G4VBH0_SCHMA Loading...

Cell division control protein 45-related

AlphaFold DB , UniProt , Accession G4VBH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 566 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
1M70Confident91.3Very high103 Ų10362.5 Ų62.551%0.50729%0.285SS..  0135.50-179.4177.486.800107.9I3 F110 T125M1-I3 HydrophobicContact CG-CD1 4.31Å; M1-I3 HydrophobicContact CG-CG1 4.27Å; M1-I3 HydrophobicContact SD-CD1 4.08Å; M1-F110 HydrophobicContact CB-CE1 4.09Å; M1-F110 HydrophobicContact CB-CZ 4.28Å; M1-F110 HydrophobicContact CG-CE1 3.85Å; M1-F110 HydrophobicContact CG-CE2 4.19Å; M1-F110 HydrophobicContact CG-CZ 3.54Å; M1-F110 HydrophobicContact SD-CE1 4.43Å; M1-F110 HydrophobicContact SD-CZ 3.78Å; M1-T125 HydrophobicContact SD-CG2 4.13Å
2V83.7Confident91.8Very high11 Ų1157.6 Ų57.67%0.06726%0.262CS..  trans-125.523.8-169.2-139.80000114.3L4 N112 Q113 I116 K117 L118V2-L4 PolarHBondContact O-N 2.79Å; V2-N112 WeakPolarHBondContact CG2-O 3.28Å; V2-Q113 HydrophobicContact CG2-CB 4.33Å; V2-Q113 HydrophobicContact CG2-CG 3.85Å; V2-I116 WeakPolarHBondContact CB-O 3.42Å; V2-I116 WeakPolarHBondContact CG1-O 3.48Å; V2-K117 HydrophobicContact CG1-CD 3.73Å; V2-L118 PolarHBondContact O-N 2.82Å
3I90.6Very high92.2Very high31 Ų3156 Ų5616%0.15927%0.272CS..BIsolated β-bridgetrans-67.6121165.9-56.6168.3000107.2M1 F110 L118 C120 E123 T125M1-I3 HydrophobicContact CG-CD1 4.31Å; M1-I3 HydrophobicContact CG-CG1 4.27Å; M1-I3 HydrophobicContact SD-CD1 4.08Å; I3-F110 HydrophobicContact CD1-CE2 4.12Å; I3-L118 HydrophobicContact CG1-CB 4.42Å; I3-L118 HydrophobicContact CG1-CD1 4.4Å; I3-C120 HydrophobicContact CG2-CB 4.2Å; I3-E123 HydrophobicContact CD1-CB 3.9Å; I3-E123 HydrophobicContact CD1-CG 3.69Å; I3-T125 HydrophobicContact CD1-CG2 3.58Å
4L93.5Very high92.4Very high14 Ų1459.9 Ų59.97%0.07329%0.289CS..  trans-66.6138.5178.7-60.2-169.3000110.3V2 I7 E10 F11 Y97 K117 L118 L119V2-L4 PolarHBondContact O-N 2.79Å; L4-I7 HydrophobicContact CB-CG2 4.03Å; L4-E10 HydrophobicContact CB-CB 4.35Å; L4-E10 HydrophobicContact CD1-CB 3.87Å; L4-E10 HydrophobicContact CD2-CB 3.96Å; L4-E10 HydrophobicContact CG-CB 4.29Å; L4-F11 HydrophobicContact CD1-CB 3.66Å; L4-Y97 HydrophobicContact CD1-CD1 4.2Å; L4-Y97 HydrophobicContact CD1-CE1 4.02Å; L4-K117 HydrophobicContact CD1-CB 4.24Å; L4-K117 HydrophobicContact CD2-CB 4.01Å; L4-K117 HydrophobicContact CD2-CD 4.02Å; L4-K117 HydrophobicContact CD2-CG 4.36Å; L4-K117 HydrophobicContact CG-CB 4.26Å; L4-L118 PolarHBondContact N-O 2.93Å; L4-L118 VanDerWaalsContact N-O 3.1Å; L4-L119 HydrophobicContact CD1-CD2 3.38Å; L4-L119 HydrophobicContact CG-CD2 4.1Å
5R91.6Very high92.7Very high228 Ų22855.9 Ų55.986%0.8627%0.27SS*.SBendtrans-88.3-39.4179.9-65.4-178.9178-178.2-0.5111.2E10R5-E10 PolarHBondContact N-OE1 3.28Å
6D94.1Very high92.8Very high44 Ų4455.4 Ų55.424%0.23527%0.271CS..  trans-12688.4175.5-178.725.9000110.8R8 S9 E10D6-R8 PolarHBondContact O-N 2.91Å; D6-R8 WeakPolarHBondContact OD1-CB 3.46Å; D6-R8 IonicContact OD1-CZ 3.42Å; D6-R8 PolarHBondContact OD1-N 2.99Å; D6-R8 IonicContact OD1-NE 3.91Å; D6-R8 PolarHBondContact OD1-NE 3.33Å; D6-R8 VanDerWaalsContact OD1-NE 3.12Å; D6-R8 IonicContact OD1-NH2 3.92Å; D6-R8 IonicContact OD2-NE 3.43Å; D6-R8 IonicContact OD2-NH2 3.95Å; D6-S9 VanDerWaalsContact CG-OG 3.28Å; D6-S9 PolarHBondContact O-N 3.19Å; D6-S9 VanDerWaalsContact O-N 3.08Å; D6-S9 PolarHBondContact O-OG 2.92Å; D6-S9 PolarHBondContact OD2-OG 2.67Å; D6-E10 PolarHBondContact N-OE1 2.87Å; D6-E10 WeakPolarHBondContact O-CB 3.28Å; D6-E10 PolarHBondContact O-N 2.76Å
7I96.1Very high92.8Very high8 Ų856.7 Ų56.74%0.04130%0.302CS..THydrogen-bonded Turntrans-57.6-15.9177.160.6176.5000113.9L4 F11 Y12 L119 L197 K200L4-I7 HydrophobicContact CB-CG2 4.03Å; I7-F11 WeakPolarHBondContact O-CB 3.35Å; I7-F11 PolarHBondContact O-N 2.73Å; I7-Y12 PolarHBondContact O-N 3.13Å; I7-L119 HydrophobicContact CG2-CD2 3.92Å; I7-L197 HydrophobicContact CD1-CB 3.71Å; I7-L197 HydrophobicContact CD1-CD1 4.29Å; I7-L197 HydrophobicContact CG1-CB 4.35Å; I7-L197 HydrophobicContact CG1-CD1 3.97Å; I7-K200 HydrophobicContact CG1-CD 4.35Å
8R95.9Very high93Very high113 Ų11357.1 Ų57.143%0.42630%0.304SS..Iπ-helixtrans-70.7-46.2173.2-65-178-71.7-170.412.6112.4D6 G13 L197 K200 L201D6-R8 PolarHBondContact O-N 2.91Å; D6-R8 WeakPolarHBondContact OD1-CB 3.46Å; D6-R8 IonicContact OD1-CZ 3.42Å; D6-R8 PolarHBondContact OD1-N 2.99Å; D6-R8 IonicContact OD1-NE 3.91Å; D6-R8 PolarHBondContact OD1-NE 3.33Å; D6-R8 VanDerWaalsContact OD1-NE 3.12Å; D6-R8 IonicContact OD1-NH2 3.92Å; D6-R8 IonicContact OD2-NE 3.43Å; D6-R8 IonicContact OD2-NH2 3.95Å; R8-G13 PolarHBondContact O-N 3.07Å; R8-L197 HydrophobicContact CG-CD1 4.03Å; R8-K200 VanDerWaalsContact CD-O 3.28Å; R8-K200 WeakPolarHBondContact CD-O 3.36Å; R8-K200 HydrophobicContact CG-CB 3.71Å; R8-K200 PolarHBondContact NH1-O 2.8Å; R8-L201 HydrophobicContact CB-CD2 4.26Å; R8-L201 HydrophobicContact CG-CD2 3.97Å; R8-L201 HydrophobicContact CG-CG 4.3Å
9S95.4Very high93.1Very high57 Ų5760.8 Ų60.840%0.39931%0.314SS..Iπ-helixtrans-88.4-51.9-176.849.60000110.1D6 F11 E14D6-S9 VanDerWaalsContact CG-OG 3.28Å; D6-S9 PolarHBondContact O-N 3.19Å; D6-S9 VanDerWaalsContact O-N 3.08Å; D6-S9 PolarHBondContact O-OG 2.92Å; D6-S9 PolarHBondContact OD2-OG 2.67Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 PolarHBondContact O-N 2.94Å; S9-E14 PolarHBondContact O-N 2.97Å
10E95.8Very high93.4Very high78 Ų7857.8 Ų57.836%0.36430%0.298SS..Iπ-helixtrans-74.4-18-172.3-59.2-179.6-9800114.3L4 R5 D6 Y97L4-E10 HydrophobicContact CB-CB 4.35Å; L4-E10 HydrophobicContact CD1-CB 3.87Å; L4-E10 HydrophobicContact CD2-CB 3.96Å; L4-E10 HydrophobicContact CG-CB 4.29Å; R5-E10 PolarHBondContact N-OE1 3.28Å; D6-E10 PolarHBondContact N-OE1 2.87Å; D6-E10 WeakPolarHBondContact O-CB 3.28Å; D6-E10 PolarHBondContact O-N 2.76Å; E10-Y97 VanDerWaalsContact O-CE1 3.32Å; E10-Y97 WeakPolarHBondContact O-CE1 3.47Å; E10-Y97 PolarHBondContact O-OH 3.4Å; E10-Y97 VanDerWaalsContact O-OH 3.1Å
11F97.6Very high93.6Very high1 Ų155 Ų550%0.00428%0.284CS..Iπ-helixtrans-118.3-68.7174.3162.3-122.4000112L4 I7 S9 G13 E14 V15 L37 V74 Y97 L119 M194 L197L4-F11 HydrophobicContact CD1-CB 3.66Å; I7-F11 WeakPolarHBondContact O-CB 3.35Å; I7-F11 PolarHBondContact O-N 2.73Å; S9-F11 VanDerWaalsContact C-N 3.32Å; S9-F11 PolarHBondContact O-N 2.94Å; F11-G13 VanDerWaalsContact C-N 3.33Å; F11-G13 PolarHBondContact O-N 2.95Å; F11-E14 PolarHBondContact O-N 3.22Å; F11-V15 HydrophobicContact CD2-CG2 3.73Å; F11-V15 HydrophobicContact CE2-CG2 3.57Å; F11-V15 WeakPolarHBondContact O-CB 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.45Å; F11-V15 PolarHBondContact O-N 3.29Å; F11-L37 HydrophobicContact CE1-CD1 4.27Å; F11-L37 HydrophobicContact CZ-CD1 4.08Å; F11-V74 HydrophobicContact CE2-CG1 4.43Å; F11-V74 HydrophobicContact CE2-CG2 3.8Å; F11-V74 HydrophobicContact CZ-CG1 4.36Å; F11-V74 HydrophobicContact CZ-CG2 4.33Å; F11-Y97 HydrophobicContact CB-CD1 3.92Å; F11-Y97 HydrophobicContact CB-CE1 3.78Å; F11-Y97 AromaticContact CD2-CD1 3.33Å; F11-Y97 HydrophobicContact CD2-CD1 3.33Å; F11-Y97 AromaticContact CD2-CD2 3.89Å; F11-Y97 HydrophobicContact CD2-CD2 3.89Å; F11-Y97 AromaticContact CD2-CE1 3.71Å; F11-Y97 HydrophobicContact CD2-CE1 3.71Å; F11-Y97 HydrophobicContact CD2-CE2 4.21Å; F11-Y97 AromaticContact CD2-CG 3.42Å; F11-Y97 HydrophobicContact CD2-CG 3.42Å; F11-Y97 VanDerWaalsContact CD2-CG 3.42Å; F11-Y97 HydrophobicContact CE2-CD1 4.17Å; F11-Y97 HydrophobicContact CE2-CD2 4.16Å; F11-Y97 AromaticContact CE2-CG 3.81Å; F11-Y97 HydrophobicContact CE2-CG 3.81Å; F11-Y97 AromaticContact CG-CD1 3.99Å; F11-Y97 HydrophobicContact CG-CD1 3.99Å; F11-Y97 HydrophobicContact CG-CE1 4.23Å; F11-Y97 HydrophobicContact CG-CG 4.46Å; F11-L119 HydrophobicContact CB-CD2 3.73Å; F11-L119 HydrophobicContact CD1-CD1 3.74Å; F11-L119 HydrophobicContact CD1-CD2 4.13Å; F11-L119 HydrophobicContact CD2-CD1 4.01Å; F11-L119 HydrophobicContact CD2-CD2 4.46Å; F11-L119 HydrophobicContact CE1-CD1 3.74Å; F11-L119 HydrophobicContact CE2-CD1 3.98Å; F11-L119 HydrophobicContact CG-CD1 3.86Å; F11-L119 HydrophobicContact CG-CD2 3.86Å; F11-L119 HydrophobicContact CZ-CD1 3.86Å; F11-M194 HydrophobicContact CE1-CE 3.92Å; F11-M194 HydrophobicContact CE1-SD 4.05Å; F11-M194 HydrophobicContact CZ-CE 4.26Å; F11-L197 HydrophobicContact CD1-CD2 3.88Å; F11-L197 HydrophobicContact CE1-CD2 3.71Å
12Y97.5Very high95Very high3 Ų350.1 Ų50.11%0.01226%0.26CS..Iπ-helixtrans-65.3-38.8-171.3-171.7-114.4000112.3I7 V15 V16 L40 F41 R44 L197 L201I7-Y12 PolarHBondContact O-N 3.13Å; Y12-V15 PolarHBondContact O-N 3.16Å; Y12-V16 HydrophobicContact CD1-CG2 4.48Å; Y12-V16 HydrophobicContact CE1-CG2 4.28Å; Y12-V16 VanDerWaalsContact O-CG2 3.24Å; Y12-V16 WeakPolarHBondContact O-CG2 3.33Å; Y12-V16 PolarHBondContact O-N 3.26Å; Y12-V16 VanDerWaalsContact O-N 3.08Å; Y12-L40 HydrophobicContact CE2-CB 3.86Å; Y12-L40 VanDerWaalsContact OH-C 3.24Å; Y12-L40 PolarHBondContact OH-O 2.9Å; Y12-F41 HydrophobicContact CE2-CD1 4.11Å; Y12-F41 HydrophobicContact CE2-CE1 4.39Å; Y12-R44 HydrophobicContact CE1-CG 3.92Å; Y12-R44 WeakPolarHBondContact OH-CG 3.3Å; Y12-L197 HydrophobicContact CD2-CD2 4.38Å; Y12-L197 HydrophobicContact CG-CD2 4.44Å; Y12-L201 HydrophobicContact CD1-CD1 3.46Å; Y12-L201 VanDerWaalsContact CD1-CD1 3.46Å; Y12-L201 HydrophobicContact CD1-CD2 3.8Å; Y12-L201 HydrophobicContact CD1-CG 4.28Å; Y12-L201 HydrophobicContact CE1-CD1 3.5Å; Y12-L201 HydrophobicContact CE1-CD2 4.16Å; Y12-L201 HydrophobicContact CE1-CG 4.49Å; Y12-L201 HydrophobicContact CG-CD1 3.99Å
13G96.3Very high95.7Very high37 Ų3749.6 Ų49.638%0.38126%0.257SS..Iπ-helixtrans-60-43.417400000112.9R8 F11 V16R8-G13 PolarHBondContact O-N 3.07Å; F11-G13 VanDerWaalsContact C-N 3.33Å; F11-G13 PolarHBondContact O-N 2.95Å; G13-V16 PolarHBondContact O-N 3.32Å
14E95.5Very high96.1Very high111 Ų11148.1 Ų48.152%0.51925%0.249SC..Hα-helixtrans-71.7-33.2178.5-63.8-56.9141.400113.1S9 F11 N18 Y97S9-E14 PolarHBondContact O-N 2.97Å; F11-E14 PolarHBondContact O-N 3.22Å; E14-N18 PolarHBondContact O-ND2 2.78Å; E14-Y97 WeakPolarHBondContact CB-OH 3.49Å
15V96.2Very high96.3Very high0 Ų048.4 Ų48.40%025%0.249CC..Hα-helixtrans-70.9-34.7176.3160.40000111.7F11 Y12 G17 N18 V20 F41 V46 V72 Y97F11-V15 HydrophobicContact CD2-CG2 3.73Å; F11-V15 HydrophobicContact CE2-CG2 3.57Å; F11-V15 WeakPolarHBondContact O-CB 3.31Å; F11-V15 WeakPolarHBondContact O-CG2 3.45Å; F11-V15 PolarHBondContact O-N 3.29Å; Y12-V15 PolarHBondContact O-N 3.16Å; V15-G17 PolarHBondContact O-N 3.3Å; V15-N18 PolarHBondContact O-N 3.08Å; V15-N18 VanDerWaalsContact O-N 3.08Å; V15-V20 HydrophobicContact CB-CG2 4.5Å; V15-V20 HydrophobicContact CG1-CG2 3.58Å; V15-F41 HydrophobicContact CG1-CD1 4.5Å; V15-F41 HydrophobicContact CG1-CE1 3.54Å; V15-F41 HydrophobicContact CG1-CZ 3.67Å; V15-V46 HydrophobicContact CG1-CG1 3.71Å; V15-V46 HydrophobicContact CG1-CG2 4.44Å; V15-V72 HydrophobicContact CG2-CG1 4.11Å; V15-Y97 HydrophobicContact CG2-CD2 4.25Å; V15-Y97 HydrophobicContact CG2-CE2 4.07Å
16V95.6Very high96.6Very high47 Ų4738 Ų3829%0.28521%0.211SC..THydrogen-bonded Turntrans-62.8123.8178.71690000110.4Y12 G13 R44 V46Y12-V16 HydrophobicContact CD1-CG2 4.48Å; Y12-V16 HydrophobicContact CE1-CG2 4.28Å; Y12-V16 VanDerWaalsContact O-CG2 3.24Å; Y12-V16 WeakPolarHBondContact O-CG2 3.33Å; Y12-V16 PolarHBondContact O-N 3.26Å; Y12-V16 VanDerWaalsContact O-N 3.08Å; G13-V16 PolarHBondContact O-N 3.32Å; V16-R44 HydrophobicContact CG2-CB 3.88Å; V16-R44 HydrophobicContact CG2-CG 4.15Å; V16-V46 HydrophobicContact CG2-CG2 4.01Å
17G92.6Very high96.8Very high78 Ų7836.9 Ų36.980%0.80421%0.205SC*.THydrogen-bonded Turntrans95.9-11.9-177.900000114.3V15V15-G17 PolarHBondContact O-N 3.3Å
