG2 4Å; Y556-V561 HydrophobicContact CE2-CG2 3.66Å; S559-V561 VanDerWaalsContact C-N 3.32Å; S559-V561 PolarHBondContact O-N 3.27Å; S559-V561 WeakPolarHBondContact OG-CG2 3.23Å; V561-K563 PolarHBondContact O-N 3.38Å; V561-G564 PolarHBondContact O-N 3.02Å; V561-I565 WeakPolarHBondContact CA-O 3.41Å; V561-I565 PolarHBondContact N-O 2.78Å; V561-L566 HydrophobicContact CG1-CD2 3.96Å; V561-V593 HydrophobicContact CG2-CG2 4.06Å
562S98.7Very high98.6Very high40 Ų4046 Ų4628%0.2826%0.256SS..G310 helixtrans-67.1-16.3173.177.20000113.9Y556 G558 S559 P560Y556-S562 WeakPolarHBondContact O-CB 3.16Å; Y556-S562 PolarHBondContact O-OG 2.88Å; Y556-S562 WeakPolarHBondContact OH-CA 3.35Å; G558-S562 PolarHBondContact N-OG 3.37Å; G558-S562 VanDerWaalsContact N-OG 3.1Å; S559-S562 PolarHBondContact N-OG 2.8Å; S559-S562 WeakPolarHBondContact O-CB 3.35Å; S559-S562 PolarHBondContact O-N 3.08Å; S559-S562 VanDerWaalsContact O-N 3.08Å; S559-S562 PolarHBondContact O-OG 3.49Å; S559-S562 PolarHBondContact OG-N 3.21Å; P560-S562 PolarHBondContact O-N 2.77Å
563K98.6Very high98.6Very high138 Ų13849 Ų4960%0.626%0.264SS*.G310 helixtrans-100.18.4174.9-57.1171.4-174.3168.30112.2G558 S559 P560 V561 I565G558-K563 VanDerWaalsContact O-CE 3.31Å; G558-K563 WeakPolarHBondContact O-CE 3.16Å; G558-K563 PolarHBondContact O-NZ 2.95Å; S559-K563 PolarHBondContact O-N 3.17Å; P560-K563 CarbonylContact O-C 3.5Å; P560-K563 WeakPolarHBondContact O-CA 3.49Å; P560-K563 WeakPolarHBondContact O-CB 3.21Å; P560-K563 PolarHBondContact O-N 3.47Å; V561-K563 PolarHBondContact O-N 3.38Å; K563-I565 VanDerWaalsContact C-N 3.31Å; K563-I565 HydrophobicContact CB-CD1 4.18Å; K563-I565 HydrophobicContact CB-CG1 4.31Å; K563-I565 PolarHBondContact O-N 3.42Å
564G98.2Very high98.5Very high31 Ų3155.1 Ų55.132%0.3230%0.302SS..THydrogen-bonded Turntrans75.215.8-177.300000114.7P560 V561 K585P560-G564 PolarHBondContact O-N 3.48Å; V561-G564 PolarHBondContact O-N 3.02Å; G564-K585 VanDerWaalsContact O-CE 3.22Å; G564-K585 WeakPolarHBondContact O-CE 3.37Å; G564-K585 PolarHBondContact O-NZ 3.25Å; G564-K585 VanDerWaalsContact O-NZ 3.13Å
565I98.8Very high98.5Very high66 Ų6649.6 Ų49.634%0.33828%0.278SS..  trans-96.9112.6178-55169.1000108.1P560 V561 K563 D569 M570P560-I565 CarbonylContact C-O 3.58Å; P560-I565 VanDerWaalsContact C-O 3.32Å; P560-I565 HydrophobicContact CB-CB 4.05Å; P560-I565 HydrophobicContact CB-CG2 4.3Å; P560-I565 WeakPolarHBondContact O-CB 3.46Å; P560-I565 PolarHBondContact O-N 2.91Å; V561-I565 WeakPolarHBondContact CA-O 3.41Å; V561-I565 PolarHBondContact N-O 2.78Å; K563-I565 VanDerWaalsContact C-N 3.31Å; K563-I565 HydrophobicContact CB-CD1 4.18Å; K563-I565 HydrophobicContact CB-CG1 4.31Å; K563-I565 PolarHBondContact O-N 3.42Å; I565-D569 HydrophobicContact CG2-CB 3.92Å; I565-M570 HydrophobicContact CG2-CE 4.16Å; I565-M570 HydrophobicContact CG2-CG 3.88Å
566L98.8Very high98.4Very high2 Ų250.6 Ų50.61%0.0128%0.284CS..  trans-97.7172.2174.4-60.4-174.3000110.4Y536 L540 V561 Y568 D569 M570 W581 K585 I588Y536-L566 HydrophobicContact CE1-CB 4.32Å; L540-L566 HydrophobicContact CD1-CD1 3.95Å; L540-L566 HydrophobicContact CD1-CD2 3.97Å; L540-L566 HydrophobicContact CD1-CG 4.5Å; L540-L566 HydrophobicContact CD2-CD2 4.43Å; V561-L566 HydrophobicContact CG1-CD2 3.96Å; L566-Y568 HydrophobicContact CB-CD1 4.21Å; L566-Y568 HydrophobicContact CB-CE1 3.7Å; L566-Y568 HydrophobicContact CD1-CE1 3.81Å; L566-Y568 HydrophobicContact CG-CE1 4.37Å; L566-Y568 PolarHBondContact O-N 3.22Å; L566-D569 PolarHBondContact N-OD2 3.02Å; L566-D569 WeakPolarHBondContact O-CB 3.27Å; L566-D569 PolarHBondContact O-N 2.94Å; L566-M570 PolarHBondContact O-N 2.95Å; L566-W581 HydrophobicContact CD1-CE3 3.71Å; L566-W581 HydrophobicContact CD1-CZ3 3.86Å; L566-K585 HydrophobicContact CD1-CG 3.93Å; L566-K585 HydrophobicContact CG-CG 4.32Å; L566-I588 HydrophobicContact CD2-CD1 4.17Å
567Q98.8Very high98.3Very high2 Ų257.3 Ų57.31%0.00932%0.322CS..Hα-helixtrans-54.3-48.2-173.5-173.861.83.400113.4K414 Y536 D569 M570 W571 T700 I702K414-Q567 PolarHBondContact O-NE2 3.29Å; K414-Q567 PolarHBondContact O-OE1 3.34Å; K414-Q567 VanDerWaalsContact O-OE1 3.13Å; Y536-Q567 HydrophobicContact CE1-CB 3.83Å; Y536-Q567 HydrophobicContact CE2-CB 4.42Å; Y536-Q567 PolarHBondContact OH-N 2.85Å; Y536-Q567 VanDerWaalsContact OH-N 3.16Å; Q567-D569 PolarHBondContact O-N 3.15Å; Q567-M570 WeakPolarHBondContact O-CB 3.36Å; Q567-M570 PolarHBondContact O-N 3.1Å; Q567-M570 PolarHBondContact OE1-SD 3.38Å; Q567-W571 VanDerWaalsContact NE2-NE1 3.17Å; Q567-W571 VanDerWaalsContact O-CD1 3.27Å; Q567-W571 PolarHBondContact O-N 2.63Å; Q567-T700 CarbonylContact C-O 3.59Å; Q567-T700 WeakPolarHBondContact CB-O 3.44Å; Q567-T700 VanDerWaalsContact CG-O 3.27Å; Q567-T700 WeakPolarHBondContact CG-O 3.46Å; Q567-I702 VanDerWaalsContact CD-O 3.3Å; Q567-I702 WeakPolarHBondContact CG-O 3.19Å; Q567-I702 PolarHBondContact NE2-O 3.15Å
568Y98.7Very high98.3Very high9 Ų956.4 Ų56.44%0.03531%0.306CS..Hα-helixtrans-64.3-27.2-178.356.9-99.1000112.9Y536 L566 M570 W571 E572 K573 P575 W581 K585 T700 Y701Y536-Y568 HydrophobicContact CE1-CD1 4.32Å; L566-Y568 HydrophobicContact CB-CD1 4.21Å; L566-Y568 HydrophobicContact CB-CE1 3.7Å; L566-Y568 HydrophobicContact CD1-CE1 3.81Å; L566-Y568 HydrophobicContact CG-CE1 4.37Å; L566-Y568 PolarHBondContact O-N 3.22Å; Y568-M570 VanDerWaalsContact C-N 3.32Å; Y568-W571 CarbonylContact O-C 3.31Å; Y568-W571 PolarHBondContact O-N 3.25Å; Y568-W571 VanDerWaalsContact O-N 3.16Å; Y568-E572 PolarHBondContact O-N 2.89Å; Y568-E572 VanDerWaalsContact O-N 3.17Å; Y568-K573 WeakPolarHBondContact CD2-O 3.48Å; Y568-K573 PolarHBondContact O-N 3.47Å; Y568-P575 HydrophobicContact CD1-CG 3.77Å; Y568-P575 HydrophobicContact CD2-CG 3.57Å; Y568-P575 HydrophobicContact CE1-CG 3.77Å; Y568-P575 HydrophobicContact CE2-CG 3.55Å; Y568-P575 HydrophobicContact CG-CG 3.66Å; Y568-W581 AromaticContact CE1-CD2 3.72Å; Y568-W581 HydrophobicContact CE1-CD2 3.72Å; Y568-W581 AromaticContact CE1-CE3 3.48Å; Y568-W581 HydrophobicContact CE1-CE3 3.48Å; Y568-W581 VanDerWaalsContact CE1-CE3 3.48Å; Y568-W581 HydrophobicContact CE1-CG 4.38Å; Y568-W581 HydrophobicContact CE1-CH2 4.19Å; Y568-W581 HydrophobicContact CE1-CZ2 4.4Å; Y568-W581 AromaticContact CE1-CZ3 3.74Å; Y568-W581 HydrophobicContact CE1-CZ3 3.74Å; Y568-K585 VanDerWaalsContact OH-CE 3.26Å; Y568-K585 WeakPolarHBondContact OH-CE 3.35Å; Y568-T700 WeakPolarHBondContact CA-O 3.12Å; Y568-T700 WeakPolarHBondContact CB-O 3.29Å; Y568-T700 PolarHBondContact N-O 3.45Å; Y568-Y701 HydrophobicContact CD1-CD1 4.3Å; Y568-Y701 HydrophobicContact CD1-CE1 4.24Å
569D98.8Very high98.3Very high56 Ų5657.1 Ų57.130%0.29930%0.297SS..Hα-helixtrans-65.5-38.6174.1-57.5-62000110.2I565 L566 Q567 W571 E572 K585I565-D569 HydrophobicContact CG2-CB 3.92Å; L566-D569 PolarHBondContact N-OD2 3.02Å; L566-D569 WeakPolarHBondContact O-CB 3.27Å; L566-D569 PolarHBondContact O-N 2.94Å; Q567-D569 PolarHBondContact O-N 3.15Å; D569-W571 PolarHBondContact O-N 3.24Å; D569-E572 PolarHBondContact O-N 3.07Å; D569-K585 VanDerWaalsContact CG-NZ 3.29Å; D569-K585 IonicContact OD1-NZ 2.78Å; D569-K585 PolarHBondContact OD1-NZ 3.28Å; D569-K585 VanDerWaalsContact OD1-NZ 3.11Å; D569-K585 WeakPolarHBondContact OD2-CE 3.44Å; D569-K585 IonicContact OD2-NZ 3.55Å; D569-K585 PolarHBondContact OD2-NZ 3.44Å
570M98.7Very high98.3Very high31 Ų3161.6 Ų61.615%0.15332%0.321CS..Hα-helixtrans-69.3-16.2175.7-54.8173.8173.800113.3K414 P560 I565 L566 Q567 Y568K414-M570 VanDerWaalsContact CA-SD 3.54Å; K414-M570 HydrophobicContact CB-CB 4.06Å; K414-M570 HydrophobicContact CB-SD 4.27Å; K414-M570 WeakPolarHBondContact CD-O 3.41Å; K414-M570 HydrophobicContact CG-CB 3.97Å; P560-M570 HydrophobicContact CB-CE 3.09Å; P560-M570 HydrophobicContact CG-CE 3.39Å; I565-M570 HydrophobicContact CG2-CE 4.16Å; I565-M570 HydrophobicContact CG2-CG 3.88Å; L566-M570 PolarHBondContact O-N 2.95Å; Q567-M570 WeakPolarHBondContact O-CB 3.36Å; Q567-M570 PolarHBondContact O-N 3.1Å; Q567-M570 PolarHBondContact OE1-SD 3.38Å; Y568-M570 VanDerWaalsContact C-N 3.32Å
571W98.5Very high98.3Very high31 Ų3162 Ų6212%0.11732%0.322CS..THydrogen-bonded Turntrans-96.1-0.6171.6-74.677.2000112.8K414 Q567 Y568 D569 K573 A696 G699 T700 L730 G731K414-W571 HydrophobicContact CD-CD2 4.04Å; K414-W571 HydrophobicContact CD-CG 4.01Å; K414-W571 VanDerWaalsContact NZ-CD2 3.27Å; K414-W571 VanDerWaalsContact NZ-CZ3 3.35Å; Q567-W571 VanDerWaalsContact NE2-NE1 3.17Å; Q567-W571 VanDerWaalsContact O-CD1 3.27Å; Q567-W571 PolarHBondContact O-N 2.63Å; Y568-W571 CarbonylContact O-C 3.31Å; Y568-W571 PolarHBondContact O-N 3.25Å; Y568-W571 VanDerWaalsContact O-N 3.16Å; D569-W571 PolarHBondContact O-N 3.24Å; W571-K573 VanDerWaalsContact C-N 3.27Å; W571-K573 HydrophobicContact CB-CG 4.07Å; W571-K573 PolarHBondContact O-N 3.28Å; W571-A696 HydrophobicContact CZ3-CB 4.41Å; W571-G699 VanDerWaalsContact CE2-O 3.32Å; W571-G699 PolarHBondContact NE1-O 3.12Å; W571-G699 VanDerWaalsContact NE1-O 3.09Å; W571-T700 HydrophobicContact CB-CG2 4.09Å; W571-T700 HydrophobicContact CD2-CG2 4.23Å; W571-T700 HydrophobicContact CE3-CG2 4.34Å; W571-T700 HydrophobicContact CG-CG2 4.17Å; W571-L730 WeakPolarHBondContact CZ3-O 3.45Å; W571-G731 WeakPolarHBondContact CH2-O 3.36Å; W571-G731 WeakPolarHBondContact CZ3-O 3.36Å
572E98.2Very high98.2Very high185 Ų18568.8 Ų68.886%0.86435%0.351SS*.THydrogen-bonded Turntrans55.243-174.7-56.5177-178.600112Y568 D569Y568-E572 PolarHBondContact O-N 2.89Å; Y568-E572 VanDerWaalsContact O-N 3.17Å; D569-E572 PolarHBondContact O-N 3.07Å
573K97.4Very high98.2Very high119 Ų11968.3 Ų68.352%0.51735%0.35SS..  trans-118.7143.2179.8-64.7-60.5-176.1-1780111.7Y568 W571 T700Y568-K573 WeakPolarHBondContact CD2-O 3.48Å; Y568-K573 PolarHBondContact O-N 3.47Å; W571-K573 VanDerWaalsContact C-N 3.27Å; W571-K573 HydrophobicContact CB-CG 4.07Å; W571-K573 PolarHBondContact O-N 3.28Å; K573-T700 HydrophobicContact CB-CG2 4.13Å; K573-T700 HydrophobicContact CG-CG2 3.69Å
574T97.6Very high98.2Very high135 Ų13561.8 Ų61.883%0.82832%0.321SS*.  trans-91.6128.3169.4-50.90000108.8
575P97.7Very high98.3Very high21 Ų2162.9 Ų62.914%0.13632%0.317CS..  trans-62.6172.7172.7-21.933.8000113.2Y568 W581 Y701Y568-P575 HydrophobicContact CD1-CG 3.77Å; Y568-P575 HydrophobicContact CD2-CG 3.57Å; Y568-P575 HydrophobicContact CE1-CG 3.77Å; Y568-P575 HydrophobicContact CE2-CG 3.55Å; Y568-P575 HydrophobicContact CG-CG 3.66Å; P575-W581 VanDerWaalsContact CB-CD1 3.5Å; P575-W581 HydrophobicContact CB-CG 4.32Å; P575-W581 VanDerWaalsContact CB-NE1 3.29Å; P575-W581 HydrophobicContact CG-CD2 4.36Å; P575-W581 HydrophobicContact CG-CG 4.12Å; P575-Y701 WeakPolarHBondContact CA-OH 3.46Å; P575-Y701 HydrophobicContact CB-CE1 4.2Å; P575-Y701 HydrophobicContact CG-CE1 4.38Å
576T97.8Very high98.3Very high38 Ų3865.2 Ų65.223%0.23333%0.327CS..  trans-77.6175.4170750000111I529 E533 L578I529-T576 HydrophobicContact CG2-CG2 3.84Å; E533-T576 VanDerWaalsContact CD-OG1 3.24Å; E533-T576 PolarHBondContact OE1-N 3.08Å; E533-T576 PolarHBondContact OE1-OG1 3.02Å; E533-T576 WeakPolarHBondContact OE2-CB 3.34Å; E533-T576 WeakPolarHBondContact OE2-CG2 3.38Å; E533-T576 PolarHBondContact OE2-N 3.4Å; E533-T576 PolarHBondContact OE2-OG1 3.37Å; T576-L578 PolarHBondContact O-N 3.35Å; T576-L578 WeakPolarHBondContact OG1-CB 3.26Å; T576-L578 PolarHBondContact OG1-N 3.33Å
577D96.6Very high98.2Very high170 Ų17069.5 Ų69.591%0.90935%0.345SS*.THydrogen-bonded Turntrans-8411.9177.2-61.2-36.7000112.9W579D577-W579 PolarHBondContact O-N 3.26Å
578L97.6Very high98.2Very high63 Ų6369.6 Ų69.633%0.3335%0.346SS..THydrogen-bonded Turntrans-67.2-35.1-175.9-175.863.1000112.7F463 H530 T576F463-L578 HydrophobicContact CD1-CD2 4.24Å; F463-L578 HydrophobicContact CG-CD2 4.22Å; H530-L578 HydrophobicContact CB-CD2 3.88Å; T576-L578 PolarHBondContact O-N 3.35Å; T576-L578 WeakPolarHBondContact OG1-CB 3.26Å; T576-L578 PolarHBondContact OG1-N 3.33Å
579W98.4Very high98.2Very high50 Ų5073.1 Ų73.119%0.18938%0.377CS..SBendtrans-132.8147.3-178.1-63102.4000112.4F463 A467 T534 Y537 D577 W581F463-W579 HydrophobicContact CB-CZ2 4.31Å; A467-W579 HydrophobicContact CB-CH2 3.93Å; A467-W579 HydrophobicContact CB-CZ2 4.05Å; T534-W579 HydrophobicContact CG2-CZ2 3.7Å; T534-W579 PolarHBondContact OG1-NE1 3.09Å; Y537-W579 HydrophobicContact CD1-CB 4.13Å; Y537-W579 AromaticContact CD1-CD2 3.84Å; Y537-W579 HydrophobicContact CD1-CD2 3.84Å; Y537-W579 AromaticContact CD1-CE3 3.76Å; Y537-W579 HydrophobicContact CD1-CE3 3.76Å; Y537-W579 HydrophobicContact CD1-CG 4.01Å; Y537-W579 HydrophobicContact CD1-CZ3 4.5Å; Y537-W579 HydrophobicContact CD2-CB 3.48Å; Y537-W579 VanDerWaalsContact CD2-CB 3.48Å; Y537-W579 HydrophobicContact CD2-CG 4.14Å; Y537-W579 HydrophobicContact CE1-CB 4.36Å; Y537-W579 HydrophobicContact CE1-CD2 4.21Å; Y537-W579 AromaticContact CE1-CE3 3.7Å; Y537-W579 HydrophobicContact CE1-CE3 3.7Å; Y537-W579 HydrophobicContact CE1-CZ3 4.41Å; Y537-W579 HydrophobicContact CE2-CB 3.73Å; Y537-W579 HydrophobicContact CG-CB 3.69Å; Y537-W579 HydrophobicContact CG-CD2 4.16Å; Y537-W579 HydrophobicContact CG-CE3 4.47Å; Y537-W579 AromaticContact CG-CG 3.82Å; Y537-W579 HydrophobicContact CG-CG 3.82Å; D577-W579 PolarHBondContact O-N 3.26Å; W579-W581 VanDerWaalsContact O-CD1 3.22Å; W579-W581 PolarHBondContact O-N 3.05Å
580D98.4Very high98.2Very high94 Ų9478 Ų7850%0.50340%0.396SS..  trans-82.381.4-179.5-170.7-14.3000112.1Y537 K582 A583 L584Y537-D580 WeakPolarHBondContact CE2-O 3.22Å; Y537-D580 PolarHBondContact OH-O 3.33Å; D580-K582 PolarHBondContact O-N 3.04Å; D580-K582 WeakPolarHBondContact OD1-CB 3.42Å; D580-K582 PolarHBondContact OD1-N 2.78Å; D580-K582 VanDerWaalsContact OD1-N 3.15Å; D580-A583 HydrophobicContact CB-CB 4.16Å; D580-A583 VanDerWaalsContact CG-CB 3.48Å; D580-A583 PolarHBondContact O-N 3.39Å; D580-A583 PolarHBondContact OD1-N 2.91Å; D580-A583 WeakPolarHBondContact OD2-CB 3.4Å; D580-L584 PolarHBondContact O-N 3.28Å
581W98.6Very high98.2Very high17 Ų1779.9 Ų79.96%0.06440%0.404CS..Hα-helixtrans-60.7-28177.8-70.6100000114E533 Y536 Y537 L540 L566 Y568 P575 W579 L584 K585 Y701E533-W581 HydrophobicContact CG-CZ2 3.63Å; E533-W581 PolarHBondContact OE1-NE1 3.29Å; Y536-W581 AromaticContact CD1-CH2 3.47Å; Y536-W581 HydrophobicContact CD1-CH2 3.47Å; Y536-W581 VanDerWaalsContact CD1-CH2 3.47Å; Y536-W581 HydrophobicContact CD1-CZ2 4.47Å; Y536-W581 AromaticContact CD1-CZ3 3.94Å; Y536-W581 HydrophobicContact CD1-CZ3 3.94Å; Y536-W581 HydrophobicContact CE1-CH2 4.15Å; Y536-W581 HydrophobicContact CE1-CZ3 4.17Å; Y536-W581 HydrophobicContact CG-CH2 4.23Å; Y537-W581 AromaticContact CD2-CD2 3.92Å; Y537-W581 HydrophobicContact CD2-CD2 3.92Å; Y537-W581 AromaticContact CD2-CE2 3.97Å; Y537-W581 AromaticContact CD2-CE3 3.9Å; Y537-W581 HydrophobicContact CD2-CE3 3.9Å; Y537-W581 HydrophobicContact CD2-CH2 4.04Å; Y537-W581 HydrophobicContact CD2-CZ2 4.04Å; Y537-W581 AromaticContact CD2-CZ3 3.97Å; Y537-W581 HydrophobicContact CD2-CZ3 3.97Å; Y537-W581 HydrophobicContact CG-CH2 4.37Å; Y537-W581 HydrophobicContact CG-CZ2 4.44Å; L540-W581 HydrophobicContact CD1-CZ3 3.95Å; L566-W581 HydrophobicContact CD1-CE3 3.71Å; L566-W581 HydrophobicContact CD1-CZ3 3.86Å; Y568-W581 AromaticContact CE1-CD2 3.72Å; Y568-W581 HydrophobicContact CE1-CD2 3.72Å; Y568-W581 AromaticContact CE1-CE3 3.48Å; Y568-W581 HydrophobicContact CE1-CE3 3.48Å; Y568-W581 VanDerWaalsContact CE1-CE3 3.48Å; Y568-W581 HydrophobicContact CE1-CG 4.38Å; Y568-W581 HydrophobicContact CE1-CH2 4.19Å; Y568-W581 HydrophobicContact CE1-CZ2 4.4Å; Y568-W581 AromaticContact CE1-CZ3 3.74Å; Y568-W581 HydrophobicContact CE1-CZ3 3.74Å; P575-W581 VanDerWaalsContact CB-CD1 3.5Å; P575-W581 HydrophobicContact CB-CG 4.32Å; P575-W581 VanDerWaalsContact CB-NE1 3.29Å; P575-W581 HydrophobicContact CG-CD2 4.36Å; P575-W581 HydrophobicContact CG-CG 4.12Å; W579-W581 VanDerWaalsContact O-CD1 3.22Å; W579-W581 PolarHBondContact O-N 3.05Å; W581-L584 HydrophobicContact CE3-CD2 4.13Å; W581-L584 HydrophobicContact CZ3-CD2 4.01Å; W581-K585 WeakPolarHBondContact O-CB 3.47Å; W581-K585 WeakPolarHBondContact O-CG 3.31Å; W581-K585 PolarHBondContact O-N 3.19Å; W581-Y701 HydrophobicContact CZ2-CD1 4.4Å; W581-Y701 HydrophobicContact CZ2-CE1 4.35Å
582K98.3Very high98.2Very high147 Ų14778.5 Ų78.564%0.63940%0.4SS*.Hα-helixtrans-69.9-49179.4-176.6-174.3173.2-170.70110.1D580 L584 K585 E586D580-K582 PolarHBondContact O-N 3.04Å; D580-K582 WeakPolarHBondContact OD1-CB 3.42Å; D580-K582 PolarHBondContact OD1-N 2.78Å; D580-K582 VanDerWaalsContact OD1-N 3.15Å; K582-L584 VanDerWaalsContact C-N 3.27Å; K582-L584 PolarHBondContact O-N 3.24Å; K582-K585 PolarHBondContact O-N 3.3Å; K582-E586 WeakPolarHBondContact CE-OE1 3.36Å; K582-E586 WeakPolarHBondContact O-CG 3.33Å; K582-E586 PolarHBondContact O-N 3.13Å
583A98.4Very high98.3Very high30 Ų3069.8 Ų69.825%0.24836%0.359CS..Hα-helixtrans-59.5-39.6175.800000111.6D580 E586 K587D580-A583 HydrophobicContact CB-CB 4.16Å; D580-A583 VanDerWaalsContact CG-CB 3.48Å; D580-A583 PolarHBondContact O-N 3.39Å; D580-A583 PolarHBondContact OD1-N 2.91Å; D580-A583 WeakPolarHBondContact OD2-CB 3.4Å; A583-E586 PolarHBondContact O-N 2.6Å; A583-K587 WeakPolarHBondContact O-CG 3.43Å; A583-K587 PolarHBondContact O-N 3Å