18N95.4Very high96.9Very high63 Ų6336.5 Ų36.534%0.33720%0.203SC..SBendtrans-97.4155.9174.5-74.7-58.6000112E14 V15 V72E14-N18 PolarHBondContact O-ND2 2.78Å; V15-N18 PolarHBondContact O-N 3.08Å; V15-N18 VanDerWaalsContact O-N 3.08Å; N18-V72 HydrophobicContact CB-CG2 4.13Å
19R96.4Very high97.1Very high129 Ų12931.2 Ų31.249%0.48718%0.183SC..EExtended strand (participates in β ladder)trans-86.7123.7165.1-169-171.1175.6176.6-4.8108.3L47 T49 F70R19-L47 CarbonylContact C-O 3.55Å; R19-L47 WeakPolarHBondContact CA-O 3.37Å; R19-L47 HydrophobicContact CG-CB 4.28Å; R19-T49 PolarHBondContact NH2-OG1 2.79Å; R19-F70 HydrophobicContact CB-CD1 4.49Å; R19-F70 HydrophobicContact CG-CD1 4.02Å; R19-F70 HydrophobicContact CG-CE1 3.66Å
20V98.1Very high97.2Very high0 Ų028.5 Ų28.50%016%0.164CC..EExtended strand (participates in β ladder)trans-109.9132.4-170.2-173.50000111.9V15 V22 F41 V46 L47 Y48 T49 F70 V72 V74V15-V20 HydrophobicContact CB-CG2 4.5Å; V15-V20 HydrophobicContact CG1-CG2 3.58Å; V20-V22 HydrophobicContact CB-CG2 4.48Å; V20-V22 HydrophobicContact CG1-CG2 3.87Å; V20-F41 HydrophobicContact CG1-CZ 4.48Å; V20-F41 HydrophobicContact CG2-CZ 4.47Å; V20-V46 HydrophobicContact CG2-CG1 3.9Å; V20-L47 PolarHBondContact N-O 3.02Å; V20-Y48 CarbonylContact O-C 3.55Å; V20-Y48 WeakPolarHBondContact O-CA 3.49Å; V20-T49 PolarHBondContact O-N 3.44Å; V20-F70 VanDerWaalsContact C-CD1 3.45Å; V20-V72 WeakPolarHBondContact CA-O 3.19Å; V20-V72 HydrophobicContact CG1-CG1 4.4Å; V20-V72 HydrophobicContact CG2-CG1 4.47Å; V20-V74 HydrophobicContact CG1-CB 4.24Å; V20-V74 HydrophobicContact CG1-CG2 3.53Å
21L98.4Very high97.3Very high0 Ų024.8 Ų24.80%015%0.147CC..EExtended strand (participates in β ladder)trans-85.4120.6163.8179.364000108.7V51 Y63 N66 F70 V72 A73 V74L21-V51 HydrophobicContact CD1-CG2 3.93Å; L21-Y63 HydrophobicContact CD2-CD2 4.14Å; L21-N66 HydrophobicContact CD1-CB 4.21Å; L21-N66 HydrophobicContact CD2-CB 3.95Å; L21-F70 HydrophobicContact CB-CB 3.96Å; L21-F70 HydrophobicContact CB-CD1 3.85Å; L21-F70 HydrophobicContact CB-CD2 3.97Å; L21-F70 HydrophobicContact CB-CE1 4.29Å; L21-F70 HydrophobicContact CB-CE2 4.46Å; L21-F70 HydrophobicContact CB-CG 3.68Å; L21-F70 HydrophobicContact CD1-CD2 4.46Å; L21-F70 HydrophobicContact CD1-CE2 4.29Å; L21-F70 VanDerWaalsContact N-CD1 3.29Å; L21-V72 PolarHBondContact N-O 3.33Å; L21-A73 HydrophobicContact CB-CB 4.35Å; L21-A73 CarbonylContact O-C 3.46Å; L21-A73 VanDerWaalsContact O-CA 3.24Å; L21-A73 WeakPolarHBondContact O-CA 3.24Å; L21-V74 PolarHBondContact O-N 3.33Å
22V98.6Very high97.4Very high0 Ų024.8 Ų24.80%015%0.147CC..EExtended strand (participates in β ladder)trans-110.3113.8177.7-174.10000108.6V20 V24 W34 F41 T49 L50 V51 V74 I76V20-V22 HydrophobicContact CB-CG2 4.48Å; V20-V22 HydrophobicContact CG1-CG2 3.87Å; V22-V24 HydrophobicContact CG1-CG2 3.8Å; V22-W34 HydrophobicContact CB-CZ3 4.3Å; V22-W34 HydrophobicContact CG1-CE3 3.88Å; V22-W34 HydrophobicContact CG1-CZ3 3.88Å; V22-W34 HydrophobicContact CG2-CZ3 4.1Å; V22-F41 HydrophobicContact CG2-CE2 3.94Å; V22-T49 PolarHBondContact N-O 3.49Å; V22-L50 HydrophobicContact CB-CD1 4.28Å; V22-L50 HydrophobicContact CG1-CD1 4.11Å; V22-L50 WeakPolarHBondContact O-CA 3.27Å; V22-V51 PolarHBondContact O-N 2.77Å; V22-V74 CarbonylContact C-O 3.59Å; V22-V74 WeakPolarHBondContact CA-O 3.34Å; V22-V74 HydrophobicContact CG2-CB 4.46Å; V22-I76 HydrophobicContact CG1-CD1 4.02Å
23C98.6Very high97.5Very high0 Ų024.6 Ų24.60%015%0.146CC..EExtended strand (participates in β ladder)trans-102.7123.9174.5-61.30000109.5V51 V53 L59 V74 F75 I76C23-V51 CarbonylContact C-O 3.59Å; C23-V51 VanDerWaalsContact CA-O 3.31Å; C23-V51 WeakPolarHBondContact CA-O 3.32Å; C23-V53 HydrophobicContact CB-CG1 4.15Å; C23-V53 HydrophobicContact CB-CG2 4.25Å; C23-L59 HydrophobicContact CB-CD1 3.73Å; C23-V74 PolarHBondContact N-O 2.96Å; C23-F75 HydrophobicContact CB-CD1 3.68Å; C23-F75 HydrophobicContact CB-CE1 3.99Å; C23-F75 WeakPolarHBondContact O-CA 3.32Å; C23-I76 PolarHBondContact O-N 3.4Å
24V98.7Very high97.6Very high0 Ų022.9 Ų22.90%013%0.128CC..EExtended strand (participates in β ladder)trans-123.9127.3-175.8-173.50000110.3V22 G30 W34 L50 V51 I52 V53 I76 F394V22-V24 HydrophobicContact CG1-CG2 3.8Å; V24-G30 WeakPolarHBondContact CG1-O 3.48Å; V24-W34 HydrophobicContact CG1-CB 4.39Å; V24-W34 HydrophobicContact CG2-CB 4.26Å; V24-W34 HydrophobicContact CG2-CG 4.46Å; V24-L50 HydrophobicContact CB-CD1 4.41Å; V24-L50 HydrophobicContact CG2-CD1 3.5Å; V24-L50 VanDerWaalsContact CG2-CD1 3.5Å; V24-V51 PolarHBondContact N-O 3.41Å; V24-I52 HydrophobicContact CB-CD1 4.02Å; V24-I52 CarbonylContact O-C 3.57Å; V24-I52 WeakPolarHBondContact O-CA 3.18Å; V24-V53 PolarHBondContact O-N 2.96Å; V24-I76 HydrophobicContact CB-CB 4.42Å; V24-I76 HydrophobicContact CG1-CB 4.22Å; V24-I76 HydrophobicContact CG1-CG2 3.95Å; V24-I76 HydrophobicContact CG2-CB 4.12Å; V24-I76 HydrophobicContact CG2-CD1 4.04Å; V24-I76 HydrophobicContact CG2-CG1 4.49Å; V24-F394 HydrophobicContact CG1-CE2 4.17Å; V24-F394 HydrophobicContact CG1-CZ 3.93Å
25Y98.4Very high97.7Very high20 Ų2020.1 Ų20.18%0.07811%0.113CC..  trans-72.8130.9167.7-179.3-117.4000110.1D27 K54 I76 N77 F542Y25-D27 HydrophobicContact CD1-CB 3.82Å; Y25-D27 VanDerWaalsContact CD1-CG 3.48Å; Y25-D27 HydrophobicContact CE1-CB 3.76Å; Y25-D27 PolarHBondContact O-N 3.38Å; Y25-K54 WeakPolarHBondContact CE2-O 3.25Å; Y25-I76 PolarHBondContact N-O 3.3Å; Y25-N77 WeakPolarHBondContact CB-O 3.26Å; Y25-N77 HydrophobicContact CD1-CB 4.38Å; Y25-F542 AromaticContact CD2-CD2 3.54Å; Y25-F542 HydrophobicContact CD2-CD2 3.54Å; Y25-F542 AromaticContact CD2-CE2 3.78Å; Y25-F542 HydrophobicContact CD2-CE2 3.78Å; Y25-F542 AromaticContact CE2-CD2 3.96Å; Y25-F542 HydrophobicContact CE2-CD2 3.96Å; Y25-F542 HydrophobicContact CE2-CE2 4.45Å; Y25-F542 HydrophobicContact CG-CD2 4.01Å; Y25-F542 HydrophobicContact CG-CE2 4.37Å
26P97.8Very high97.8Very high8 Ų820.1 Ų20.15%0.05211%0.113CC..SBendtrans-82.260.4-173.633-36.9000113.1I52 V53 L382 P390 F394P26-I52 HydrophobicContact CB-CG2 3.59Å; P26-I52 HydrophobicContact CG-CG2 3.88Å; P26-V53 WeakPolarHBondContact CD-O 3.35Å; P26-L382 HydrophobicContact CB-CD2 4.4Å; P26-P390 HydrophobicContact CB-CB 3.73Å; P26-P390 HydrophobicContact CG-CB 3.76Å; P26-F394 HydrophobicContact CB-CD2 3.94Å; P26-F394 HydrophobicContact CB-CE2 4.4Å
27D98.2Very high97.9Very high22 Ų2217.9 Ų17.912%0.11810%0.1CC..SBendtrans-105.6173.9164.664.5-3.8000111Y25 G30 L31 N77 Q461Y25-D27 HydrophobicContact CD1-CB 3.82Å; Y25-D27 VanDerWaalsContact CD1-CG 3.48Å; Y25-D27 HydrophobicContact CE1-CB 3.76Å; Y25-D27 PolarHBondContact O-N 3.38Å; D27-G30 WeakPolarHBondContact OD1-CA 3.23Å; D27-G30 PolarHBondContact OD1-N 2.83Å; D27-L31 WeakPolarHBondContact O-CB 3.44Å; D27-L31 PolarHBondContact O-N 3.41Å; D27-N77 PolarHBondContact OD1-ND2 3.12Å; D27-N77 PolarHBondContact OD2-ND2 2.85Å; D27-Q461 HydrophobicContact CB-CG 4.5Å
28V98.8Very high98.2Very high0 Ų017.4 Ų17.40%08%0.075CC..Hα-helixtrans-63.2-43.4-179.3175.90000111.8C32 V214 V375 T378 I379 L382V28-C32 WeakPolarHBondContact O-CB 3.27Å; V28-C32 PolarHBondContact O-N 3.24Å; V28-C32 PolarHBondContact O-SG 2.86Å; V28-V214 HydrophobicContact CG1-CG1 3.68Å; V28-V375 HydrophobicContact CG1-CG2 4.4Å; V28-V375 HydrophobicContact CG2-CG1 4.45Å; V28-T378 HydrophobicContact CB-CG2 4.43Å; V28-T378 HydrophobicContact CG1-CG2 4.25Å; V28-T378 HydrophobicContact CG2-CG2 3.84Å; V28-I379 HydrophobicContact CG2-CD1 4.48Å; V28-I379 HydrophobicContact CG2-CG1 3.6Å; V28-L382 HydrophobicContact CG2-CD1 4.46Å
29D98.8Very high98.3Very high2 Ų216.8 Ų16.81%0.0117%0.07CC..Hα-helixtrans-66.6-46.2179.7175.835.6000112.3L31 C32 T33 N77 S190 S191D29-L31 VanDerWaalsContact C-N 3.3Å; D29-L31 PolarHBondContact O-N 2.89Å; D29-C32 CarbonylContact O-C 3.58Å; D29-C32 WeakPolarHBondContact O-CB 3.42Å; D29-C32 PolarHBondContact O-N 3.22Å; D29-C32 VanDerWaalsContact O-N 3.12Å; D29-T33 WeakPolarHBondContact O-CB 3.28Å; D29-T33 PolarHBondContact O-N 3.45Å; D29-T33 PolarHBondContact O-OG1 3.47Å; D29-T33 PolarHBondContact OD1-OG1 3.15Å; D29-N77 WeakPolarHBondContact CB-ND2 3.46Å; D29-N77 PolarHBondContact OD2-ND2 2.75Å; D29-N77 PolarHBondContact OD2-OD1 2.79Å; D29-S190 PolarHBondContact OD1-N 3.48Å; D29-S190 PolarHBondContact OD2-N 2.92Å; D29-S191 VanDerWaalsContact OD1-CB 3.23Å; D29-S191 WeakPolarHBondContact OD1-CB 3.36Å; D29-S191 PolarHBondContact OD1-N 3.43Å; D29-S191 PolarHBondContact OD1-OG 2.94Å
30G98.6Very high98.3Very high0 Ų010.6 Ų10.60%05%0.047CC..Hα-helixtrans-62.7-38.4177.700000112.1V24 D27 T33 W34 N77V24-G30 WeakPolarHBondContact CG1-O 3.48Å; D27-G30 WeakPolarHBondContact OD1-CA 3.23Å; D27-G30 PolarHBondContact OD1-N 2.83Å; G30-T33 PolarHBondContact O-N 2.92Å; G30-W34 WeakPolarHBondContact O-CB 3.37Å; G30-W34 PolarHBondContact O-N 3.03Å; G30-N77 PolarHBondContact N-ND2 3.36Å; G30-N77 VanDerWaalsContact N-ND2 3.16Å
31L98.4Very high98.3Very high0 Ų010.7 Ų10.70%05%0.047CC..Hα-helixtrans-62.7-46.7171.4-175.7149.7000112.2D27 D29 W34 R35 T378 L382 F394 A397 L398 V401D27-L31 WeakPolarHBondContact O-CB 3.44Å; D27-L31 PolarHBondContact O-N 3.41Å; D29-L31 VanDerWaalsContact C-N 3.3Å; D29-L31 PolarHBondContact O-N 2.89Å; L31-W34 PolarHBondContact O-N 2.8Å; L31-R35 HydrophobicContact CD2-CG 4.34Å; L31-R35 WeakPolarHBondContact O-CG 3.42Å; L31-R35 PolarHBondContact O-N 3.11Å; L31-T378 HydrophobicContact CD1-CG2 4.31Å; L31-T378 HydrophobicContact CD2-CG2 4.31Å; L31-L382 HydrophobicContact CD1-CD2 4.27Å; L31-F394 HydrophobicContact CB-CE2 3.85Å; L31-F394 HydrophobicContact CB-CZ 4.1Å; L31-F394 HydrophobicContact CD1-CD2 4.11Å; L31-F394 HydrophobicContact CD1-CE2 3.94Å; L31-F394 HydrophobicContact CD1-CZ 4.32Å; L31-F394 HydrophobicContact CG-CE2 4.06Å; L31-F394 HydrophobicContact CG-CZ 4.1Å; L31-A397 HydrophobicContact CD1-CB 3.4Å; L31-L398 HydrophobicContact CD1-CD2 4.22Å; L31-L398 HydrophobicContact CD1-CG 4.16Å; L31-L398 HydrophobicContact CD2-CD2 3.85Å; L31-L398 HydrophobicContact CG-CD2 3.63Å; L31-L398 HydrophobicContact CG-CG 4.12Å; L31-V401 HydrophobicContact CD2-CB 4.06Å; L31-V401 HydrophobicContact CD2-CG1 3.47Å; L31-V401 VanDerWaalsContact CD2-CG1 3.47Å
32C98.8Very high98.3Very high0 Ų016.9 Ų16.90%07%0.074CC..Hα-helixtrans-63.3-41.8176.4-72.90000112.2V28 D29 W34 R35 V36 Y211V28-C32 WeakPolarHBondContact O-CB 3.27Å; V28-C32 PolarHBondContact O-N 3.24Å; V28-C32 PolarHBondContact O-SG 2.86Å; D29-C32 CarbonylContact O-C 3.58Å; D29-C32 WeakPolarHBondContact O-CB 3.42Å; D29-C32 PolarHBondContact O-N 3.22Å; D29-C32 VanDerWaalsContact O-N 3.12Å; C32-W34 VanDerWaalsContact C-N 3.32Å; C32-W34 PolarHBondContact O-N 3Å; C32-R35 WeakPolarHBondContact O-CB 3.5Å; C32-R35 PolarHBondContact O-N 2.85Å; C32-V36 WeakPolarHBondContact O-CG2 3.17Å; C32-V36 PolarHBondContact O-N 3.07Å; C32-V36 VanDerWaalsContact O-N 3.1Å; C32-Y211 WeakPolarHBondContact CB-O 3.15Å
33T98.9Very high98.1Very high0 Ų021.4 Ų21.40%010%0.095CC..Hα-helixtrans-58.3-46.7175.1-55.50000110.4D29 G30 R35 V36 L37 I76 S190 S191 M194D29-T33 WeakPolarHBondContact O-CB 3.28Å; D29-T33 PolarHBondContact O-N 3.45Å; D29-T33 PolarHBondContact O-OG1 3.47Å; D29-T33 PolarHBondContact OD1-OG1 3.15Å; G30-T33 PolarHBondContact O-N 2.92Å; T33-R35 PolarHBondContact O-N 2.79Å; T33-V36 PolarHBondContact O-N 3.46Å; T33-L37 PolarHBondContact O-N 3.04Å; T33-I76 HydrophobicContact CG2-CB 4.48Å; T33-I76 HydrophobicContact CG2-CD1 3.99Å; T33-I76 HydrophobicContact CG2-CG1 4.11Å; T33-I76 HydrophobicContact CG2-CG2 3.63Å; T33-S190 VanDerWaalsContact OG1-CB 3.23Å; T33-S190 WeakPolarHBondContact OG1-CB 3.5Å; T33-S191 VanDerWaalsContact OG1-CA 3.31Å; T33-S191 WeakPolarHBondContact OG1-CA 3.31Å; T33-S191 PolarHBondContact OG1-N 2.83Å; T33-M194 HydrophobicContact CG2-CB 4.22Å; T33-M194 HydrophobicContact CG2-CG 3.43Å; T33-M194 VanDerWaalsContact CG2-CG 3.43Å
34W98.6Very high97.9Very high1 Ų127.9 Ų27.90%0.00412%0.12CC..Hα-helixtrans-63.1-40.2175.6172.9-122.5000112.5V22 V24 G30 L31 C32 V36 L37 K38 F41 Y48 L50 I76 F394V22-W34 HydrophobicContact CB-CZ3 4.3Å; V22-W34 HydrophobicContact CG1-CE3 3.88Å; V22-W34 HydrophobicContact CG1-CZ3 3.88Å; V22-W34 HydrophobicContact CG2-CZ3 4.1Å; V24-W34 HydrophobicContact CG1-CB 4.39Å; V24-W34 HydrophobicContact CG2-CB 4.26Å; V24-W34 HydrophobicContact CG2-CG 4.46Å; G30-W34 WeakPolarHBondContact O-CB 3.37Å; G30-W34 PolarHBondContact O-N 3.03Å; L31-W34 PolarHBondContact O-N 2.8Å; C32-W34 VanDerWaalsContact C-N 3.32Å; C32-W34 PolarHBondContact O-N 3Å; W34-V36 VanDerWaalsContact C-N 3.28Å; W34-V36 PolarHBondContact O-N 3.33Å; W34-L37 HydrophobicContact CE3-CB 4.37Å; W34-L37 HydrophobicContact CE3-CD2 4.44Å; W34-L37 HydrophobicContact CZ3-CD2 4.4Å; W34-L37 PolarHBondContact O-N 2.84Å; W34-K38 HydrophobicContact CD2-CB 4.19Å; W34-K38 HydrophobicContact CE3-CB 4.37Å; W34-K38 HydrophobicContact CH2-CB 4.01Å; W34-K38 HydrophobicContact CH2-CG 4.26Å; W34-K38 HydrophobicContact CZ2-CB 3.83Å; W34-K38 HydrophobicContact CZ2-CD 3.84Å; W34-K38 HydrophobicContact CZ2-CG 3.86Å; W34-K38 HydrophobicContact CZ3-CB 4.28Å; W34-K38 WeakPolarHBondContact O-CB 3.24Å; W34-K38 PolarHBondContact O-N 3.08Å; W34-F41 HydrophobicContact CZ3-CD2 4.39Å; W34-F41 HydrophobicContact CZ3-CE2 4.49Å; W34-Y48 HydrophobicContact CH2-CD1 4.28Å; W34-Y48 AromaticContact CH2-CD2 3.52Å; W34-Y48 HydrophobicContact CH2-CD2 3.52Å; W34-Y48 HydrophobicContact CH2-CE1 4.05Å; W34-Y48 AromaticContact CH2-CE2 3.26Å; W34-Y48 HydrophobicContact CH2-CE2 3.26Å; W34-Y48 HydrophobicContact CH2-CG 4.03Å; W34-Y48 AromaticContact CH2-CZ 3.53Å; W34-Y48 HydrophobicContact CZ2-CD2 4.07Å; W34-Y48 AromaticContact CZ2-CE2 3.39Å; W34-Y48 HydrophobicContact CZ2-CE2 3.39Å; W34-Y48 AromaticContact CZ2-CZ 3.67Å; W34-L50 HydrophobicContact CD2-CD1 3.86Å; W34-L50 HydrophobicContact CD2-CD2 4.48Å; W34-L50 HydrophobicContact CE3-CD1 4.21Å; W34-L50 HydrophobicContact CG-CD1 4.3Å; W34-L50 HydrophobicContact CH2-CD1 4.43Å; W34-L50 HydrophobicContact CZ2-CB 4.26Å; W34-L50 HydrophobicContact CZ2-CD1 4.06Å; W34-L50 HydrophobicContact CZ2-CD2 3.88Å; W34-L50 HydrophobicContact CZ2-CG 4.3Å; W34-L50 HydrophobicContact CZ3-CD1 4.49Å; W34-L50 VanDerWaalsContact NE1-CD2 3.34Å; W34-I76 HydrophobicContact CB-CD1 4.42Å; W34-I76 HydrophobicContact CE3-CD1 4.44Å; W34-F394 AromaticContact CD1-CE1 3.8Å
35R97.6Very high97.8Very high53 Ų5334.5 Ų34.520%0.216%0.155CC..Hα-helixtrans-57.2-42.2175.2-74.4-67.7-58.6173.11.1111.9L31 C32 T33 E39 Y211 L398 V401L31-R35 HydrophobicContact CD2-CG 4.34Å; L31-R35 WeakPolarHBondContact O-CG 3.42Å; L31-R35 PolarHBondContact O-N 3.11Å; C32-R35 WeakPolarHBondContact O-CB 3.5Å; C32-R35 PolarHBondContact O-N 2.85Å; T33-R35 PolarHBondContact O-N 2.79Å; R35-E39 PolarHBondContact O-N 2.9Å; R35-Y211 HydrophobicContact CB-CD1 4.19Å; R35-Y211 HydrophobicContact CB-CD2 3.54Å; R35-Y211 HydrophobicContact CB-CE1 4.34Å; R35-Y211 HydrophobicContact CB-CE2 3.7Å; R35-Y211 HydrophobicContact CB-CG 3.83Å; R35-Y211 HydrophobicContact CG-CD1 4.33Å; R35-Y211 HydrophobicContact CG-CD2 4.43Å; R35-Y211 HydrophobicContact CG-CE1 4.23Å; R35-Y211 HydrophobicContact CG-CE2 4.31Å; R35-Y211 HydrophobicContact CG-CG 4.46Å; R35-Y211 PolarHBondContact NE-OH 3.08Å; R35-Y211 PolarHBondContact NH2-OH 3.26Å; R35-L398 HydrophobicContact CG-CD2 3.62Å; R35-V401 HydrophobicContact CG-CG1 4.3Å
36V98.5Very high97.8Very high0 Ų034 Ų340%015%0.154CC..Hα-helixtrans-67.7-53.1177-178.30000110.8C32 T33 W34 K38 E39 L40 M194 A198 L208 Y211C32-V36 WeakPolarHBondContact O-CG2 3.17Å; C32-V36 PolarHBondContact O-N 3.07Å; C32-V36 VanDerWaalsContact O-N 3.1Å; T33-V36 PolarHBondContact O-N 3.46Å; W34-V36 VanDerWaalsContact C-N 3.28Å; W34-V36 PolarHBondContact O-N 3.33Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.23Å; V36-E39 PolarHBondContact O-N 3.16Å; V36-E39 VanDerWaalsContact O-N 3.17Å; V36-L40 PolarHBondContact O-N 2.9Å; V36-M194 HydrophobicContact CB-CB 4Å; V36-M194 HydrophobicContact CG1-CB 3.85Å; V36-M194 WeakPolarHBondContact CG1-O 3.46Å; V36-A198 HydrophobicContact CG1-CB 4.24Å; V36-L208 HydrophobicContact CB-CD2 4.49Å; V36-L208 HydrophobicContact CG1-CD1 4.46Å; V36-L208 HydrophobicContact CG1-CD2 4.45Å; V36-L208 HydrophobicContact CG2-CB 4.49Å; V36-L208 HydrophobicContact CG2-CD2 4.32Å; V36-Y211 HydrophobicContact CG2-CD2 4.24Å
37L98.6Very high97.8Very high0 Ų039.5 Ų39.50%018%0.182CC..Hα-helixtrans-60.6-39.2-177.7-174.361.5000112.6F11 T33 W34 E39 L40 F41 V74 I76 M194F11-L37 HydrophobicContact CE1-CD1 4.27Å; F11-L37 HydrophobicContact CZ-CD1 4.08Å; T33-L37 PolarHBondContact O-N 3.04Å; W34-L37 HydrophobicContact CE3-CB 4.37Å; W34-L37 HydrophobicContact CE3-CD2 4.44Å; W34-L37 HydrophobicContact CZ3-CD2 4.4Å; W34-L37 PolarHBondContact O-N 2.84Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.29Å; L37-L40 PolarHBondContact O-N 3.37Å; L37-F41 HydrophobicContact CD1-CD1 3.86Å; L37-F41 HydrophobicContact CD1-CE1 3.43Å; L37-F41 VanDerWaalsContact CD1-CE1 3.43Å; L37-F41 HydrophobicContact CD1-CZ 3.88Å; L37-F41 HydrophobicContact CD2-CE1 4.31Å; L37-F41 HydrophobicContact CD2-CE2 4.23Å; L37-F41 HydrophobicContact CD2-CZ 3.89Å; L37-F41 HydrophobicContact CG-CD1 4.14Å; L37-F41 HydrophobicContact CG-CD2 4.48Å; L37-F41 HydrophobicContact CG-CE1 3.83Å; L37-F41 HydrophobicContact CG-CE2 4.19Å; L37-F41 HydrophobicContact CG-CG 4.47Å; L37-F41 HydrophobicContact CG-CZ 3.85Å; L37-F41 WeakPolarHBondContact O-CB 3.1Å; L37-F41 WeakPolarHBondContact O-CG 3.5Å; L37-F41 PolarHBondContact O-N 2.89Å; L37-V74 HydrophobicContact CD2-CG1 4.05Å; L37-I76 HydrophobicContact CD2-CD1 3.95Å; L37-M194 HydrophobicContact CD1-SD 4.13Å
38K97.9Very high97.7Very high67 Ų6742.3 Ų42.329%0.29119%0.192SC..Hα-helixtrans-60.1-40.5177.7-177.1178.9179.8177.20112.2W34 V36 K42W34-K38 HydrophobicContact CD2-CB 4.19Å; W34-K38 HydrophobicContact CE3-CB 4.37Å; W34-K38 HydrophobicContact CH2-CB 4.01Å; W34-K38 HydrophobicContact CH2-CG 4.26Å; W34-K38 HydrophobicContact CZ2-CB 3.83Å; W34-K38 HydrophobicContact CZ2-CD 3.84Å; W34-K38 HydrophobicContact CZ2-CG 3.86Å; W34-K38 HydrophobicContact CZ3-CB 4.28Å; W34-K38 WeakPolarHBondContact O-CB 3.24Å; W34-K38 PolarHBondContact O-N 3.08Å; V36-K38 VanDerWaalsContact C-N 3.3Å; V36-K38 PolarHBondContact O-N 3.23Å; K38-K42 WeakPolarHBondContact O-CB 3.45Å; K38-K42 PolarHBondContact O-N 3.25Å
39E97Very high97.7Very high50 Ų5044.2 Ų44.223%0.23420%0.203CC..Hα-helixtrans-69.5-38.7177.5-166.862-153.300111.2R35 V36 L37 K42 H43 L208R35-E39 PolarHBondContact O-N 2.9Å; V36-E39 PolarHBondContact O-N 3.16Å; V36-E39 VanDerWaalsContact O-N 3.17Å; L37-E39 VanDerWaalsContact C-N 3.33Å; L37-E39 PolarHBondContact O-N 3.29Å; E39-K42 WeakPolarHBondContact O-CB 3.36Å; E39-K42 PolarHBondContact O-N 3.5Å; E39-K42 IonicContact OE1-NZ 3.59Å; E39-K42 PolarHBondContact OE1-NZ 2.85Å; E39-K42 IonicContact OE2-NZ 2.82Å; E39-K42 PolarHBondContact OE2-NZ 2.97Å; E39-H43 PolarHBondContact O-CD2 3.25Å; E39-H43 PolarHBondContact O-N 2.9Å; E39-H43 VanDerWaalsContact O-N 3.14Å; E39-H43 IonicContact OE1-NE2 2.86Å; E39-L208 HydrophobicContact CB-CD2 4.1Å; E39-L208 HydrophobicContact CG-CD2 4.5Å
40L97.9Very high97.7Very high0 Ų046.8 Ų46.80%022%0.217CC..Hα-helixtrans-60.6-51172.9-58.5179.9000110.8Y12 V36 L37 K42 H43 R44 L197 A198 L201 Q203Y12-L40 HydrophobicContact CE2-CB 3.86Å; Y12-L40 VanDerWaalsContact OH-C 3.24Å; Y12-L40 PolarHBondContact OH-O 2.9Å; V36-L40 PolarHBondContact O-N 2.9Å; L37-L40 PolarHBondContact O-N 3.37Å; L40-K42 PolarHBondContact O-N 3.08Å; L40-H43 WeakPolarHBondContact O-CB 3.38Å; L40-H43 PolarHBondContact O-N 3.19Å; L40-R44 PolarHBondContact O-N 3.47Å; L40-L197 HydrophobicContact CD1-CD2 3.77Å; L40-L197 HydrophobicContact CD1-CG 3.93Å; L40-A198 HydrophobicContact CD1-CB 4.34Å; L40-A198 HydrophobicContact CD2-CB 3.84Å; L40-L201 HydrophobicContact CD1-CD1 4.31Å; L40-L201 HydrophobicContact CD2-CD1 4.22Å; L40-Q203 HydrophobicContact CD2-CB 3.98Å
41F98.1Very high97.6Very high1 Ų148.2 Ų48.20%0.00423%0.226CC..Hα-helixtrans-54.6-39.6177.6-80.89.5000112.5Y12 V15 V20 V22 W34 L37 R44 N45 V46 Y48Y12-F41 HydrophobicContact CE2-CD1 4.11Å; Y12-F41 HydrophobicContact CE2-CE1 4.39Å; V15-F41 HydrophobicContact CG1-CD1 4.5Å; V15-F41 HydrophobicContact CG1-CE1 3.54Å; V15-F41 HydrophobicContact CG1-CZ 3.67Å; V20-F41 HydrophobicContact CG1-CZ 4.48Å; V20-F41 HydrophobicContact CG2-CZ 4.47Å; V22-F41 HydrophobicContact CG2-CE2 3.94Å; W34-F41 HydrophobicContact CZ3-CD2 4.39Å; W34-F41 HydrophobicContact CZ3-CE2 4.49Å; L37-F41 HydrophobicContact CD1-CD1 3.86Å; L37-F41 HydrophobicContact CD1-CE1 3.43Å; L37-F41 VanDerWaalsContact CD1-CE1 3.43Å; L37-F41 HydrophobicContact CD1-CZ 3.88Å; L37-F41 HydrophobicContact CD2-CE1 4.31Å; L37-F41 HydrophobicContact CD2-CE2 4.23Å; L37-F41 HydrophobicContact CD2-CZ 3.89Å; L37-F41 HydrophobicContact CG-CD1 4.14Å; L37-F41 HydrophobicContact CG-CD2 4.48Å; L37-F41 HydrophobicContact CG-CE1 3.83Å; L37-F41 HydrophobicContact CG-CE2 4.19Å; L37-F41 HydrophobicContact CG-CG 4.47Å; L37-F41 HydrophobicContact CG-CZ 3.85Å; L37-F41 WeakPolarHBondContact O-CB 3.1Å; L37-F41 WeakPolarHBondContact O-CG 3.5Å; L37-F41 PolarHBondContact O-N 2.89Å; F41-R44 CarbonylContact O-C 3.56Å; F41-R44 PolarHBondContact O-N 2.78Å; F41-N45 WeakPolarHBondContact O-CA 3.46Å; F41-N45 PolarHBondContact O-N 2.89Å; F41-V46 HydrophobicContact CB-CB 3.88Å; F41-V46 HydrophobicContact CB-CG2 4.41Å; F41-V46 HydrophobicContact CD1-CB 3.87Å; F41-V46 HydrophobicContact CD1-CG1 4.02Å; F41-V46 HydrophobicContact CD1-CG2 3.93Å; F41-V46 HydrophobicContact CD2-CB 4.16Å; F41-V46 HydrophobicContact CD2-CG1 4Å; F41-V46 HydrophobicContact CE1-CB 4.42Å; F41-V46 HydrophobicContact CE1-CG1 4.09Å; F41-V46 HydrophobicContact CE1-CG2 4.45Å; F41-V46 HydrophobicContact CE2-CG1 4.06Å; F41-V46 HydrophobicContact CG-CB 3.71Å; F41-V46 HydrophobicContact CG-CG1 3.97Å; F41-V46 HydrophobicContact CG-CG2 4.24Å; F41-V46 HydrophobicContact CZ-CG1 4.11Å; F41-V46 PolarHBondContact O-N 3.1Å; F41-Y48 HydrophobicContact CB-CD1 4.44Å; F41-Y48 AromaticContact CD2-CD1 3.65Å; F41-Y48 HydrophobicContact CD2-CD1 3.65Å; F41-Y48 HydrophobicContact CD2-CE1 4.34Å; F41-Y48 HydrophobicContact CD2-CG 4.06Å; F41-Y48 HydrophobicContact CE2-CD1 4.44Å; F41-Y48 HydrophobicContact CE2-CG 4.44Å
42K96.8Very high97.6Very high131 Ų13149.3 Ų49.357%0.5723%0.231SC*.Hα-helixtrans-63.6-40.1175.1179.2-176160.6-147.60112.5K38 E39 L40 R44 N45K38-K42 WeakPolarHBondContact O-CB 3.45Å; K38-K42 PolarHBondContact O-N 3.25Å; E39-K42 WeakPolarHBondContact O-CB 3.36Å; E39-K42 PolarHBondContact O-N 3.5Å; E39-K42 IonicContact OE1-NZ 3.59Å; E39-K42 PolarHBondContact OE1-NZ 2.85Å; E39-K42 IonicContact OE2-NZ 2.82Å; E39-K42 PolarHBondContact OE2-NZ 2.97Å; L40-K42 PolarHBondContact O-N 3.08Å; K42-R44 PolarHBondContact O-N 2.81Å; K42-N45 PolarHBondContact O-N 2.85Å
43H94.5Very high97.6Very high94 Ų9449.3 Ų49.344%0.43523%0.231SC..Hα-helixtrans-62.3-28.5176.9-76.1-61.3000113.7E39 L40E39-H43 PolarHBondContact O-CD2 3.25Å; E39-H43 PolarHBondContact O-N 2.9Å; E39-H43 VanDerWaalsContact O-N 3.14Å; E39-H43 IonicContact OE1-NE2 2.86Å; L40-H43 WeakPolarHBondContact O-CB 3.38Å; L40-H43 PolarHBondContact O-N 3.19Å
44R95.8Very high97.4Very high136 Ų13654.2 Ų54.251%0.51325%0.252SS..THydrogen-bonded Turntrans-112.110.5-179.7-66.5-68-110.5-98.7-3.2114.1Y12 V16 L40 F41 K42 V46Y12-R44 HydrophobicContact CE1-CG 3.92Å; Y12-R44 WeakPolarHBondContact OH-CG 3.3Å; V16-R44 HydrophobicContact CG2-CB 3.88Å; V16-R44 HydrophobicContact CG2-CG 4.15Å; L40-R44 PolarHBondContact O-N 3.47Å; F41-R44 CarbonylContact O-C 3.56Å; F41-R44 PolarHBondContact O-N 2.78Å; K42-R44 PolarHBondContact O-N 2.81Å; R44-V46 HydrophobicContact CB-CG2 4.1Å; R44-V46 PolarHBondContact O-N 2.81Å