584L98.7Very high98.3Very high0 Ų066 Ų660%034%0.341CS..Hα-helixtrans-65.5-44.1175.9-179.458.9000112.5Y537 L540 E541 D580 W581 K582 E586 K587 I588Y537-L584 HydrophobicContact CD2-CB 4.44Å; Y537-L584 HydrophobicContact CD2-CD2 3.52Å; Y537-L584 HydrophobicContact CE2-CB 3.68Å; Y537-L584 HydrophobicContact CE2-CD2 3.58Å; Y537-L584 HydrophobicContact CE2-CG 4.24Å; Y537-L584 HydrophobicContact CG-CD2 4.07Å; L540-L584 HydrophobicContact CB-CD2 3.9Å; L540-L584 HydrophobicContact CD1-CD2 4.31Å; E541-L584 HydrophobicContact CB-CD1 3.92Å; E541-L584 HydrophobicContact CG-CD1 4.25Å; D580-L584 PolarHBondContact O-N 3.28Å; W581-L584 HydrophobicContact CE3-CD2 4.13Å; W581-L584 HydrophobicContact CZ3-CD2 4.01Å; K582-L584 VanDerWaalsContact C-N 3.27Å; K582-L584 PolarHBondContact O-N 3.24Å; L584-E586 VanDerWaalsContact C-N 3.28Å; L584-E586 PolarHBondContact O-N 3.42Å; L584-K587 WeakPolarHBondContact O-CB 3.34Å; L584-K587 PolarHBondContact O-N 3.34Å; L584-I588 HydrophobicContact CD1-CD1 4.13Å; L584-I588 HydrophobicContact CD1-CG1 4.25Å; L584-I588 HydrophobicContact CG-CD1 3.91Å; L584-I588 HydrophobicContact CG-CG1 4.47Å; L584-I588 WeakPolarHBondContact O-CG1 3.47Å; L584-I588 PolarHBondContact O-N 3.23Å
585K98.8Very high98.4Very high54 Ų5459.7 Ų59.724%0.23530%0.302CS..Hα-helixtrans-59.1-38.8174.8-79.7-175.1173.8-171.20112G564 L566 Y568 D569 W581 K582 I588 A589G564-K585 VanDerWaalsContact O-CE 3.22Å; G564-K585 WeakPolarHBondContact O-CE 3.37Å; G564-K585 PolarHBondContact O-NZ 3.25Å; G564-K585 VanDerWaalsContact O-NZ 3.13Å; L566-K585 HydrophobicContact CD1-CG 3.93Å; L566-K585 HydrophobicContact CG-CG 4.32Å; Y568-K585 VanDerWaalsContact OH-CE 3.26Å; Y568-K585 WeakPolarHBondContact OH-CE 3.35Å; D569-K585 VanDerWaalsContact CG-NZ 3.29Å; D569-K585 IonicContact OD1-NZ 2.78Å; D569-K585 PolarHBondContact OD1-NZ 3.28Å; D569-K585 VanDerWaalsContact OD1-NZ 3.11Å; D569-K585 WeakPolarHBondContact OD2-CE 3.44Å; D569-K585 IonicContact OD2-NZ 3.55Å; D569-K585 PolarHBondContact OD2-NZ 3.44Å; W581-K585 WeakPolarHBondContact O-CB 3.47Å; W581-K585 WeakPolarHBondContact O-CG 3.31Å; W581-K585 PolarHBondContact O-N 3.19Å; K582-K585 PolarHBondContact O-N 3.3Å; K585-I588 PolarHBondContact O-N 2.99Å; K585-A589 WeakPolarHBondContact O-CB 3.48Å; K585-A589 PolarHBondContact O-N 2.67Å
586E98.6Very high98.4Very high116 Ų11658.8 Ų58.854%0.54230%0.296SS..Hα-helixtrans-64.4-41.9175.1-71.1172.9-17200112.2K582 A583 L584 A589 K590K582-E586 WeakPolarHBondContact CE-OE1 3.36Å; K582-E586 WeakPolarHBondContact O-CG 3.33Å; K582-E586 PolarHBondContact O-N 3.13Å; A583-E586 PolarHBondContact O-N 2.6Å; L584-E586 VanDerWaalsContact C-N 3.28Å; L584-E586 PolarHBondContact O-N 3.42Å; E586-A589 PolarHBondContact O-N 3.42Å; E586-K590 PolarHBondContact O-N 3.47Å
587K98.6Very high98.5Very high92 Ų9257 Ų5740%0.429%0.285SS..Hα-helixtrans-61.8-46.8173.4-69.3178-173.5-178.20111.6E541 A583 L584 A589 K590 H591E541-K587 IonicContact OE1-NZ 3.1Å; E541-K587 PolarHBondContact OE1-NZ 3.23Å; A583-K587 WeakPolarHBondContact O-CG 3.43Å; A583-K587 PolarHBondContact O-N 3Å; L584-K587 WeakPolarHBondContact O-CB 3.34Å; L584-K587 PolarHBondContact O-N 3.34Å; K587-A589 VanDerWaalsContact C-N 3.35Å; K587-A589 PolarHBondContact O-N 3.13Å; K587-K590 PolarHBondContact O-N 3.4Å; K587-K590 VanDerWaalsContact O-N 3.13Å; K587-H591 PolarHBondContact O-CD2 3.35Å; K587-H591 PolarHBondContact O-N 3.19Å
588I98.8Very high98.6Very high3 Ų349 Ų492%0.01524%0.243CC..Hα-helixtrans-62.3-42178.8-69.3168.5000110.8L540 C544 Y556 L566 L584 K585 K590 H591 G592 V593L540-I588 HydrophobicContact CB-CD1 4.39Å; L540-I588 HydrophobicContact CD2-CD1 4.18Å; C544-I588 HydrophobicContact CB-CG1 4.22Å; Y556-I588 PolarHBondContact OH-O 2.96Å; L566-I588 HydrophobicContact CD2-CD1 4.17Å; L584-I588 HydrophobicContact CD1-CD1 4.13Å; L584-I588 HydrophobicContact CD1-CG1 4.25Å; L584-I588 HydrophobicContact CG-CD1 3.91Å; L584-I588 HydrophobicContact CG-CG1 4.47Å; L584-I588 WeakPolarHBondContact O-CG1 3.47Å; L584-I588 PolarHBondContact O-N 3.23Å; K585-I588 PolarHBondContact O-N 2.99Å; I588-K590 PolarHBondContact O-N 2.71Å; I588-H591 PolarHBondContact O-N 3.5Å; I588-G592 VanDerWaalsContact O-CA 3.28Å; I588-G592 WeakPolarHBondContact O-CA 3.35Å; I588-G592 PolarHBondContact O-N 3.09Å; I588-V593 HydrophobicContact CD1-CG1 4.25Å; I588-V593 HydrophobicContact CG1-CG1 3.92Å; I588-V593 HydrophobicContact CG2-CG1 4.09Å
589A98.6Very high98.7Very high84 Ų8446 Ų4669%0.69423%0.227SC*.Hα-helixtrans-60.7-31.5177.200000112.4K585 E586 K587K585-A589 WeakPolarHBondContact O-CB 3.48Å; K585-A589 PolarHBondContact O-N 2.67Å; E586-A589 PolarHBondContact O-N 3.42Å; K587-A589 VanDerWaalsContact C-N 3.35Å; K587-A589 PolarHBondContact O-N 3.13Å
590K98.5Very high98.7Very high159 Ų15943.6 Ų43.669%0.69122%0.218SC*.Hα-helixtrans-81.5-40.3179-176178.7171.5-164.40113.5E586 K587 I588E586-K590 PolarHBondContact O-N 3.47Å; K587-K590 PolarHBondContact O-N 3.4Å; K587-K590 VanDerWaalsContact O-N 3.13Å; I588-K590 PolarHBondContact O-N 2.71Å
591H98.6Very high98.7Very high69 Ų6939.1 Ų39.132%0.31919%0.194SC..Hα-helixtrans-114.9-17.1-167.2-64.8-67.3000114.6A547 A548 K587 I588A547-H591 WeakPolarHBondContact CB-O 3.42Å; A548-H591 HydrophobicContact CB-CB 4.1Å; K587-H591 PolarHBondContact O-CD2 3.35Å; K587-H591 PolarHBondContact O-N 3.19Å; I588-H591 PolarHBondContact O-N 3.5Å
592G98.7Very high98.7Very high3 Ų338.7 Ų38.73%0.03119%0.193CC..  trans71.9-166.1-167.900000113.3C544 A547 Y556 I588C544-G592 WeakPolarHBondContact CA-O 3.27Å; C544-G592 PolarHBondContact SG-O 2.95Å; A547-G592 WeakPolarHBondContact CB-O 3.41Å; Y556-G592 VanDerWaalsContact CZ-CA 3.41Å; Y556-G592 WeakPolarHBondContact OH-CA 3.19Å; I588-G592 VanDerWaalsContact O-CA 3.28Å; I588-G592 WeakPolarHBondContact O-CA 3.35Å; I588-G592 PolarHBondContact O-N 3.09Å
593V98.9Very high98.6Very high1 Ų133.5 Ų33.51%0.00617%0.174CC..  trans-131.9151.3173.7-59.90000110.3L540 C544 P552 Y553 Y556 V561 I588 N595L540-V593 HydrophobicContact CD2-CG1 4.29Å; C544-V593 HydrophobicContact CB-CG1 4.38Å; P552-V593 VanDerWaalsContact CA-O 3.29Å; P552-V593 WeakPolarHBondContact CA-O 3.49Å; P552-V593 WeakPolarHBondContact CB-O 3.44Å; Y553-V593 HydrophobicContact CD1-CG2 4.48Å; Y553-V593 VanDerWaalsContact CD1-O 3.26Å; Y553-V593 WeakPolarHBondContact CD1-O 3.43Å; Y553-V593 HydrophobicContact CE1-CG2 3.88Å; Y553-V593 PolarHBondContact N-O 3.2Å; Y556-V593 HydrophobicContact CD2-CG2 4.03Å; Y556-V593 HydrophobicContact CE2-CG2 3.99Å; V561-V593 HydrophobicContact CG2-CG2 4.06Å; I588-V593 HydrophobicContact CD1-CG1 4.25Å; I588-V593 HydrophobicContact CG1-CG1 3.92Å; I588-V593 HydrophobicContact CG2-CG1 4.09Å; V593-N595 WeakPolarHBondContact CG2-O 3.45Å
594R98.9Very high98.5Very high40 Ų4032.2 Ų32.215%0.15116%0.163CC..SBendtrans-83.5-19.9-174.3-172.360.5-179.8179.7-3.7113.4S543 L546 A547 F550 G551 Y553S543-R594 WeakPolarHBondContact O-CB 3.42Å; S543-R594 PolarHBondContact O-N 3.45Å; S543-R594 PolarHBondContact OG-N 3.03Å; L546-R594 HydrophobicContact CB-CB 3.62Å; L546-R594 HydrophobicContact CB-CG 3.9Å; A547-R594 HydrophobicContact CB-CB 4.44Å; F550-R594 PolarHBondContact O-NH1 2.91Å; G551-R594 WeakPolarHBondContact O-CD 3.35Å; G551-R594 PolarHBondContact O-NH1 3.47Å; Y553-R594 WeakPolarHBondContact CB-O 3.47Å
595N98.9Very high98.1Very high2 Ų234.4 Ų34.41%0.01118%0.182CC..  trans-127134.8-173.8-54.298000109.8R499 S543 V593 L597 L598R499-N595 WeakPolarHBondContact O-CA 3.18Å; R499-N595 VanDerWaalsContact O-CB 3.25Å; R499-N595 WeakPolarHBondContact O-CB 3.42Å; R499-N595 PolarHBondContact O-ND2 2.84Å; S543-N595 PolarHBondContact OG-N 3.05Å; S543-N595 PolarHBondContact OG-OD1 3.02Å; V593-N595 WeakPolarHBondContact CG2-O 3.45Å; N595-L597 VanDerWaalsContact C-N 3.35Å; N595-L598 HydrophobicContact CB-CD2 3.83Å
596S98.9Very high97.6Very high2 Ų234.4 Ų34.41%0.01419%0.188CC..SBendtrans-70.2-31.8179.765.60000113.5N416 Q417 H498N416-S596 WeakPolarHBondContact CB-O 3.42Å; N416-S596 PolarHBondContact ND2-O 3.4Å; Q417-S596 PolarHBondContact NE2-OG 3.24Å; H498-S596 WeakPolarHBondContact O-CB 3.28Å; H498-S596 PolarHBondContact O-N 2.93Å; H498-S596 PolarHBondContact O-OG 3.4Å
597L98.9Very high97.5Very high0 Ų029.2 Ų29.20%017%0.165CC..  trans-143.3149.7-176.3-64.3168.3000109N416 Q417 E434 P500 I501 N595 D703 Q704N416-L597 HydrophobicContact CB-CD2 4.07Å; Q417-L597 HydrophobicContact CG-CD1 3.95Å; Q417-L597 HydrophobicContact CG-CG 4.19Å; E434-L597 HydrophobicContact CG-CD1 3.76Å; P500-L597 HydrophobicContact CB-CB 4.17Å; I501-L597 WeakPolarHBondContact CG1-O 3.44Å; I501-L597 PolarHBondContact N-O 3.38Å; I501-L597 CarbonylContact O-C 3.54Å; N595-L597 VanDerWaalsContact C-N 3.35Å; L597-D703 VanDerWaalsContact CA-OD2 3.31Å; L597-D703 WeakPolarHBondContact CA-OD2 3.44Å; L597-D703 HydrophobicContact CD2-CB 3.88Å; L597-Q704 HydrophobicContact CB-CG 3.88Å; L597-Q704 HydrophobicContact CD1-CG 4.04Å; L597-Q704 HydrophobicContact CD2-CG 4.37Å; L597-Q704 HydrophobicContact CG-CG 4.31Å
598L98.9Very high97.4Very high2 Ų224.9 Ų24.91%0.0115%0.146CC..  trans-131-43.1-165.9-65.3169.7000114.2I501 G502 I503 A539 L540 N595 D703I501-L598 HydrophobicContact CD1-CD2 3.73Å; I501-L598 HydrophobicContact CG1-CD2 3.93Å; I501-L598 CarbonylContact O-C 3.6Å; I501-L598 WeakPolarHBondContact O-CA 3.49Å; I501-L598 PolarHBondContact O-N 3.36Å; G502-L598 CarbonylContact C-O 3.6Å; I503-L598 WeakPolarHBondContact CG1-O 3.36Å; I503-L598 PolarHBondContact N-O 3.37Å; A539-L598 HydrophobicContact CB-CB 4.17Å; A539-L598 HydrophobicContact CB-CD1 3.97Å; A539-L598 HydrophobicContact CB-CD2 4.38Å; A539-L598 HydrophobicContact CB-CG 4.42Å; L540-L598 HydrophobicContact CB-CD1 4.3Å; L540-L598 HydrophobicContact CD2-CD1 3.66Å; L540-L598 HydrophobicContact CG-CD1 3.69Å; N595-L598 HydrophobicContact CB-CD2 3.83Å; L598-D703 WeakPolarHBondContact CB-OD2 3.14Å; L598-D703 VanDerWaalsContact N-CG 3.3Å; L598-D703 PolarHBondContact N-OD1 3.04Å; L598-D703 VanDerWaalsContact N-OD1 3.1Å; L598-D703 PolarHBondContact N-OD2 2.66Å
599L98.9Very high97.1Very high1 Ų126.8 Ų26.81%0.00515%0.154CC..BIsolated β-bridgetrans-117.9128.7-168.3-88.565000111.4I503 I535 Y536 A539 Y701 I702 D703 Q704I503-L599 HydrophobicContact CB-CD1 4.44Å; I503-L599 WeakPolarHBondContact O-CA 3.36Å; I535-L599 HydrophobicContact CB-CD2 4.18Å; I535-L599 HydrophobicContact CG2-CD1 4.06Å; I535-L599 HydrophobicContact CG2-CD2 3.8Å; I535-L599 HydrophobicContact CG2-CG 3.96Å; Y536-L599 HydrophobicContact CD2-CD1 4.17Å; Y536-L599 HydrophobicContact CD2-CD2 4.33Å; A539-L599 HydrophobicContact CB-CD1 3.83Å; L599-Y701 VanDerWaalsContact CD2-O 3.28Å; L599-Y701 WeakPolarHBondContact CD2-O 3.5Å; L599-I702 HydrophobicContact CB-CG1 4.46Å; L599-I702 HydrophobicContact CB-CG2 4.44Å; L599-I702 WeakPolarHBondContact O-CG2 3.5Å; L599-D703 PolarHBondContact N-OD1 3.28Å; L599-Q704 VanDerWaalsContact O-CB 3.23Å; L599-Q704 WeakPolarHBondContact O-CB 3.32Å; L599-Q704 WeakPolarHBondContact O-CG 3.23Å; L599-Q704 PolarHBondContact O-N 2.65Å
600A98.7Very high96.9Very high0 Ų023 Ų230%012%0.123CC..  trans-154.488.8175.900000111.1E431 I432 I503 M602 Q704 S705E431-A600 HydrophobicContact CB-CB 4.41Å; E431-A600 HydrophobicContact CG-CB 4.01Å; I432-A600 HydrophobicContact CD1-CB 3.39Å; I503-A600 PolarHBondContact O-N 3.03Å; A600-M602 PolarHBondContact O-N 3.2Å; A600-Q704 HydrophobicContact CB-CB 3.86Å; A600-Q704 HydrophobicContact CB-CG 4.12Å; A600-S705 WeakPolarHBondContact CA-O 3.37Å
601P98.7Very high96.8Very high0 Ų016.2 Ų16.20%09%0.094CC..  trans-62.5102.5178.3-26.538000112.7F532 I702 S705 Q706 S707F532-P601 HydrophobicContact CE1-CG 3.67Å; F532-P601 HydrophobicContact CZ-CG 4.27Å; P601-I702 HydrophobicContact CG-CD1 3.74Å; P601-I702 HydrophobicContact CG-CG1 4.38Å; P601-S705 VanDerWaalsContact CD-O 3.27Å; P601-S705 WeakPolarHBondContact CD-O 3.1Å; P601-Q706 HydrophobicContact CB-CB 4.06Å; P601-Q706 HydrophobicContact CG-CB 4.24Å; P601-Q706 WeakPolarHBondContact O-CA 3.42Å; P601-S707 PolarHBondContact O-N 3.05Å
602M98.3Very high96.6Very high8 Ų814.3 Ų14.34%0.0399%0.093CC..  trans-87.8168.3179.872.7-72.6-160.100112.5E431 L446 A600 T604 S616E431-M602 HydrophobicContact CG-CB 3.88Å; E431-M602 WeakPolarHBondContact OE1-CB 3.31Å; L446-M602 HydrophobicContact CB-CE 4.2Å; L446-M602 HydrophobicContact CD1-CB 4.17Å; L446-M602 HydrophobicContact CD1-CG 4.11Å; A600-M602 PolarHBondContact O-N 3.2Å; M602-T604 HydrophobicContact CE-CG2 4.19Å; M602-T604 HydrophobicContact CG-CG2 4.35Å; M602-T604 HydrophobicContact SD-CG2 4.32Å; M602-S616 VanDerWaalsContact O-CB 3.29Å; M602-S616 WeakPolarHBondContact O-CB 3.5Å; M602-S616 PolarHBondContact O-OG 2.74Å
603P96.9Very high96.5Very high38 Ų3815.1 Ų15.125%0.24710%0.096CC..  trans-70.6132.6167.3-11.630.7000109.3C429 S707 Y737C429-P603 HydrophobicContact CB-CG 3.85Å; P603-S707 WeakPolarHBondContact CD-OG 3.44Å; P603-Y737 HydrophobicContact CG-CD1 4.42Å; P603-Y737 HydrophobicContact CG-CE1 3.74Å
604T96.4Very high96.4Very high2 Ų216.1 Ų16.11%0.01210%0.102CC..  trans-109.829.7-175.558.80000112.7Q506 M602 S606 T607 A608 S616Q506-T604 HydrophobicContact CB-CG2 4.11Å; M602-T604 HydrophobicContact CE-CG2 4.19Å; M602-T604 HydrophobicContact CG-CG2 4.35Å; M602-T604 HydrophobicContact SD-CG2 4.32Å; T604-S606 VanDerWaalsContact C-N 3.32Å; T604-S606 PolarHBondContact O-N 2.97Å; T604-S606 VanDerWaalsContact O-N 3.09Å; T604-T607 PolarHBondContact O-N 3.38Å; T604-T607 VanDerWaalsContact O-N 3.15Å; T604-T607 PolarHBondContact O-OG1 3.13Å; T604-A608 VanDerWaalsContact O-CB 3.23Å; T604-A608 WeakPolarHBondContact O-CB 3.36Å; T604-A608 PolarHBondContact O-N 3.2Å; T604-A608 WeakPolarHBondContact OG1-CB 3.41Å; T604-S616 PolarHBondContact OG1-N 2.84Å
605A89.4Confident96.3Very high47 Ų4716.8 Ų16.839%0.38811%0.107SC..Hα-helixtrans-44.1-48.5-171.400000115.3Q609 E615A605-Q609 WeakPolarHBondContact O-CB 3.37Å; A605-E615 WeakPolarHBondContact CA-OE2 3.44Å; A605-E615 WeakPolarHBondContact CB-OE2 3.39Å; A605-E615 PolarHBondContact N-OE2 2.89Å
606S89.7Confident96.2Very high54 Ų5416.9 Ų16.938%0.37811%0.107SC..Hα-helixtrans-83.6-42.9179.2-64.90000113.3Y155 T604 Q609 I610Y155-S606 VanDerWaalsContact OH-CB 3.3Å; Y155-S606 WeakPolarHBondContact OH-CB 3.43Å; T604-S606 VanDerWaalsContact C-N 3.32Å; T604-S606 PolarHBondContact O-N 2.97Å; T604-S606 VanDerWaalsContact O-N 3.09Å; S606-Q609 PolarHBondContact O-N 3.44Å; S606-I610 WeakPolarHBondContact O-CG1 3.44Å; S606-I610 PolarHBondContact O-N 3.38Å
607T95.7Very high96.2Very high7 Ų717 Ų174%0.04311%0.108CC..Hα-helixtrans-75-35.4-173.146.20000112.7T199 L205 T604 I610 L611T199-T607 HydrophobicContact CG2-CG2 4.05Å; L205-T607 HydrophobicContact CD1-CG2 4.33Å; T604-T607 PolarHBondContact O-N 3.38Å; T604-T607 VanDerWaalsContact O-N 3.15Å; T604-T607 PolarHBondContact O-OG1 3.13Å; T607-I610 WeakPolarHBondContact O-CB 3.44Å; T607-I610 PolarHBondContact O-N 2.99Å; T607-L611 PolarHBondContact O-N 3.45Å
608A95.8Very high96.1Very high0 Ų018.3 Ų18.30%011%0.114CC..Hα-helixtrans-67.2-37.5171.200000112Q506 T604 I610 L611 G612 N613Q506-A608 HydrophobicContact CB-CB 4.19Å; T604-A608 VanDerWaalsContact O-CB 3.23Å; T604-A608 WeakPolarHBondContact O-CB 3.36Å; T604-A608 PolarHBondContact O-N 3.2Å; T604-A608 WeakPolarHBondContact OG1-CB 3.41Å; A608-I610 VanDerWaalsContact C-N 3.32Å; A608-I610 PolarHBondContact O-N 3.03Å; A608-L611 PolarHBondContact O-N 2.93Å; A608-G612 WeakPolarHBondContact O-CA 3.32Å; A608-G612 PolarHBondContact O-N 3.28Å; A608-N613 HydrophobicContact CB-CB 4.33Å; A608-N613 PolarHBondContact O-N 2.95Å
609Q92.9Very high96Very high43 Ų4318.4 Ų18.420%0.20112%0.115CC..Hα-helixtrans-62.4-39.3171.5-175.4176.7-16.800112.2G147 T150 A605 S606 G612 R627G147-Q609 WeakPolarHBondContact CA-O 3.23Å; T150-Q609 PolarHBondContact OG1-NE2 3.49Å; A605-Q609 WeakPolarHBondContact O-CB 3.37Å; S606-Q609 PolarHBondContact O-N 3.44Å; Q609-G612 PolarHBondContact O-N 3.33Å; Q609-R627 VanDerWaalsContact OE1-NH1 3.12Å
610I94.8Very high95.9Very high6 Ų619.1 Ų19.13%0.03112%0.118CC..Hα-helixtrans-61.5-46.9175.3-70.1164.1000110.7Y143 T150 L151 Y155 S606 T607 A608 G612Y143-I610 HydrophobicContact CD1-CG2 4.45Å; Y143-I610 WeakPolarHBondContact CD1-O 3.26Å; Y143-I610 HydrophobicContact CE1-CG2 3.97Å; T150-I610 HydrophobicContact CG2-CD1 4.12Å; T150-I610 HydrophobicContact CG2-CG1 3.71Å; L151-I610 HydrophobicContact CD1-CG2 3.97Å; L151-I610 HydrophobicContact CD2-CD1 3.78Å; L151-I610 HydrophobicContact CD2-CG1 4.06Å; L151-I610 HydrophobicContact CD2-CG2 3.84Å; L151-I610 HydrophobicContact CG-CD1 4.39Å; L151-I610 HydrophobicContact CG-CG1 4.13Å; L151-I610 HydrophobicContact CG-CG2 3.86Å; Y155-I610 HydrophobicContact CD1-CD1 4.39Å; Y155-I610 HydrophobicContact CD2-CD1 4.01Å; Y155-I610 HydrophobicContact CE1-CD1 4.08Å; Y155-I610 HydrophobicContact CE2-CD1 3.69Å; Y155-I610 HydrophobicContact CG-CD1 4.36Å; S606-I610 WeakPolarHBondContact O-CG1 3.44Å; S606-I610 PolarHBondContact O-N 3.38Å; T607-I610 WeakPolarHBondContact O-CB 3.44Å; T607-I610 PolarHBondContact O-N 2.99Å; A608-I610 VanDerWaalsContact C-N 3.32Å; A608-I610 PolarHBondContact O-N 3.03Å; I610-G612 VanDerWaalsContact C-N 3.32Å