45N96.1Very high97.2Very high139 Ų13954.6 Ų54.674%0.74326%0.255SS*.THydrogen-bonded Turntrans50.139.4-177.2-58.4-53.9000113.4F41 K42 L47F41-N45 WeakPolarHBondContact O-CA 3.46Å; F41-N45 PolarHBondContact O-N 2.89Å; K42-N45 PolarHBondContact O-N 2.85Å; N45-L47 PolarHBondContact O-N 2.81Å
46V97.9Very high97.2Very high9 Ų954 Ų546%0.05525%0.254CS..  trans-67126.2176.6-179.50000108.8V15 V16 V20 F41 R44V15-V46 HydrophobicContact CG1-CG1 3.71Å; V15-V46 HydrophobicContact CG1-CG2 4.44Å; V16-V46 HydrophobicContact CG2-CG2 4.01Å; V20-V46 HydrophobicContact CG2-CG1 3.9Å; F41-V46 HydrophobicContact CB-CB 3.88Å; F41-V46 HydrophobicContact CB-CG2 4.41Å; F41-V46 HydrophobicContact CD1-CB 3.87Å; F41-V46 HydrophobicContact CD1-CG1 4.02Å; F41-V46 HydrophobicContact CD1-CG2 3.93Å; F41-V46 HydrophobicContact CD2-CB 4.16Å; F41-V46 HydrophobicContact CD2-CG1 4Å; F41-V46 HydrophobicContact CE1-CB 4.42Å; F41-V46 HydrophobicContact CE1-CG1 4.09Å; F41-V46 HydrophobicContact CE1-CG2 4.45Å; F41-V46 HydrophobicContact CE2-CG1 4.06Å; F41-V46 HydrophobicContact CG-CB 3.71Å; F41-V46 HydrophobicContact CG-CG1 3.97Å; F41-V46 HydrophobicContact CG-CG2 4.24Å; F41-V46 HydrophobicContact CZ-CG1 4.11Å; F41-V46 PolarHBondContact O-N 3.1Å; R44-V46 HydrophobicContact CB-CG2 4.1Å; R44-V46 PolarHBondContact O-N 2.81Å
47L97.5Very high97.1Very high124 Ų12455.5 Ų55.565%0.64927%0.268SS*.EExtended strand (participates in β ladder)trans-81.7129.7176-63.3178000109.3R19 V20 N45R19-L47 CarbonylContact C-O 3.55Å; R19-L47 WeakPolarHBondContact CA-O 3.37Å; R19-L47 HydrophobicContact CG-CB 4.28Å; V20-L47 PolarHBondContact N-O 3.02Å; N45-L47 PolarHBondContact O-N 2.81Å
48Y97.7Very high97Very high82 Ų8256.9 Ų56.932%0.32228%0.276SS..EExtended strand (participates in β ladder)trans-140.1162.9-179.465.8-91.2000112.6V20 W34 F41 L50V20-Y48 CarbonylContact O-C 3.55Å; V20-Y48 WeakPolarHBondContact O-CA 3.49Å; W34-Y48 HydrophobicContact CH2-CD1 4.28Å; W34-Y48 AromaticContact CH2-CD2 3.52Å; W34-Y48 HydrophobicContact CH2-CD2 3.52Å; W34-Y48 HydrophobicContact CH2-CE1 4.05Å; W34-Y48 AromaticContact CH2-CE2 3.26Å; W34-Y48 HydrophobicContact CH2-CE2 3.26Å; W34-Y48 HydrophobicContact CH2-CG 4.03Å; W34-Y48 AromaticContact CH2-CZ 3.53Å; W34-Y48 HydrophobicContact CZ2-CD2 4.07Å; W34-Y48 AromaticContact CZ2-CE2 3.39Å; W34-Y48 HydrophobicContact CZ2-CE2 3.39Å; W34-Y48 AromaticContact CZ2-CZ 3.67Å; F41-Y48 HydrophobicContact CB-CD1 4.44Å; F41-Y48 AromaticContact CD2-CD1 3.65Å; F41-Y48 HydrophobicContact CD2-CD1 3.65Å; F41-Y48 HydrophobicContact CD2-CE1 4.34Å; F41-Y48 HydrophobicContact CD2-CG 4.06Å; F41-Y48 HydrophobicContact CE2-CD1 4.44Å; F41-Y48 HydrophobicContact CE2-CG 4.44Å; Y48-L50 HydrophobicContact CD2-CB 4.2Å; Y48-L50 HydrophobicContact CE2-CB 4.15Å
49T98Very high97Very high39 Ų3953.7 Ų53.724%0.23926%0.262CS..EExtended strand (participates in β ladder)trans-125.1116164.7-640000107.4R19 V20 V22 V51 F70R19-T49 PolarHBondContact NH2-OG1 2.79Å; V20-T49 PolarHBondContact O-N 3.44Å; V22-T49 PolarHBondContact N-O 3.49Å; T49-V51 HydrophobicContact CG2-CG2 4.39Å; T49-F70 VanDerWaalsContact CB-CZ 3.48Å; T49-F70 HydrophobicContact CG2-CZ 4.2Å; T49-F70 WeakPolarHBondContact OG1-CZ 3.11Å
50L98.1Very high97Very high56 Ų5656.3 Ų56.329%0.29327%0.273SS..EExtended strand (participates in β ladder)trans-87.7127.8179.2176.369.4000109.1V22 V24 W34 Y48 I52 F394V22-L50 HydrophobicContact CB-CD1 4.28Å; V22-L50 HydrophobicContact CG1-CD1 4.11Å; V22-L50 WeakPolarHBondContact O-CA 3.27Å; V24-L50 HydrophobicContact CB-CD1 4.41Å; V24-L50 HydrophobicContact CG2-CD1 3.5Å; V24-L50 VanDerWaalsContact CG2-CD1 3.5Å; W34-L50 HydrophobicContact CD2-CD1 3.86Å; W34-L50 HydrophobicContact CD2-CD2 4.48Å; W34-L50 HydrophobicContact CE3-CD1 4.21Å; W34-L50 HydrophobicContact CG-CD1 4.3Å; W34-L50 HydrophobicContact CH2-CD1 4.43Å; W34-L50 HydrophobicContact CZ2-CB 4.26Å; W34-L50 HydrophobicContact CZ2-CD1 4.06Å; W34-L50 HydrophobicContact CZ2-CD2 3.88Å; W34-L50 HydrophobicContact CZ2-CG 4.3Å; W34-L50 HydrophobicContact CZ3-CD1 4.49Å; W34-L50 VanDerWaalsContact NE1-CD2 3.34Å; Y48-L50 HydrophobicContact CD2-CB 4.2Å; Y48-L50 HydrophobicContact CE2-CB 4.15Å; L50-I52 HydrophobicContact CD1-CD1 3.95Å; L50-I52 HydrophobicContact CD2-CD1 4.06Å; L50-I52 HydrophobicContact CG-CD1 3.89Å; L50-F394 HydrophobicContact CD2-CE1 4.39Å
51V98.1Very high96.9Very high31 Ų3160.6 Ų60.619%0.18830%0.296CS..EExtended strand (participates in β ladder)trans-127.2133169.7-169.20000109.2L21 V22 C23 V24 T49 V53 T62L21-V51 HydrophobicContact CD1-CG2 3.93Å; V22-V51 PolarHBondContact O-N 2.77Å; C23-V51 CarbonylContact C-O 3.59Å; C23-V51 VanDerWaalsContact CA-O 3.31Å; C23-V51 WeakPolarHBondContact CA-O 3.32Å; V24-V51 PolarHBondContact N-O 3.41Å; T49-V51 HydrophobicContact CG2-CG2 4.39Å; V51-V53 HydrophobicContact CG1-CG1 4.41Å; V51-T62 HydrophobicContact CB-CG2 3.68Å; V51-T62 HydrophobicContact CG1-CG2 3.4Å; V51-T62 HydrophobicContact CG2-CG2 3.89Å
52I98.4Very high96.8Very high22 Ų2261 Ų6111%0.11330%0.299CS..EExtended strand (participates in β ladder)trans-96123.2177.3-49.1-52.6000107.4V24 P26 L50 V391 F394V24-I52 HydrophobicContact CB-CD1 4.02Å; V24-I52 CarbonylContact O-C 3.57Å; V24-I52 WeakPolarHBondContact O-CA 3.18Å; P26-I52 HydrophobicContact CB-CG2 3.59Å; P26-I52 HydrophobicContact CG-CG2 3.88Å; L50-I52 HydrophobicContact CD1-CD1 3.95Å; L50-I52 HydrophobicContact CD2-CD1 4.06Å; L50-I52 HydrophobicContact CG-CD1 3.89Å; I52-V391 HydrophobicContact CB-CG1 4.22Å; I52-V391 HydrophobicContact CG2-CB 4.47Å; I52-V391 HydrophobicContact CG2-CG2 4.1Å; I52-F394 HydrophobicContact CD1-CD1 3.45Å; I52-F394 VanDerWaalsContact CD1-CD1 3.45Å; I52-F394 HydrophobicContact CD1-CD2 4.04Å; I52-F394 HydrophobicContact CD1-CE1 3.37Å; I52-F394 HydrophobicContact CD1-CE2 3.98Å; I52-F394 HydrophobicContact CD1-CG 3.79Å; I52-F394 HydrophobicContact CD1-CZ 3.66Å; I52-F394 HydrophobicContact CG1-CB 4.15Å; I52-F394 HydrophobicContact CG1-CD1 3.84Å; I52-F394 HydrophobicContact CG1-CD2 4.29Å; I52-F394 HydrophobicContact CG1-CE1 4.27Å; I52-F394 HydrophobicContact CG1-CG 3.83Å; I52-F394 HydrophobicContact CG2-CB 4.48Å; I52-F394 HydrophobicContact CG2-CD2 4Å; I52-F394 HydrophobicContact CG2-CE2 4.48Å; I52-F394 HydrophobicContact CG2-CG 4.26Å
53V97.5Very high96.8Very high0 Ų055 Ų550%027%0.272CS..  trans-114.5124.1-172.7-64.90000110C23 V24 P26 V51 D58 L59 T62 F542C23-V53 HydrophobicContact CB-CG1 4.15Å; C23-V53 HydrophobicContact CB-CG2 4.25Å; V24-V53 PolarHBondContact O-N 2.96Å; P26-V53 WeakPolarHBondContact CD-O 3.35Å; V51-V53 HydrophobicContact CG1-CG1 4.41Å; V53-D58 WeakPolarHBondContact CA-OD2 3.45Å; V53-L59 HydrophobicContact CB-CB 4.27Å; V53-L59 HydrophobicContact CG1-CB 4.32Å; V53-L59 HydrophobicContact CG1-CD1 4.12Å; V53-L59 HydrophobicContact CG2-CB 4.44Å; V53-L59 HydrophobicContact CG2-CD1 4.32Å; V53-T62 HydrophobicContact CG1-CG2 4.25Å; V53-F542 HydrophobicContact CG2-CE2 4.47Å
54K94.7Very high96.9Very high103 Ų10354 Ų5445%0.44828%0.275SS..  trans-85.5-24.5-17474.9-158.1174.1-168.80114.2Y25 D58 V391Y25-K54 WeakPolarHBondContact CE2-O 3.25Å; K54-D58 HydrophobicContact CD-CB 4.37Å; K54-D58 HydrophobicContact CG-CB 3.88Å; K54-D58 WeakPolarHBondContact CG-OD2 3.37Å; K54-D58 PolarHBondContact N-OD2 2.98Å; K54-V391 HydrophobicContact CB-CG2 4.06Å
55D95.6Very high97Very high10 Ų1054.7 Ų54.75%0.05328%0.282CS..SBendtrans-162.4179.6-175.26247000111.4G57 D58 L59 K540D55-G57 VanDerWaalsContact C-N 3.34Å; D55-G57 PolarHBondContact O-N 3.18Å; D55-G57 WeakPolarHBondContact OD1-CA 3.15Å; D55-G57 PolarHBondContact OD1-N 2.85Å; D55-D58 PolarHBondContact O-N 3.06Å; D55-D58 WeakPolarHBondContact OD1-CB 3.31Å; D55-D58 PolarHBondContact OD1-N 3.03Å; D55-L59 PolarHBondContact O-N 3.33Å; D55-K540 HydrophobicContact CB-CG 3.98Å; D55-K540 WeakPolarHBondContact CB-O 3.21Å; D55-K540 WeakPolarHBondContact OD2-CE 3.37Å; D55-K540 IonicContact OD2-NZ 3.71Å
56K96.7Very high96.9Very high41 Ų4149.7 Ų49.718%0.17826%0.256CS..Hα-helixtrans-64.3-36.5-177.7-68.7172.7-178.5159.90112.8L59 K60 F82 F539 K540 Y541 F542K56-L59 PolarHBondContact O-N 3.46Å; K56-K60 PolarHBondContact O-N 3.14Å; K56-F82 HydrophobicContact CD-CD1 4.37Å; K56-F82 HydrophobicContact CD-CG 4.45Å; K56-F82 HydrophobicContact CG-CD1 4.28Å; K56-F82 HydrophobicContact CG-CE1 4.44Å; K56-F539 WeakPolarHBondContact CD-O 3.08Å; K56-F539 PolarHBondContact NZ-O 3.03Å; K56-K540 WeakPolarHBondContact CB-O 3.38Å; K56-K540 PolarHBondContact N-O 3.45Å; K56-K540 VanDerWaalsContact N-O 3.07Å; K56-Y541 WeakPolarHBondContact CE-O 3.37Å; K56-Y541 PolarHBondContact NZ-O 3.2Å; K56-Y541 VanDerWaalsContact NZ-O 3.08Å; K56-F542 HydrophobicContact CB-CE1 4.4Å; K56-F542 HydrophobicContact CG-CD1 3.77Å; K56-F542 HydrophobicContact CG-CE1 3.59Å; K56-F542 HydrophobicContact CG-CZ 4.34Å
57G95.7Very high96.7Very high30 Ų3051.9 Ų51.931%0.30926%0.263SS..Hα-helixtrans-66.7-4517800000111.4D55 L59 K60 D61D55-G57 VanDerWaalsContact C-N 3.34Å; D55-G57 PolarHBondContact O-N 3.18Å; D55-G57 WeakPolarHBondContact OD1-CA 3.15Å; D55-G57 PolarHBondContact OD1-N 2.85Å; G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.9Å; G57-K60 WeakPolarHBondContact O-CB 3.47Å; G57-K60 PolarHBondContact O-N 3.3Å; G57-D61 PolarHBondContact O-N 2.97Å
58D96.5Very high96.6Very high30 Ų3051.7 Ų51.716%0.1626%0.263CS..Hα-helixtrans-63.8-37.6176.8-163.432.3000112.5V53 K54 D55 T62V53-D58 WeakPolarHBondContact CA-OD2 3.45Å; K54-D58 HydrophobicContact CD-CB 4.37Å; K54-D58 HydrophobicContact CG-CB 3.88Å; K54-D58 WeakPolarHBondContact CG-OD2 3.37Å; K54-D58 PolarHBondContact N-OD2 2.98Å; D55-D58 PolarHBondContact O-N 3.06Å; D55-D58 WeakPolarHBondContact OD1-CB 3.31Å; D55-D58 PolarHBondContact OD1-N 3.03Å; D58-T62 WeakPolarHBondContact O-CB 3.26Å; D58-T62 PolarHBondContact O-N 2.77Å; D58-T62 PolarHBondContact O-OG1 3.45Å
59L97.8Very high96.4Very high0 Ų054.3 Ų54.30%028%0.276CS..Hα-helixtrans-62.6-44.2172.5176.760.4000111.7C23 V53 D55 K56 G57 T62 Y63 F75 C78 F82 F542C23-L59 HydrophobicContact CB-CD1 3.73Å; V53-L59 HydrophobicContact CB-CB 4.27Å; V53-L59 HydrophobicContact CG1-CB 4.32Å; V53-L59 HydrophobicContact CG1-CD1 4.12Å; V53-L59 HydrophobicContact CG2-CB 4.44Å; V53-L59 HydrophobicContact CG2-CD1 4.32Å; D55-L59 PolarHBondContact O-N 3.33Å; K56-L59 PolarHBondContact O-N 3.46Å; G57-L59 VanDerWaalsContact C-N 3.33Å; G57-L59 PolarHBondContact O-N 2.9Å; L59-T62 PolarHBondContact O-N 3.02Å; L59-Y63 WeakPolarHBondContact O-CB 3.48Å; L59-Y63 PolarHBondContact O-N 2.75Å; L59-F75 HydrophobicContact CD1-CD1 4.35Å; L59-F75 HydrophobicContact CD1-CE1 3.92Å; L59-F75 HydrophobicContact CD1-CE2 4.27Å; L59-F75 HydrophobicContact CD1-CZ 3.86Å; L59-F75 HydrophobicContact CD2-CD2 4.39Å; L59-F75 HydrophobicContact CD2-CE2 4.17Å; L59-C78 HydrophobicContact CD2-CB 4.27Å; L59-F82 HydrophobicContact CD2-CE1 4.03Å; L59-F82 HydrophobicContact CD2-CZ 3.65Å; L59-F542 HydrophobicContact CB-CZ 4.18Å; L59-F542 HydrophobicContact CD2-CE1 3.96Å; L59-F542 HydrophobicContact CD2-CZ 3.92Å
60K97.4Very high96.3Very high104 Ų10452.8 Ų52.845%0.45227%0.266SS..Hα-helixtrans-62-48.8176.7-177.3175.4-179.2169.60112K56 G57 T62 Y63 S64 N87 L88K56-K60 PolarHBondContact O-N 3.14Å; G57-K60 WeakPolarHBondContact O-CB 3.47Å; G57-K60 PolarHBondContact O-N 3.3Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 2.91Å; K60-Y63 PolarHBondContact O-N 2.87Å; K60-S64 WeakPolarHBondContact O-CB 3.37Å; K60-S64 PolarHBondContact O-N 3.49Å; K60-N87 VanDerWaalsContact CE-O 3.27Å; K60-N87 WeakPolarHBondContact CE-O 3.37Å; K60-L88 HydrophobicContact CB-CD2 3.99Å; K60-L88 HydrophobicContact CG-CD2 4.16Å
61D97Very high96.2Very high90 Ų9055.6 Ų55.648%0.48128%0.278SS..Hα-helixtrans-62.9-42.4178.7-74.3-9.9000111.7G57 K65G57-D61 PolarHBondContact O-N 2.97Å; D61-K65 WeakPolarHBondContact O-CD 3.45Å; D61-K65 VanDerWaalsContact O-CG 3.28Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.32Å; D61-K65 VanDerWaalsContact O-N 3.12Å
62T95.8Very high96.2Very high11 Ų1154.7 Ų54.77%0.06727%0.272CS..Hα-helixtrans-62.5-49.6177.3-71.30000111.2V51 V53 D58 L59 K60 K65 N66V51-T62 HydrophobicContact CB-CG2 3.68Å; V51-T62 HydrophobicContact CG1-CG2 3.4Å; V51-T62 HydrophobicContact CG2-CG2 3.89Å; V53-T62 HydrophobicContact CG1-CG2 4.25Å; D58-T62 WeakPolarHBondContact O-CB 3.26Å; D58-T62 PolarHBondContact O-N 2.77Å; D58-T62 PolarHBondContact O-OG1 3.45Å; L59-T62 PolarHBondContact O-N 3.02Å; K60-T62 VanDerWaalsContact C-N 3.34Å; K60-T62 PolarHBondContact O-N 2.91Å; T62-K65 PolarHBondContact O-N 2.76Å; T62-N66 PolarHBondContact O-N 3.35Å; T62-N66 PolarHBondContact O-ND2 3.48Å
63Y96.9Very high96.2Very high4 Ų453.7 Ų53.72%0.01627%0.267CS..Hα-helixtrans-62.2-46.7178.8178.1-100.8000110.8L21 L59 K60 K65 N66 R67 L88 P90 C94 F96L21-Y63 HydrophobicContact CD2-CD2 4.14Å; L59-Y63 WeakPolarHBondContact O-CB 3.48Å; L59-Y63 PolarHBondContact O-N 2.75Å; K60-Y63 PolarHBondContact O-N 2.87Å; Y63-K65 VanDerWaalsContact C-N 3.28Å; Y63-K65 PolarHBondContact O-N 3.09Å; Y63-N66 CarbonylContact O-C 3.44Å; Y63-N66 PolarHBondContact O-N 3.05Å; Y63-R67 HydrophobicContact CD1-CB 4.34Å; Y63-R67 HydrophobicContact CE1-CB 3.84Å; Y63-R67 HydrophobicContact CE2-CB 4.29Å; Y63-R67 WeakPolarHBondContact O-CB 3.45Å; Y63-R67 PolarHBondContact O-N 3.23Å; Y63-L88 HydrophobicContact CD1-CB 3.73Å; Y63-L88 HydrophobicContact CD1-CD1 4.06Å; Y63-L88 HydrophobicContact CD1-CD2 4.33Å; Y63-L88 HydrophobicContact CD1-CG 4.27Å; Y63-L88 HydrophobicContact CD2-CD1 4.41Å; Y63-L88 HydrophobicContact CE1-CB 3.95Å; Y63-L88 HydrophobicContact CG-CB 4.46Å; Y63-L88 HydrophobicContact CG-CD1 3.95Å; Y63-P90 HydrophobicContact CE1-CB 4.2Å; Y63-P90 WeakPolarHBondContact OH-CB 3.32Å; Y63-C94 PolarHBondContact OH-SG 3.29Å; Y63-F96 AromaticContact CD2-CE1 3.92Å; Y63-F96 HydrophobicContact CD2-CE1 3.92Å; Y63-F96 HydrophobicContact CD2-CZ 4.3Å; Y63-F96 HydrophobicContact CE1-CZ 4.25Å; Y63-F96 AromaticContact CE2-CE1 3.54Å; Y63-F96 HydrophobicContact CE2-CE1 3.54Å; Y63-F96 AromaticContact CE2-CZ 3.57Å; Y63-F96 HydrophobicContact CE2-CZ 3.57Å; Y63-F96 AromaticContact CZ-CZ 3.55Å
64S96.6Very high96.3Very high72 Ų7253.7 Ų53.750%0.50327%0.267SS..Hα-helixtrans-55.6-40.1179179.80000112.9K60 N66K60-S64 WeakPolarHBondContact O-CB 3.37Å; K60-S64 PolarHBondContact O-N 3.49Å; S64-N66 VanDerWaalsContact C-N 3.28Å; S64-N66 PolarHBondContact O-N 3.06Å
65K96.4Very high96.4Very high151 Ų15148.8 Ų48.866%0.65725%0.246SC*.Hα-helixtrans-70.3-21.7177.3-71166-172.5164.50114.1D61 T62 Y63D61-K65 WeakPolarHBondContact O-CD 3.45Å; D61-K65 VanDerWaalsContact O-CG 3.28Å; D61-K65 WeakPolarHBondContact O-CG 3.46Å; D61-K65 PolarHBondContact O-N 3.32Å; D61-K65 VanDerWaalsContact O-N 3.12Å; T62-K65 PolarHBondContact O-N 2.76Å; Y63-K65 VanDerWaalsContact C-N 3.28Å; Y63-K65 PolarHBondContact O-N 3.09Å
66N95.2Very high96.6Very high35 Ų3548.3 Ų48.319%0.18724%0.243CC..Hα-helixtrans-112.5-17-172.1-71.9-81.1000113.6L21 T62 Y63 S64 D68 F69 F70L21-N66 HydrophobicContact CD1-CB 4.21Å; L21-N66 HydrophobicContact CD2-CB 3.95Å; T62-N66 PolarHBondContact O-N 3.35Å; T62-N66 PolarHBondContact O-ND2 3.48Å; Y63-N66 CarbonylContact O-C 3.44Å; Y63-N66 PolarHBondContact O-N 3.05Å; S64-N66 VanDerWaalsContact C-N 3.28Å; S64-N66 PolarHBondContact O-N 3.06Å; N66-D68 PolarHBondContact O-N 3.37Å; N66-F69 PolarHBondContact O-N 2.99Å; N66-F70 HydrophobicContact CB-CD2 3.96Å; N66-F70 HydrophobicContact CB-CE2 3.94Å; N66-F70 VanDerWaalsContact O-CD2 3.3Å; N66-F70 WeakPolarHBondContact O-CD2 3.4Å
67R94Very high96.7Very high55 Ų5546.4 Ų46.421%0.20824%0.235CC..G310 helixtrans-50.4-33.8-169.166-178.4-77.8152-0.8115.1Y63 F69 D89Y63-R67 HydrophobicContact CD1-CB 4.34Å; Y63-R67 HydrophobicContact CE1-CB 3.84Å; Y63-R67 HydrophobicContact CE2-CB 4.29Å; Y63-R67 WeakPolarHBondContact O-CB 3.45Å; Y63-R67 PolarHBondContact O-N 3.23Å; R67-F69 PolarHBondContact O-N 3.28Å; R67-D89 PolarHBondContact NH1-O 2.79Å; R67-D89 PolarHBondContact NH2-O 2.92Å
68D94.3Very high96.8Very high120 Ų12045 Ų4564%0.64222%0.22SC*.G310 helixtrans-74.3-14.8-177.7-61.2-30.2000113.2N66N66-D68 PolarHBondContact O-N 3.37Å
69F94.7Very high96.8Very high136 Ų13643.5 Ų43.560%0.59621%0.213SC*.G310 helixtrans-103.3-9.7-176.3-55.1-72.5000113.9N66 R67N66-F69 PolarHBondContact O-N 2.99Å; R67-F69 PolarHBondContact O-N 3.28Å
70F96.1Very high96.7Very high7 Ų743.6 Ų43.63%0.03121%0.213CC..  trans-139.4123.4-172.5-55.4-91.9000111.4R19 V20 L21 T49 N66R19-F70 HydrophobicContact CB-CD1 4.49Å; R19-F70 HydrophobicContact CG-CD1 4.02Å; R19-F70 HydrophobicContact CG-CE1 3.66Å; V20-F70 VanDerWaalsContact C-CD1 3.45Å; L21-F70 HydrophobicContact CB-CB 3.96Å; L21-F70 HydrophobicContact CB-CD1 3.85Å; L21-F70 HydrophobicContact CB-CD2 3.97Å; L21-F70 HydrophobicContact CB-CE1 4.29Å; L21-F70 HydrophobicContact CB-CE2 4.46Å; L21-F70 HydrophobicContact CB-CG 3.68Å; L21-F70 HydrophobicContact CD1-CD2 4.46Å; L21-F70 HydrophobicContact CD1-CE2 4.29Å; L21-F70 VanDerWaalsContact N-CD1 3.29Å; T49-F70 VanDerWaalsContact CB-CZ 3.48Å; T49-F70 HydrophobicContact CG2-CZ 4.2Å; T49-F70 WeakPolarHBondContact OG1-CZ 3.11Å; N66-F70 HydrophobicContact CB-CD2 3.96Å; N66-F70 HydrophobicContact CB-CE2 3.94Å; N66-F70 VanDerWaalsContact O-CD2 3.3Å; N66-F70 WeakPolarHBondContact O-CD2 3.4Å
71Q95.7Very high96.5Very high115 Ų11539.7 Ų39.754%0.53720%0.197SC..SBendtrans-90.5-14.2169-66.9175-9.500112.2C94 I95Q71-C94 CarbonylContact O-C 3.55Å; Q71-C94 VanDerWaalsContact O-CA 3.31Å; Q71-C94 WeakPolarHBondContact O-CA 3.5Å; Q71-I95 PolarHBondContact O-N 3.38Å
72V97.8Very high96.3Very high13 Ų1336.2 Ų36.28%0.07918%0.178CC..EExtended strand (participates in β ladder)trans-124121.9-178.9-177.20000109.4V15 N18 V20 L21 I95 Y97V15-V72 HydrophobicContact CG2-CG1 4.11Å; N18-V72 HydrophobicContact CB-CG2 4.13Å; V20-V72 WeakPolarHBondContact CA-O 3.19Å; V20-V72 HydrophobicContact CG1-CG1 4.4Å; V20-V72 HydrophobicContact CG2-CG1 4.47Å; L21-V72 PolarHBondContact N-O 3.33Å; V72-I95 WeakPolarHBondContact CA-O 3.48Å; V72-Y97 HydrophobicContact CG1-CD2 3.86Å; V72-Y97 HydrophobicContact CG1-CE2 3.75Å
73A98Very high96.4Very high1 Ų137.3 Ų37.31%0.00818%0.183CC..EExtended strand (participates in β ladder)trans-119.8139.5174.600000110.7L21 F75 I95 F96 Y97L21-A73 HydrophobicContact CB-CB 4.35Å; L21-A73 CarbonylContact O-C 3.46Å; L21-A73 VanDerWaalsContact O-CA 3.24Å; L21-A73 WeakPolarHBondContact O-CA 3.24Å; A73-F75 HydrophobicContact CB-CD1 4.45Å; A73-F75 HydrophobicContact CB-CE1 3.93Å; A73-I95 PolarHBondContact N-O 3.25Å; A73-F96 HydrophobicContact CB-CD1 3.72Å; A73-F96 HydrophobicContact CB-CE1 3.97Å; A73-F96 CarbonylContact O-C 3.51Å; A73-F96 WeakPolarHBondContact O-CA 3.45Å; A73-Y97 PolarHBondContact O-N 3.05Å
74V98.6Very high96.4Very high0 Ų037.1 Ų37.10%018%0.183CC..EExtended strand (participates in β ladder)trans-117.8119.3174.1-178.80000107.9F11 V20 L21 V22 C23 L37 I76 Y97F11-V74 HydrophobicContact CE2-CG1 4.43Å; F11-V74 HydrophobicContact CE2-CG2 3.8Å; F11-V74 HydrophobicContact CZ-CG1 4.36Å; F11-V74 HydrophobicContact CZ-CG2 4.33Å; V20-V74 HydrophobicContact CG1-CB 4.24Å; V20-V74 HydrophobicContact CG1-CG2 3.53Å; L21-V74 PolarHBondContact O-N 3.33Å; V22-V74 CarbonylContact C-O 3.59Å; V22-V74 WeakPolarHBondContact CA-O 3.34Å; V22-V74 HydrophobicContact CG2-CB 4.46Å; C23-V74 PolarHBondContact N-O 2.96Å; L37-V74 HydrophobicContact CD2-CG1 4.05Å; V74-I76 HydrophobicContact CG1-CG1 4.26Å; V74-Y97 CarbonylContact C-O 3.58Å; V74-Y97 WeakPolarHBondContact CA-O 3.5Å; V74-Y97 HydrophobicContact CG2-CD2 4.42Å
75F98.7Very high96.4Very high0 Ų035.2 Ų35.20%017%0.168CC..EExtended strand (participates in β ladder)trans-103.6128.5176.7-64.5-8.6000109.6C23 L59 A73 C78 V84 L88 F96 Y97 V98 C99C23-F75 HydrophobicContact CB-CD1 3.68Å; C23-F75 HydrophobicContact CB-CE1 3.99Å; C23-F75 WeakPolarHBondContact O-CA 3.32Å; L59-F75 HydrophobicContact CD1-CD1 4.35Å; L59-F75 HydrophobicContact CD1-CE1 3.92Å; L59-F75 HydrophobicContact CD1-CE2 4.27Å; L59-F75 HydrophobicContact CD1-CZ 3.86Å; L59-F75 HydrophobicContact CD2-CD2 4.39Å; L59-F75 HydrophobicContact CD2-CE2 4.17Å; A73-F75 HydrophobicContact CB-CD1 4.45Å; A73-F75 HydrophobicContact CB-CE1 3.93Å; F75-C78 WeakPolarHBondContact CB-O 3.34Å; F75-V84 HydrophobicContact CE2-CG1 3.93Å; F75-V84 HydrophobicContact CE2-CG2 4.49Å; F75-L88 HydrophobicContact CE2-CD1 3.8Å; F75-L88 HydrophobicContact CZ-CD1 3.64Å; F75-F96 HydrophobicContact CD2-CD1 4.42Å; F75-F96 HydrophobicContact CE1-CD1 4.03Å; F75-F96 HydrophobicContact CE1-CE1 4.28Å; F75-F96 AromaticContact CE2-CD1 3.69Å; F75-F96 HydrophobicContact CE2-CD1 3.69Å; F75-F96 HydrophobicContact CE2-CE1 4.09Å; F75-F96 AromaticContact CZ-CD1 3.47Å; F75-F96 HydrophobicContact CZ-CD1 3.47Å; F75-F96 VanDerWaalsContact CZ-CD1 3.47Å; F75-F96 AromaticContact CZ-CE1 3.57Å; F75-F96 HydrophobicContact CZ-CE1 3.57Å; F75-Y97 PolarHBondContact N-O 3.19Å; F75-V98 HydrophobicContact CB-CG2 4.49Å; F75-V98 HydrophobicContact CD2-CG2 4.37Å; F75-C99 PolarHBondContact O-N 3.07Å
76I98.8Very high96.4Very high0 Ų030.7 Ų30.70%016%0.164CC..EExtended strand (participates in β ladder)trans-118.1121.2-177.9-67.6177.7000108.6V22 C23 V24 Y25 T33 W34 L37 V74 C78 C99V22-I76 HydrophobicContact CG1-CD1 4.02Å; C23-I76 PolarHBondContact O-N 3.4Å; V24-I76 HydrophobicContact CB-CB 4.42Å; V24-I76 HydrophobicContact CG1-CB 4.22Å; V24-I76 HydrophobicContact CG1-CG2 3.95Å; V24-I76 HydrophobicContact CG2-CB 4.12Å; V24-I76 HydrophobicContact CG2-CD1 4.04Å; V24-I76 HydrophobicContact CG2-CG1 4.49Å; Y25-I76 PolarHBondContact N-O 3.3Å; T33-I76 HydrophobicContact CG2-CB 4.48Å; T33-I76 HydrophobicContact CG2-CD1 3.99Å; T33-I76 HydrophobicContact CG2-CG1 4.11Å; T33-I76 HydrophobicContact CG2-CG2 3.63Å; W34-I76 HydrophobicContact CB-CD1 4.42Å; W34-I76 HydrophobicContact CE3-CD1 4.44Å; L37-I76 HydrophobicContact CD2-CD1 3.95Å; V74-I76 HydrophobicContact CG1-CG1 4.26Å; I76-C78 PolarHBondContact O-N 3.33Å; I76-C78 VanDerWaalsContact O-N 3.08Å; I76-C78 PolarHBondContact O-SG 2.95Å; I76-C99 CarbonylContact C-O 3.54Å; I76-C99 VanDerWaalsContact CA-O 3.31Å; I76-C99 WeakPolarHBondContact CA-O 3.16Å
77N98.4Very high96.5Very high0 Ų032.6 Ų32.60%017%0.174CC..SBendtrans50.728.3-174.2-78.45.7000114Y25 D27 D29 G30 C99 S190Y25-N77 WeakPolarHBondContact CB-O 3.26Å; Y25-N77 HydrophobicContact CD1-CB 4.38Å; D27-N77 PolarHBondContact OD1-ND2 3.12Å; D27-N77 PolarHBondContact OD2-ND2 2.85Å; D29-N77 WeakPolarHBondContact CB-ND2 3.46Å; D29-N77 PolarHBondContact OD2-ND2 2.75Å; D29-N77 PolarHBondContact OD2-OD1 2.79Å; G30-N77 PolarHBondContact N-ND2 3.36Å; G30-N77 VanDerWaalsContact N-ND2 3.16Å; N77-C99 PolarHBondContact N-O 3.14Å; N77-S190 VanDerWaalsContact OD1-CB 3.22Å; N77-S190 WeakPolarHBondContact OD1-CB 3.41Å; N77-S190 PolarHBondContact OD1-OG 3.41Å
78C97.6Very high96.6Very high0 Ų030.5 Ų30.50%017%0.167CC..  trans-148.4154.3170.352.60000109.7L59 F75 I76 D100 F542L59-C78 HydrophobicContact CD2-CB 4.27Å; F75-C78 WeakPolarHBondContact CB-O 3.34Å; I76-C78 PolarHBondContact O-N 3.33Å; I76-C78 VanDerWaalsContact O-N 3.08Å; I76-C78 PolarHBondContact O-SG 2.95Å; C78-D100 VanDerWaalsContact CA-OD2 3.24Å; C78-D100 WeakPolarHBondContact CA-OD2 3.49Å; C78-D100 PolarHBondContact N-OD2 3.27Å; C78-F542 HydrophobicContact CB-CD1 3.97Å; C78-F542 HydrophobicContact CB-CD2 4.06Å; C78-F542 HydrophobicContact CB-CE1 3.55Å; C78-F542 HydrophobicContact CB-CE2 3.64Å; C78-F542 HydrophobicContact CB-CG 4.23Å; C78-F542 HydrophobicContact CB-CZ 3.38Å