611L96.5Very high95.7Very high16 Ų1621.9 Ų21.98%0.08414%0.135CC..Hα-helixtrans-76.4-20.5-179-61.2-165.6000113.3K196 T199 A450 T607 A608K196-L611 HydrophobicContact CB-CD2 4.06Å; K196-L611 HydrophobicContact CD-CD2 4.17Å; K196-L611 HydrophobicContact CG-CD2 3.95Å; T199-L611 HydrophobicContact CG2-CD1 4.01Å; T199-L611 HydrophobicContact CG2-CG 4.45Å; A450-L611 HydrophobicContact CB-CD1 3.99Å; T607-L611 PolarHBondContact O-N 3.45Å; A608-L611 PolarHBondContact O-N 2.93Å
612G93.8Very high95.5Very high29 Ų2922.7 Ų22.730%0.29914%0.14SC..THydrogen-bonded Turntrans87.526.3-177.600000113.9N144 A608 Q609 I610N144-G612 WeakPolarHBondContact ND2-CA 3.4Å; A608-G612 WeakPolarHBondContact O-CA 3.32Å; A608-G612 PolarHBondContact O-N 3.28Å; Q609-G612 PolarHBondContact O-N 3.33Å; I610-G612 VanDerWaalsContact C-N 3.32Å
613N96.4Very high95.4Very high20 Ų2022.3 Ų22.311%0.10714%0.139CC..  trans-105.9162.1-177.8-63.1-23.3000111.5N452 Q506 A608N452-N613 VanDerWaalsContact CG-OD1 3.24Å; N452-N613 PolarHBondContact ND2-OD1 3.45Å; N452-N613 VanDerWaalsContact OD1-CG 3.3Å; N452-N613 PolarHBondContact OD1-ND2 2.77Å; N452-N613 PolarHBondContact OD1-OD1 3.1Å; N452-N613 VanDerWaalsContact OD1-OD1 3.12Å; Q506-N613 PolarHBondContact OE1-ND2 2.89Å; A608-N613 HydrophobicContact CB-CB 4.33Å; A608-N613 PolarHBondContact O-N 2.95Å
614N96.8Very high95.1Very high22 Ų2221.7 Ų21.712%0.11813%0.132CC..  trans-70.2155.2165.7-159.649.9000111.2G507 A509 D510 S616 E618 A619 Y620G507-N614 PolarHBondContact N-O 2.61Å; A509-N614 HydrophobicContact CB-CB 4.31Å; D510-N614 WeakPolarHBondContact OD2-CB 3.32Å; D510-N614 PolarHBondContact OD2-N 2.93Å; N614-S616 PolarHBondContact O-N 2.84Å; N614-E618 PolarHBondContact ND2-O 2.99Å; N614-A619 PolarHBondContact ND2-O 2.77Å; N614-Y620 HydrophobicContact CB-CD2 4.31Å; N614-Y620 HydrophobicContact CB-CE1 4.32Å; N614-Y620 HydrophobicContact CB-CE2 3.8Å
615E96.3Very high94.7Very high54 Ų5424.4 Ų24.425%0.25214%0.143SC..  trans-70.1129.8-173.9-64.2-166.8-142.600112.6A605 I617 E618A605-E615 WeakPolarHBondContact CA-OE2 3.44Å; A605-E615 WeakPolarHBondContact CB-OE2 3.39Å; A605-E615 PolarHBondContact N-OE2 2.89Å; E615-I617 PolarHBondContact O-N 3.38Å; E615-E618 WeakPolarHBondContact O-CB 3.46Å; E615-E618 PolarHBondContact O-N 2.79Å
616S98Very high94.5Very high3 Ų325.5 Ų25.52%0.02114%0.144CC..THydrogen-bonded Turntrans45.7-126.7166.5-164.10000114V505 L508 M602 T604 N614V505-S616 WeakPolarHBondContact O-CA 3.34Å; L508-S616 PolarHBondContact N-O 3.38Å; M602-S616 VanDerWaalsContact O-CB 3.29Å; M602-S616 WeakPolarHBondContact O-CB 3.5Å; M602-S616 PolarHBondContact O-OG 2.74Å; T604-S616 PolarHBondContact OG1-N 2.84Å; N614-S616 PolarHBondContact O-N 2.84Å
617I98.3Very high94Very high6 Ų626.5 Ų26.53%0.03114%0.14CC..THydrogen-bonded Turntrans-96.311.717655.575000113.2V505 L508 F532 E615 L708V505-I617 HydrophobicContact CG2-CG2 3.47Å; V505-I617 VanDerWaalsContact CG2-CG2 3.47Å; L508-I617 HydrophobicContact CD2-CB 3.84Å; L508-I617 HydrophobicContact CD2-CG2 4.01Å; F532-I617 HydrophobicContact CE2-CG2 4.25Å; F532-I617 HydrophobicContact CZ-CG2 3.72Å; E615-I617 PolarHBondContact O-N 3.38Å; I617-L708 HydrophobicContact CD1-CD1 3.8Å
618E97.6Very high93Very high26 Ų2635.4 Ų35.412%0.12117%0.173CC..PPolyproline II helixtrans-81.1148.8-174.1-59.5-167.3170.100112.3A509 N614 E615 N709A509-E618 WeakPolarHBondContact CB-O 3.42Å; N614-E618 PolarHBondContact ND2-O 2.99Å; E615-E618 WeakPolarHBondContact O-CB 3.46Å; E615-E618 PolarHBondContact O-N 2.79Å; E618-N709 WeakPolarHBondContact OE1-CB 3.35Å; E618-N709 PolarHBondContact OE1-ND2 3.44Å
619A96.9Very high91.8Very high5 Ų536.8 Ų36.84%0.04118%0.181CC..PPolyproline II helixtrans-70.9162162.400000110.5F519 N614 T621 V683 I686F519-A619 HydrophobicContact CD2-CB 3.75Å; F519-A619 HydrophobicContact CE2-CB 3.72Å; F519-A619 HydrophobicContact CG-CB 4.23Å; F519-A619 HydrophobicContact CZ-CB 4.17Å; N614-A619 PolarHBondContact ND2-O 2.77Å; A619-T621 PolarHBondContact O-N 2.93Å; A619-V683 HydrophobicContact CB-CB 4.1Å; A619-V683 HydrophobicContact CB-CG2 4.14Å; A619-I686 HydrophobicContact CB-CD1 3.55Å
620Y96.6Very high90.4Very high15 Ų1542.1 Ų42.16%0.05921%0.21CC..PPolyproline II helixtrans-62.2124.5172.9-89.2-91000110A509 D510 I513 N614 S622 T682 V683A509-Y620 HydrophobicContact CB-CD2 3.78Å; A509-Y620 HydrophobicContact CB-CE2 4.02Å; D510-Y620 WeakPolarHBondContact OD1-CE2 3.36Å; D510-Y620 PolarHBondContact OD1-OH 3.14Å; I513-Y620 HydrophobicContact CD1-CD2 3.81Å; I513-Y620 HydrophobicContact CD1-CE2 3.75Å; N614-Y620 HydrophobicContact CB-CD2 4.31Å; N614-Y620 HydrophobicContact CB-CE1 4.32Å; N614-Y620 HydrophobicContact CB-CE2 3.8Å; Y620-S622 VanDerWaalsContact C-N 3.3Å; Y620-S622 PolarHBondContact O-N 3.47Å; Y620-T682 WeakPolarHBondContact O-CA 3.39Å; Y620-V683 PolarHBondContact O-N 3.38Å
621T93.8Very high89Confident58 Ų5844.6 Ų44.636%0.35623%0.228SC..SBendtrans-71.3-29.1-179.3590000112.3A619 V683 W684A619-T621 PolarHBondContact O-N 2.93Å; T621-V683 HydrophobicContact CG2-CG1 4.21Å; T621-W684 PolarHBondContact O-NE1 3.05Å
622S94.9Very high88Confident17 Ų1745.3 Ų45.312%0.11924%0.239CC..  trans-158.5150.1171.8178.90000109.9Y620 F624 N663 G664Y620-S622 VanDerWaalsContact C-N 3.3Å; Y620-S622 PolarHBondContact O-N 3.47Å; S622-F624 VanDerWaalsContact C-N 3.26Å; S622-F624 PolarHBondContact OG-N 3.25Å; S622-F624 VanDerWaalsContact OG-N 3.11Å; S622-F624 PolarHBondContact OG-O 3.11Å; S622-N663 PolarHBondContact OG-O 3.19Å; S622-G664 WeakPolarHBondContact OG-CA 3.33Å
623N95.8Very high87.3Confident1 Ų149.4 Ų49.41%0.00525%0.25CS..SBendtrans-83.1-2.7170.5-59.2-64.6000113.4V637 N638 L641 G664 Y680N623-V637 CarbonylContact O-C 3.56Å; N623-V637 WeakPolarHBondContact O-CA 3.38Å; N623-N638 HydrophobicContact CB-CB 3.98Å; N623-N638 PolarHBondContact O-N 2.75Å; N623-N638 PolarHBondContact OD1-ND2 3.02Å; N623-L641 HydrophobicContact CB-CD2 3.61Å; N623-G664 VanDerWaalsContact CB-O 3.25Å; N623-G664 WeakPolarHBondContact CB-O 3.14Å; N623-G664 PolarHBondContact N-O 2.87Å; N623-G664 PolarHBondContact ND2-O 2.98Å; N623-G664 VanDerWaalsContact ND2-O 3.12Å; N623-Y680 PolarHBondContact ND2-O 3.38Å
624F91.6Very high86.7Confident25 Ų2549.1 Ų49.111%0.1125%0.248CC..EExtended strand (participates in β ladder)trans-138.6114.9175.3-172.6-87.9000110S622 Q635 I636 V637 L659 I660S622-F624 VanDerWaalsContact C-N 3.26Å; S622-F624 PolarHBondContact OG-N 3.25Å; S622-F624 VanDerWaalsContact OG-N 3.11Å; S622-F624 PolarHBondContact OG-O 3.11Å; F624-Q635 HydrophobicContact CE1-CB 4.41Å; F624-Q635 HydrophobicContact CE1-CG 4.21Å; F624-Q635 HydrophobicContact CE2-CB 4.2Å; F624-Q635 HydrophobicContact CZ-CB 3.66Å; F624-Q635 HydrophobicContact CZ-CG 3.73Å; F624-I636 WeakPolarHBondContact CA-O 3.41Å; F624-V637 HydrophobicContact CD2-CG2 3.97Å; F624-V637 HydrophobicContact CE2-CG2 4.25Å; F624-L659 HydrophobicContact CB-CD2 4.1Å; F624-L659 HydrophobicContact CB-CG 4.08Å; F624-L659 HydrophobicContact CD2-CD2 4.15Å; F624-I660 HydrophobicContact CD1-CG1 4.14Å; F624-I660 HydrophobicContact CD2-CG1 4.2Å; F624-I660 HydrophobicContact CE1-CD1 4.37Å; F624-I660 HydrophobicContact CE1-CG1 3.67Å; F624-I660 HydrophobicContact CE2-CD1 4.13Å; F624-I660 HydrophobicContact CE2-CG1 3.73Å; F624-I660 HydrophobicContact CG-CG1 4.38Å; F624-I660 HydrophobicContact CZ-CD1 3.76Å; F624-I660 HydrophobicContact CZ-CG1 3.43Å; F624-I660 VanDerWaalsContact CZ-CG1 3.43Å
625Y87.6Confident86.2Confident59 Ų5952.1 Ų52.123%0.23126%0.262CS..EExtended strand (participates in β ladder)trans-142.6156.6-175.655.6-91.6000112.2R627 I636Y625-R627 HydrophobicContact CD2-CG 4.09Å; Y625-R627 HydrophobicContact CE2-CG 4.02Å; Y625-I636 HydrophobicContact CD2-CB 4.07Å; Y625-I636 HydrophobicContact CD2-CD1 4.48Å; Y625-I636 HydrophobicContact CE1-CG2 4.28Å; Y625-I636 HydrophobicContact CE2-CB 3.73Å; Y625-I636 HydrophobicContact CE2-CD1 3.88Å; Y625-I636 HydrophobicContact CE2-CG1 4.38Å; Y625-I636 HydrophobicContact CE2-CG2 3.74Å; Y625-I636 PolarHBondContact N-O 2.86Å; Y625-I636 PolarHBondContact O-N 3.24Å
626T84.1Confident85.7Confident69 Ų6950.1 Ų50.142%0.42325%0.253SS..EExtended strand (participates in β ladder)trans-101130.3179-56.20000110E633 F634T626-E633 HydrophobicContact CG2-CB 3.67Å; T626-E633 HydrophobicContact CG2-CG 4.4Å; T626-F634 CarbonylContact C-O 3.38Å; T626-F634 WeakPolarHBondContact CA-O 3.46Å
627R79.9Confident85.4Confident76 Ų7650.1 Ų50.129%0.28725%0.252SS..EExtended strand (participates in β ladder)trans-108131.6170-73.2-69.6-178162.4-5.6110.5F146 Q609 Y625 F634 I636F146-R627 HydrophobicContact CD1-CB 4.08Å; F146-R627 HydrophobicContact CE1-CB 4.04Å; Q609-R627 VanDerWaalsContact OE1-NH1 3.12Å; Y625-R627 HydrophobicContact CD2-CG 4.09Å; Y625-R627 HydrophobicContact CE2-CG 4.02Å; R627-F634 PolarHBondContact N-O 3.49Å; R627-F634 PolarHBondContact O-N 3.46Å; R627-I636 HydrophobicContact CB-CD1 3.73Å; R627-I636 HydrophobicContact CG-CD1 3.32Å; R627-I636 HydrophobicContact CG-CG1 4.42Å
628R74.8Confident85.2Confident194 Ų19449.8 Ų49.873%0.73225%0.251SS*.EExtended strand (participates in β ladder)trans-92.4126.9174.1-63-172.8168.3169-4.6110.2E633R628-E633 HydrophobicContact CG-CG 4.1Å; R628-E633 IonicContact CZ-OE1 2.74Å; R628-E633 IonicContact NE-OE1 3.76Å; R628-E633 PolarHBondContact NE-OE1 3.11Å; R628-E633 IonicContact NH2-OE1 3.92Å; R628-E633 PolarHBondContact NH2-OE1 2.7Å
629V70.8Confident84.9Confident28 Ų2850.9 Ų50.917%0.1726%0.26CS..EExtended strand (participates in β ladder)trans-121.9172.8164.5-62.40000108.7F146 S631 G632 F634F146-V629 HydrophobicContact CD1-CG1 3.89Å; F146-V629 HydrophobicContact CE1-CG1 4.23Å; V629-S631 PolarHBondContact O-N 3.26Å; V629-S631 VanDerWaalsContact O-N 3.16Å; V629-G632 PolarHBondContact N-O 3.22Å; V629-G632 PolarHBondContact O-N 2.88Å; V629-G632 VanDerWaalsContact O-N 3.09Å; V629-G632 VanDerWaalsContact O-O 3.08Å; V629-F634 HydrophobicContact CG2-CD2 3.56Å; V629-F634 HydrophobicContact CG2-CE2 3.2Å; V629-F634 HydrophobicContact CG2-CZ 4.25Å
630L63.3Low84.8Confident156 Ų15652.5 Ų52.582%0.81727%0.266SS*.THydrogen-bonded Turntrans-58.5-30.6-177.1-71.5170.9000113.2
631S65.4Low84.8Confident57 Ų5751.8 Ų51.840%0.39926%0.264SS..THydrogen-bonded Turntrans-86.8-4.3179.942.30000115.2E62 V629E62-S631 VanDerWaalsContact CD-OG 3.28Å; E62-S631 WeakPolarHBondContact OE1-CB 3.36Å; E62-S631 PolarHBondContact OE1-OG 2.83Å; V629-S631 PolarHBondContact O-N 3.26Å; V629-S631 VanDerWaalsContact O-N 3.16Å
632G75.1Confident84.8Confident31 Ų3149 Ų4932%0.3225%0.247SC..EExtended strand (participates in β ladder)trans146.3-166.4174.900000114.9V629V629-G632 PolarHBondContact N-O 3.22Å; V629-G632 PolarHBondContact O-N 2.88Å; V629-G632 VanDerWaalsContact O-N 3.09Å; V629-G632 VanDerWaalsContact O-O 3.08Å
633E79.9Confident84.6Confident115 Ų11553.3 Ų53.354%0.53726%0.263SS..EExtended strand (participates in β ladder)trans-100.9129.5178-54.2-158.815500110.4T626 R628T626-E633 HydrophobicContact CG2-CB 3.67Å; T626-E633 HydrophobicContact CG2-CG 4.4Å; R628-E633 HydrophobicContact CG-CG 4.1Å; R628-E633 IonicContact CZ-OE1 2.74Å; R628-E633 IonicContact NE-OE1 3.76Å; R628-E633 PolarHBondContact NE-OE1 3.11Å; R628-E633 IonicContact NH2-OE1 3.92Å; R628-E633 PolarHBondContact NH2-OE1 2.7Å
634F83.6Confident84.6Confident14 Ų1453.5 Ų53.56%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-116.3127.7-179.3-69.5-100.2000109.7A65 T66 F146 T626 R627 V629A65-F634 HydrophobicContact CB-CD1 3.88Å; A65-F634 HydrophobicContact CB-CE1 3.61Å; A65-F634 HydrophobicContact CB-CZ 4.49Å; T66-F634 HydrophobicContact CG2-CD1 4.13Å; T66-F634 HydrophobicContact CG2-CE1 3.64Å; F146-F634 HydrophobicContact CE1-CB 3.78Å; F146-F634 HydrophobicContact CE1-CD2 4.24Å; F146-F634 AromaticContact CE1-CG 3.97Å; F146-F634 HydrophobicContact CE1-CG 3.97Å; F146-F634 HydrophobicContact CZ-CB 3.67Å; F146-F634 HydrophobicContact CZ-CD1 4.45Å; F146-F634 HydrophobicContact CZ-CG 4.06Å; T626-F634 CarbonylContact C-O 3.38Å; T626-F634 WeakPolarHBondContact CA-O 3.46Å; R627-F634 PolarHBondContact N-O 3.49Å; R627-F634 PolarHBondContact O-N 3.46Å; V629-F634 HydrophobicContact CG2-CD2 3.56Å; V629-F634 HydrophobicContact CG2-CE2 3.2Å; V629-F634 HydrophobicContact CG2-CZ 4.25Å
635Q85.3Confident84.8Confident86 Ų8652.3 Ų52.340%0.40226%0.259SS..EExtended strand (participates in β ladder)trans-78.1130171.8-68.7178.8-13.700109.6T69 F624T69-Q635 HydrophobicContact CG2-CB 3.89Å; T69-Q635 WeakPolarHBondContact CG2-O 3.48Å; F624-Q635 HydrophobicContact CE1-CB 4.41Å; F624-Q635 HydrophobicContact CE1-CG 4.21Å; F624-Q635 HydrophobicContact CE2-CB 4.2Å; F624-Q635 HydrophobicContact CZ-CB 3.66Å; F624-Q635 HydrophobicContact CZ-CG 3.73Å
636I87.1Confident84.9Confident12 Ų1250.1 Ų50.16%0.06225%0.252CS..EExtended strand (participates in β ladder)trans-127.4129.9-179-57.3179.5000108.4F146 F624 Y625 R627F146-I636 HydrophobicContact CD1-CD1 4.43Å; F146-I636 HydrophobicContact CD2-CD1 3.59Å; F146-I636 HydrophobicContact CE1-CD1 4.1Å; F146-I636 HydrophobicContact CE2-CD1 3.19Å; F146-I636 HydrophobicContact CE2-CG1 3.83Å; F146-I636 HydrophobicContact CG-CD1 4.21Å; F146-I636 HydrophobicContact CZ-CD1 3.48Å; F146-I636 VanDerWaalsContact CZ-CD1 3.48Å; F146-I636 HydrophobicContact CZ-CG1 3.92Å; F624-I636 WeakPolarHBondContact CA-O 3.41Å; Y625-I636 HydrophobicContact CD2-CB 4.07Å; Y625-I636 HydrophobicContact CD2-CD1 4.48Å; Y625-I636 HydrophobicContact CE1-CG2 4.28Å; Y625-I636 HydrophobicContact CE2-CB 3.73Å; Y625-I636 HydrophobicContact CE2-CD1 3.88Å; Y625-I636 HydrophobicContact CE2-CG1 4.38Å; Y625-I636 HydrophobicContact CE2-CG2 3.74Å; Y625-I636 PolarHBondContact N-O 2.86Å; Y625-I636 PolarHBondContact O-N 3.24Å; R627-I636 HydrophobicContact CB-CD1 3.73Å; R627-I636 HydrophobicContact CG-CD1 3.32Å; R627-I636 HydrophobicContact CG-CG1 4.42Å
637V90.6Very high85.2Confident2 Ų253 Ų531%0.01226%0.26CS..EExtended strand (participates in β ladder)trans-92146.5166.9-172.50000107.6N623 F624 P639 L642 W651 L659N623-V637 CarbonylContact O-C 3.56Å; N623-V637 WeakPolarHBondContact O-CA 3.38Å; F624-V637 HydrophobicContact CD2-CG2 3.97Å; F624-V637 HydrophobicContact CE2-CG2 4.25Å; V637-P639 WeakPolarHBondContact O-CD 3.35Å; V637-L642 HydrophobicContact CB-CB 4.22Å; V637-L642 HydrophobicContact CB-CD2 4.24Å; V637-L642 HydrophobicContact CG1-CB 3.94Å; V637-W651 HydrophobicContact CG1-CH2 4.36Å; V637-W651 HydrophobicContact CG2-CH2 3.81Å; V637-W651 HydrophobicContact CG2-CZ2 4.13Å; V637-L659 HydrophobicContact CG1-CD2 3.86Å; V637-L659 HydrophobicContact CG2-CD2 4.48Å
638N93.9Very high85.9Confident0 Ų054.4 Ų54.40%027%0.266CS..  trans-48.8118.5169.1177.8-20.3000108.9N623 H640 L641 L642N623-N638 HydrophobicContact CB-CB 3.98Å; N623-N638 PolarHBondContact O-N 2.75Å; N623-N638 PolarHBondContact OD1-ND2 3.02Å; N638-H640 PolarHBondContact O-N 3.28Å; N638-H640 PolarHBondContact OD1-CD2 3.07Å; N638-H640 PolarHBondContact OD1-N 2.93Å; N638-H640 VanDerWaalsContact OD1-N 3.08Å; N638-L641 HydrophobicContact CB-CB 4.04Å; N638-L641 PolarHBondContact O-N 3.24Å; N638-L642 WeakPolarHBondContact O-CB 3.25Å; N638-L642 PolarHBondContact O-N 3.15Å
639P91.9Very high86.8Confident48 Ų4848.3 Ų48.331%0.31226%0.263SS..Hα-helixtrans-63.2-31.1-170.224.5-34.4000112.4P72 V637 K643P72-P639 HydrophobicContact CB-CB 4.19Å; V637-P639 WeakPolarHBondContact O-CD 3.35Å; P639-K643 WeakPolarHBondContact O-CB 3.35Å; P639-K643 PolarHBondContact O-N 2.94Å; P639-K643 VanDerWaalsContact O-N 3.11Å
640H94.8Very high87.9Confident39 Ų3948.9 Ų48.918%0.18127%0.265CS..Hα-helixtrans-71.4-47178-52.1-67.9000111.3D510 I513 N638 L642 K643 D644 Y680D510-H640 IonicContact OD1-CD2 3.87Å; D510-H640 IonicContact OD1-CE1 2.71Å; D510-H640 IonicContact OD1-NE2 2.99Å; D510-H640 PolarHBondContact OD1-NE2 3.16Å; I513-H640 HydrophobicContact CG2-CB 3.54Å; N638-H640 PolarHBondContact O-N 3.28Å; N638-H640 PolarHBondContact OD1-CD2 3.07Å; N638-H640 PolarHBondContact OD1-N 2.93Å; N638-H640 VanDerWaalsContact OD1-N 3.08Å; H640-L642 VanDerWaalsContact C-N 3.35Å; H640-L642 PolarHBondContact O-N 3.14Å; H640-K643 PolarHBondContact O-N 2.77Å; H640-D644 PolarHBondContact O-N 3.1Å; H640-Y680 HydrophobicContact CB-CE1 3.9Å; H640-Y680 WeakPolarHBondContact CB-OH 3.11Å; H640-Y680 PolarHBondContact O-OH 2.61Å
641L96.4Very high89.4Confident0 Ų043.4 Ų43.40%023%0.234CC..Hα-helixtrans-59.7-47.6175.9173.865.1000110.8N623 N638 K643 D644 L645 I666 Y680N623-L641 HydrophobicContact CB-CD2 3.61Å; N638-L641 HydrophobicContact CB-CB 4.04Å; N638-L641 PolarHBondContact O-N 3.24Å; L641-K643 VanDerWaalsContact C-N 3.27Å; L641-K643 PolarHBondContact O-N 3.43Å; L641-D644 PolarHBondContact O-N 3.26Å; L641-L645 HydrophobicContact CD1-CD1 3.84Å; L641-L645 HydrophobicContact CD1-CD2 4.3Å; L641-L645 HydrophobicContact CD1-CG 3.84Å; L641-L645 HydrophobicContact CD2-CD1 4.36Å; L641-L645 HydrophobicContact CG-CD1 3.82Å; L641-L645 HydrophobicContact CG-CG 4.19Å; L641-L645 WeakPolarHBondContact O-CG 3.06Å; L641-L645 PolarHBondContact O-N 2.81Å; L641-I666 HydrophobicContact CD1-CD1 3.95Å; L641-I666 HydrophobicContact CD2-CG2 3.87Å; L641-Y680 HydrophobicContact CB-CD1 3.97Å; L641-Y680 HydrophobicContact CB-CD2 4.26Å; L641-Y680 HydrophobicContact CB-CE1 3.89Å; L641-Y680 HydrophobicContact CB-CE2 4.16Å; L641-Y680 HydrophobicContact CB-CG 4.16Å; L641-Y680 HydrophobicContact CD1-CD2 3.5Å; L641-Y680 VanDerWaalsContact CD1-CD2 3.5Å; L641-Y680 HydrophobicContact CD1-CE2 3.79Å; L641-Y680 HydrophobicContact CD1-CG 3.94Å; L641-Y680 HydrophobicContact CG-CD2 4.45Å; L641-Y680 PolarHBondContact N-OH 2.93Å
642L93.9Very high90.5Very high1 Ų144.5 Ų44.51%0.00524%0.235CC..Hα-helixtrans-58.8-43.8-179.3-178.256.9000110.8T68 P72 V637 N638 H640 L645 T646 W651T68-L642 WeakPolarHBondContact O-CD2 3.11Å; P72-L642 HydrophobicContact CB-CD2 4.5Å; V637-L642 HydrophobicContact CB-CB 4.22Å; V637-L642 HydrophobicContact CB-CD2 4.24Å; V637-L642 HydrophobicContact CG1-CB 3.94Å; N638-L642 WeakPolarHBondContact O-CB 3.25Å; N638-L642 PolarHBondContact O-N 3.15Å; H640-L642 VanDerWaalsContact C-N 3.35Å; H640-L642 PolarHBondContact O-N 3.14Å; L642-L645 PolarHBondContact O-N 2.97Å; L642-T646 HydrophobicContact CD1-CG2 4.23Å; L642-T646 VanDerWaalsContact O-CG2 3.29Å; L642-T646 WeakPolarHBondContact O-CG2 3.38Å; L642-T646 PolarHBondContact O-N 3.32Å; L642-T646 PolarHBondContact O-OG1 3.04Å; L642-T646 VanDerWaalsContact O-OG1 3.05Å; L642-W651 HydrophobicContact CD1-CD2 3.32Å; L642-W651 HydrophobicContact CD1-CE3 3.79Å; L642-W651 HydrophobicContact CD1-CG 3.74Å; L642-W651 HydrophobicContact CD1-CH2 4.02Å; L642-W651 HydrophobicContact CD1-CZ2 3.59Å; L642-W651 HydrophobicContact CD1-CZ3 4.11Å
643K91.4Very high91.1Very high106 Ų10647.9 Ų47.946%0.46124%0.243SC..Hα-helixtrans-59.3-50.6175.6-175.9174174.9177.50111.6P639 H640 L641 L645 T646 E647P639-K643 WeakPolarHBondContact O-CB 3.35Å; P639-K643 PolarHBondContact O-N 2.94Å; P639-K643 VanDerWaalsContact O-N 3.11Å; H640-K643 PolarHBondContact O-N 2.77Å; L641-K643 VanDerWaalsContact C-N 3.27Å; L641-K643 PolarHBondContact O-N 3.43Å; K643-L645 PolarHBondContact O-N 3.26Å; K643-T646 WeakPolarHBondContact CA-OG1 3.24Å; K643-T646 PolarHBondContact O-N 3.5Å; K643-T646 PolarHBondContact O-OG1 3Å; K643-E647 WeakPolarHBondContact CE-OE1 3.24Å; K643-E647 HydrophobicContact CG-CG 4.39Å; K643-E647 WeakPolarHBondContact CG-OE1 3.46Å; K643-E647 IonicContact NZ-OE1 2.71Å; K643-E647 WeakPolarHBondContact O-CB 3.27Å; K643-E647 WeakPolarHBondContact O-CG 3.3Å; K643-E647 PolarHBondContact O-N 3.31Å
644D95Very high91.6Very high5 Ų547.7 Ų47.73%0.02725%0.245CC..Hα-helixtrans-61.1-41.8178.8-73.4-25.8000113R516 H640 L641 T646 E647 R648 L676 Y680R516-D644 IonicContact CZ-OD1 2.69Å; R516-D644 IonicContact CZ-OD2 3.16Å; R516-D644 VanDerWaalsContact NH1-CG 3.25Å; R516-D644 IonicContact NH1-OD1 3.37Å; R516-D644 PolarHBondContact NH1-OD1 3.35Å; R516-D644 IonicContact NH1-OD2 3.73Å; R516-D644 PolarHBondContact NH1-OD2 2.95Å; R516-D644 IonicContact NH2-OD1 3.97Å; R516-D644 PolarHBondContact NH2-OD1 2.68Å; R516-D644 IonicContact NH2-OD2 3.55Å; H640-D644 PolarHBondContact O-N 3.1Å; L641-D644 PolarHBondContact O-N 3.26Å; D644-T646 VanDerWaalsContact C-N 3.34Å; D644-E647 PolarHBondContact O-N 3.44Å; D644-R648 WeakPolarHBondContact O-CB 3.33Å; D644-R648 VanDerWaalsContact O-CG 3.31Å; D644-R648 WeakPolarHBondContact O-CG 3.44Å; D644-R648 PolarHBondContact O-N 2.72Å; D644-L676 HydrophobicContact CB-CD1 4.21Å; D644-L676 HydrophobicContact CB-CD2 4.19Å; D644-Y680 VanDerWaalsContact OD2-CE2 3.23Å; D644-Y680 WeakPolarHBondContact OD2-CE2 3.23Å; D644-Y680 VanDerWaalsContact OD2-CZ 3.29Å; D644-Y680 PolarHBondContact OD2-OH 2.8Å
645L95.3Very high92Very high1 Ų147.3 Ų47.31%0.00524%0.244CC..Hα-helixtrans-65.6-38.6177.4-67178000111.4L641 L642 K643 G649 L650 W651 M655 I672 L676L641-L645 HydrophobicContact CD1-CD1 3.84Å; L641-L645 HydrophobicContact CD1-CD2 4.3Å; L641-L645 HydrophobicContact CD1-CG 3.84Å; L641-L645 HydrophobicContact CD2-CD1 4.36Å; L641-L645 HydrophobicContact CG-CD1 3.82Å; L641-L645 HydrophobicContact CG-CG 4.19Å; L641-L645 WeakPolarHBondContact O-CG 3.06Å; L641-L645 PolarHBondContact O-N 2.81Å; L642-L645 PolarHBondContact O-N 2.97Å; K643-L645 PolarHBondContact O-N 3.26Å; L645-G649 PolarHBondContact O-N 2.97Å; L645-L650 HydrophobicContact CB-CB 4.48Å; L645-L650 HydrophobicContact CD2-CB 4.09Å; L645-L650 HydrophobicContact CD2-CD1 4.06Å; L645-L650 PolarHBondContact O-N 3.47Å; L645-W651 HydrophobicContact CB-CB 4.12Å; L645-W651 HydrophobicContact CB-CE3 4.22Å; L645-W651 HydrophobicContact CD1-CE3 3.69Å; L645-W651 HydrophobicContact CD1-CZ3 3.94Å; L645-W651 PolarHBondContact O-N 3.33Å; L645-M655 HydrophobicContact CD1-CG 4.31Å; L645-I672 HydrophobicContact CD2-CD1 4.01Å; L645-I672 HydrophobicContact CD2-CG1 4.01Å; L645-L676 HydrophobicContact CD2-CD1 4.18Å
646T91.3Very high92.2Very high12 Ų1244.4 Ų44.47%0.07423%0.23CC..Hα-helixtrans-68-43.7175.653.40000112.3L642 K643 D644 R648 G649 W651L642-T646 HydrophobicContact CD1-CG2 4.23Å; L642-T646 VanDerWaalsContact O-CG2 3.29Å; L642-T646 WeakPolarHBondContact O-CG2 3.38Å; L642-T646 PolarHBondContact O-N 3.32Å; L642-T646 PolarHBondContact O-OG1 3.04Å; L642-T646 VanDerWaalsContact O-OG1 3.05Å; K643-T646 WeakPolarHBondContact CA-OG1 3.24Å; K643-T646 PolarHBondContact O-N 3.5Å; K643-T646 PolarHBondContact O-OG1 3Å; D644-T646 VanDerWaalsContact C-N 3.34Å; T646-R648 VanDerWaalsContact C-N 3.27Å; T646-R648 PolarHBondContact O-N 3.14Å; T646-G649 PolarHBondContact O-N 3.29Å; T646-W651 HydrophobicContact CG2-CB 3.62Å; T646-W651 HydrophobicContact CG2-CG 3.87Å
647E90.6Very high92.3Very high129 Ų12947.1 Ų47.160%0.60325%0.245SC*.Hα-helixtrans-65.7-30.5179.1-73.3177.3178.700112.3K643 D644 G649K643-E647 WeakPolarHBondContact CE-OE1 3.24Å; K643-E647 HydrophobicContact CG-CG 4.39Å; K643-E647 WeakPolarHBondContact CG-OE1 3.46Å; K643-E647 IonicContact NZ-OE1 2.71Å; K643-E647 WeakPolarHBondContact O-CB 3.27Å; K643-E647 WeakPolarHBondContact O-CG 3.3Å; K643-E647 PolarHBondContact O-N 3.31Å; D644-E647 PolarHBondContact O-N 3.44Å; E647-G649 VanDerWaalsContact C-N 3.32Å
648R93.4Very high92.4Very high106 Ų10650.2 Ų50.240%0.426%0.259SS..THydrogen-bonded Turntrans-85.90.7173.9-64.9-176.6-166.6-1563.3113.8D644 T646 L650 D675 L676D644-R648 WeakPolarHBondContact O-CB 3.33Å; D644-R648 VanDerWaalsContact O-CG 3.31Å; D644-R648 WeakPolarHBondContact O-CG 3.44Å; D644-R648 PolarHBondContact O-N 2.72Å; T646-R648 VanDerWaalsContact C-N 3.27Å; T646-R648 PolarHBondContact O-N 3.14Å; R648-L650 HydrophobicContact CB-CD1 3.98Å; R648-L650 HydrophobicContact CB-CG 3.94Å; R648-L650 PolarHBondContact O-N 3.46Å; R648-D675 IonicContact CZ-OD1 3.93Å; R648-D675 IonicContact CZ-OD2 3.71Å; R648-D675 IonicContact NH1-OD1 3.91Å; R648-D675 PolarHBondContact NH1-OD1 3.35Å; R648-D675 IonicContact NH1-OD2 3.45Å; R648-D675 PolarHBondContact NH1-OD2 2.96Å; R648-D675 IonicContact NH2-OD2 2.97Å; R648-D675 PolarHBondContact NH2-OD2 3.31Å; R648-L676 VanDerWaalsContact NH2-CD2 3.29Å
649G93.5Very high92.2Very high66 Ų6650.3 Ų50.368%0.6826%0.259SS*.THydrogen-bonded Turntrans67.120.8-178.300000114.4L645 T646 E647L645-G649 PolarHBondContact O-N 2.97Å; T646-G649 PolarHBondContact O-N 3.29Å; E647-G649 VanDerWaalsContact C-N 3.32Å
650L94.4Very high92.1Very high40 Ų4049 Ų4921%0.20925%0.249CC..  trans-92.5-17.4-178.5-61176.7000112.9L645 R648 N652L645-L650 HydrophobicContact CB-CB 4.48Å; L645-L650 HydrophobicContact CD2-CB 4.09Å; L645-L650 HydrophobicContact CD2-CD1 4.06Å; L645-L650 PolarHBondContact O-N 3.47Å; R648-L650 HydrophobicContact CB-CD1 3.98Å; R648-L650 HydrophobicContact CB-CG 3.94Å; R648-L650 PolarHBondContact O-N 3.46Å; L650-N652 PolarHBondContact O-N 2.97Å
651W93.8Very high91.7Very high41 Ų4149 Ų4916%0.15526%0.257CS..  trans-78.9121-176.3-170.3-111.2000112.9T69 K70 V637 L642 L645 T646 M655 K656 L659T69-W651 WeakPolarHBondContact O-CZ2 3.43Å; T69-W651 PolarHBondContact O-NE1 3.46Å; T69-W651 VanDerWaalsContact O-NE1 3.15Å; K70-W651 PolarHBondContact O-NE1 3.35Å; V637-W651 HydrophobicContact CG1-CH2 4.36Å; V637-W651 HydrophobicContact CG2-CH2 3.81Å; V637-W651 HydrophobicContact CG2-CZ2 4.13Å; L642-W651 HydrophobicContact CD1-CD2 3.32Å; L642-W651 HydrophobicContact CD1-CE3 3.79Å; L642-W651 HydrophobicContact CD1-CG 3.74Å; L642-W651 HydrophobicContact CD1-CH2 4.02Å; L642-W651 HydrophobicContact CD1-CZ2 3.59Å; L642-W651 HydrophobicContact CD1-CZ3 4.11Å; L645-W651 HydrophobicContact CB-CB 4.12Å; L645-W651 HydrophobicContact CB-CE3 4.22Å; L645-W651 HydrophobicContact CD1-CE3 3.69Å; L645-W651 HydrophobicContact CD1-CZ3 3.94Å; L645-W651 PolarHBondContact O-N 3.33Å; T646-W651 HydrophobicContact CG2-CB 3.62Å; T646-W651 HydrophobicContact CG2-CG 3.87Å; W651-M655 HydrophobicContact CE3-CB 4.37Å; W651-M655 HydrophobicContact CE3-CG 3.76Å; W651-M655 HydrophobicContact CZ3-CG 3.95Å; W651-K656 HydrophobicContact CH2-CB 3.71Å; W651-K656 HydrophobicContact CH2-CG 4.09Å; W651-K656 HydrophobicContact CZ2-CB 3.75Å; W651-K656 HydrophobicContact CZ2-CD 4.36Å; W651-K656 HydrophobicContact CZ2-CG 4.08Å; W651-K656 HydrophobicContact CZ3-CB 4.49Å; W651-L659 HydrophobicContact CH2-CD2 4.41Å; W651-L659 HydrophobicContact CZ3-CD2 4.41Å
652N89.6Confident91.4Very high81 Ų8152.7 Ų52.743%0.43327%0.274SS..SBendtrans-151.9177.3172.360.646.5000110.3L650 D654 M655 K656L650-N652 PolarHBondContact O-N 2.97Å; N652-D654 VanDerWaalsContact C-N 3.27Å; N652-D654 PolarHBondContact O-N 2.73Å; N652-D654 WeakPolarHBondContact OD1-CA 3.42Å; N652-D654 WeakPolarHBondContact OD1-CB 3.42Å; N652-D654 PolarHBondContact OD1-N 2.99Å; N652-M655 PolarHBondContact O-N 2.75Å; N652-M655 PolarHBondContact OD1-N 2.93Å; N652-K656 PolarHBondContact O-N 3.5Å
653E87Confident91.1Very high102 Ų10256 Ų5648%0.47729%0.292SS..Hα-helixtrans-63.8-31-179.9-70.4-66.6154.200112.7K656 N657E653-K656 PolarHBondContact O-N 3.13Å; E653-N657 PolarHBondContact O-N 3.29Å; E653-N657 PolarHBondContact O-ND2 3.13Å; E653-N657 VanDerWaalsContact O-ND2 3.08Å
654D90.9Very high91.2Very high111 Ų11151 Ų5159%0.59427%0.27SS*.Hα-helixtrans-68.7-45.6176.3-68.5-27000111.1N652 K656 N657 Q658N652-D654 VanDerWaalsContact C-N 3.27Å; N652-D654 PolarHBondContact O-N 2.73Å; N652-D654 WeakPolarHBondContact OD1-CA 3.42Å; N652-D654 WeakPolarHBondContact OD1-CB 3.42Å; N652-D654 PolarHBondContact OD1-N 2.99Å; D654-K656 VanDerWaalsContact C-N 3.3Å; D654-K656 PolarHBondContact O-N 3.11Å; D654-N657 PolarHBondContact O-N 2.99Å; D654-N657 VanDerWaalsContact O-N 3.08Å; D654-Q658 WeakPolarHBondContact O-CG 3.47Å; D654-Q658 PolarHBondContact O-N 3.41Å
655M92.8Very high91.2Very high6 Ų651.5 Ų51.53%0.0327%0.274CS..Hα-helixtrans-56.7-43.4173.7-179.957.666.200111.3L645 W651 N652 Q658 L659 I669 E671 I672L645-M655 HydrophobicContact CD1-CG 4.31Å; W651-M655 HydrophobicContact CE3-CB 4.37Å; W651-M655 HydrophobicContact CE3-CG 3.76Å; W651-M655 HydrophobicContact CZ3-CG 3.95Å; N652-M655 PolarHBondContact O-N 2.75Å; N652-M655 PolarHBondContact OD1-N 2.93Å; M655-Q658 PolarHBondContact O-N 3.17Å; M655-L659 WeakPolarHBondContact O-CB 3.39Å; M655-L659 PolarHBondContact O-N 2.84Å; M655-I669 HydrophobicContact CE-CG2 3.76Å; M655-I669 HydrophobicContact SD-CD1 4.09Å; M655-I669 HydrophobicContact SD-CG2 3.85Å; M655-E671 HydrophobicContact CE-CB 4.17Å; M655-I672 HydrophobicContact CE-CD1 4.29Å; M655-I672 HydrophobicContact CE-CG1 3.99Å; M655-I672 HydrophobicContact SD-CD1 3.83Å; M655-I672 HydrophobicContact SD-CG1 4.21Å
656K89.6Confident91.3Very high24 Ų2451.5 Ų51.510%0.10427%0.273CS..Hα-helixtrans-60.4-45.7173.9179.9-175.9167.3-173.90111.7T69 W651 N652 E653 D654 L659 I660T69-K656 PolarHBondContact OG1-NZ 3.43Å; W651-K656 HydrophobicContact CH2-CB 3.71Å; W651-K656 HydrophobicContact CH2-CG 4.09Å; W651-K656 HydrophobicContact CZ2-CB 3.75Å; W651-K656 HydrophobicContact CZ2-CD 4.36Å; W651-K656 HydrophobicContact CZ2-CG 4.08Å; W651-K656 HydrophobicContact CZ3-CB 4.49Å; N652-K656 PolarHBondContact O-N 3.5Å; E653-K656 PolarHBondContact O-N 3.13Å; D654-K656 VanDerWaalsContact C-N 3.3Å; D654-K656 PolarHBondContact O-N 3.11Å; K656-L659 PolarHBondContact O-N 2.68Å; K656-I660 HydrophobicContact CG-CD1 4.12Å; K656-I660 VanDerWaalsContact O-CG1 3.29Å; K656-I660 WeakPolarHBondContact O-CG1 3.36Å; K656-I660 PolarHBondContact O-N 3Å
657N89Confident91.5Very high70 Ų7052.9 Ų52.937%0.37428%0.279SS..Hα-helixtrans-65.8-38.2179.2-71.4-33.9000112.2E653 D654 I660 A661E653-N657 PolarHBondContact O-N 3.29Å; E653-N657 PolarHBondContact O-ND2 3.13Å; E653-N657 VanDerWaalsContact O-ND2 3.08Å; D654-N657 PolarHBondContact O-N 2.99Å; D654-N657 VanDerWaalsContact O-N 3.08Å; N657-I660 PolarHBondContact O-N 2.83Å; N657-A661 WeakPolarHBondContact O-CB 3.4Å; N657-A661 PolarHBondContact O-N 2.83Å
658Q91.6Very high91.7Very high67 Ų6752.3 Ų52.331%0.31328%0.28SS..Hα-helixtrans-62.8-46.2173-69.5-170.936.300111.2D654 M655 I660 A661 Q662 I669D654-Q658 WeakPolarHBondContact O-CG 3.47Å; D654-Q658 PolarHBondContact O-N 3.41Å; M655-Q658 PolarHBondContact O-N 3.17Å; Q658-I660 VanDerWaalsContact C-N 3.29Å; Q658-I660 PolarHBondContact O-N 3.37Å; Q658-A661 PolarHBondContact O-N 3.16Å; Q658-A661 VanDerWaalsContact O-N 3.15Å; Q658-Q662 WeakPolarHBondContact O-CG 3.47Å; Q658-Q662 PolarHBondContact O-N 3.37Å; Q658-I669 HydrophobicContact CB-CD1 4.11Å; Q658-I669 HydrophobicContact CB-CG1 4.47Å
659L90.8Very high91.7Very high2 Ų247.3 Ų47.31%0.0126%0.261CS..Hα-helixtrans-59.3-40.3176.8-173.767.8000111.9F624 V637 W651 M655 K656 Q662 N663 G664 I666F624-L659 HydrophobicContact CB-CD2 4.1Å; F624-L659 HydrophobicContact CB-CG 4.08Å; F624-L659 HydrophobicContact CD2-CD2 4.15Å; V637-L659 HydrophobicContact CG1-CD2 3.86Å; V637-L659 HydrophobicContact CG2-CD2 4.48Å; W651-L659 HydrophobicContact CH2-CD2 4.41Å; W651-L659 HydrophobicContact CZ3-CD2 4.41Å; M655-L659 WeakPolarHBondContact O-CB 3.39Å; M655-L659 PolarHBondContact O-N 2.84Å; K656-L659 PolarHBondContact O-N 2.68Å; L659-Q662 CarbonylContact O-C 3.56Å; L659-Q662 PolarHBondContact O-N 2.63Å; L659-N663 PolarHBondContact O-N 3.21Å; L659-G664 PolarHBondContact O-N 3.42Å; L659-I666 HydrophobicContact CD1-CG2 3.53Å
660I88Confident91.7Very high20 Ų2052.8 Ų52.810%0.10327%0.269CS..Hα-helixtrans-62.2-51174.5-69.6165.5000110.3F624 K656 N657 Q658 Q662 N663 Q749 T751F624-I660 HydrophobicContact CD1-CG1 4.14Å; F624-I660 HydrophobicContact CD2-CG1 4.2Å; F624-I660 HydrophobicContact CE1-CD1 4.37Å; F624-I660 HydrophobicContact CE1-CG1 3.67Å; F624-I660 HydrophobicContact CE2-CD1 4.13Å; F624-I660 HydrophobicContact CE2-CG1 3.73Å; F624-I660 HydrophobicContact CG-CG1 4.38Å; F624-I660 HydrophobicContact CZ-CD1 3.76Å; F624-I660 HydrophobicContact CZ-CG1 3.43Å; F624-I660 VanDerWaalsContact CZ-CG1 3.43Å; K656-I660 HydrophobicContact CG-CD1 4.12Å; K656-I660 VanDerWaalsContact O-CG1 3.29Å; K656-I660 WeakPolarHBondContact O-CG1 3.36Å; K656-I660 PolarHBondContact O-N 3Å; N657-I660 PolarHBondContact O-N 2.83Å; Q658-I660 VanDerWaalsContact C-N 3.29Å; Q658-I660 PolarHBondContact O-N 3.37Å; I660-Q662 PolarHBondContact O-N 3.34Å; I660-N663 WeakPolarHBondContact O-CA 3.32Å; I660-N663 PolarHBondContact O-N 3.1Å; I660-Q749 PolarHBondContact O-NE2 3.35Å; I660-Q749 PolarHBondContact O-OE1 2.77Å; I660-T751 HydrophobicContact CG2-CG2 3.96Å
661A87.8Confident91.7Very high40 Ų4055.8 Ų55.833%0.33128%0.282SS..Hα-helixtrans-58-35.8-179.600000112.2N657 Q658 N663N657-A661 WeakPolarHBondContact O-CB 3.4Å; N657-A661 PolarHBondContact O-N 2.83Å; Q658-A661 PolarHBondContact O-N 3.16Å; Q658-A661 VanDerWaalsContact O-N 3.15Å; A661-N663 VanDerWaalsContact C-N 3.26Å; A661-N663 PolarHBondContact O-N 3.34Å; A661-N663 PolarHBondContact O-ND2 2.85Å
662Q89.8Confident91.8Very high77 Ų7754 Ų5436%0.3628%0.276SS..THydrogen-bonded Turntrans-86.312.7176.2-60.7-63.23.700113.9Q658 L659 I660 G664 S665Q658-Q662 WeakPolarHBondContact O-CG 3.47Å; Q658-Q662 PolarHBondContact O-N 3.37Å; L659-Q662 CarbonylContact O-C 3.56Å; L659-Q662 PolarHBondContact O-N 2.63Å; I660-Q662 PolarHBondContact O-N 3.34Å; Q662-G664 PolarHBondContact O-N 3.35Å; Q662-G664 VanDerWaalsContact O-N 3.16Å; Q662-S665 WeakPolarHBondContact CB-O 3.47Å; Q662-S665 WeakPolarHBondContact O-CB 3.02Å; Q662-S665 PolarHBondContact O-N 2.97Å
663N88.1Confident92.1Very high71 Ų7152.4 Ų52.438%0.3827%0.27SS..THydrogen-bonded Turntrans53.634.1179.5-63.7-88.2000113.7S622 L659 I660 A661 Q749S622-N663 PolarHBondContact OG-O 3.19Å; L659-N663 PolarHBondContact O-N 3.21Å; I660-N663 WeakPolarHBondContact O-CA 3.32Å; I660-N663 PolarHBondContact O-N 3.1Å; A661-N663 VanDerWaalsContact C-N 3.26Å; A661-N663 PolarHBondContact O-N 3.34Å; A661-N663 PolarHBondContact O-ND2 2.85Å; N663-Q749 PolarHBondContact OD1-NE2 3.23Å
664G92.3Very high92.6Very high0 Ų052.7 Ų52.70%027%0.271CS..THydrogen-bonded Turntrans82.87.7-178.300000115.3S622 N623 L659 Q662S622-G664 WeakPolarHBondContact OG-CA 3.33Å; N623-G664 VanDerWaalsContact CB-O 3.25Å; N623-G664 WeakPolarHBondContact CB-O 3.14Å; N623-G664 PolarHBondContact N-O 2.87Å; N623-G664 PolarHBondContact ND2-O 2.98Å; N623-G664 VanDerWaalsContact ND2-O 3.12Å; L659-G664 PolarHBondContact O-N 3.42Å; Q662-G664 PolarHBondContact O-N 3.35Å; Q662-G664 VanDerWaalsContact O-N 3.16Å
665S95.6Very high92.9Very high16 Ų1651.4 Ų51.411%0.11226%0.264CS..  trans-78.9147.3165-170.70000110.9Q662 Q667 E685Q662-S665 WeakPolarHBondContact CB-O 3.47Å; Q662-S665 WeakPolarHBondContact O-CB 3.02Å; Q662-S665 PolarHBondContact O-N 2.97Å; S665-Q667 PolarHBondContact OG-N 2.8Å; S665-E685 WeakPolarHBondContact CB-OE1 3.44Å; S665-E685 PolarHBondContact OG-OE1 2.98Å