79G96.3Very high96.6Very high0 Ų030.5 Ų30.50%017%0.167CC..SBendtrans98.1-9.6172.800000116.3F82 V84 D100 N109G79-F82 VanDerWaalsContact CA-CE1 3.49Å; G79-V84 WeakPolarHBondContact O-CG2 3.31Å; G79-D100 PolarHBondContact N-OD2 3.47Å; G79-N109 PolarHBondContact O-ND2 2.89Å
80A96.4Very high96.7Very high2 Ų224.6 Ų24.62%0.01714%0.142CC..SBendtrans-73.2-45.6179.500000112.8V98 D100 H102 H106 N109A80-V98 HydrophobicContact CB-CG1 4.36Å; A80-D100 HydrophobicContact CB-CB 3.76Å; A80-D100 WeakPolarHBondContact CB-OD2 3.36Å; A80-D100 PolarHBondContact N-OD2 2.71Å; A80-H102 WeakPolarHBondContact CB-O 3.37Å; A80-H106 PolarHBondContact O-N 2.96Å; A80-N109 PolarHBondContact O-ND2 2.84Å; A80-N109 VanDerWaalsContact O-ND2 3.08Å
81N92.9Very high96.6Very high22 Ų2228 Ų2812%0.11816%0.158CC..SBendtrans-104.921-160.769-2.7000115.6H102 F542N81-H102 HydrophobicContact CB-CB 4.42Å; N81-F542 PolarHBondContact ND2-O 3.21Å
82F94.3Very high96.5Very high17 Ų1728.1 Ų28.18%0.07516%0.159CC..SBendtrans-144.9157.716873.3-84.6000109.7K56 L59 G79 V84 N87 N109 F542K56-F82 HydrophobicContact CD-CD1 4.37Å; K56-F82 HydrophobicContact CD-CG 4.45Å; K56-F82 HydrophobicContact CG-CD1 4.28Å; K56-F82 HydrophobicContact CG-CE1 4.44Å; L59-F82 HydrophobicContact CD2-CE1 4.03Å; L59-F82 HydrophobicContact CD2-CZ 3.65Å; G79-F82 VanDerWaalsContact CA-CE1 3.49Å; F82-V84 HydrophobicContact CE2-CG2 4.23Å; F82-V84 HydrophobicContact CZ-CG2 4.1Å; F82-V84 PolarHBondContact O-N 3.34Å; F82-N87 HydrophobicContact CD2-CB 4.12Å; F82-N87 HydrophobicContact CE2-CB 4.04Å; F82-N109 PolarHBondContact O-ND2 3.21Å; F82-N109 PolarHBondContact O-OD1 3.12Å; F82-F542 HydrophobicContact CD1-CD1 4.44Å; F82-F542 HydrophobicContact CD1-CE1 4.38Å; F82-F542 HydrophobicContact CE1-CD1 4.21Å; F82-F542 AromaticContact CE1-CE1 3.77Å; F82-F542 HydrophobicContact CE1-CE1 3.77Å
83D96.6Very high96.3Very high33 Ų3333.1 Ų33.118%0.17618%0.181CC..  trans-64.3100.8179.5-169.9-11.4000112.2V85 G86 N87 N108D83-V85 PolarHBondContact OD1-N 3.32Å; D83-G86 PolarHBondContact OD1-N 3.16Å; D83-N87 VanDerWaalsContact O-CB 3.25Å; D83-N87 WeakPolarHBondContact O-CB 3.33Å; D83-N87 PolarHBondContact O-N 2.89Å; D83-N87 PolarHBondContact O-ND2 2.95Å; D83-N108 PolarHBondContact OD2-ND2 3.45Å
84V97.6Very high96.2Very high0 Ų033.2 Ų33.20%018%0.182CC..Hα-helixtrans-65-48.7-176.6170.70000110.7F75 G79 F82 N87 L88 F96 N109 I116F75-V84 HydrophobicContact CE2-CG1 3.93Å; F75-V84 HydrophobicContact CE2-CG2 4.49Å; G79-V84 WeakPolarHBondContact O-CG2 3.31Å; F82-V84 HydrophobicContact CE2-CG2 4.23Å; F82-V84 HydrophobicContact CZ-CG2 4.1Å; F82-V84 PolarHBondContact O-N 3.34Å; V84-N87 PolarHBondContact O-N 2.7Å; V84-L88 HydrophobicContact CG1-CD1 3.85Å; V84-L88 HydrophobicContact CG1-CG 4.43Å; V84-L88 VanDerWaalsContact O-CB 3.23Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 VanDerWaalsContact O-CG 3.27Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.86Å; V84-F96 HydrophobicContact CG1-CD1 4.06Å; V84-F96 HydrophobicContact CG1-CD2 4.22Å; V84-F96 HydrophobicContact CG1-CE1 4.29Å; V84-F96 HydrophobicContact CG1-CE2 4.45Å; V84-F96 HydrophobicContact CG1-CG 4.01Å; V84-F96 HydrophobicContact CG1-CZ 4.46Å; V84-N109 PolarHBondContact N-OD1 2.91Å; V84-I116 HydrophobicContact CB-CD1 3.85Å; V84-I116 HydrophobicContact CG1-CD1 3.75Å
85V97.1Very high96.2Very high33 Ų3335.1 Ų35.120%0.219%0.192CC..Hα-helixtrans-68.7-44.8-177.6176.20000110.5D83 N87 D89 P90 N112 Q115 I116D83-V85 PolarHBondContact OD1-N 3.32Å; V85-N87 VanDerWaalsContact C-N 3.29Å; V85-N87 PolarHBondContact O-N 2.85Å; V85-D89 PolarHBondContact O-N 2.86Å; V85-P90 HydrophobicContact CB-CG 4.44Å; V85-P90 HydrophobicContact CG1-CG 4.06Å; V85-P90 HydrophobicContact CG2-CG 4.29Å; V85-P90 WeakPolarHBondContact O-CD 3.2Å; V85-N112 VanDerWaalsContact CG2-ND2 3.32Å; V85-N112 WeakPolarHBondContact CG2-ND2 3.47Å; V85-Q115 HydrophobicContact CG2-CB 4.29Å; V85-I116 HydrophobicContact CG2-CD1 3.87Å; V85-I116 HydrophobicContact CG2-CG1 4.07Å
86G95.9Very high96.2Very high55 Ų5535.1 Ų35.157%0.56719%0.192SC*.Hα-helixtrans-63.4-3117900000113.9D83D83-G86 PolarHBondContact OD1-N 3.16Å
87N96.2Very high96.2Very high75 Ų7535.6 Ų35.640%0.40119%0.194SC..Hα-helixtrans-91.3-30.6-178.7-77.6-85.3000114.3K60 F82 D83 V84 V85K60-N87 VanDerWaalsContact CE-O 3.27Å; K60-N87 WeakPolarHBondContact CE-O 3.37Å; F82-N87 HydrophobicContact CD2-CB 4.12Å; F82-N87 HydrophobicContact CE2-CB 4.04Å; D83-N87 VanDerWaalsContact O-CB 3.25Å; D83-N87 WeakPolarHBondContact O-CB 3.33Å; D83-N87 PolarHBondContact O-N 2.89Å; D83-N87 PolarHBondContact O-ND2 2.95Å; V84-N87 PolarHBondContact O-N 2.7Å; V85-N87 VanDerWaalsContact C-N 3.29Å; V85-N87 PolarHBondContact O-N 2.85Å
88L97Very high96.2Very high11 Ų1135.8 Ų35.86%0.05820%0.195CC..Hα-helixtrans-96.5-16.7-176-59.7-170.5000113.8K60 Y63 F75 V84 F96K60-L88 HydrophobicContact CB-CD2 3.99Å; K60-L88 HydrophobicContact CG-CD2 4.16Å; Y63-L88 HydrophobicContact CD1-CB 3.73Å; Y63-L88 HydrophobicContact CD1-CD1 4.06Å; Y63-L88 HydrophobicContact CD1-CD2 4.33Å; Y63-L88 HydrophobicContact CD1-CG 4.27Å; Y63-L88 HydrophobicContact CD2-CD1 4.41Å; Y63-L88 HydrophobicContact CE1-CB 3.95Å; Y63-L88 HydrophobicContact CG-CB 4.46Å; Y63-L88 HydrophobicContact CG-CD1 3.95Å; F75-L88 HydrophobicContact CE2-CD1 3.8Å; F75-L88 HydrophobicContact CZ-CD1 3.64Å; V84-L88 HydrophobicContact CG1-CD1 3.85Å; V84-L88 HydrophobicContact CG1-CG 4.43Å; V84-L88 VanDerWaalsContact O-CB 3.23Å; V84-L88 WeakPolarHBondContact O-CB 3.32Å; V84-L88 VanDerWaalsContact O-CG 3.27Å; V84-L88 WeakPolarHBondContact O-CG 3.44Å; V84-L88 PolarHBondContact O-N 2.86Å; L88-F96 HydrophobicContact CD1-CE1 3.84Å; L88-F96 HydrophobicContact CD1-CZ 4.17Å
89D94.9Very high96.2Very high120 Ų12035.8 Ų35.864%0.64220%0.195SC*.  trans46.653.5-178.1-174.737.5000113.1R67 V85R67-D89 PolarHBondContact NH1-O 2.79Å; R67-D89 PolarHBondContact NH2-O 2.92Å; V85-D89 PolarHBondContact O-N 2.86Å
90P96.5Very high96.3Very high13 Ų1336 Ų368%0.08420%0.196CC..  trans-69.3159.2-171.432.3-38.9000113.3Y63 V85 C94 F96Y63-P90 HydrophobicContact CE1-CB 4.2Å; Y63-P90 WeakPolarHBondContact OH-CB 3.32Å; V85-P90 HydrophobicContact CB-CG 4.44Å; V85-P90 HydrophobicContact CG1-CG 4.06Å; V85-P90 HydrophobicContact CG2-CG 4.29Å; V85-P90 WeakPolarHBondContact O-CD 3.2Å; P90-C94 HydrophobicContact CB-CB 4.03Å; P90-F96 HydrophobicContact CB-CE2 3.57Å; P90-F96 HydrophobicContact CB-CZ 3.68Å; P90-F96 HydrophobicContact CG-CE2 3.72Å; P90-F96 HydrophobicContact CG-CZ 4.17Å
91Q94.2Very high96.4Very high77 Ų7736.1 Ų36.136%0.3620%0.197SC..  trans-61.1151.9166.2-69.1-179.7-19.300110.5E93 C94 Q115Q91-E93 PolarHBondContact O-N 3.46Å; Q91-C94 VanDerWaalsContact O-CB 3.26Å; Q91-C94 WeakPolarHBondContact O-CB 3.03Å; Q91-C94 PolarHBondContact O-N 3.28Å; Q91-Q115 PolarHBondContact O-NE2 3.41Å
92E93.2Very high96.6Very high119 Ų11935.5 Ų35.556%0.55619%0.193SC*.THydrogen-bonded Turntrans-61.1-29.3-173.3-69-152.9134.900114.4C94 R114E92-C94 VanDerWaalsContact C-N 3.34Å; E92-R114 IonicContact OE1-CZ 2.68Å; E92-R114 IonicContact OE1-NH1 2.87Å; E92-R114 PolarHBondContact OE1-NH1 3.15Å; E92-R114 IonicContact OE1-NH2 3.28Å; E92-R114 PolarHBondContact OE1-NH2 2.97Å; E92-R114 IonicContact OE2-CZ 3.75Å; E92-R114 IonicContact OE2-NH1 3.83Å; E92-R114 IonicContact OE2-NH2 2.76Å; E92-R114 PolarHBondContact OE2-NH2 3.1Å
93E93.8Very high96.7Very high117 Ų11735 Ų3555%0.54719%0.19SC..THydrogen-bonded Turntrans-84-10.1179.6-50.484.8178.200113.1Q91 I95Q91-E93 PolarHBondContact O-N 3.46Å; E93-I95 PolarHBondContact O-N 2.79Å
94C96.3Very high96.7Very high3 Ų334.2 Ų34.22%0.0219%0.187CC..  trans-71.2129-176.2-173.20000111.1Y63 Q71 P90 Q91 E92 F96 Q115Y63-C94 PolarHBondContact OH-SG 3.29Å; Q71-C94 CarbonylContact O-C 3.55Å; Q71-C94 VanDerWaalsContact O-CA 3.31Å; Q71-C94 WeakPolarHBondContact O-CA 3.5Å; P90-C94 HydrophobicContact CB-CB 4.03Å; Q91-C94 VanDerWaalsContact O-CB 3.26Å; Q91-C94 WeakPolarHBondContact O-CB 3.03Å; Q91-C94 PolarHBondContact O-N 3.28Å; E92-C94 VanDerWaalsContact C-N 3.34Å; C94-F96 HydrophobicContact CB-CE2 4.26Å; C94-F96 VanDerWaalsContact SG-CE2 3.57Å; C94-F96 VanDerWaalsContact SG-CZ 3.52Å; C94-Q115 WeakPolarHBondContact O-CB 3.43Å; C94-Q115 WeakPolarHBondContact O-CG 2.9Å; C94-Q115 PolarHBondContact O-NE2 2.9Å; C94-Q115 VanDerWaalsContact O-NE2 3.15Å
95I97.4Very high96.6Very high40 Ų4034.3 Ų34.321%0.20519%0.188CC..EExtended strand (participates in β ladder)trans-111.3131.4176-55-58.1000109.9Q71 V72 A73 E93 Y97 R114 Q115 K117Q71-I95 PolarHBondContact O-N 3.38Å; V72-I95 WeakPolarHBondContact CA-O 3.48Å; A73-I95 PolarHBondContact N-O 3.25Å; E93-I95 PolarHBondContact O-N 2.79Å; I95-Y97 HydrophobicContact CG2-CD2 4.24Å; I95-Y97 HydrophobicContact CG2-CE2 3.76Å; I95-R114 WeakPolarHBondContact CD1-O 3.39Å; I95-Q115 CarbonylContact C-O 3.45Å; I95-Q115 WeakPolarHBondContact CA-O 3.39Å; I95-K117 HydrophobicContact CG2-CG 3.88Å
96F98.2Very high96.6Very high0 Ų034.7 Ų34.70%019%0.188CC..EExtended strand (participates in β ladder)trans-111.1119.4175.3-60.2-90.1000110.1Y63 A73 F75 V84 L88 P90 C94 Q115 I116 K117Y63-F96 AromaticContact CD2-CE1 3.92Å; Y63-F96 HydrophobicContact CD2-CE1 3.92Å; Y63-F96 HydrophobicContact CD2-CZ 4.3Å; Y63-F96 HydrophobicContact CE1-CZ 4.25Å; Y63-F96 AromaticContact CE2-CE1 3.54Å; Y63-F96 HydrophobicContact CE2-CE1 3.54Å; Y63-F96 AromaticContact CE2-CZ 3.57Å; Y63-F96 HydrophobicContact CE2-CZ 3.57Å; Y63-F96 AromaticContact CZ-CZ 3.55Å; A73-F96 HydrophobicContact CB-CD1 3.72Å; A73-F96 HydrophobicContact CB-CE1 3.97Å; A73-F96 CarbonylContact O-C 3.51Å; A73-F96 WeakPolarHBondContact O-CA 3.45Å; F75-F96 HydrophobicContact CD2-CD1 4.42Å; F75-F96 HydrophobicContact CE1-CD1 4.03Å; F75-F96 HydrophobicContact CE1-CE1 4.28Å; F75-F96 AromaticContact CE2-CD1 3.69Å; F75-F96 HydrophobicContact CE2-CD1 3.69Å; F75-F96 HydrophobicContact CE2-CE1 4.09Å; F75-F96 AromaticContact CZ-CD1 3.47Å; F75-F96 HydrophobicContact CZ-CD1 3.47Å; F75-F96 VanDerWaalsContact CZ-CD1 3.47Å; F75-F96 AromaticContact CZ-CE1 3.57Å; F75-F96 HydrophobicContact CZ-CE1 3.57Å; V84-F96 HydrophobicContact CG1-CD1 4.06Å; V84-F96 HydrophobicContact CG1-CD2 4.22Å; V84-F96 HydrophobicContact CG1-CE1 4.29Å; V84-F96 HydrophobicContact CG1-CE2 4.45Å; V84-F96 HydrophobicContact CG1-CG 4.01Å; V84-F96 HydrophobicContact CG1-CZ 4.46Å; L88-F96 HydrophobicContact CD1-CE1 3.84Å; L88-F96 HydrophobicContact CD1-CZ 4.17Å; P90-F96 HydrophobicContact CB-CE2 3.57Å; P90-F96 HydrophobicContact CB-CZ 3.68Å; P90-F96 HydrophobicContact CG-CE2 3.72Å; P90-F96 HydrophobicContact CG-CZ 4.17Å; C94-F96 HydrophobicContact CB-CE2 4.26Å; C94-F96 VanDerWaalsContact SG-CE2 3.57Å; C94-F96 VanDerWaalsContact SG-CZ 3.52Å; F96-Q115 PolarHBondContact N-O 3.01Å; F96-I116 HydrophobicContact CB-CD1 3.76Å; F96-I116 HydrophobicContact CD2-CD1 3.83Å; F96-I116 HydrophobicContact CG-CD1 4.06Å; F96-K117 PolarHBondContact O-N 2.96Å
97Y98.5Very high96.6Very high10 Ų1032.3 Ų32.34%0.03916%0.162CC..EExtended strand (participates in β ladder)trans-94.2118.9166.7-66.4-81.6000109.1L4 E10 F11 E14 V15 V72 A73 V74 F75 I95 K117 L119L4-Y97 HydrophobicContact CD1-CD1 4.2Å; L4-Y97 HydrophobicContact CD1-CE1 4.02Å; E10-Y97 VanDerWaalsContact O-CE1 3.32Å; E10-Y97 WeakPolarHBondContact O-CE1 3.47Å; E10-Y97 PolarHBondContact O-OH 3.4Å; E10-Y97 VanDerWaalsContact O-OH 3.1Å; F11-Y97 HydrophobicContact CB-CD1 3.92Å; F11-Y97 HydrophobicContact CB-CE1 3.78Å; F11-Y97 AromaticContact CD2-CD1 3.33Å; F11-Y97 HydrophobicContact CD2-CD1 3.33Å; F11-Y97 AromaticContact CD2-CD2 3.89Å; F11-Y97 HydrophobicContact CD2-CD2 3.89Å; F11-Y97 AromaticContact CD2-CE1 3.71Å; F11-Y97 HydrophobicContact CD2-CE1 3.71Å; F11-Y97 HydrophobicContact CD2-CE2 4.21Å; F11-Y97 AromaticContact CD2-CG 3.42Å; F11-Y97 HydrophobicContact CD2-CG 3.42Å; F11-Y97 VanDerWaalsContact CD2-CG 3.42Å; F11-Y97 HydrophobicContact CE2-CD1 4.17Å; F11-Y97 HydrophobicContact CE2-CD2 4.16Å; F11-Y97 AromaticContact CE2-CG 3.81Å; F11-Y97 HydrophobicContact CE2-CG 3.81Å; F11-Y97 AromaticContact CG-CD1 3.99Å; F11-Y97 HydrophobicContact CG-CD1 3.99Å; F11-Y97 HydrophobicContact CG-CE1 4.23Å; F11-Y97 HydrophobicContact CG-CG 4.46Å; E14-Y97 WeakPolarHBondContact CB-OH 3.49Å; V15-Y97 HydrophobicContact CG2-CD2 4.25Å; V15-Y97 HydrophobicContact CG2-CE2 4.07Å; V72-Y97 HydrophobicContact CG1-CD2 3.86Å; V72-Y97 HydrophobicContact CG1-CE2 3.75Å; A73-Y97 PolarHBondContact O-N 3.05Å; V74-Y97 CarbonylContact C-O 3.58Å; V74-Y97 WeakPolarHBondContact CA-O 3.5Å; V74-Y97 HydrophobicContact CG2-CD2 4.42Å; F75-Y97 PolarHBondContact N-O 3.19Å; I95-Y97 HydrophobicContact CG2-CD2 4.24Å; I95-Y97 HydrophobicContact CG2-CE2 3.76Å; Y97-K117 CarbonylContact C-O 3.57Å; Y97-K117 WeakPolarHBondContact CA-O 3.45Å; Y97-K117 HydrophobicContact CD1-CB 3.52Å; Y97-K117 HydrophobicContact CD1-CG 4.12Å; Y97-K117 HydrophobicContact CE1-CB 3.68Å; Y97-K117 HydrophobicContact CE1-CG 3.8Å; Y97-K117 HydrophobicContact CG-CB 4.37Å; Y97-L119 HydrophobicContact CD1-CD2 4.26Å
98V98.5Very high96.6Very high4 Ų431.1 Ų31.12%0.02416%0.155CC..EExtended strand (participates in β ladder)trans-111.4112-176.4179.30000108.9F75 A80 D100 I116 K117 L118 L119F75-V98 HydrophobicContact CB-CG2 4.49Å; F75-V98 HydrophobicContact CD2-CG2 4.37Å; A80-V98 HydrophobicContact CB-CG1 4.36Å; V98-D100 HydrophobicContact CG1-CB 3.88Å; V98-I116 HydrophobicContact CG2-CG2 4.39Å; V98-K117 PolarHBondContact N-O 3.25Å; V98-L118 HydrophobicContact CB-CD2 4.14Å; V98-L118 HydrophobicContact CG1-CD2 4.44Å; V98-L119 PolarHBondContact O-N 3.24Å
99C98.6Very high96.6Very high0 Ų030.6 Ų30.60%015%0.152CC..EExtended strand (participates in β ladder)trans-111.994.1170.7-169.40000108F75 I76 N77 L119 S190 M194F75-C99 PolarHBondContact O-N 3.07Å; I76-C99 CarbonylContact C-O 3.54Å; I76-C99 VanDerWaalsContact CA-O 3.31Å; I76-C99 WeakPolarHBondContact CA-O 3.16Å; N77-C99 PolarHBondContact N-O 3.14Å; C99-L119 HydrophobicContact CB-CB 3.94Å; C99-L119 HydrophobicContact CB-CD1 4.04Å; C99-L119 HydrophobicContact CB-CG 4.49Å; C99-S190 PolarHBondContact O-OG 2.95Å; C99-M194 HydrophobicContact CB-CE 3.56Å; C99-M194 WeakPolarHBondContact SG-CE 3.42Å
100D98.5Very high96.6Very high6 Ų625.1 Ų25.13%0.03212%0.123CC..  trans-147.4130.2-170.8-178.33.7000108.9C78 G79 A80 V98 H102 R103 S190C78-D100 VanDerWaalsContact CA-OD2 3.24Å; C78-D100 WeakPolarHBondContact CA-OD2 3.49Å; C78-D100 PolarHBondContact N-OD2 3.27Å; G79-D100 PolarHBondContact N-OD2 3.47Å; A80-D100 HydrophobicContact CB-CB 3.76Å; A80-D100 WeakPolarHBondContact CB-OD2 3.36Å; A80-D100 PolarHBondContact N-OD2 2.71Å; V98-D100 HydrophobicContact CG1-CB 3.88Å; D100-H102 IonicContact OD1-CE1 3.12Å; D100-H102 IonicContact OD1-CG 2.7Å; D100-H102 PolarHBondContact OD1-N 2.77Å; D100-H102 VanDerWaalsContact OD1-N 3.11Å; D100-H102 IonicContact OD1-ND1 3.68Å; D100-H102 PolarHBondContact OD1-ND1 3.13Å; D100-H102 IonicContact OD2-ND1 3.61Å; D100-R103 PolarHBondContact O-NH1 3.08Å; D100-S190 WeakPolarHBondContact CA-OG 3.31Å
101S97.3Very high96.6Very high4 Ų426.3 Ų26.33%0.02813%0.126CC..  trans-83.4-12.5-176.962.20000113.4R103 H186 S187 V188 Q219S101-R103 PolarHBondContact O-N 2.97Å; S101-R103 PolarHBondContact O-NH1 3Å; S101-H186 CarbonylContact O-C 3.57Å; S101-H186 VanDerWaalsContact O-CA 3.3Å; S101-H186 WeakPolarHBondContact O-CA 3.36Å; S101-S187 WeakPolarHBondContact CA-OG 3.47Å; S101-S187 PolarHBondContact O-N 3.47Å; S101-S187 PolarHBondContact O-OG 3.42Å; S101-V188 WeakPolarHBondContact CB-O 3.4Å; S101-Q219 PolarHBondContact OG-NE2 3.3Å
102H97.4Very high96.7Very high9 Ų924.4 Ų24.44%0.04212%0.118CC..EExtended strand (participates in β ladder)trans-63.2134.7-179.8-6693.5000112.3A80 N81 D100 H186 S543A80-H102 WeakPolarHBondContact CB-O 3.37Å; N81-H102 HydrophobicContact CB-CB 4.42Å; D100-H102 IonicContact OD1-CE1 3.12Å; D100-H102 IonicContact OD1-CG 2.7Å; D100-H102 PolarHBondContact OD1-N 2.77Å; D100-H102 VanDerWaalsContact OD1-N 3.11Å; D100-H102 IonicContact OD1-ND1 3.68Å; D100-H102 PolarHBondContact OD1-ND1 3.13Å; D100-H102 IonicContact OD2-ND1 3.61Å; H102-H186 AromaticContact CD2-NE2 3.45Å; H102-H186 PolarHBondContact CD2-NE2 2.74Å; H102-H186 AromaticContact NE2-NE2 3.77Å; H102-S543 PolarHBondContact NE2-OG 3.27Å
103R96.4Very high96.6Very high5 Ų524.6 Ų24.62%0.01912%0.119CC..EExtended strand (participates in β ladder)trans-129.9153176.6-64.4-63.7176.1-81.5-4.5111.8D100 S101 E123 S184 Y185 S187D100-R103 PolarHBondContact O-NH1 3.08Å; S101-R103 PolarHBondContact O-N 2.97Å; S101-R103 PolarHBondContact O-NH1 3Å; R103-E123 IonicContact CZ-OE1 3.11Å; R103-E123 IonicContact CZ-OE2 3.7Å; R103-E123 IonicContact NE-OE1 3.84Å; R103-E123 PolarHBondContact NE-OE1 3.41Å; R103-E123 IonicContact NE-OE2 2.91Å; R103-E123 PolarHBondContact NE-OE2 3.43Å; R103-E123 IonicContact NH2-OE1 3.97Å; R103-E123 IonicContact NH2-OE2 2.92Å; R103-E123 PolarHBondContact NH2-OE2 3.33Å; R103-S184 VanDerWaalsContact O-CA 3.3Å; R103-S184 WeakPolarHBondContact O-CA 3.47Å; R103-Y185 WeakPolarHBondContact CA-O 3.32Å; R103-Y185 HydrophobicContact CB-CD1 3.81Å; R103-Y185 HydrophobicContact CB-CD2 3.72Å; R103-Y185 HydrophobicContact CB-CE1 3.56Å; R103-Y185 HydrophobicContact CB-CE2 3.47Å; R103-Y185 VanDerWaalsContact CB-CE2 3.47Å; R103-Y185 HydrophobicContact CB-CG 3.88Å; R103-Y185 HydrophobicContact CG-CD2 4.12Å; R103-Y185 HydrophobicContact CG-CE2 3.68Å; R103-Y185 PolarHBondContact N-O 2.81Å; R103-Y185 PolarHBondContact O-N 3Å; R103-S187 PolarHBondContact NH2-OG 3.11Å
104P96.1Very high96.7Very high17 Ų1725.5 Ų25.511%0.1112%0.118CC..SBendcis-70159-2.129.1-37000113.2Y180 E181 F183P104-Y180 HydrophobicContact CB-CD1 4.21Å; P104-Y180 HydrophobicContact CB-CD2 4.44Å; P104-Y180 HydrophobicContact CB-CE1 3.62Å; P104-Y180 HydrophobicContact CB-CE2 3.88Å; P104-Y180 VanDerWaalsContact CB-CZ 3.42Å; P104-Y180 HydrophobicContact CG-CE1 4.35Å; P104-E181 HydrophobicContact CG-CG 4.35Å; P104-F183 WeakPolarHBondContact CD-O 3.48Å
105I96.7Very high96.7Very high2 Ų226 Ų261%0.0112%0.12CC..PPolyproline II helixtrans-73.3129.3169.6-58.6-179.9000107.1I107 N109 F110 L118 Y180I105-I107 PolarHBondContact O-N 3.06Å; I105-N109 HydrophobicContact CG2-CB 4.1Å; I105-F110 HydrophobicContact CG2-CB 4.21Å; I105-L118 HydrophobicContact CD1-CD1 3.95Å; I105-L118 HydrophobicContact CD1-CD2 4.47Å; I105-L118 HydrophobicContact CG2-CD1 4.02Å; I105-L118 HydrophobicContact CG2-CD2 4.14Å; I105-Y180 PolarHBondContact N-OH 2.74Å; I105-Y180 VanDerWaalsContact O-CE1 3.28Å; I105-Y180 WeakPolarHBondContact O-CE1 3.37Å; I105-Y180 PolarHBondContact O-OH 3.3Å
106H96.3Very high96.7Very high42 Ų4224.1 Ų24.119%0.19411%0.11CC..PPolyproline II helixtrans-55.4133179.8-171.6-86.1000110.8A80 N108 N109 F110A80-H106 PolarHBondContact O-N 2.96Å; H106-N108 PolarHBondContact ND1-N 2.88Å; H106-N108 PolarHBondContact O-N 3.36Å; H106-N108 VanDerWaalsContact O-N 3.1Å; H106-N109 HydrophobicContact CB-CB 4.49Å; H106-N109 WeakPolarHBondContact O-CA 3.35Å; H106-N109 WeakPolarHBondContact O-CB 3.45Å; H106-N109 PolarHBondContact O-N 3.3Å; H106-F110 PolarHBondContact O-N 2.78Å
107I96.1Very high96.7Very high4 Ų426.4 Ų26.42%0.02112%0.12CC..Hα-helixtrans-57.5-36-168.9-16364.9000112.7I105 F110 Y111 V128 V134 F135 L177 Y180I105-I107 PolarHBondContact O-N 3.06Å; I107-F110 PolarHBondContact O-N 3.32Å; I107-Y111 HydrophobicContact CD1-CD2 3.84Å; I107-Y111 HydrophobicContact CD1-CE2 3.6Å; I107-Y111 HydrophobicContact CG1-CD2 4.08Å; I107-Y111 HydrophobicContact CG1-CE2 4.26Å; I107-Y111 WeakPolarHBondContact O-CD2 3.08Å; I107-Y111 PolarHBondContact O-N 2.82Å; I107-V128 HydrophobicContact CD1-CG1 4.17Å; I107-V134 HydrophobicContact CD1-CG2 4.28Å; I107-V134 HydrophobicContact CG1-CB 4.37Å; I107-V134 HydrophobicContact CG1-CG1 4.48Å; I107-V134 HydrophobicContact CG1-CG2 4.02Å; I107-F135 HydrophobicContact CG1-CE2 4.17Å; I107-F135 HydrophobicContact CG1-CZ 4.41Å; I107-L177 HydrophobicContact CB-CD2 4.06Å; I107-L177 HydrophobicContact CG1-CD2 4.03Å; I107-L177 HydrophobicContact CG2-CD2 3.89Å; I107-Y180 HydrophobicContact CD1-CE1 4.45Å
108N96.2Very high96.7Very high50 Ų5026.1 Ų26.127%0.26712%0.119SC..Hα-helixtrans-66.9-37.2176.8-64.4-10.2000112D83 H106 N112 F135D83-N108 PolarHBondContact OD2-ND2 3.45Å; H106-N108 PolarHBondContact ND1-N 2.88Å; H106-N108 PolarHBondContact O-N 3.36Å; H106-N108 VanDerWaalsContact O-N 3.1Å; N108-N112 WeakPolarHBondContact O-CB 3.32Å; N108-N112 PolarHBondContact O-N 3.04Å; N108-F135 WeakPolarHBondContact OD1-CZ 3.43Å
109N97.1Very high96.6Very high0 Ų026.1 Ų26.10%012%0.119CC..Hα-helixtrans-67.7-42.4175.9-64.3-13.8000110.7G79 A80 F82 V84 I105 H106 Y111 N112 I116G79-N109 PolarHBondContact O-ND2 2.89Å; A80-N109 PolarHBondContact O-ND2 2.84Å; A80-N109 VanDerWaalsContact O-ND2 3.08Å; F82-N109 PolarHBondContact O-ND2 3.21Å; F82-N109 PolarHBondContact O-OD1 3.12Å; V84-N109 PolarHBondContact N-OD1 2.91Å; I105-N109 HydrophobicContact CG2-CB 4.1Å; H106-N109 HydrophobicContact CB-CB 4.49Å; H106-N109 WeakPolarHBondContact O-CA 3.35Å; H106-N109 WeakPolarHBondContact O-CB 3.45Å; H106-N109 PolarHBondContact O-N 3.3Å; N109-Y111 VanDerWaalsContact C-N 3.26Å; N109-Y111 PolarHBondContact O-N 3.1Å; N109-N112 PolarHBondContact O-N 3.24Å; N109-I116 HydrophobicContact CB-CG2 4.21Å
110F96.2Very high96.5Very high6 Ų627 Ų273%0.02613%0.125CC..Hα-helixtrans-61.6-33.6-177.9-171.1-89.3000113.4M1 I3 I105 H106 I107 L118 T125 V128M1-F110 HydrophobicContact CB-CE1 4.09Å; M1-F110 HydrophobicContact CB-CZ 4.28Å; M1-F110 HydrophobicContact CG-CE1 3.85Å; M1-F110 HydrophobicContact CG-CE2 4.19Å; M1-F110 HydrophobicContact CG-CZ 3.54Å; M1-F110 HydrophobicContact SD-CE1 4.43Å; M1-F110 HydrophobicContact SD-CZ 3.78Å; I3-F110 HydrophobicContact CD1-CE2 4.12Å; I105-F110 HydrophobicContact CG2-CB 4.21Å; H106-F110 PolarHBondContact O-N 2.78Å; I107-F110 PolarHBondContact O-N 3.32Å; F110-L118 HydrophobicContact CD2-CD1 4.28Å; F110-T125 HydrophobicContact CE2-CG2 4.09Å; F110-T125 HydrophobicContact CZ-CG2 4.05Å; F110-V128 HydrophobicContact CD1-CG1 3.72Å; F110-V128 HydrophobicContact CD2-CG1 4.44Å; F110-V128 HydrophobicContact CD2-CG2 4.44Å; F110-V128 HydrophobicContact CE1-CB 4.38Å; F110-V128 HydrophobicContact CE1-CG1 3.6Å; F110-V128 HydrophobicContact CE2-CG1 4.33Å; F110-V128 HydrophobicContact CE2-CG2 3.98Å; F110-V128 HydrophobicContact CG-CG1 4.14Å; F110-V128 HydrophobicContact CZ-CB 4.25Å; F110-V128 HydrophobicContact CZ-CG1 3.91Å; F110-V128 HydrophobicContact CZ-CG2 4.05Å
111Y96.4Very high96.3Very high38 Ų3827.8 Ų27.815%0.14913%0.129CC..Hα-helixtrans-101.4-9.5-177.9-75.2-68.7000114.9I107 N109 Q113 V128 P129 F131 V134 F135I107-Y111 HydrophobicContact CD1-CD2 3.84Å; I107-Y111 HydrophobicContact CD1-CE2 3.6Å; I107-Y111 HydrophobicContact CG1-CD2 4.08Å; I107-Y111 HydrophobicContact CG1-CE2 4.26Å; I107-Y111 WeakPolarHBondContact O-CD2 3.08Å; I107-Y111 PolarHBondContact O-N 2.82Å; N109-Y111 VanDerWaalsContact C-N 3.26Å; N109-Y111 PolarHBondContact O-N 3.1Å; Y111-Q113 PolarHBondContact O-N 3.22Å; Y111-V128 HydrophobicContact CE2-CG1 4.27Å; Y111-P129 PolarHBondContact OH-O 3.43Å; Y111-F131 HydrophobicContact CD1-CB 4.11Å; Y111-F131 AromaticContact CD1-CD2 3.51Å; Y111-F131 HydrophobicContact CD1-CD2 3.51Å; Y111-F131 HydrophobicContact CD1-CE2 4.42Å; Y111-F131 HydrophobicContact CD1-CG 4.26Å; Y111-F131 HydrophobicContact CE1-CB 3.63Å; Y111-F131 AromaticContact CE1-CD2 3.96Å; Y111-F131 HydrophobicContact CE1-CD2 3.96Å; Y111-F131 HydrophobicContact CE1-CG 4.28Å; Y111-F131 AromaticContact CG-CD2 3.85Å; Y111-F131 HydrophobicContact CG-CD2 3.85Å; Y111-F131 PolarHBondContact OH-N 3.26Å; Y111-F131 VanDerWaalsContact OH-N 3.14Å; Y111-V134 HydrophobicContact CE2-CG2 4.14Å; Y111-F135 HydrophobicContact CD2-CD2 4.15Å; Y111-F135 AromaticContact CD2-CE2 3.47Å; Y111-F135 HydrophobicContact CD2-CE2 3.47Å; Y111-F135 VanDerWaalsContact CD2-CE2 3.47Å; Y111-F135 HydrophobicContact CD2-CZ 4.44Å; Y111-F135 HydrophobicContact CE2-CE2 4.29Å; Y111-F135 HydrophobicContact CG-CD2 4.27Å; Y111-F135 AromaticContact CG-CE2 3.79Å; Y111-F135 HydrophobicContact CG-CE2 3.79Å