666I96.8Very high93.1Very high0 Ų051.2 Ų51.20%026%0.263CS..  trans-117.22.8174.665.1172.9000113.3L641 L659 D668 I669 I672 K677 Y680L641-I666 HydrophobicContact CD1-CD1 3.95Å; L641-I666 HydrophobicContact CD2-CG2 3.87Å; L659-I666 HydrophobicContact CD1-CG2 3.53Å; I666-D668 VanDerWaalsContact C-N 3.34Å; I666-D668 PolarHBondContact O-N 2.86Å; I666-I669 HydrophobicContact CG2-CD1 4.41Å; I666-I669 PolarHBondContact O-N 2.72Å; I666-I672 HydrophobicContact CB-CD1 3.75Å; I666-I672 HydrophobicContact CD1-CD1 4.48Å; I666-I672 HydrophobicContact CD1-CG2 4.13Å; I666-I672 HydrophobicContact CG2-CD1 3.85Å; I666-K677 WeakPolarHBondContact O-CE 3.39Å; I666-Y680 HydrophobicContact CD1-CD2 4.26Å; I666-Y680 HydrophobicContact CD1-CG 4.36Å
667Q96.3Very high93.5Very high41 Ų4151.2 Ų51.219%0.19226%0.263CS..THydrogen-bonded Turntrans-65.1-39.3-171.6-55.5-51.9-48.300111.9S665 K677 E685S665-Q667 PolarHBondContact OG-N 2.8Å; Q667-K677 PolarHBondContact NE2-O 3.38Å; Q667-K677 WeakPolarHBondContact O-CE 2.93Å; Q667-K677 PolarHBondContact O-NZ 2.84Å; Q667-E685 HydrophobicContact CG-CG 4.23Å; Q667-E685 WeakPolarHBondContact CG-OE2 3.47Å; Q667-E685 PolarHBondContact NE2-OE2 3.45Å; Q667-E685 VanDerWaalsContact NE2-OE2 3.08Å
668D94.4Very high93.9Very high117 Ų11751.3 Ų51.363%0.62626%0.261SS*.THydrogen-bonded Turntrans-938.8-176-59.7-37.6000113.9I666I666-D668 VanDerWaalsContact C-N 3.34Å; I666-D668 PolarHBondContact O-N 2.86Å
669I93.5Very high94.3Very high1 Ų148.8 Ų48.81%0.00525%0.25CS..  trans-90.6111.6176.8-60.3-179.8000108.3M655 Q658 I666 E671 I672 K677M655-I669 HydrophobicContact CE-CG2 3.76Å; M655-I669 HydrophobicContact SD-CD1 4.09Å; M655-I669 HydrophobicContact SD-CG2 3.85Å; Q658-I669 HydrophobicContact CB-CD1 4.11Å; Q658-I669 HydrophobicContact CB-CG1 4.47Å; I666-I669 HydrophobicContact CG2-CD1 4.41Å; I666-I669 PolarHBondContact O-N 2.72Å; I669-E671 VanDerWaalsContact C-N 3.34Å; I669-E671 VanDerWaalsContact CG2-OE2 3.23Å; I669-E671 WeakPolarHBondContact CG2-OE2 3.46Å; I669-E671 PolarHBondContact O-N 2.94Å; I669-I672 HydrophobicContact CB-CD1 4.01Å; I669-I672 HydrophobicContact CB-CG1 4.25Å; I669-I672 HydrophobicContact CD1-CD1 4.11Å; I669-I672 HydrophobicContact CG2-CB 4.42Å; I669-I672 HydrophobicContact CG2-CD1 3.83Å; I669-I672 HydrophobicContact CG2-CG1 3.77Å; I669-I672 PolarHBondContact O-N 3.45Å; I669-K677 WeakPolarHBondContact O-CE 3.34Å; I669-K677 PolarHBondContact O-NZ 2.92Å
670E93.1Very high94.6Very high182 Ų18248.9 Ų48.985%0.8525%0.25SS*.THydrogen-bonded Turntrans-65.9-33.4-172.9-69.9-174.2177.300113I672E670-I672 PolarHBondContact O-N 3.34Å
671E94.3Very high95.1Very high103 Ų10350 Ų5048%0.48125%0.254SS..THydrogen-bonded Turntrans-72.7-14.5-177.2-53.491.9157.600113.2M655 I669M655-E671 HydrophobicContact CE-CB 4.17Å; I669-E671 VanDerWaalsContact C-N 3.34Å; I669-E671 VanDerWaalsContact CG2-OE2 3.23Å; I669-E671 WeakPolarHBondContact CG2-OE2 3.46Å; I669-E671 PolarHBondContact O-N 2.94Å
672I96.4Very high95.6Very high4 Ų448.3 Ų48.32%0.02124%0.24CC..SBendtrans-88.3127.2-179.7-65.3179.1000109.9L645 M655 I666 I669 E670 L676 K677L645-I672 HydrophobicContact CD2-CD1 4.01Å; L645-I672 HydrophobicContact CD2-CG1 4.01Å; M655-I672 HydrophobicContact CE-CD1 4.29Å; M655-I672 HydrophobicContact CE-CG1 3.99Å; M655-I672 HydrophobicContact SD-CD1 3.83Å; M655-I672 HydrophobicContact SD-CG1 4.21Å; I666-I672 HydrophobicContact CB-CD1 3.75Å; I666-I672 HydrophobicContact CD1-CD1 4.48Å; I666-I672 HydrophobicContact CD1-CG2 4.13Å; I666-I672 HydrophobicContact CG2-CD1 3.85Å; I669-I672 HydrophobicContact CB-CD1 4.01Å; I669-I672 HydrophobicContact CB-CG1 4.25Å; I669-I672 HydrophobicContact CD1-CD1 4.11Å; I669-I672 HydrophobicContact CG2-CB 4.42Å; I669-I672 HydrophobicContact CG2-CD1 3.83Å; I669-I672 HydrophobicContact CG2-CG1 3.77Å; I669-I672 PolarHBondContact O-N 3.45Å; E670-I672 PolarHBondContact O-N 3.34Å; I672-L676 HydrophobicContact CG2-CB 3.8Å; I672-L676 HydrophobicContact CG2-CD1 4.43Å; I672-K677 HydrophobicContact CG2-CG 3.96Å; I672-K677 WeakPolarHBondContact O-CE 3.24Å
673P96.8Very high95.9Very high46 Ų4644.9 Ų44.930%0.29922%0.224SC..  trans-71.9154.4179.930-35.6000112.7D675 L676 K677P673-D675 VanDerWaalsContact C-N 3.27Å; P673-D675 VanDerWaalsContact CB-OD1 3.29Å; P673-D675 WeakPolarHBondContact CB-OD1 3.32Å; P673-D675 VanDerWaalsContact CG-OD1 3.31Å; P673-D675 WeakPolarHBondContact CG-OD1 3.16Å; P673-D675 PolarHBondContact O-N 3Å; P673-L676 HydrophobicContact CG-CD1 4.24Å; P673-L676 HydrophobicContact CG-CG 4.14Å; P673-L676 PolarHBondContact O-N 2.87Å; P673-L676 VanDerWaalsContact O-N 3.08Å; P673-K677 PolarHBondContact O-N 2.86Å; P673-K677 VanDerWaalsContact O-N 3.17Å
674E96.8Very high96.2Very high108 Ų10843.8 Ų43.851%0.50522%0.215SC..Hα-helixtrans-60.3-33.3-171.3-169.556.3-148.700113.7L676 K677 Q678E674-L676 VanDerWaalsContact C-N 3.3Å; E674-L676 PolarHBondContact O-N 2.99Å; E674-K677 WeakPolarHBondContact O-CB 3.33Å; E674-K677 PolarHBondContact O-N 3.37Å; E674-Q678 HydrophobicContact CG-CG 4.49Å; E674-Q678 WeakPolarHBondContact O-CG 3.25Å; E674-Q678 PolarHBondContact O-N 2.93Å; E674-Q678 PolarHBondContact OE1-NE2 2.96Å
675D96.8Very high96.4Very high85 Ų8545.8 Ų45.846%0.45522%0.224SC..Hα-helixtrans-61.4-39.2177.668.8-50.5000112.1R648 P673 L679R648-D675 IonicContact CZ-OD1 3.93Å; R648-D675 IonicContact CZ-OD2 3.71Å; R648-D675 IonicContact NH1-OD1 3.91Å; R648-D675 PolarHBondContact NH1-OD1 3.35Å; R648-D675 IonicContact NH1-OD2 3.45Å; R648-D675 PolarHBondContact NH1-OD2 2.96Å; R648-D675 IonicContact NH2-OD2 2.97Å; R648-D675 PolarHBondContact NH2-OD2 3.31Å; P673-D675 VanDerWaalsContact C-N 3.27Å; P673-D675 VanDerWaalsContact CB-OD1 3.29Å; P673-D675 WeakPolarHBondContact CB-OD1 3.32Å; P673-D675 VanDerWaalsContact CG-OD1 3.31Å; P673-D675 WeakPolarHBondContact CG-OD1 3.16Å; P673-D675 PolarHBondContact O-N 3Å; D675-L679 WeakPolarHBondContact O-CB 3.37Å; D675-L679 PolarHBondContact O-N 3.43Å; D675-L679 VanDerWaalsContact O-N 3.13Å
676L97.7Very high96.5Very high1 Ų145.4 Ų45.41%0.00522%0.221CC..Hα-helixtrans-73.3-38.7174.5-65.8-168.9000111.8D644 L645 R648 I672 P673 E674 Q678 L679 Y680D644-L676 HydrophobicContact CB-CD1 4.21Å; D644-L676 HydrophobicContact CB-CD2 4.19Å; L645-L676 HydrophobicContact CD2-CD1 4.18Å; R648-L676 VanDerWaalsContact NH2-CD2 3.29Å; I672-L676 HydrophobicContact CG2-CB 3.8Å; I672-L676 HydrophobicContact CG2-CD1 4.43Å; P673-L676 HydrophobicContact CG-CD1 4.24Å; P673-L676 HydrophobicContact CG-CG 4.14Å; P673-L676 PolarHBondContact O-N 2.87Å; P673-L676 VanDerWaalsContact O-N 3.08Å; E674-L676 VanDerWaalsContact C-N 3.3Å; E674-L676 PolarHBondContact O-N 2.99Å; L676-Q678 VanDerWaalsContact C-N 3.31Å; L676-Q678 PolarHBondContact O-N 3.39Å; L676-L679 PolarHBondContact O-N 3.29Å; L676-Y680 HydrophobicContact CB-CD2 4.29Å; L676-Y680 HydrophobicContact CD2-CD2 4.42Å; L676-Y680 HydrophobicContact CD2-CE2 3.98Å; L676-Y680 WeakPolarHBondContact O-CD2 3.47Å; L676-Y680 PolarHBondContact O-N 3.02Å
677K98.1Very high96.4Very high25 Ų2547.5 Ų47.511%0.10924%0.235CC..Hα-helixtrans-56.8-46.4176.7-71.2-175.5173.9-177.60111.5I666 Q667 I669 I672 P673 E674 K681I666-K677 WeakPolarHBondContact O-CE 3.39Å; Q667-K677 PolarHBondContact NE2-O 3.38Å; Q667-K677 WeakPolarHBondContact O-CE 2.93Å; Q667-K677 PolarHBondContact O-NZ 2.84Å; I669-K677 WeakPolarHBondContact O-CE 3.34Å; I669-K677 PolarHBondContact O-NZ 2.92Å; I672-K677 HydrophobicContact CG2-CG 3.96Å; I672-K677 WeakPolarHBondContact O-CE 3.24Å; P673-K677 PolarHBondContact O-N 2.86Å; P673-K677 VanDerWaalsContact O-N 3.17Å; E674-K677 WeakPolarHBondContact O-CB 3.33Å; E674-K677 PolarHBondContact O-N 3.37Å; K677-K681 VanDerWaalsContact O-CG 3.29Å; K677-K681 WeakPolarHBondContact O-CG 3.45Å; K677-K681 PolarHBondContact O-N 3.5Å
678Q98.1Very high96.4Very high71 Ų7146.7 Ų46.733%0.33223%0.231SC..Hα-helixtrans-66.4-42175.8-64.9-56.5-42.400112.3P518 E674 L676 Y680P518-Q678 HydrophobicContact CB-CB 4.28Å; P518-Q678 WeakPolarHBondContact CB-O 3.37Å; P518-Q678 HydrophobicContact CG-CB 3.93Å; E674-Q678 HydrophobicContact CG-CG 4.49Å; E674-Q678 WeakPolarHBondContact O-CG 3.25Å; E674-Q678 PolarHBondContact O-N 2.93Å; E674-Q678 PolarHBondContact OE1-NE2 2.96Å; L676-Q678 VanDerWaalsContact C-N 3.31Å; L676-Q678 PolarHBondContact O-N 3.39Å; Q678-Y680 VanDerWaalsContact C-N 3.33Å; Q678-Y680 PolarHBondContact O-N 3.29Å
679L98.4Very high96.5Very high15 Ų1545 Ų458%0.07922%0.219CC..Hα-helixtrans-65-36.2-178.3-17062000113I513 D675 L676I513-L679 HydrophobicContact CG2-CD2 4.4Å; D675-L679 WeakPolarHBondContact O-CB 3.37Å; D675-L679 PolarHBondContact O-N 3.43Å; D675-L679 VanDerWaalsContact O-N 3.13Å; L676-L679 PolarHBondContact O-N 3.29Å
680Y98.3Very high96.7Very high3 Ų346.3 Ų46.31%0.01223%0.226CC..THydrogen-bonded Turntrans-110.526.8-173.3-64.2-68.3000113.6I513 N623 H640 L641 D644 I666 L676 Q678 T682I513-Y680 HydrophobicContact CD1-CD1 4.25Å; I513-Y680 HydrophobicContact CD1-CE1 3.98Å; I513-Y680 HydrophobicContact CG1-CE1 4.17Å; I513-Y680 HydrophobicContact CG2-CE1 3.73Å; N623-Y680 PolarHBondContact ND2-O 3.38Å; H640-Y680 HydrophobicContact CB-CE1 3.9Å; H640-Y680 WeakPolarHBondContact CB-OH 3.11Å; H640-Y680 PolarHBondContact O-OH 2.61Å; L641-Y680 HydrophobicContact CB-CD1 3.97Å; L641-Y680 HydrophobicContact CB-CD2 4.26Å; L641-Y680 HydrophobicContact CB-CE1 3.89Å; L641-Y680 HydrophobicContact CB-CE2 4.16Å; L641-Y680 HydrophobicContact CB-CG 4.16Å; L641-Y680 HydrophobicContact CD1-CD2 3.5Å; L641-Y680 VanDerWaalsContact CD1-CD2 3.5Å; L641-Y680 HydrophobicContact CD1-CE2 3.79Å; L641-Y680 HydrophobicContact CD1-CG 3.94Å; L641-Y680 HydrophobicContact CG-CD2 4.45Å; L641-Y680 PolarHBondContact N-OH 2.93Å; D644-Y680 VanDerWaalsContact OD2-CE2 3.23Å; D644-Y680 WeakPolarHBondContact OD2-CE2 3.23Å; D644-Y680 VanDerWaalsContact OD2-CZ 3.29Å; D644-Y680 PolarHBondContact OD2-OH 2.8Å; I666-Y680 HydrophobicContact CD1-CD2 4.26Å; I666-Y680 HydrophobicContact CD1-CG 4.36Å; L676-Y680 HydrophobicContact CB-CD2 4.29Å; L676-Y680 HydrophobicContact CD2-CD2 4.42Å; L676-Y680 HydrophobicContact CD2-CE2 3.98Å; L676-Y680 WeakPolarHBondContact O-CD2 3.47Å; L676-Y680 PolarHBondContact O-N 3.02Å; Q678-Y680 VanDerWaalsContact C-N 3.33Å; Q678-Y680 PolarHBondContact O-N 3.29Å; Y680-T682 PolarHBondContact O-N 3.37Å
681K98.3Very high96.9Very high44 Ų4438.2 Ų38.219%0.19119%0.189CC..  trans-53.6131167.3-68.1-175.175.8-171.90109.9E520 K677 E685 I686E520-K681 IonicContact OE2-NZ 3.35Å; E520-K681 PolarHBondContact OE2-NZ 3.03Å; K677-K681 VanDerWaalsContact O-CG 3.29Å; K677-K681 WeakPolarHBondContact O-CG 3.45Å; K677-K681 PolarHBondContact O-N 3.5Å; K681-E685 VanDerWaalsContact CA-OE2 3.31Å; K681-E685 WeakPolarHBondContact CA-OE2 3.45Å; K681-E685 HydrophobicContact CB-CB 4.24Å; K681-E685 WeakPolarHBondContact CE-O 3.47Å; K681-E685 PolarHBondContact NZ-O 3.3Å; K681-I686 HydrophobicContact CB-CD1 4.42Å; K681-I686 HydrophobicContact CB-CG1 3.97Å
682T97.3Very high97.1Very high4 Ų433.3 Ų33.33%0.02517%0.167CC..  trans-75.3161.7174.371.20000110.2Y620 Y680 W684 E685 I686Y620-T682 WeakPolarHBondContact O-CA 3.39Å; Y680-T682 PolarHBondContact O-N 3.37Å; T682-W684 PolarHBondContact O-N 2.88Å; T682-E685 PolarHBondContact N-OE2 3.22Å; T682-E685 PolarHBondContact O-N 3.13Å; T682-E685 PolarHBondContact OG1-OE1 3.4Å; T682-I686 WeakPolarHBondContact O-CG1 3.16Å; T682-I686 PolarHBondContact O-N 2.97Å
683V96.6Very high97.2Very high5 Ų537 Ų373%0.0318%0.182CC..THydrogen-bonded Turntrans-55.7-24.7176.777.10000113.3A619 Y620 T621 E685 Q688 H711A619-V683 HydrophobicContact CB-CB 4.1Å; A619-V683 HydrophobicContact CB-CG2 4.14Å; Y620-V683 PolarHBondContact O-N 3.38Å; T621-V683 HydrophobicContact CG2-CG1 4.21Å; V683-E685 VanDerWaalsContact C-N 3.31Å; V683-Q688 PolarHBondContact O-NE2 3.44Å; V683-H711 HydrophobicContact CG1-CB 3.88Å; V683-H711 HydrophobicContact CG2-CB 3.94Å; V683-H711 WeakPolarHBondContact CG2-ND1 3.28Å
684W95.4Very high97.3Very high48 Ų4834.8 Ų34.818%0.18217%0.168CC..THydrogen-bonded Turntrans-76.9-18177.9-50.1105.2000113.5T621 T682 H711 A713 R740 K742T621-W684 PolarHBondContact O-NE1 3.05Å; T682-W684 PolarHBondContact O-N 2.88Å; W684-H711 HydrophobicContact CE3-CB 3.95Å; W684-H711 HydrophobicContact CH2-CB 4.39Å; W684-H711 AromaticContact CH2-CD2 3.92Å; W684-H711 HydrophobicContact CZ3-CB 3.87Å; W684-A713 HydrophobicContact CE3-CB 4.19Å; W684-R740 HydrophobicContact CH2-CB 4.03Å; W684-R740 WeakPolarHBondContact CZ3-O 3.29Å; W684-K742 VanDerWaalsContact CD1-CE 3.4Å; W684-K742 HydrophobicContact CD2-CD 4.27Å; W684-K742 HydrophobicContact CD2-CG 4.12Å; W684-K742 HydrophobicContact CE3-CD 4.48Å; W684-K742 HydrophobicContact CE3-CG 4.02Å; W684-K742 HydrophobicContact CG-CD 4.5Å; W684-K742 HydrophobicContact CH2-CG 4.05Å; W684-K742 HydrophobicContact CZ2-CG 4.16Å; W684-K742 HydrophobicContact CZ3-CG 3.98Å
685E95.8Very high97.4Very high42 Ų4229.6 Ų29.620%0.19614%0.144CC..THydrogen-bonded Turntrans-102.8-10.6178.9-65.1148.5-154.300111.5S665 Q667 K681 T682 V683S665-E685 WeakPolarHBondContact CB-OE1 3.44Å; S665-E685 PolarHBondContact OG-OE1 2.98Å; Q667-E685 HydrophobicContact CG-CG 4.23Å; Q667-E685 WeakPolarHBondContact CG-OE2 3.47Å; Q667-E685 PolarHBondContact NE2-OE2 3.45Å; Q667-E685 VanDerWaalsContact NE2-OE2 3.08Å; K681-E685 VanDerWaalsContact CA-OE2 3.31Å; K681-E685 WeakPolarHBondContact CA-OE2 3.45Å; K681-E685 HydrophobicContact CB-CB 4.24Å; K681-E685 WeakPolarHBondContact CE-O 3.47Å; K681-E685 PolarHBondContact NZ-O 3.3Å; T682-E685 PolarHBondContact N-OE2 3.22Å; T682-E685 PolarHBondContact O-N 3.13Å; T682-E685 PolarHBondContact OG1-OE1 3.4Å; V683-E685 VanDerWaalsContact C-N 3.31Å
686I96.6Very high97.5Very high9 Ų925.9 Ų25.95%0.04613%0.125CC..SBendtrans-88.3134.6178-70.8165.8000109.5F519 E520 A619 K681 T682 Q688 V691F519-I686 HydrophobicContact CB-CD1 3.72Å; F519-I686 HydrophobicContact CD1-CD1 4.29Å; F519-I686 HydrophobicContact CD1-CG2 4.39Å; F519-I686 HydrophobicContact CG-CD1 3.97Å; E520-I686 HydrophobicContact CG-CB 4.45Å; E520-I686 HydrophobicContact CG-CG1 4.29Å; E520-I686 HydrophobicContact CG-CG2 3.79Å; A619-I686 HydrophobicContact CB-CD1 3.55Å; K681-I686 HydrophobicContact CB-CD1 4.42Å; K681-I686 HydrophobicContact CB-CG1 3.97Å; T682-I686 WeakPolarHBondContact O-CG1 3.16Å; T682-I686 PolarHBondContact O-N 2.97Å; I686-Q688 PolarHBondContact O-N 3.43Å; I686-Q688 PolarHBondContact O-NE2 3.15Å; I686-Q688 VanDerWaalsContact O-NE2 3.11Å; I686-V691 HydrophobicContact CG2-CG2 3.8Å
687S95.9Very high97.6Very high43 Ų4327.7 Ų27.730%0.30114%0.135SC..  trans-61.4120.7175.3174.50000111.2E520 K689 T690 V691E520-S687 VanDerWaalsContact OE1-CB 3.24Å; E520-S687 WeakPolarHBondContact OE1-CB 2.9Å; E520-S687 PolarHBondContact OE1-N 3.02Å; S687-K689 PolarHBondContact O-N 3.07Å; S687-K689 PolarHBondContact OG-N 3.41Å; S687-T690 WeakPolarHBondContact O-CB 3.13Å; S687-T690 PolarHBondContact O-N 3.36Å; S687-V691 PolarHBondContact O-N 3.1Å; S687-V691 VanDerWaalsContact O-N 3.14Å
688Q95.9Very high97.6Very high24 Ų2426.6 Ų26.611%0.11213%0.13CC..Hα-helixtrans-65.7-23.5175.9-60.1-55.7-70.100112.4V683 I686 T690 V691 L692 I710 H711 I712V683-Q688 PolarHBondContact O-NE2 3.44Å; I686-Q688 PolarHBondContact O-N 3.43Å; I686-Q688 PolarHBondContact O-NE2 3.15Å; I686-Q688 VanDerWaalsContact O-NE2 3.11Å; Q688-T690 VanDerWaalsContact C-N 3.34Å; Q688-V691 PolarHBondContact O-N 3.44Å; Q688-L692 WeakPolarHBondContact O-CB 3.5Å; Q688-L692 VanDerWaalsContact O-CG 3.32Å; Q688-L692 WeakPolarHBondContact O-CG 3.26Å; Q688-L692 PolarHBondContact O-N 2.89Å; Q688-I710 HydrophobicContact CG-CG2 4.35Å; Q688-H711 WeakPolarHBondContact CG-O 3.17Å; Q688-H711 PolarHBondContact NE2-O 3.11Å; Q688-H711 PolarHBondContact OE1-O 3.35Å; Q688-I712 HydrophobicContact CG-CG1 4.38Å
689K96Very high97.6Very high83 Ų8323.3 Ų23.336%0.36112%0.116SC..Hα-helixtrans-64.2-40.3169.7-71.3-175.6177.3179.80111.1S687 L692 K693 Y726S687-K689 PolarHBondContact O-N 3.07Å; S687-K689 PolarHBondContact OG-N 3.41Å; K689-L692 PolarHBondContact O-N 2.83Å; K689-K693 WeakPolarHBondContact O-CB 3.24Å; K689-K693 PolarHBondContact O-N 3.05Å; K689-Y726 HydrophobicContact CB-CD1 4.23Å; K689-Y726 HydrophobicContact CB-CE1 3.85Å; K689-Y726 HydrophobicContact CG-CD1 4.06Å; K689-Y726 HydrophobicContact CG-CE1 4.14Å; K689-Y726 HydrophobicContact CG-CG 4.41Å; K689-Y726 WeakPolarHBondContact O-CE1 3.07Å
690T97.8Very high97.6Very high27 Ų2723.1 Ų23.117%0.16612%0.115CC..Hα-helixtrans-64.1-43.1175.2-550000111E520 S687 Q688 L692 K693 M694E520-T690 HydrophobicContact CB-CG2 4.16Å; E520-T690 HydrophobicContact CG-CG2 4.06Å; S687-T690 WeakPolarHBondContact O-CB 3.13Å; S687-T690 PolarHBondContact O-N 3.36Å; Q688-T690 VanDerWaalsContact C-N 3.34Å; T690-L692 PolarHBondContact O-N 3.24Å; T690-K693 PolarHBondContact O-N 3.48Å; T690-M694 HydrophobicContact CG2-CG 4.48Å; T690-M694 HydrophobicContact CG2-SD 4.2Å; T690-M694 WeakPolarHBondContact O-CG 3.35Å; T690-M694 PolarHBondContact O-N 3.27Å
691V98.2Very high97.7Very high12 Ų1223.3 Ų23.37%0.07312%0.116CC..Hα-helixtrans-58.3-48.1174.9176.50000111.4F519 I686 S687 Q688 M694 A695 L708F519-V691 HydrophobicContact CE1-CG2 4.49Å; I686-V691 HydrophobicContact CG2-CG2 3.8Å; S687-V691 PolarHBondContact O-N 3.1Å; S687-V691 VanDerWaalsContact O-N 3.14Å; Q688-V691 PolarHBondContact O-N 3.44Å; V691-M694 PolarHBondContact O-N 2.83Å; V691-A695 WeakPolarHBondContact O-CB 3.43Å; V691-A695 PolarHBondContact O-N 3.15Å; V691-L708 HydrophobicContact CG1-CD1 4.06Å
692L98.5Very high97.7Very high0 Ų021.3 Ų21.30%011%0.107CC..Hα-helixtrans-62.8-40.4177-74.4167.4000112.2Q688 K689 T690 A695 A696 L708 I710 M723 Y726 L730 L732Q688-L692 WeakPolarHBondContact O-CB 3.5Å; Q688-L692 VanDerWaalsContact O-CG 3.32Å; Q688-L692 WeakPolarHBondContact O-CG 3.26Å; Q688-L692 PolarHBondContact O-N 2.89Å; K689-L692 PolarHBondContact O-N 2.83Å; T690-L692 PolarHBondContact O-N 3.24Å; L692-A695 WeakPolarHBondContact O-CB 3.22Å; L692-A695 PolarHBondContact O-N 2.83Å; L692-A696 PolarHBondContact O-N 3.17Å; L692-L708 HydrophobicContact CD2-CD2 3.72Å; L692-I710 HydrophobicContact CD2-CD1 3.96Å; L692-I710 HydrophobicContact CG-CD1 4.12Å; L692-M723 HydrophobicContact CD1-CG 3.81Å; L692-M723 WeakPolarHBondContact CD1-O 3.45Å; L692-M723 HydrophobicContact CD1-SD 4.17Å; L692-Y726 HydrophobicContact CB-CD1 3.94Å; L692-Y726 HydrophobicContact CB-CE1 4.07Å; L692-Y726 HydrophobicContact CD1-CD1 3.85Å; L692-L730 HydrophobicContact CB-CD1 4.15Å; L692-L732 HydrophobicContact CB-CD1 4.5Å; L692-L732 HydrophobicContact CD2-CD1 3.39Å
693K98.6Very high97.8Very high81 Ų8121.4 Ų21.435%0.35211%0.107SC..Hα-helixtrans-63.7-49.8176.5-173.5-168.8169.6-147.70111.3K689 T690 A695 A696 D697K689-K693 WeakPolarHBondContact O-CB 3.24Å; K689-K693 PolarHBondContact O-N 3.05Å; T690-K693 PolarHBondContact O-N 3.48Å; K693-A695 PolarHBondContact O-N 3.3Å; K693-A696 WeakPolarHBondContact O-CA 3.32Å; K693-A696 WeakPolarHBondContact O-CB 3.28Å; K693-A696 PolarHBondContact O-N 3.34Å; K693-D697 VanDerWaalsContact O-CG 3.29Å; K693-D697 PolarHBondContact O-N 3.38Å
694M98.8Very high97.9Very high0 Ų021.1 Ų21.10%011%0.106CC..Hα-helixtrans-61.1-33.7176.4-69.6176.477.600112.2F512 F519 Q525 N528 T690 V691 R698F512-M694 HydrophobicContact CE2-CE 3.7Å; F512-M694 HydrophobicContact CZ-CE 3.69Å; F519-M694 HydrophobicContact CD1-SD 4.02Å; F519-M694 HydrophobicContact CE1-CE 4.21Å; F519-M694 HydrophobicContact CE1-SD 3.79Å; Q525-M694 HydrophobicContact CG-CG 3.91Å; Q525-M694 HydrophobicContact CG-SD 4.17Å; N528-M694 HydrophobicContact CB-CE 3.85Å; N528-M694 PolarHBondContact ND2-O 3.37Å; T690-M694 HydrophobicContact CG2-CG 4.48Å; T690-M694 HydrophobicContact CG2-SD 4.2Å; T690-M694 WeakPolarHBondContact O-CG 3.35Å; T690-M694 PolarHBondContact O-N 3.27Å; V691-M694 PolarHBondContact O-N 2.83Å; M694-R698 WeakPolarHBondContact O-CG 3.24Å; M694-R698 PolarHBondContact O-N 3.22Å; M694-R698 PolarHBondContact O-NE 3.48Å
695A98.8Very high98Very high0 Ų019.1 Ų19.10%010%0.099CC..Hα-helixtrans-65.8-39.717300000112.3V691 L692 K693 R698 G699 Q706 L708 L732V691-A695 WeakPolarHBondContact O-CB 3.43Å; V691-A695 PolarHBondContact O-N 3.15Å; L692-A695 WeakPolarHBondContact O-CB 3.22Å; L692-A695 PolarHBondContact O-N 2.83Å; K693-A695 PolarHBondContact O-N 3.3Å; A695-R698 VanDerWaalsContact CA-NH1 3.35Å; A695-R698 WeakPolarHBondContact O-CG 3.48Å; A695-G699 WeakPolarHBondContact O-CA 3.25Å; A695-G699 PolarHBondContact O-N 2.97Å; A695-Q706 PolarHBondContact O-NE2 3.11Å; A695-L708 HydrophobicContact CB-CD1 3.91Å; A695-L708 HydrophobicContact CB-CD2 3.72Å; A695-L708 HydrophobicContact CB-CG 4.48Å; A695-L732 HydrophobicContact CB-CD2 4.04Å
696A98.8Very high98.2Very high7 Ų717.4 Ų17.46%0.0589%0.091CC..Hα-helixtrans-68.4-43.6174.400000111.4W571 L692 K693 R698 G699 T700 L730 L732W571-A696 HydrophobicContact CZ3-CB 4.41Å; L692-A696 PolarHBondContact O-N 3.17Å; K693-A696 WeakPolarHBondContact O-CA 3.32Å; K693-A696 WeakPolarHBondContact O-CB 3.28Å; K693-A696 PolarHBondContact O-N 3.34Å; A696-R698 PolarHBondContact O-N 3.49Å; A696-G699 WeakPolarHBondContact O-CA 3.46Å; A696-G699 PolarHBondContact O-N 3.45Å; A696-T700 PolarHBondContact O-N 2.86Å; A696-L730 HydrophobicContact CB-CB 3.89Å; A696-L730 HydrophobicContact CB-CD1 4.1Å; A696-L730 HydrophobicContact CB-CG 4.42Å; A696-L732 HydrophobicContact CB-CD2 3.96Å
697D98.7Very high98.3Very high39 Ų3917.1 Ų17.121%0.2099%0.09CC..Hα-helixtrans-58.1-49.9178.3-68.1-26.1000111.1I529 K693 G699 T700I529-D697 HydrophobicContact CD1-CB 4.24Å; I529-D697 HydrophobicContact CG1-CB 3.93Å; K693-D697 VanDerWaalsContact O-CG 3.29Å; K693-D697 PolarHBondContact O-N 3.38Å; D697-G699 VanDerWaalsContact C-N 3.3Å; D697-G699 PolarHBondContact O-N 3.37Å; D697-T700 WeakPolarHBondContact O-CG2 3.5Å; D697-T700 PolarHBondContact O-N 3.35Å; D697-T700 PolarHBondContact O-OG1 2.7Å
698R98.8Very high98.4Very high1 Ų115.1 Ų15.10%0.0048%0.076CC..Hα-helixtrans-70.1-27.2174.373.3-17983.1105.2-0.8113.1N528 F532 M694 A695 A696 T700 Y701 I702 Q706N528-R698 PolarHBondContact OD1-NE 3.4Å; N528-R698 PolarHBondContact OD1-NH2 3.06Å; F532-R698 HydrophobicContact CB-CB 3.98Å; F532-R698 HydrophobicContact CD1-CB 4.24Å; F532-R698 HydrophobicContact CD2-CB 3.51Å; F532-R698 HydrophobicContact CD2-CG 4.33Å; F532-R698 HydrophobicContact CE2-CB 4.04Å; F532-R698 HydrophobicContact CE2-CG 4.39Å; F532-R698 HydrophobicContact CG-CB 3.63Å; M694-R698 WeakPolarHBondContact O-CG 3.24Å; M694-R698 PolarHBondContact O-N 3.22Å; M694-R698 PolarHBondContact O-NE 3.48Å; A695-R698 VanDerWaalsContact CA-NH1 3.35Å; A695-R698 WeakPolarHBondContact O-CG 3.48Å; A696-R698 PolarHBondContact O-N 3.49Å; R698-T700 PolarHBondContact O-N 2.99Å; R698-Y701 PolarHBondContact O-N 3.17Å; R698-I702 HydrophobicContact CB-CD1 4.33Å; R698-I702 HydrophobicContact CG-CD1 3.81Å; R698-I702 WeakPolarHBondContact O-CG1 3.49Å; R698-Q706 VanDerWaalsContact CD-OE1 3.26Å
699G98.7Very high98.5Very high3 Ų314.8 Ų14.83%0.0317%0.074CC..Hα-helixtrans-59.1-25.8179.200000113.3W571 A695 A696 D697 Y701 I702W571-G699 VanDerWaalsContact CE2-O 3.32Å; W571-G699 PolarHBondContact NE1-O 3.12Å; W571-G699 VanDerWaalsContact NE1-O 3.09Å; A695-G699 WeakPolarHBondContact O-CA 3.25Å; A695-G699 PolarHBondContact O-N 2.97Å; A696-G699 WeakPolarHBondContact O-CA 3.46Å; A696-G699 PolarHBondContact O-N 3.45Å; D697-G699 VanDerWaalsContact C-N 3.3Å; D697-G699 PolarHBondContact O-N 3.37Å; G699-Y701 PolarHBondContact O-N 2.83Å; G699-I702 PolarHBondContact O-N 2.91Å
700T98.6Very high98.6Very high10 Ų1010.8 Ų10.86%0.0616%0.057CC..THydrogen-bonded Turntrans-61-22.4173.365.90000113.5Q567 Y568 W571 K573 A696 D697 R698Q567-T700 CarbonylContact C-O 3.59Å; Q567-T700 WeakPolarHBondContact CB-O 3.44Å; Q567-T700 VanDerWaalsContact CG-O 3.27Å; Q567-T700 WeakPolarHBondContact CG-O 3.46Å; Y568-T700 WeakPolarHBondContact CA-O 3.12Å; Y568-T700 WeakPolarHBondContact CB-O 3.29Å; Y568-T700 PolarHBondContact N-O 3.45Å; W571-T700 HydrophobicContact CB-CG2 4.09Å; W571-T700 HydrophobicContact CD2-CG2 4.23Å; W571-T700 HydrophobicContact CE3-CG2 4.34Å; W571-T700 HydrophobicContact CG-CG2 4.17Å; K573-T700 HydrophobicContact CB-CG2 4.13Å; K573-T700 HydrophobicContact CG-CG2 3.69Å; A696-T700 PolarHBondContact O-N 2.86Å; D697-T700 WeakPolarHBondContact O-CG2 3.5Å; D697-T700 PolarHBondContact O-N 3.35Å; D697-T700 PolarHBondContact O-OG1 2.7Å; R698-T700 PolarHBondContact O-N 2.99Å
701Y98.9Very high98.5Very high8 Ų810 Ų103%0.0315%0.052CC..THydrogen-bonded Turntrans-112.26179.2-52.4-66.3000112.8I529 F532 E533 Y536 Y568 P575 W581 L599 R698 G699I529-Y701 HydrophobicContact CG2-CE2 4.03Å; F532-Y701 HydrophobicContact CB-CD2 4.18Å; E533-Y701 HydrophobicContact CB-CD1 4.28Å; E533-Y701 HydrophobicContact CB-CD2 4.11Å; E533-Y701 HydrophobicContact CB-CE1 4Å; E533-Y701 HydrophobicContact CB-CE2 3.8Å; E533-Y701 HydrophobicContact CB-CG 4.34Å; E533-Y701 HydrophobicContact CG-CD1 4.25Å; E533-Y701 HydrophobicContact CG-CE1 3.72Å; E533-Y701 HydrophobicContact CG-CE2 4.35Å; E533-Y701 PolarHBondContact OE2-OH 3.08Å; Y536-Y701 WeakPolarHBondContact CB-O 3.48Å; Y536-Y701 HydrophobicContact CD1-CD1 4.17Å; Y536-Y701 VanDerWaalsContact CD2-O 3.3Å; Y536-Y701 WeakPolarHBondContact CD2-O 3.46Å; Y536-Y701 VanDerWaalsContact CG-O 3.23Å; Y568-Y701 HydrophobicContact CD1-CD1 4.3Å; Y568-Y701 HydrophobicContact CD1-CE1 4.24Å; P575-Y701 WeakPolarHBondContact CA-OH 3.46Å; P575-Y701 HydrophobicContact CB-CE1 4.2Å; P575-Y701 HydrophobicContact CG-CE1 4.38Å; W581-Y701 HydrophobicContact CZ2-CD1 4.4Å; W581-Y701 HydrophobicContact CZ2-CE1 4.35Å; L599-Y701 VanDerWaalsContact CD2-O 3.28Å; L599-Y701 WeakPolarHBondContact CD2-O 3.5Å; R698-Y701 PolarHBondContact O-N 3.17Å; G699-Y701 PolarHBondContact O-N 2.83Å
702I98.9Very high98.3Very high2 Ų210.3 Ų10.31%0.015%0.052CC..  trans-110108.2-179.4-64.1166.9000108.8F532 Q567 L599 P601 R698 G699 Q704 S705 Q706F532-I702 HydrophobicContact CD1-CD1 4.07Å; F532-I702 HydrophobicContact CD1-CG1 4.13Å; F532-I702 HydrophobicContact CE1-CD1 4.07Å; F532-I702 HydrophobicContact CE1-CG1 4.49Å; Q567-I702 VanDerWaalsContact CD-O 3.3Å; Q567-I702 WeakPolarHBondContact CG-O 3.19Å; Q567-I702 PolarHBondContact NE2-O 3.15Å; L599-I702 HydrophobicContact CB-CG1 4.46Å; L599-I702 HydrophobicContact CB-CG2 4.44Å; L599-I702 WeakPolarHBondContact O-CG2 3.5Å; P601-I702 HydrophobicContact CG-CD1 3.74Å; P601-I702 HydrophobicContact CG-CG1 4.38Å; R698-I702 HydrophobicContact CB-CD1 4.33Å; R698-I702 HydrophobicContact CG-CD1 3.81Å; R698-I702 WeakPolarHBondContact O-CG1 3.49Å; G699-I702 PolarHBondContact O-N 2.91Å; I702-Q704 VanDerWaalsContact C-N 3.34Å; I702-S705 WeakPolarHBondContact CG2-O 3.15Å; I702-Q706 HydrophobicContact CD1-CB 4.42Å
703D98.7Very high97.8Very high5 Ų511.7 Ų11.73%0.0276%0.064CC..SBendtrans-74.7-21.6-177.857.15.6000113.6Y536 L597 L598 L599 K733Y536-D703 HydrophobicContact CE2-CB 4.37Å; L597-D703 VanDerWaalsContact CA-OD2 3.31Å; L597-D703 WeakPolarHBondContact CA-OD2 3.44Å; L597-D703 HydrophobicContact CD2-CB 3.88Å; L598-D703 WeakPolarHBondContact CB-OD2 3.14Å; L598-D703 VanDerWaalsContact N-CG 3.3Å; L598-D703 PolarHBondContact N-OD1 3.04Å; L598-D703 VanDerWaalsContact N-OD1 3.1Å; L598-D703 PolarHBondContact N-OD2 2.66Å; L599-D703 PolarHBondContact N-OD1 3.28Å; D703-K733 PolarHBondContact O-NZ 3.31Å
704Q98.8Very high97.3Very high0 Ų015.1 Ų15.10%08%0.081CC..SBendtrans-95-123.7166.5-48.7-15141.200111.4E431 I432 E434 I501 L597 L599 A600 I702 K733E431-Q704 WeakPolarHBondContact O-CB 3.22Å; I432-Q704 VanDerWaalsContact CA-OE1 3.3Å; I432-Q704 VanDerWaalsContact CG2-OE1 3.29Å; E434-Q704 PolarHBondContact OE1-NE2 3.16Å; E434-Q704 PolarHBondContact OE1-OE1 2.64Å; I501-Q704 PolarHBondContact O-NE2 2.97Å; L597-Q704 HydrophobicContact CB-CG 3.88Å; L597-Q704 HydrophobicContact CD1-CG 4.04Å; L597-Q704 HydrophobicContact CD2-CG 4.37Å; L597-Q704 HydrophobicContact CG-CG 4.31Å; L599-Q704 VanDerWaalsContact O-CB 3.23Å; L599-Q704 WeakPolarHBondContact O-CB 3.32Å; L599-Q704 WeakPolarHBondContact O-CG 3.23Å; L599-Q704 PolarHBondContact O-N 2.65Å; A600-Q704 HydrophobicContact CB-CB 3.86Å; A600-Q704 HydrophobicContact CB-CG 4.12Å; I702-Q704 VanDerWaalsContact C-N 3.34Å; Q704-K733 WeakPolarHBondContact O-CD 3.34Å; Q704-K733 WeakPolarHBondContact O-CE 3.49Å; Q704-K733 PolarHBondContact O-NZ 3.04Å
705S98.8Very high96.7Very high5 Ų516.9 Ų16.94%0.0359%0.093CC..  trans-138.8-164.8173.3-165.60000110.1E431 A600 P601 I702 K733 T734E431-S705 CarbonylContact O-C 3.5Å; E431-S705 VanDerWaalsContact O-CA 3.31Å; E431-S705 WeakPolarHBondContact O-CA 3.3Å; E431-S705 WeakPolarHBondContact O-CB 3.16Å; E431-S705 PolarHBondContact O-N 2.93Å; A600-S705 WeakPolarHBondContact CA-O 3.37Å; P601-S705 VanDerWaalsContact CD-O 3.27Å; P601-S705 WeakPolarHBondContact CD-O 3.1Å; I702-S705 WeakPolarHBondContact CG2-O 3.15Å; S705-K733 WeakPolarHBondContact OG-CB 3.31Å; S705-T734 VanDerWaalsContact OG-CB 3.3Å; S705-T734 WeakPolarHBondContact OG-CB 2.99Å; S705-T734 PolarHBondContact OG-N 2.9Å; S705-T734 PolarHBondContact OG-OG1 2.78Å
706Q98.8Very high96.3Very high7 Ų719.1 Ų19.13%0.03311%0.105CC..  trans-143.2141.4179.762.9-166.3-77.500110.3P601 A695 R698 I702 L708 T734P601-Q706 HydrophobicContact CB-CB 4.06Å; P601-Q706 HydrophobicContact CG-CB 4.24Å; P601-Q706 WeakPolarHBondContact O-CA 3.42Å; A695-Q706 PolarHBondContact O-NE2 3.11Å; R698-Q706 VanDerWaalsContact CD-OE1 3.26Å; I702-Q706 HydrophobicContact CD1-CB 4.42Å; Q706-L708 PolarHBondContact O-N 3.17Å; Q706-L708 VanDerWaalsContact O-N 3.08Å; Q706-T734 WeakPolarHBondContact O-CB 3.41Å
707S98.6Very high95.9Very high3 Ų320.3 Ų20.32%0.02111%0.108CC..  trans-75.297.4177.4-56.20000110.8C429 E431 P601 P603C429-S707 WeakPolarHBondContact O-CB 3.49Å; C429-S707 PolarHBondContact O-OG 2.76Å; E431-S707 PolarHBondContact OE2-OG 2.96Å; P601-S707 PolarHBondContact O-N 3.05Å; P603-S707 WeakPolarHBondContact CD-OG 3.44Å
708L98.4Very high95.5Very high1 Ų118.6 Ų18.61%0.00510%0.1CC..  trans-104.296.5-172.1-168.366.1000112.3I617 V691 L692 A695 Q706 I710 L732 Y737I617-L708 HydrophobicContact CD1-CD1 3.8Å; V691-L708 HydrophobicContact CG1-CD1 4.06Å; L692-L708 HydrophobicContact CD2-CD2 3.72Å; A695-L708 HydrophobicContact CB-CD1 3.91Å; A695-L708 HydrophobicContact CB-CD2 3.72Å; A695-L708 HydrophobicContact CB-CG 4.48Å; Q706-L708 PolarHBondContact O-N 3.17Å; Q706-L708 VanDerWaalsContact O-N 3.08Å; L708-I710 HydrophobicContact CD2-CD1 4.46Å; L708-I710 HydrophobicContact CG-CD1 4.38Å; L708-L732 HydrophobicContact CD2-CD1 3.99Å; L708-Y737 PolarHBondContact O-N 3.25Å
709N98.3Very high95.1Very high16 Ų1621 Ų219%0.08611%0.11CC..  trans-73.2140.4170.7-71.5-31.3000111E618 Y737 Y738E618-N709 WeakPolarHBondContact OE1-CB 3.35Å; E618-N709 PolarHBondContact OE1-ND2 3.44Å; N709-Y737 WeakPolarHBondContact OD1-CD1 3.39Å; N709-Y738 WeakPolarHBondContact CA-O 3.49Å; N709-Y738 WeakPolarHBondContact OD1-CB 3.34Å; N709-Y738 PolarHBondContact OD1-N 2.93Å
710I97.6Very high94.8Very high0 Ų020.9 Ų20.90%011%0.109CC..EExtended strand (participates in β ladder)trans-113.5133.9176.2-62.7-64.4000109.4Q688 L692 L708 I712 M723 M736 Y738 L739 R740Q688-I710 HydrophobicContact CG-CG2 4.35Å; L692-I710 HydrophobicContact CD2-CD1 3.96Å; L692-I710 HydrophobicContact CG-CD1 4.12Å; L708-I710 HydrophobicContact CD2-CD1 4.46Å; L708-I710 HydrophobicContact CG-CD1 4.38Å; I710-I712 HydrophobicContact CG2-CD1 4.02Å; I710-I712 HydrophobicContact CG2-CG1 4.02Å; I710-M723 HydrophobicContact CB-CE 4.35Å; I710-M723 HydrophobicContact CB-SD 4.38Å; I710-M723 HydrophobicContact CD1-SD 4.19Å; I710-M723 HydrophobicContact CG1-CE 4.36Å; I710-M723 HydrophobicContact CG1-SD 3.86Å; I710-M723 HydrophobicContact CG2-CE 3.79Å; I710-M723 HydrophobicContact CG2-CG 4.03Å; I710-M723 HydrophobicContact CG2-SD 3.89Å; I710-M736 HydrophobicContact CB-CG 4.13Å; I710-M736 HydrophobicContact CB-SD 4.4Å; I710-M736 HydrophobicContact CG1-CB 4.34Å; I710-M736 HydrophobicContact CG1-CG 3.88Å; I710-Y738 PolarHBondContact N-O 2.93Å; I710-L739 HydrophobicContact CG2-CD1 4.24Å; I710-R740 PolarHBondContact O-N 3.33Å
711H96.9Very high94.7Very high11 Ų1120.4 Ų20.45%0.05111%0.106CC..EExtended strand (participates in β ladder)trans-117112.5-175.3-62.279.4000109.8V683 W684 Q688 R740V683-H711 HydrophobicContact CG1-CB 3.88Å; V683-H711 HydrophobicContact CG2-CB 3.94Å; V683-H711 WeakPolarHBondContact CG2-ND1 3.28Å; W684-H711 HydrophobicContact CE3-CB 3.95Å; W684-H711 HydrophobicContact CH2-CB 4.39Å; W684-H711 AromaticContact CH2-CD2 3.92Å; W684-H711 HydrophobicContact CZ3-CB 3.87Å; Q688-H711 WeakPolarHBondContact CG-O 3.17Å; Q688-H711 PolarHBondContact NE2-O 3.11Å; Q688-H711 PolarHBondContact OE1-O 3.35Å; H711-R740 WeakPolarHBondContact CA-O 3.22Å; H711-R740 VanDerWaalsContact CD2-CB 3.45Å; H711-R740 WeakPolarHBondContact CD2-CB 3.22Å
712I92.9Very high94.4Very high17 Ų1721.3 Ų21.39%0.08711%0.113CC..  trans-129.1111.1176.9-62.2169.9000107.2Q688 I710 E714 P715 K719 L720 M723 L739 R740 T741Q688-I712 HydrophobicContact CG-CG1 4.38Å; I710-I712 HydrophobicContact CG2-CD1 4.02Å; I710-I712 HydrophobicContact CG2-CG1 4.02Å; I712-E714 PolarHBondContact O-N 3.37Å; I712-P715 HydrophobicContact CG2-CB 4.28Å; I712-K719 HydrophobicContact CG2-CD 4.4Å; I712-L720 HydrophobicContact CD1-CD2 3.65Å; I712-L720 HydrophobicContact CD1-CG 4.49Å; I712-M723 HydrophobicContact CD1-CE 4.34Å; I712-L739 HydrophobicContact CB-CD1 4.44Å; I712-L739 HydrophobicContact CD1-CD1 4.11Å; I712-L739 HydrophobicContact CG1-CD1 4.39Å; I712-R740 PolarHBondContact N-O 3.18Å; I712-T741 WeakPolarHBondContact O-CA 3.35Å
713A87.9Confident94.3Very high29 Ų2921.6 Ų21.624%0.2412%0.115CC..SBendtrans-57.2-53-175.100000111.6W684 P715 K742W684-A713 HydrophobicContact CE3-CB 4.19Å; A713-P715 WeakPolarHBondContact O-CD 3.45Å; A713-K742 HydrophobicContact CB-CD 4.13Å; A713-K742 HydrophobicContact CB-CG 4.26Å; A713-K742 PolarHBondContact O-N 2.74Å
714E88.1Confident94.3Very high154 Ų15421.4 Ų21.472%0.7211%0.114SC*.SBendtrans-118.490.2177.9-65.5-177.8176.600109.7I712I712-E714 PolarHBondContact O-N 3.37Å
715P87.8Confident94.3Very high37 Ų3721.9 Ų21.924%0.2412%0.116CC..  trans-68.8136.6-178.731.1-38000110.7T398 I712 A713 L720 T741T398-P715 HydrophobicContact CG2-CG 4.11Å; I712-P715 HydrophobicContact CG2-CB 4.28Å; A713-P715 WeakPolarHBondContact O-CD 3.45Å; P715-L720 HydrophobicContact CB-CD1 4.21Å; P715-L720 HydrophobicContact CB-CG 4.4Å; P715-T741 HydrophobicContact CB-CG2 4.19Å; P715-T741 HydrophobicContact CG-CG2 3.66Å
716N90.1Very high94.3Very high47 Ų4725.1 Ų25.125%0.25113%0.128SC..  trans-137165.5163.469.756.2000109.3G718 K719 L720N716-G718 VanDerWaalsContact C-N 3.26Å; N716-G718 PolarHBondContact O-N 3Å; N716-G718 WeakPolarHBondContact OD1-CA 3.33Å; N716-G718 PolarHBondContact OD1-N 3.41Å; N716-K719 PolarHBondContact O-N 3.31Å; N716-K719 PolarHBondContact OD1-N 2.91Å; N716-L720 PolarHBondContact O-N 2.85Å
717Y90Very high94.2Very high31 Ų3124.8 Ų24.812%0.12213%0.126CC..Hα-helixtrans-64.7-32-171.4-71.910.5000112.3Y391 I394 E395 T721 N774Y391-Y717 AromaticContact CD1-CD2 3.47Å; Y391-Y717 HydrophobicContact CD1-CD2 3.47Å; Y391-Y717 VanDerWaalsContact CD1-CD2 3.47Å; Y391-Y717 AromaticContact CD1-CE2 3.67Å; Y391-Y717 HydrophobicContact CD1-CE2 3.67Å; Y391-Y717 AromaticContact CE1-CD2 3.68Å; Y391-Y717 HydrophobicContact CE1-CD2 3.68Å; Y391-Y717 HydrophobicContact CE1-CE2 4.25Å; I394-Y717 HydrophobicContact CD1-CD1 3.81Å; I394-Y717 HydrophobicContact CD1-CD2 3.62Å; I394-Y717 HydrophobicContact CD1-CE1 4.36Å; I394-Y717 HydrophobicContact CD1-CE2 4.16Å; I394-Y717 HydrophobicContact CD1-CG 3.4Å; I394-Y717 HydrophobicContact CG1-CD1 4.04Å; I394-Y717 HydrophobicContact CG1-CD2 4.26Å; I394-Y717 HydrophobicContact CG1-CE1 4.16Å; I394-Y717 HydrophobicContact CG1-CE2 4.34Å; I394-Y717 HydrophobicContact CG1-CG 4.09Å; E395-Y717 WeakPolarHBondContact CB-OH 3.35Å; Y717-T721 WeakPolarHBondContact O-CB 3.48Å; Y717-T721 PolarHBondContact O-N 2.9Å; Y717-T721 PolarHBondContact O-OG1 2.9Å; Y717-N774 HydrophobicContact CD1-CB 4.35Å; Y717-N774 HydrophobicContact CD2-CB 3.77Å; Y717-N774 HydrophobicContact CE2-CB 4.33Å; Y717-N774 HydrophobicContact CG-CB 3.81Å
718G90.6Very high94.2Very high4 Ų426.3 Ų26.34%0.04113%0.131CC..Hα-helixtrans-68.6-46.7174.300000113.3N716 T721 S722N716-G718 VanDerWaalsContact C-N 3.26Å; N716-G718 PolarHBondContact O-N 3Å; N716-G718 WeakPolarHBondContact OD1-CA 3.33Å; N716-G718 PolarHBondContact OD1-N 3.41Å; G718-T721 PolarHBondContact O-N 2.75Å; G718-S722 WeakPolarHBondContact O-CB 3.47Å; G718-S722 PolarHBondContact O-N 2.9Å; G718-S722 PolarHBondContact O-OG 2.66Å
719K90.6Very high94.3Very high51 Ų5131.6 Ų31.622%0.22216%0.155CC..Hα-helixtrans-61.2-47.6176.9-76-171.1178.8-1700110.9I712 N716 S722 M723 M790 S793I712-K719 HydrophobicContact CG2-CD 4.4Å; N716-K719 PolarHBondContact O-N 3.31Å; N716-K719 PolarHBondContact OD1-N 2.91Å; K719-S722 PolarHBondContact O-OG 2.95Å; K719-M723 VanDerWaalsContact O-CB 3.22Å; K719-M723 WeakPolarHBondContact O-CB 3.25Å; K719-M723 PolarHBondContact O-N 2.67Å; K719-M790 WeakPolarHBondContact CE-O 3.46Å; K719-S793 PolarHBondContact NZ-O 3.32Å
720L92.6Very high94.3Very high0 Ų033.4 Ų33.40%016%0.164CC..Hα-helixtrans-63.4-43.6177.8-70.4173.2000112.3I394 T398 I712 P715 N716 M723 H724 L739I394-L720 HydrophobicContact CB-CD1 4.22Å; I394-L720 HydrophobicContact CG2-CB 4.29Å; T398-L720 WeakPolarHBondContact OG1-CD1 3.44Å; I712-L720 HydrophobicContact CD1-CD2 3.65Å; I712-L720 HydrophobicContact CD1-CG 4.49Å; P715-L720 HydrophobicContact CB-CD1 4.21Å; P715-L720 HydrophobicContact CB-CG 4.4Å; N716-L720 PolarHBondContact O-N 2.85Å; L720-M723 HydrophobicContact CD2-CE 4.2Å; L720-M723 PolarHBondContact O-N 2.89Å; L720-H724 PolarHBondContact O-CD2 3.22Å; L720-H724 PolarHBondContact O-N 2.06Å; L720-L739 HydrophobicContact CD1-CD2 4.28Å; L720-L739 HydrophobicContact CD2-CD1 3.7Å; L720-L739 HydrophobicContact CD2-CD2 3.59Å; L720-L739 HydrophobicContact CD2-CG 4.31Å
721T95.1Very high94.3Very high1 Ų134.3 Ų34.31%0.00617%0.173CC..Hα-helixtrans-63.4-52.4179.5-62.30000111.2W390 Y717 G718 M723 H724 F725 M778 L782W390-T721 HydrophobicContact CZ2-CG2 4.44Å; W390-T721 PolarHBondContact NE1-OG1 2.99Å; Y717-T721 WeakPolarHBondContact O-CB 3.48Å; Y717-T721 PolarHBondContact O-N 2.9Å; Y717-T721 PolarHBondContact O-OG1 2.9Å; G718-T721 PolarHBondContact O-N 2.75Å; T721-M723 VanDerWaalsContact C-N 3.27Å; T721-M723 PolarHBondContact O-N 3.03Å; T721-H724 PolarHBondContact O-N 3.43Å; T721-F725 HydrophobicContact CG2-CD2 3.69Å; T721-F725 HydrophobicContact CG2-CE2 3.88Å; T721-F725 WeakPolarHBondContact O-CD2 3.13Å; T721-F725 PolarHBondContact O-N 3.47Å; T721-M778 HydrophobicContact CG2-CG 3.99Å; T721-M778 WeakPolarHBondContact OG1-CG 3.44Å; T721-L782 HydrophobicContact CG2-CD1 4.47Å; T721-L782 HydrophobicContact CG2-CD2 3.72Å; T721-L782 HydrophobicContact CG2-CG 4.02Å
722S93.9Very high94.4Very high26 Ų2633.9 Ų33.918%0.18217%0.171CC..Hα-helixtrans-59.1-38.817962.20000112.7G718 K719 Y726G718-S722 WeakPolarHBondContact O-CB 3.47Å; G718-S722 PolarHBondContact O-N 2.9Å; G718-S722 PolarHBondContact O-OG 2.66Å; K719-S722 PolarHBondContact O-OG 2.95Å; S722-Y726 WeakPolarHBondContact O-CB 3.43Å; S722-Y726 PolarHBondContact O-N 3.28Å
723M96.1Very high94.7Very high9 Ų933.4 Ų33.44%0.04417%0.168CC..Hα-helixtrans-62.3-51.2176.7-179.9-80.4-66.800111.9L692 I710 I712 K719 L720 T721 Y726 G727 M736L692-M723 HydrophobicContact CD1-CG 3.81Å; L692-M723 WeakPolarHBondContact CD1-O 3.45Å; L692-M723 HydrophobicContact CD1-SD 4.17Å; I710-M723 HydrophobicContact CB-CE 4.35Å; I710-M723 HydrophobicContact CB-SD 4.38Å; I710-M723 HydrophobicContact CD1-SD 4.19Å; I710-M723 HydrophobicContact CG1-CE 4.36Å; I710-M723 HydrophobicContact CG1-SD 3.86Å; I710-M723 HydrophobicContact CG2-CE 3.79Å; I710-M723 HydrophobicContact CG2-CG 4.03Å; I710-M723 HydrophobicContact CG2-SD 3.89Å; I712-M723 HydrophobicContact CD1-CE 4.34Å; K719-M723 VanDerWaalsContact O-CB 3.22Å; K719-M723 WeakPolarHBondContact O-CB 3.25Å; K719-M723 PolarHBondContact O-N 2.67Å; L720-M723 HydrophobicContact CD2-CE 4.2Å; L720-M723 PolarHBondContact O-N 2.89Å; T721-M723 VanDerWaalsContact C-N 3.27Å; T721-M723 PolarHBondContact O-N 3.03Å; M723-Y726 PolarHBondContact O-N 2.92Å; M723-G727 PolarHBondContact O-N 3.44Å; M723-M736 HydrophobicContact CE-SD 4.16Å
724H98.3Very high95.2Very high1 Ų132.1 Ų32.11%0.00516%0.158CC..Hα-helixtrans-63.8-44.5178.8-73.3-52.5000112.4W390 Q397 Y407 L720 T721 Y726 G727 W728W390-H724 HydrophobicContact CH2-CB 3.57Å; W390-H724 AromaticContact CH2-CD2 3.88Å; W390-H724 AromaticContact CH2-CG 3.92Å; W390-H724 HydrophobicContact CZ2-CB 3.78Å; W390-H724 AromaticContact CZ2-CD2 3.82Å; Q397-H724 PolarHBondContact OE1-NE2 3.31Å; Y407-H724 PolarHBondContact OH-O 3.41Å; L720-H724 PolarHBondContact O-CD2 3.22Å; L720-H724 PolarHBondContact O-N 2.06Å; T721-H724 PolarHBondContact O-N 3.43Å; H724-Y726 VanDerWaalsContact C-N 3.29Å; H724-Y726 PolarHBondContact O-N 3.32Å; H724-G727 PolarHBondContact O-N 3.33Å; H724-W728 WeakPolarHBondContact O-CB 3.24Å; H724-W728 PolarHBondContact O-N 3.23Å
725F98.5Very high95.7Very high10 Ų1024.8 Ų24.84%0.04412%0.124CC..Hα-helixtrans-65.6-33.8177.9-87.9-87.3000112.4M339 V342 E343 W390 T721 W728 K729 L782M339-F725 HydrophobicContact CB-CE1 4.41Å; M339-F725 HydrophobicContact CE-CD1 4.01Å; M339-F725 HydrophobicContact CE-CD2 4.12Å; M339-F725 HydrophobicContact CE-CE1 3.83Å; M339-F725 HydrophobicContact CE-CE2 3.98Å; M339-F725 HydrophobicContact CE-CG 4.15Å; M339-F725 HydrophobicContact CE-CZ 3.83Å; M339-F725 WeakPolarHBondContact O-CE1 3.46Å; V342-F725 HydrophobicContact CB-CZ 3.86Å; V342-F725 HydrophobicContact CG1-CE2 3.82Å; V342-F725 HydrophobicContact CG1-CZ 3.56Å; E343-F725 HydrophobicContact CB-CE1 3.77Å; E343-F725 HydrophobicContact CB-CZ 4.28Å; W390-F725 HydrophobicContact CH2-CE2 4.26Å; W390-F725 HydrophobicContact CZ2-CD2 4.14Å; W390-F725 AromaticContact CZ2-CE2 3.9Å; W390-F725 HydrophobicContact CZ2-CE2 3.9Å; T721-F725 HydrophobicContact CG2-CD2 3.69Å; T721-F725 HydrophobicContact CG2-CE2 3.88Å; T721-F725 WeakPolarHBondContact O-CD2 3.13Å; T721-F725 PolarHBondContact O-N 3.47Å; F725-W728 AromaticContact CD1-CE3 3.8Å; F725-W728 HydrophobicContact CD1-CE3 3.8Å; F725-W728 HydrophobicContact CD1-CZ3 4.03Å; F725-W728 HydrophobicContact CE1-CE3 4.16Å; F725-W728 HydrophobicContact CE1-CZ3 4.12Å; F725-K729 VanDerWaalsContact O-CB 3.31Å; F725-K729 WeakPolarHBondContact O-CB 3.23Å; F725-K729 VanDerWaalsContact O-CG 3.23Å; F725-K729 WeakPolarHBondContact O-CG 3.48Å; F725-K729 PolarHBondContact O-N 3.43Å; F725-L782 HydrophobicContact CD2-CD2 4.13Å; F725-L782 HydrophobicContact CE2-CD2 3.98Å; F725-L782 HydrophobicContact CZ-CD2 4.27Å
726Y98.5Very high96.2Very high73 Ų7323 Ų2329%0.28611%0.112SC..Hα-helixtrans-65.2-48.2174-173.5-105.7000111.2K689 L692 S722 M723 H724 W728 K729 L730K689-Y726 HydrophobicContact CB-CD1 4.23Å; K689-Y726 HydrophobicContact CB-CE1 3.85Å; K689-Y726 HydrophobicContact CG-CD1 4.06Å; K689-Y726 HydrophobicContact CG-CE1 4.14Å; K689-Y726 HydrophobicContact CG-CG 4.41Å; K689-Y726 WeakPolarHBondContact O-CE1 3.07Å; L692-Y726 HydrophobicContact CB-CD1 3.94Å; L692-Y726 HydrophobicContact CB-CE1 4.07Å; L692-Y726 HydrophobicContact CD1-CD1 3.85Å; S722-Y726 WeakPolarHBondContact O-CB 3.43Å; S722-Y726 PolarHBondContact O-N 3.28Å; M723-Y726 PolarHBondContact O-N 2.92Å; H724-Y726 VanDerWaalsContact C-N 3.29Å; H724-Y726 PolarHBondContact O-N 3.32Å; Y726-W728 PolarHBondContact O-N 3.27Å; Y726-K729 PolarHBondContact O-N 3.02Å; Y726-L730 HydrophobicContact CD1-CD1 3.76Å; Y726-L730 HydrophobicContact CD1-CG 4.41Å; Y726-L730 HydrophobicContact CE1-CD1 3.36Å; Y726-L730 HydrophobicContact CE1-CG 4.15Å; Y726-L730 WeakPolarHBondContact O-CG 2.94Å; Y726-L730 PolarHBondContact O-N 3.23Å
727G98.4Very high96.6Very high0 Ų021.7 Ų21.70%010%0.104CC..Hα-helixtrans-59.8-43.4176.200000113.4M723 H724 L730 G731 L732M723-G727 PolarHBondContact O-N 3.44Å; H724-G727 PolarHBondContact O-N 3.33Å; G727-L730 PolarHBondContact O-N 2.9Å; G727-G731 PolarHBondContact O-N 2.7Å; G727-L732 WeakPolarHBondContact O-CB 3.21Å; G727-L732 WeakPolarHBondContact O-CG 3.11Å; G727-L732 PolarHBondContact O-N 3.42Å; G727-L732 VanDerWaalsContact O-N 3.1Å
728W98.7Very high97Very high34 Ų3421.8 Ų21.813%0.12910%0.104CC..Hα-helixtrans-60.5-48.9174.4174.857.3000112.3D336 M339 K340 Y407 H724 F725 Y726 L730 G731D336-W728 HydrophobicContact CB-CZ2 4.32Å; D336-W728 PolarHBondContact OD1-NE1 2.86Å; M339-W728 HydrophobicContact CB-CD2 3.69Å; M339-W728 HydrophobicContact CB-CE3 3.89Å; M339-W728 HydrophobicContact CB-CG 4.34Å; M339-W728 HydrophobicContact CB-CH2 3.86Å; M339-W728 HydrophobicContact CB-CZ2 3.65Å; M339-W728 HydrophobicContact CB-CZ3 3.98Å; M339-W728 HydrophobicContact CE-CB 4.07Å; M339-W728 HydrophobicContact CE-CD2 4.26Å; M339-W728 HydrophobicContact CE-CE3 4.31Å; M339-W728 HydrophobicContact CE-CG 4.15Å; M339-W728 HydrophobicContact CG-CD2 3.97Å; M339-W728 HydrophobicContact CG-CG 4.08Å; K340-W728 HydrophobicContact CG-CH2 3.99Å; K340-W728 HydrophobicContact CG-CZ2 4.21Å; Y407-W728 HydrophobicContact CD1-CB 4.28Å; Y407-W728 AromaticContact CD1-CD1 3.54Å; Y407-W728 HydrophobicContact CD1-CG 4.17Å; Y407-W728 HydrophobicContact CE1-CB 3.66Å; Y407-W728 AromaticContact CE1-CD1 3.79Å; Y407-W728 AromaticContact CE1-CG 3.95Å; Y407-W728 HydrophobicContact CE1-CG 3.95Å; Y407-W728 HydrophobicContact CE2-CB 4.07Å; Y407-W728 AromaticContact CG-CD1 3.95Å; H724-W728 WeakPolarHBondContact O-CB 3.24Å; H724-W728 PolarHBondContact O-N 3.23Å; F725-W728 AromaticContact CD1-CE3 3.8Å; F725-W728 HydrophobicContact CD1-CE3 3.8Å; F725-W728 HydrophobicContact CD1-CZ3 4.03Å; F725-W728 HydrophobicContact CE1-CE3 4.16Å; F725-W728 HydrophobicContact CE1-CZ3 4.12Å; Y726-W728 PolarHBondContact O-N 3.27Å; W728-L730 VanDerWaalsContact C-N 3.29Å; W728-L730 PolarHBondContact O-N 3.03Å; W728-G731 WeakPolarHBondContact O-CA 3.38Å; W728-G731 PolarHBondContact O-N 3.3Å
729K98.6Very high97.3Very high113 Ų11321.9 Ų21.949%0.49110%0.104SC..Hα-helixtrans-67.3-28.1-179.3-74.9175.2178.3176.90113.4E343 F725 Y726 G731E343-K729 IonicContact OE1-NZ 3.79Å; E343-K729 PolarHBondContact OE1-NZ 3.01Å; E343-K729 IonicContact OE2-NZ 3.82Å; F725-K729 VanDerWaalsContact O-CB 3.31Å; F725-K729 WeakPolarHBondContact O-CB 3.23Å; F725-K729 VanDerWaalsContact O-CG 3.23Å; F725-K729 WeakPolarHBondContact O-CG 3.48Å; F725-K729 PolarHBondContact O-N 3.43Å; Y726-K729 PolarHBondContact O-N 3.02Å; K729-G731 PolarHBondContact O-N 2.95Å
730L98.3Very high97.5Very high53 Ų5324.5 Ų24.528%0.27711%0.112SC..THydrogen-bonded Turntrans-69.5-11.8168.8-73.6177.5000112.8W571 L692 A696 Y726 G727 W728W571-L730 WeakPolarHBondContact CZ3-O 3.45Å; L692-L730 HydrophobicContact CB-CD1 4.15Å; A696-L730 HydrophobicContact CB-CB 3.89Å; A696-L730 HydrophobicContact CB-CD1 4.1Å; A696-L730 HydrophobicContact CB-CG 4.42Å; Y726-L730 HydrophobicContact CD1-CD1 3.76Å; Y726-L730 HydrophobicContact CD1-CG 4.41Å; Y726-L730 HydrophobicContact CE1-CD1 3.36Å; Y726-L730 HydrophobicContact CE1-CG 4.15Å; Y726-L730 WeakPolarHBondContact O-CG 2.94Å; Y726-L730 PolarHBondContact O-N 3.23Å; G727-L730 PolarHBondContact O-N 2.9Å; W728-L730 VanDerWaalsContact C-N 3.29Å; W728-L730 PolarHBondContact O-N 3.03Å
731G98.4Very high97.4Very high19 Ų1927.2 Ų27.220%0.19613%0.129CC..THydrogen-bonded Turntrans82.422.2-179.300000113.4K414 W571 G727 W728 K729K414-G731 PolarHBondContact NZ-O 3.34Å; W571-G731 WeakPolarHBondContact CH2-O 3.36Å; W571-G731 WeakPolarHBondContact CZ3-O 3.36Å; G727-G731 PolarHBondContact O-N 2.7Å; W728-G731 WeakPolarHBondContact O-CA 3.38Å; W728-G731 PolarHBondContact O-N 3.3Å; K729-G731 PolarHBondContact O-N 2.95Å
732L98.8Very high96.9Very high2 Ų231.1 Ų31.11%0.0115%0.146CC..  trans-56150.6175.5-67.8177.7000111.3Y407 A410 L692 A695 A696 L708 G727Y407-L732 WeakPolarHBondContact CD2-O 2.99Å; A410-L732 WeakPolarHBondContact CB-O 3.28Å; L692-L732 HydrophobicContact CB-CD1 4.5Å; L692-L732 HydrophobicContact CD2-CD1 3.39Å; A695-L732 HydrophobicContact CB-CD2 4.04Å; A696-L732 HydrophobicContact CB-CD2 3.96Å; L708-L732 HydrophobicContact CD2-CD1 3.99Å; G727-L732 WeakPolarHBondContact O-CB 3.21Å; G727-L732 WeakPolarHBondContact O-CG 3.11Å; G727-L732 PolarHBondContact O-N 3.42Å; G727-L732 VanDerWaalsContact O-N 3.1Å
733K98.9Very high95.8Very high7 Ų734.3 Ų34.33%0.0317%0.166CC..SBendtrans-85.7-51171.1-74.1174.8175.6-178.20110.2L406 Y407 A410 K414 D703 Q704 S705L406-K733 CarbonylContact C-O 3.53Å; L406-K733 WeakPolarHBondContact CA-O 3.39Å; Y407-K733 PolarHBondContact N-O 3.47Å; A410-K733 HydrophobicContact CB-CG 4.33Å; K414-K733 WeakPolarHBondContact O-CE 3.17Å; K414-K733 PolarHBondContact O-NZ 3.48Å; D703-K733 PolarHBondContact O-NZ 3.31Å; Q704-K733 WeakPolarHBondContact O-CD 3.34Å; Q704-K733 WeakPolarHBondContact O-CE 3.49Å; Q704-K733 PolarHBondContact O-NZ 3.04Å; S705-K733 WeakPolarHBondContact OG-CB 3.31Å
734T98.8Very high93.9Very high2 Ų239.4 Ų39.41%0.01221%0.209CC..EExtended strand (participates in β ladder)trans-102110168.1-60.20000108.6T430 S705 Q706T430-T734 PolarHBondContact O-OG1 2.83Å; T430-T734 WeakPolarHBondContact OG1-CG2 3.38Å; S705-T734 VanDerWaalsContact OG-CB 3.3Å; S705-T734 WeakPolarHBondContact OG-CB 2.99Å; S705-T734 PolarHBondContact OG-N 2.9Å; S705-T734 PolarHBondContact OG-OG1 2.78Å; Q706-T734 WeakPolarHBondContact O-CB 3.41Å
735G98.3Very high91.6Very high1 Ų142.9 Ų42.91%0.0124%0.238CC..EExtended strand (participates in β ladder)trans-76.1-35.4174.900000112.2M405M405-G735 PolarHBondContact O-N 2.92Å
736M98.6Very high89.4Confident0 Ų047.5 Ų47.50%026%0.263CS..EExtended strand (participates in β ladder)trans-157.3129.1179.4-169.8-177.178.700111.4Q397 M405 I710 M723 L739Q397-M736 HydrophobicContact CG-CE 3.86Å; Q397-M736 VanDerWaalsContact NE2-CE 3.26Å; M405-M736 HydrophobicContact CB-CB 4.05Å; M405-M736 HydrophobicContact CG-CB 4.18Å; M405-M736 HydrophobicContact CG-CE 4.27Å; M405-M736 PolarHBondContact N-O 3.38Å; M405-M736 PolarHBondContact O-N 2.82Å; I710-M736 HydrophobicContact CB-CG 4.13Å; I710-M736 HydrophobicContact CB-SD 4.4Å; I710-M736 HydrophobicContact CG1-CB 4.34Å; I710-M736 HydrophobicContact CG1-CG 3.88Å; M723-M736 HydrophobicContact CE-SD 4.16Å; M736-L739 HydrophobicContact CE-CB 3.96Å; M736-L739 HydrophobicContact SD-CB 3.66Å; M736-L739 HydrophobicContact SD-CD1 4.31Å
737Y98.5Very high86.8Confident18 Ų1849 Ų497%0.07128%0.282CS..SBendtrans-80.9-94.6163.1-178.5-150.2000108.8Y404 C429 T430 P603 L708 N709Y404-Y737 HydrophobicContact CD1-CD2 4.02Å; Y404-Y737 HydrophobicContact CD1-CE2 4.47Å; Y404-Y737 WeakPolarHBondContact CD1-O 3.43Å; Y404-Y737 HydrophobicContact CD2-CD2 4.29Å; Y404-Y737 HydrophobicContact CD2-CE2 4.43Å; Y404-Y737 AromaticContact CE1-CD2 3.8Å; Y404-Y737 HydrophobicContact CE1-CD2 3.8Å; Y404-Y737 AromaticContact CE1-CE2 3.83Å; Y404-Y737 HydrophobicContact CE1-CE2 3.83Å; Y404-Y737 HydrophobicContact CE2-CD2 4.14Å; Y404-Y737 AromaticContact CE2-CE2 3.85Å; Y404-Y737 HydrophobicContact CE2-CE2 3.85Å; Y404-Y737 HydrophobicContact CG-CD2 4.24Å; Y404-Y737 AromaticContact CZ-CD2 3.88Å; Y404-Y737 AromaticContact CZ-CE2 3.49Å; Y404-Y737 VanDerWaalsContact CZ-CE2 3.49Å; C429-Y737 PolarHBondContact SG-OH 3.11Å; T430-Y737 HydrophobicContact CG2-CD2 3.78Å; T430-Y737 HydrophobicContact CG2-CE2 4.37Å; P603-Y737 HydrophobicContact CG-CD1 4.42Å; P603-Y737 HydrophobicContact CG-CE1 3.74Å; L708-Y737 PolarHBondContact O-N 3.25Å; N709-Y737 WeakPolarHBondContact OD1-CD1 3.39Å
738Y97.9Very high84.1Confident33 Ų3355.9 Ų55.913%0.12932%0.317CS..  trans-95.2142.7169.7-70.5-78.7000112.5F329 T402 Y404 N709 I710F329-Y738 HydrophobicContact CD1-CE1 4.44Å; F329-Y738 WeakPolarHBondContact CD1-OH 3.42Å; F329-Y738 HydrophobicContact CE1-CE1 4.45Å; F329-Y738 WeakPolarHBondContact CE1-OH 3.47Å; T402-Y738 HydrophobicContact CG2-CD1 3.99Å; T402-Y738 HydrophobicContact CG2-CE1 3.85Å; Y404-Y738 AromaticContact CE1-CD1 3.97Å; Y404-Y738 HydrophobicContact CE1-CD1 3.97Å; Y404-Y738 AromaticContact CE1-CE1 3.69Å; Y404-Y738 HydrophobicContact CE1-CE1 3.69Å; Y404-Y738 HydrophobicContact CE1-CE2 4.38Å; Y404-Y738 HydrophobicContact CE1-CG 4.42Å; Y404-Y738 AromaticContact CE1-CZ 3.91Å; Y404-Y738 VanDerWaalsContact OH-CZ 3.25Å; Y404-Y738 PolarHBondContact OH-OH 3.35Å; N709-Y738 WeakPolarHBondContact CA-O 3.49Å; N709-Y738 WeakPolarHBondContact OD1-CB 3.34Å; N709-Y738 PolarHBondContact OD1-N 2.93Å; I710-Y738 PolarHBondContact N-O 2.93Å
739L97.4Very high81.7Confident6 Ų657.5 Ų57.53%0.03133%0.326CS..EExtended strand (participates in β ladder)trans-81.4125.3154.5-176.965.3000109Q397 G401 I710 I712 L720 M736 T741Q397-L739 HydrophobicContact CB-CD2 4.09Å; G401-L739 PolarHBondContact O-N 3.49Å; G401-L739 VanDerWaalsContact O-N 3.12Å; I710-L739 HydrophobicContact CG2-CD1 4.24Å; I712-L739 HydrophobicContact CB-CD1 4.44Å; I712-L739 HydrophobicContact CD1-CD1 4.11Å; I712-L739 HydrophobicContact CG1-CD1 4.39Å; L720-L739 HydrophobicContact CD1-CD2 4.28Å; L720-L739 HydrophobicContact CD2-CD1 3.7Å; L720-L739 HydrophobicContact CD2-CD2 3.59Å; L720-L739 HydrophobicContact CD2-CG 4.31Å; M736-L739 HydrophobicContact CE-CB 3.96Å; M736-L739 HydrophobicContact SD-CB 3.66Å; M736-L739 HydrophobicContact SD-CD1 4.31Å; L739-T741 HydrophobicContact CD2-CG2 4.11Å; L739-T741 HydrophobicContact CG-CG2 4Å
740R95.1Very high78.9Confident107 Ų10760.3 Ų60.340%0.40434%0.339SS..EExtended strand (participates in β ladder)trans-111128.9173.7-57.8-60.5-170.9-176.5-1.3109.1W684 I710 H711 I712W684-R740 HydrophobicContact CH2-CB 4.03Å; W684-R740 WeakPolarHBondContact CZ3-O 3.29Å; I710-R740 PolarHBondContact O-N 3.33Å; H711-R740 WeakPolarHBondContact CA-O 3.22Å; H711-R740 VanDerWaalsContact CD2-CB 3.45Å; H711-R740 WeakPolarHBondContact CD2-CB 3.22Å; I712-R740 PolarHBondContact N-O 3.18Å
741T91.3Very high76.3Confident56 Ų5659.3 Ų59.334%0.34434%0.335SS..  trans-125.3158.8-178.461.10000110.2I712 P715 L739I712-T741 WeakPolarHBondContact O-CA 3.35Å; P715-T741 HydrophobicContact CB-CG2 4.19Å; P715-T741 HydrophobicContact CG-CG2 3.66Å; L739-T741 HydrophobicContact CD2-CG2 4.11Å; L739-T741 HydrophobicContact CG-CG2 4Å
742K83.6Confident73.6Confident83 Ų8366.9 Ų66.936%0.36137%0.37SS..  trans-91.1142.5169.2-70.9-170.4-177.2176.50109.3W684 A713W684-K742 VanDerWaalsContact CD1-CE 3.4Å; W684-K742 HydrophobicContact CD2-CD 4.27Å; W684-K742 HydrophobicContact CD2-CG 4.12Å; W684-K742 HydrophobicContact CE3-CD 4.48Å; W684-K742 HydrophobicContact CE3-CG 4.02Å; W684-K742 HydrophobicContact CG-CD 4.5Å; W684-K742 HydrophobicContact CH2-CG 4.05Å; W684-K742 HydrophobicContact CZ2-CG 4.16Å; W684-K742 HydrophobicContact CZ3-CG 3.98Å; A713-K742 HydrophobicContact CB-CD 4.13Å; A713-K742 HydrophobicContact CB-CG 4.26Å; A713-K742 PolarHBondContact O-N 2.74Å
743P71.6Confident70.9Confident94 Ų9473.3 Ų73.361%0.6141%0.405SS*.  trans-57.9140171.3-21.532.4000111.2A745P743-A745 PolarHBondContact O-N 2.92Å
744A54.8Low68.1Low115 Ų11580.2 Ų80.295%0.9543%0.434SS*.SBendtrans-66-20.6179.600000113.9
745A51.1Low65.3Low74 Ų7489.1 Ų89.161%0.61248%0.476SS*.SBendtrans-121.6120.5173.100000109.2P743P743-A745 PolarHBondContact O-N 2.92Å
746N52.8Low62.6Low107 Ų10798.7 Ų98.757%0.57252%0.517SS*.  trans-68.7127.7169.8-75.7-31000108.5I748N746-I748 PolarHBondContact O-N 2.97Å
747P43.9Very low59.6Low105 Ų105104.6 Ų104.668%0.68255%0.548SS*.  trans-54.3132.6164.9-15.427.1000107.6Q749P747-Q749 PolarHBondContact O-N 3.12Å
748I41.6Very low56.2Low145 Ų145113.1 Ų113.174%0.74459%0.585SS**  trans-52.8109.4174.8-62.5170.7000107.2N746 F750N746-I748 PolarHBondContact O-N 2.97Å; I748-F750 PolarHBondContact O-N 3Å
749Q47.4Very low52.9Low68 Ų68120.7 Ų120.732%0.31862%0.622SS.*  trans-68.8117175.3-67.3-172.4-9.300107.3I660 N663 P747 T751I660-Q749 PolarHBondContact O-NE2 3.35Å; I660-Q749 PolarHBondContact O-OE1 2.77Å; N663-Q749 PolarHBondContact OD1-NE2 3.23Å; P747-Q749 PolarHBondContact O-N 3.12Å; Q749-T751 PolarHBondContact O-N 2.66Å
750F40.3Very low49.6Very low172 Ų172125.6 Ų125.675%0.75466%0.657SS**  trans-72.881173-76.7-92.8000108.9I748I748-F750 PolarHBondContact O-N 3Å
751T44.2Very low46.3Very low31 Ų31129.5 Ų129.519%0.1968%0.68CS.*  trans-83.3142.6164.355.60000109.3I660 Q749 N753I660-T751 HydrophobicContact CG2-CG2 3.96Å; Q749-T751 PolarHBondContact O-N 2.66Å; T751-N753 PolarHBondContact O-N 3.45Å
752L41.2Very low43.3Very low179 Ų179132.8 Ų132.894%0.93771%0.705SS**SBendtrans-75.461.3177.7-79.1158.9000110.6
753N42.6Very low40.7Very low137 Ų137133.3 Ų133.373%0.73373%0.725SS**  trans178.798152.4-104-30.2000109.8T751 E755T751-N753 PolarHBondContact O-N 3.45Å; N753-E755 VanDerWaalsContact C-N 3.3Å; N753-E755 PolarHBondContact O-N 3.4Å
754K40.3Very low38.7Very low151 Ų151138.5 Ų138.566%0.65774%0.738SS**G310 helixtrans-78.3-3-170.7-74.5-178.5174.3178.40115.2K756K754-K756 PolarHBondContact O-N 2.92Å
755E39.8Very low37.9Very low189 Ų189138.4 Ų138.488%0.88373%0.73SS**G310 helixtrans-82.2-8.3-168.4-67.8-169.5160.200115N753N753-E755 VanDerWaalsContact C-N 3.3Å; N753-E755 PolarHBondContact O-N 3.4Å
756K40.8Very low37.4Very low203 Ų203139.8 Ų139.888%0.88373%0.727SS**G310 helixtrans-111.24-176.6-77.8-171.5175.6-177.20116.7K754K754-K756 PolarHBondContact O-N 2.92Å
757L35.2Very low36.8Very low124 Ų124143.2 Ų143.265%0.64974%0.739SS**  trans-126.638.9-167.2-81.6164.2000115.1
758K28.4Very low36.6Very low196 Ų196146.6 Ų146.685%0.85275%0.746SS**  trans-120.8102.3173.5-79.8-174.5176-179.60111.4
759E28.3Very low36.9Very low192 Ų192145.3 Ų145.390%0.89774%0.737SS**  trans-168148.4132.8-107.4169.3-159.200111.9
760S27.8Very low37.2Very low109 Ų109144.2 Ų144.276%0.76274%0.737SS**  trans84.9109.3177.281.40000117.4
761Q26.5Very low37.8Very low189 Ų189144.5 Ų144.588%0.88373%0.733SS**  178.4128.9114.6-93176.28.500110.2
762S27.6Very low38.4Very low126 Ų126150.2 Ų150.288%0.88176%0.758SS**  trans-122.1133.6159.860.90000107.7
763A29.2Very low39.6Very low94 Ų94148.1 Ų148.178%0.77774%0.737SS**  trans-136.2133.4178.100000109.8
764K28.6Very low40.9Very low202 Ų202143.5 Ų143.588%0.87871%0.712SS**  trans-156.2143.9155.7-111.4179.5-174.4-176.10112.6
765S38.7Very low41.9Very low113 Ų113138.8 Ų138.879%0.7970%0.696SS**  trans64.799.9168.859.50000118.9
766L40.3Very low43Very low103 Ų103132.7 Ų132.754%0.53968%0.678SS.*  trans-140.53.8-174.9-87.8166.8000117.3S770 R773L766-S770 WeakPolarHBondContact O-CB 3.4Å; L766-S770 PolarHBondContact O-N 3.11Å; L766-S770 VanDerWaalsContact O-N 3.17Å; L766-S770 PolarHBondContact O-OG 3.49Å; L766-R773 VanDerWaalsContact CD2-NH2 3.27Å
767E40.6Very low44.3Very low179 Ų179124.7 Ų124.784%0.83665%0.65SS**Hα-helixtrans-74.3-47.1-168.5-79.1177.2163.600114.8S770E767-S770 PolarHBondContact O-OG 3.04Å
768E38.9Very low46.1Very low177 Ų177118.8 Ų118.883%0.82762%0.619SS**Hα-helixtrans-74.6-41.5-179.2-79.9178.1153.600113.3S770 R771E768-S770 VanDerWaalsContact C-N 3.27Å; E768-S770 PolarHBondContact O-N 3.08Å; E768-R771 PolarHBondContact O-N 3Å
769E47.6Very low48.1Very low117 Ų117113 Ų11355%0.54760%0.6SS.*Hα-helixtrans-65.9-27.5175.3-77.5-172.5172.300113.2R771 R773E769-R771 VanDerWaalsContact C-N 3.33Å; E769-R773 WeakPolarHBondContact O-CB 3.5Å; E769-R773 WeakPolarHBondContact O-CG 3.33Å; E769-R773 PolarHBondContact O-N 3.21Å; E769-R773 PolarHBondContact O-NE 3.27Å; E769-R773 IonicContact OE2-CZ 3.27Å; E769-R773 IonicContact OE2-NH2 3.93Å; E769-R773 PolarHBondContact OE2-NH2 2.81Å
770S55.1Low49.9Very low45 Ų45106.9 Ų106.932%0.31558%0.578SS.*Hα-helixtrans-67.4-35.9176.775.70000111.7L766 E767 E768 R773 N774L766-S770 WeakPolarHBondContact O-CB 3.4Å; L766-S770 PolarHBondContact O-N 3.11Å; L766-S770 VanDerWaalsContact O-N 3.17Å; L766-S770 PolarHBondContact O-OG 3.49Å; E767-S770 PolarHBondContact O-OG 3.04Å; E768-S770 VanDerWaalsContact C-N 3.27Å; E768-S770 PolarHBondContact O-N 3.08Å; S770-R773 PolarHBondContact O-N 3.39Å; S770-N774 WeakPolarHBondContact O-CB 3.43Å; S770-N774 PolarHBondContact O-N 2.79Å; S770-N774 PolarHBondContact O-ND2 2.7Å; S770-N774 VanDerWaalsContact O-ND2 3.15Å
771R52.5Low51.9Low178 Ų178102.8 Ų102.867%0.67255%0.549SS*.Hα-helixtrans-69.6-43-176.7-167.2176.4-177.6171.24.4111.5E768 E769 N774 T775E768-R771 PolarHBondContact O-N 3Å; E769-R771 VanDerWaalsContact C-N 3.33Å; R771-N774 PolarHBondContact O-N 2.69Å; R771-T775 WeakPolarHBondContact O-CB 2.95Å; R771-T775 PolarHBondContact O-N 3.33Å; R771-T775 PolarHBondContact O-OG1 2.63Å
772E57.2Low53.9Low152 Ų15294.9 Ų94.971%0.7151%0.513SS*.Hα-helixtrans-66.5-43.7175.5-68.4-173.5165.500111.7N774 T775 A776E772-N774 PolarHBondContact O-N 3.01Å; E772-T775 PolarHBondContact O-N 3.44Å; E772-A776 PolarHBondContact O-N 2.74Å
773R64.9Low55.5Low135 Ų13592.1 Ų92.151%0.50950%0.498SS..Hα-helixtrans-61.3-42.5174.5-78.9-173.9-99175.6-11.9112.6L766 E769 S770 A776 A777L766-R773 VanDerWaalsContact CD2-NH2 3.27Å; E769-R773 WeakPolarHBondContact O-CB 3.5Å; E769-R773 WeakPolarHBondContact O-CG 3.33Å; E769-R773 PolarHBondContact O-N 3.21Å; E769-R773 PolarHBondContact O-NE 3.27Å; E769-R773 IonicContact OE2-CZ 3.27Å; E769-R773 IonicContact OE2-NH2 3.93Å; E769-R773 PolarHBondContact OE2-NH2 2.81Å; S770-R773 PolarHBondContact O-N 3.39Å; R773-A776 PolarHBondContact O-N 3.13Å; R773-A777 WeakPolarHBondContact O-CB 3.41Å; R773-A777 PolarHBondContact O-N 2.7Å
774N71.2Confident56.8Low40 Ų4091.5 Ų91.521%0.21448%0.481CS..Hα-helixtrans-66-39.2177.4-78-25.5000112Y717 S770 R771 E772 A777 M778Y717-N774 HydrophobicContact CD1-CB 4.35Å; Y717-N774 HydrophobicContact CD2-CB 3.77Å; Y717-N774 HydrophobicContact CE2-CB 4.33Å; Y717-N774 HydrophobicContact CG-CB 3.81Å; S770-N774 WeakPolarHBondContact O-CB 3.43Å; S770-N774 PolarHBondContact O-N 2.79Å; S770-N774 PolarHBondContact O-ND2 2.7Å; S770-N774 VanDerWaalsContact O-ND2 3.15Å; R771-N774 PolarHBondContact O-N 2.69Å; E772-N774 PolarHBondContact O-N 3.01Å; N774-A777 PolarHBondContact O-N 3.5Å; N774-M778 PolarHBondContact O-N 2.91Å
775T61.8Low57.9Low52 Ų5288.6 Ų88.632%0.31947%0.469SS..Hα-helixtrans-62.6-46.8174.6-56.60000110.5Y391 R771 E772 A777 M778 V779Y391-T775 WeakPolarHBondContact OH-CG2 3.3Å; R771-T775 WeakPolarHBondContact O-CB 2.95Å; R771-T775 PolarHBondContact O-N 3.33Å; R771-T775 PolarHBondContact O-OG1 2.63Å; E772-T775 PolarHBondContact O-N 3.44Å; T775-A777 PolarHBondContact O-N 3.09Å; T775-M778 PolarHBondContact O-N 3.27Å; T775-V779 WeakPolarHBondContact O-CG2 3.39Å; T775-V779 PolarHBondContact O-N 3Å
776A62.9Low58.1Low61 Ų6191 Ų9150%0.50447%0.472SS..Hα-helixtrans-62.3-4217700000112.5E772 R773 M778 V779 C780E772-A776 PolarHBondContact O-N 2.74Å; R773-A776 PolarHBondContact O-N 3.13Å; A776-M778 VanDerWaalsContact C-N 3.32Å; A776-M778 PolarHBondContact O-N 3.07Å; A776-V779 PolarHBondContact O-N 2.99Å; A776-C780 VanDerWaalsContact O-CB 3.32Å; A776-C780 WeakPolarHBondContact O-CB 3.32Å; A776-C780 PolarHBondContact O-N 3.3Å
777A66.8Low58.1Low35 Ų3593.6 Ų93.629%0.28948%0.482SS..Hα-helixtrans-61.7-38.9176.500000112.3R773 N774 T775 S781R773-A777 WeakPolarHBondContact O-CB 3.41Å; R773-A777 PolarHBondContact O-N 2.7Å; N774-A777 PolarHBondContact O-N 3.5Å; T775-A777 PolarHBondContact O-N 3.09Å; A777-S781 WeakPolarHBondContact O-CB 3.44Å; A777-S781 PolarHBondContact O-N 2.93Å
778M74.3Confident58.3Low0 Ų087.5 Ų87.50%046%0.458CS..Hα-helixtrans-65.7-50.9175.7-169.8-166.48400111.9Q387 Y391 T721 N774 T775 A776 C780 S781 L782Q387-M778 HydrophobicContact CB-CE 4.23Å; Q387-M778 HydrophobicContact CG-CE 4.24Å; Y391-M778 HydrophobicContact CD1-SD 3.91Å; Y391-M778 HydrophobicContact CE1-CB 4.23Å; Y391-M778 HydrophobicContact CE1-CE 3.81Å; Y391-M778 HydrophobicContact CE1-CG 4.4Å; Y391-M778 HydrophobicContact CE1-SD 3.28Å; Y391-M778 WeakPolarHBondContact CE1-SD 3.46Å; Y391-M778 HydrophobicContact CE2-CE 3.71Å; Y391-M778 HydrophobicContact CE2-SD 4.14Å; Y391-M778 WeakPolarHBondContact OH-CE 3.28Å; T721-M778 HydrophobicContact CG2-CG 3.99Å; T721-M778 WeakPolarHBondContact OG1-CG 3.44Å; N774-M778 PolarHBondContact O-N 2.91Å; T775-M778 PolarHBondContact O-N 3.27Å; A776-M778 VanDerWaalsContact C-N 3.32Å; A776-M778 PolarHBondContact O-N 3.07Å; M778-C780 VanDerWaalsContact C-N 3.27Å; M778-C780 PolarHBondContact O-N 3.3Å; M778-S781 PolarHBondContact O-N 3.45Å; M778-S781 PolarHBondContact O-OG 3.37Å; M778-L782 HydrophobicContact CE-CD1 3.98Å; M778-L782 HydrophobicContact CG-CD1 4.35Å; M778-L782 PolarHBondContact O-N 2.86Å
779V70.2Confident58.4Low74 Ų7487 Ų8745%0.44846%0.461SS..Hα-helixtrans-59.1-42.2179.7175.20000110.6T775 A776 S781 L782 A783T775-V779 WeakPolarHBondContact O-CG2 3.39Å; T775-V779 PolarHBondContact O-N 3Å; A776-V779 PolarHBondContact O-N 2.99Å; V779-S781 PolarHBondContact O-N 3.25Å; V779-L782 PolarHBondContact O-N 2.81Å; V779-A783 WeakPolarHBondContact O-CB 3.32Å; V779-A783 PolarHBondContact O-N 3.05Å
780C65.5Low57.9Low64 Ų6489.2 Ų89.243%0.43247%0.473SS..Hα-helixtrans-58.9-44.9173.5-174.60000111.9A776 M778 L782 A783 N784A776-C780 VanDerWaalsContact O-CB 3.32Å; A776-C780 WeakPolarHBondContact O-CB 3.32Å; A776-C780 PolarHBondContact O-N 3.3Å; M778-C780 VanDerWaalsContact C-N 3.27Å; M778-C780 PolarHBondContact O-N 3.3Å; C780-L782 VanDerWaalsContact C-N 3.31Å; C780-L782 PolarHBondContact O-N 3.47Å; C780-A783 PolarHBondContact O-N 3.4Å; C780-N784 PolarHBondContact O-N 3.03Å
781S68.6Low57.5Low22 Ų2288.6 Ų88.615%0.15447%0.468CS..Hα-helixtrans-65-30.5179.3750000114.1A777 M778 V779A777-S781 WeakPolarHBondContact O-CB 3.44Å; A777-S781 PolarHBondContact O-N 2.93Å; M778-S781 PolarHBondContact O-N 3.45Å; M778-S781 PolarHBondContact O-OG 3.37Å; V779-S781 PolarHBondContact O-N 3.25Å
782L70.5Confident56.7Low23 Ų2383 Ų8312%0.1247%0.466CS..Hα-helixtrans-80.2-31.4176-68.2173.1000112T721 F725 M778 V779 C780T721-L782 HydrophobicContact CG2-CD1 4.47Å; T721-L782 HydrophobicContact CG2-CD2 3.72Å; T721-L782 HydrophobicContact CG2-CG 4.02Å; F725-L782 HydrophobicContact CD2-CD2 4.13Å; F725-L782 HydrophobicContact CE2-CD2 3.98Å; F725-L782 HydrophobicContact CZ-CD2 4.27Å; M778-L782 HydrophobicContact CE-CD1 3.98Å; M778-L782 HydrophobicContact CG-CD1 4.35Å; M778-L782 PolarHBondContact O-N 2.86Å; V779-L782 PolarHBondContact O-N 2.81Å; C780-L782 VanDerWaalsContact C-N 3.31Å; C780-L782 PolarHBondContact O-N 3.47Å
783A59.3Low55.4Low69 Ų6982.2 Ų82.257%0.5748%0.477SS*.Hα-helixtrans-85.6-40-177.500000114V779 C780V779-A783 WeakPolarHBondContact O-CB 3.32Å; V779-A783 PolarHBondContact O-N 3.05Å; C780-A783 PolarHBondContact O-N 3.4Å
784N56.7Low55Low81 Ų8179.6 Ų79.643%0.43348%0.475SS..  trans-104.180.6-174.6-70.8-27.4000111.4C780 D786C780-N784 PolarHBondContact O-N 3.03Å; N784-D786 VanDerWaalsContact C-N 3.35Å; N784-D786 PolarHBondContact O-N 3.03Å
785K52.9Low54.1Low141 Ų14181.6 Ų81.661%0.61349%0.489SS*.THydrogen-bonded Turntrans-63.8-30.2-169.4-65.2178.2178.31800114.7E343E343-K785 IonicContact OE1-NZ 2.69Å
786D42.7Very low53.7Low162 Ų16283.3 Ų83.387%0.86650%0.499SS*.THydrogen-bonded Turntrans-119.1-8.4-170.7-63.5-43.6000115.4N784N784-D786 VanDerWaalsContact C-N 3.35Å; N784-D786 PolarHBondContact O-N 3.03Å
787E40Very low53.1Low158 Ų15884.6 Ų84.674%0.73850%0.498SS*.THydrogen-bonded Turntrans-111.92.9-168.5-78.7-171.7163.600116.3L789E787-L789 PolarHBondContact O-N 2.95Å
788C44.7Very low52.3Low51 Ų5187.7 Ų87.735%0.34551%0.511SS..  trans-72.387.2179.2-1780000112.3M790 C791C788-M790 PolarHBondContact O-N 3.35Å; C788-C791 HydrophobicContact CB-CB 3.99Å; C788-C791 WeakPolarHBondContact CB-SG 3.24Å; C788-C791 VanDerWaalsContact O-CB 3.23Å; C788-C791 WeakPolarHBondContact O-CB 3.32Å; C788-C791 PolarHBondContact O-N 2.94Å; C788-C791 WeakPolarHBondContact SG-CB 3.33Å; C788-C791 PolarHBondContact SG-N 3.47Å; C788-C791 VanDerWaalsContact SG-N 3.43Å; C788-C791 CovalentContact SG-SG 2.06Å; C788-C791 PolarHBondContact SG-SG 2.69Å
789L41.5Very low50.8Low168 Ų16893.5 Ų93.588%0.8855%0.545SS*.G310 helixtrans-71.5-15.2168.1-74.6163.9000112.7E787 C791E787-L789 PolarHBondContact O-N 2.95Å; L789-C791 PolarHBondContact O-N 3.4Å
790M37.3Very low49.4Very low163 Ų16394.9 Ų94.980%0.80355%0.552SS**G310 helixtrans-71.6-4.4170.8-66.5-72.8-8300113.1K719 C788K719-M790 WeakPolarHBondContact CE-O 3.46Å; C788-M790 PolarHBondContact O-N 3.35Å
791C45.2Very low48.2Very low31 Ų3197.3 Ų97.321%0.20956%0.562CS.*G310 helixtrans-100.114.2-173.7-64.70000113.1C788 L789C788-C791 HydrophobicContact CB-CB 3.99Å; C788-C791 WeakPolarHBondContact CB-SG 3.24Å; C788-C791 VanDerWaalsContact O-CB 3.23Å; C788-C791 WeakPolarHBondContact O-CB 3.32Å; C788-C791 PolarHBondContact O-N 2.94Å; C788-C791 WeakPolarHBondContact SG-CB 3.33Å; C788-C791 PolarHBondContact SG-N 3.47Å; C788-C791 VanDerWaalsContact SG-N 3.43Å; C788-C791 CovalentContact SG-SG 2.06Å; C788-C791 PolarHBondContact SG-SG 2.69Å; L789-C791 PolarHBondContact O-N 3.4Å
792G35.7Very low46.5Very low60 Ų60103.6 Ų103.662%0.61960%0.596SS**  trans-131.453.9-176.700000113.3
793S31.5Very low44.3Very low136 Ų136110.9 Ų110.995%0.95164%0.639SS**  trans-162.90156.5-9.90000109.2K719K719-S793 PolarHBondContact NZ-O 3.32Å

Retrieved 793 of 793 residues in 566.2 ms (Link to these results)

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