112N95.4Very high95.9Very high36 Ų3634.5 Ų34.519%0.19317%0.165CC..  trans-75.886.3177.6-172.6-38.1000112.7V2 V85 N108 N109 R114 Q115 I116V2-N112 WeakPolarHBondContact CG2-O 3.28Å; V85-N112 VanDerWaalsContact CG2-ND2 3.32Å; V85-N112 WeakPolarHBondContact CG2-ND2 3.47Å; N108-N112 WeakPolarHBondContact O-CB 3.32Å; N108-N112 PolarHBondContact O-N 3.04Å; N109-N112 PolarHBondContact O-N 3.24Å; N112-R114 PolarHBondContact O-N 3.23Å; N112-R114 PolarHBondContact OD1-N 3.46Å; N112-R114 VanDerWaalsContact OD1-N 3.14Å; N112-Q115 PolarHBondContact OD1-N 2.77Å; N112-I116 HydrophobicContact CB-CB 4.25Å; N112-I116 HydrophobicContact CB-CG1 3.95Å; N112-I116 PolarHBondContact O-N 2.91Å
113Q92.3Very high95.7Very high123 Ų12336 Ų3658%0.57517%0.171SC*.THydrogen-bonded Turntrans-69.2-18.4179.7-65.9175.13100114.2V2 Y111 K117V2-Q113 HydrophobicContact CG2-CB 4.33Å; V2-Q113 HydrophobicContact CG2-CG 3.85Å; Y111-Q113 PolarHBondContact O-N 3.22Å; Q113-K117 PolarHBondContact O-NZ 3.47Å
114R94.3Very high95.4Very high137 Ų13740.3 Ų40.352%0.51720%0.195SC..THydrogen-bonded Turntrans-77.2-54.1-172.3-169.5-175.7-176.5175.37.2111.4E92 I95 N112E92-R114 IonicContact OE1-CZ 2.68Å; E92-R114 IonicContact OE1-NH1 2.87Å; E92-R114 PolarHBondContact OE1-NH1 3.15Å; E92-R114 IonicContact OE1-NH2 3.28Å; E92-R114 PolarHBondContact OE1-NH2 2.97Å; E92-R114 IonicContact OE2-CZ 3.75Å; E92-R114 IonicContact OE2-NH1 3.83Å; E92-R114 IonicContact OE2-NH2 2.76Å; E92-R114 PolarHBondContact OE2-NH2 3.1Å; I95-R114 WeakPolarHBondContact CD1-O 3.39Å; N112-R114 PolarHBondContact O-N 3.23Å; N112-R114 PolarHBondContact OD1-N 3.46Å; N112-R114 VanDerWaalsContact OD1-N 3.14Å
115Q96.8Very high95.3Very high13 Ų1342 Ų426%0.06121%0.205CC..THydrogen-bonded Turntrans-119.9-21.1-166.6-62.6-177.9-89.700113.9V85 Q91 C94 I95 F96 N112V85-Q115 HydrophobicContact CG2-CB 4.29Å; Q91-Q115 PolarHBondContact O-NE2 3.41Å; C94-Q115 WeakPolarHBondContact O-CB 3.43Å; C94-Q115 WeakPolarHBondContact O-CG 2.9Å; C94-Q115 PolarHBondContact O-NE2 2.9Å; C94-Q115 VanDerWaalsContact O-NE2 3.15Å; I95-Q115 CarbonylContact C-O 3.45Å; I95-Q115 WeakPolarHBondContact CA-O 3.39Å; F96-Q115 PolarHBondContact N-O 3.01Å; N112-Q115 PolarHBondContact OD1-N 2.77Å
116I97.9Very high95Very high0 Ų047.2 Ų47.20%024%0.237CC..EExtended strand (participates in β ladder)trans-102.9129.7-177.4-54.9-54.8000110.2V2 V84 V85 F96 V98 N109 N112 L118V2-I116 WeakPolarHBondContact CB-O 3.42Å; V2-I116 WeakPolarHBondContact CG1-O 3.48Å; V84-I116 HydrophobicContact CB-CD1 3.85Å; V84-I116 HydrophobicContact CG1-CD1 3.75Å; V85-I116 HydrophobicContact CG2-CD1 3.87Å; V85-I116 HydrophobicContact CG2-CG1 4.07Å; F96-I116 HydrophobicContact CB-CD1 3.76Å; F96-I116 HydrophobicContact CD2-CD1 3.83Å; F96-I116 HydrophobicContact CG-CD1 4.06Å; V98-I116 HydrophobicContact CG2-CG2 4.39Å; N109-I116 HydrophobicContact CB-CG2 4.21Å; N112-I116 HydrophobicContact CB-CB 4.25Å; N112-I116 HydrophobicContact CB-CG1 3.95Å; N112-I116 PolarHBondContact O-N 2.91Å; I116-L118 HydrophobicContact CG2-CD2 4.04Å; I116-L118 HydrophobicContact CG2-CG 4.3Å
117K97.9Very high94.8Very high49 Ų4950.4 Ų50.421%0.21326%0.255CS..EExtended strand (participates in β ladder)trans-123.8118.1174.6-56-57.3-179.6-1700108.9V2 L4 I95 F96 Y97 V98 Q113V2-K117 HydrophobicContact CG1-CD 3.73Å; L4-K117 HydrophobicContact CD1-CB 4.24Å; L4-K117 HydrophobicContact CD2-CB 4.01Å; L4-K117 HydrophobicContact CD2-CD 4.02Å; L4-K117 HydrophobicContact CD2-CG 4.36Å; L4-K117 HydrophobicContact CG-CB 4.26Å; I95-K117 HydrophobicContact CG2-CG 3.88Å; F96-K117 PolarHBondContact O-N 2.96Å; Y97-K117 CarbonylContact C-O 3.57Å; Y97-K117 WeakPolarHBondContact CA-O 3.45Å; Y97-K117 HydrophobicContact CD1-CB 3.52Å; Y97-K117 HydrophobicContact CD1-CG 4.12Å; Y97-K117 HydrophobicContact CE1-CB 3.68Å; Y97-K117 HydrophobicContact CE1-CG 3.8Å; Y97-K117 HydrophobicContact CG-CB 4.37Å; V98-K117 PolarHBondContact N-O 3.25Å; Q113-K117 PolarHBondContact O-NZ 3.47Å
118L98Very high94.7Very high3 Ų351.3 Ų51.32%0.01626%0.261CS..EExtended strand (participates in β ladder)trans-94.5125.6-174.2-61.9167.7000110.6V2 I3 L4 V98 I105 F110 I116V2-L118 PolarHBondContact O-N 2.82Å; I3-L118 HydrophobicContact CG1-CB 4.42Å; I3-L118 HydrophobicContact CG1-CD1 4.4Å; L4-L118 PolarHBondContact N-O 2.93Å; L4-L118 VanDerWaalsContact N-O 3.1Å; V98-L118 HydrophobicContact CB-CD2 4.14Å; V98-L118 HydrophobicContact CG1-CD2 4.44Å; I105-L118 HydrophobicContact CD1-CD1 3.95Å; I105-L118 HydrophobicContact CD1-CD2 4.47Å; I105-L118 HydrophobicContact CG2-CD1 4.02Å; I105-L118 HydrophobicContact CG2-CD2 4.14Å; F110-L118 HydrophobicContact CD2-CD1 4.28Å; I116-L118 HydrophobicContact CG2-CD2 4.04Å; I116-L118 HydrophobicContact CG2-CG 4.3Å
119L98Very high94.7Very high4 Ų449.6 Ų49.62%0.02125%0.252CS..  trans-100.891.6178.5-54.7-176.7000109.3L4 I7 F11 Y97 V98 C99 V193 M194L4-L119 HydrophobicContact CD1-CD2 3.38Å; L4-L119 HydrophobicContact CG-CD2 4.1Å; I7-L119 HydrophobicContact CG2-CD2 3.92Å; F11-L119 HydrophobicContact CB-CD2 3.73Å; F11-L119 HydrophobicContact CD1-CD1 3.74Å; F11-L119 HydrophobicContact CD1-CD2 4.13Å; F11-L119 HydrophobicContact CD2-CD1 4.01Å; F11-L119 HydrophobicContact CD2-CD2 4.46Å; F11-L119 HydrophobicContact CE1-CD1 3.74Å; F11-L119 HydrophobicContact CE2-CD1 3.98Å; F11-L119 HydrophobicContact CG-CD1 3.86Å; F11-L119 HydrophobicContact CG-CD2 3.86Å; F11-L119 HydrophobicContact CZ-CD1 3.86Å; Y97-L119 HydrophobicContact CD1-CD2 4.26Å; V98-L119 PolarHBondContact O-N 3.24Å; C99-L119 HydrophobicContact CB-CB 3.94Å; C99-L119 HydrophobicContact CB-CD1 4.04Å; C99-L119 HydrophobicContact CB-CG 4.49Å; L119-V193 HydrophobicContact CB-CG1 4.42Å; L119-M194 HydrophobicContact CD1-CE 3.55Å
120C96.2Very high94.6Very high18 Ų1856.7 Ų56.712%0.12228%0.283CS..  trans-122.1158.5-178.4-53.10000111.3I3 E123I3-C120 HydrophobicContact CG2-CB 4.2Å; C120-E123 HydrophobicContact CB-CB 3.87Å; C120-E123 HydrophobicContact CB-CG 4.29Å; C120-E123 WeakPolarHBondContact CB-OE2 3.33Å
121L94Very high94.4Very high24 Ų2461.5 Ų61.513%0.12630%0.304CS..SBendtrans-124127.2171.6-178.571.1000108.6E123 V188 V192 V193 D196L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.05Å; L121-V188 HydrophobicContact CB-CG1 3.99Å; L121-V192 HydrophobicContact CD2-CG1 4.12Å; L121-V193 HydrophobicContact CB-CG2 3.93Å; L121-D196 HydrophobicContact CD1-CB 4.48Å; L121-D196 HydrophobicContact CD2-CB 4.45Å
122N89Confident94.3Very high145 Ų14567 Ų6778%0.77533%0.331SS*.SBendtrans51.941179.9-56.9-29.1000114.3D124N122-D124 PolarHBondContact O-N 3Å
123E92.4Very high94.2Very high40 Ų4067.2 Ų67.219%0.18733%0.332CS..  trans-65.3125.4-176.2-169.164.4-15300112.7I3 R103 C120 L121 T125I3-E123 HydrophobicContact CD1-CB 3.9Å; I3-E123 HydrophobicContact CD1-CG 3.69Å; R103-E123 IonicContact CZ-OE1 3.11Å; R103-E123 IonicContact CZ-OE2 3.7Å; R103-E123 IonicContact NE-OE1 3.84Å; R103-E123 PolarHBondContact NE-OE1 3.41Å; R103-E123 IonicContact NE-OE2 2.91Å; R103-E123 PolarHBondContact NE-OE2 3.43Å; R103-E123 IonicContact NH2-OE1 3.97Å; R103-E123 IonicContact NH2-OE2 2.92Å; R103-E123 PolarHBondContact NH2-OE2 3.33Å; C120-E123 HydrophobicContact CB-CB 3.87Å; C120-E123 HydrophobicContact CB-CG 4.29Å; C120-E123 WeakPolarHBondContact CB-OE2 3.33Å; L121-E123 VanDerWaalsContact C-N 3.28Å; L121-E123 PolarHBondContact O-N 3.05Å; E123-T125 HydrophobicContact CG-CG2 4.16Å; E123-T125 PolarHBondContact O-N 3.09Å
124D91.1Very high94.2Very high95 Ų9561.5 Ų61.551%0.50831%0.306SS..  trans-84110.8170.4-176.63.6000110.7N122 T126N122-D124 PolarHBondContact O-N 3Å; D124-T126 VanDerWaalsContact CG-OG1 3.29Å; D124-T126 VanDerWaalsContact OD1-CB 3.23Å; D124-T126 WeakPolarHBondContact OD1-CB 3.33Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.46Å; D124-T126 PolarHBondContact OD1-N 2.83Å; D124-T126 PolarHBondContact OD1-OG1 2.9Å; D124-T126 PolarHBondContact OD2-OG1 3.42Å
125T92.3Very high94.1Very high54 Ų5457.7 Ų57.733%0.33129%0.293SS..  trans-100.48.9178.968.60000113.5M1 I3 F110 E123 L127 V128M1-T125 HydrophobicContact SD-CG2 4.13Å; I3-T125 HydrophobicContact CD1-CG2 3.58Å; F110-T125 HydrophobicContact CE2-CG2 4.09Å; F110-T125 HydrophobicContact CZ-CG2 4.05Å; E123-T125 HydrophobicContact CG-CG2 4.16Å; E123-T125 PolarHBondContact O-N 3.09Å; T125-L127 VanDerWaalsContact C-N 3.29Å; T125-L127 PolarHBondContact O-N 2.88Å; T125-V128 PolarHBondContact O-N 3.12Å
126T91.8Very high93.7Very high111 Ų11162.9 Ų62.968%0.68131%0.312SS*.THydrogen-bonded Turntrans-64.2-32.6-174.156.20000113.3D124 V128D124-T126 VanDerWaalsContact CG-OG1 3.29Å; D124-T126 VanDerWaalsContact OD1-CB 3.23Å; D124-T126 WeakPolarHBondContact OD1-CB 3.33Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.46Å; D124-T126 PolarHBondContact OD1-N 2.83Å; D124-T126 PolarHBondContact OD1-OG1 2.9Å; D124-T126 PolarHBondContact OD2-OG1 3.42Å; T126-V128 VanDerWaalsContact C-N 3.34Å
127L91.6Very high92.7Very high109 Ų10972.2 Ų72.257%0.57136%0.356SS*.THydrogen-bonded Turntrans-82.9-9179-61.4179.5000113.6T125 P129 Y180T125-L127 VanDerWaalsContact C-N 3.29Å; T125-L127 PolarHBondContact O-N 2.88Å; L127-P129 WeakPolarHBondContact O-CD 3.48Å; L127-Y180 VanDerWaalsContact O-CD2 3.31Å; L127-Y180 WeakPolarHBondContact O-CD2 3.24Å
128V94.7Very high91.6Very high23 Ų2372.1 Ų72.114%0.13936%0.355CS..SBendtrans-74122.2-176.3-1760000109.9I107 F110 Y111 T125 T126 Y180I107-V128 HydrophobicContact CD1-CG1 4.17Å; F110-V128 HydrophobicContact CD1-CG1 3.72Å; F110-V128 HydrophobicContact CD2-CG1 4.44Å; F110-V128 HydrophobicContact CD2-CG2 4.44Å; F110-V128 HydrophobicContact CE1-CB 4.38Å; F110-V128 HydrophobicContact CE1-CG1 3.6Å; F110-V128 HydrophobicContact CE2-CG1 4.33Å; F110-V128 HydrophobicContact CE2-CG2 3.98Å; F110-V128 HydrophobicContact CG-CG1 4.14Å; F110-V128 HydrophobicContact CZ-CB 4.25Å; F110-V128 HydrophobicContact CZ-CG1 3.91Å; F110-V128 HydrophobicContact CZ-CG2 4.05Å; Y111-V128 HydrophobicContact CE2-CG1 4.27Å; T125-V128 PolarHBondContact O-N 3.12Å; T126-V128 VanDerWaalsContact C-N 3.34Å; V128-Y180 HydrophobicContact CB-CE2 4.38Å; V128-Y180 HydrophobicContact CG2-CE2 3.92Å
129P95.1Very high90.2Very high13 Ų1374.7 Ų74.78%0.08437%0.374CS..PPolyproline II helixtrans-58.4142.6176.8-24.734.3000111.6Y111 L127 V134 L176 Y180Y111-P129 PolarHBondContact OH-O 3.43Å; L127-P129 WeakPolarHBondContact O-CD 3.48Å; P129-V134 HydrophobicContact CB-CG1 3.68Å; P129-V134 HydrophobicContact CG-CG1 4.39Å; P129-L176 HydrophobicContact CB-CB 4.42Å; P129-L176 HydrophobicContact CG-CB 4.42Å; P129-Y180 HydrophobicContact CG-CG 4.11Å
130K94.5Very high88.3Confident150 Ų15078.8 Ų78.865%0.65240%0.403SS*.PPolyproline II helixtrans-65.1146.8-179.5-62.6178.5-1801780111.4E132 D133 V134K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 3.17Å; K130-D133 WeakPolarHBondContact O-CB 3.45Å; K130-D133 PolarHBondContact O-N 3.3Å; K130-V134 WeakPolarHBondContact O-CG2 3.39Å; K130-V134 PolarHBondContact O-N 3.23Å
131F93.8Very high86.5Confident106 Ų10684.3 Ų84.347%0.46543%0.431SS..Hα-helixtrans-48.9-50.2-179.4-179.3-99.2000113.1Y111 D133 V134 F135Y111-F131 HydrophobicContact CD1-CB 4.11Å; Y111-F131 AromaticContact CD1-CD2 3.51Å; Y111-F131 HydrophobicContact CD1-CD2 3.51Å; Y111-F131 HydrophobicContact CD1-CE2 4.42Å; Y111-F131 HydrophobicContact CD1-CG 4.26Å; Y111-F131 HydrophobicContact CE1-CB 3.63Å; Y111-F131 AromaticContact CE1-CD2 3.96Å; Y111-F131 HydrophobicContact CE1-CD2 3.96Å; Y111-F131 HydrophobicContact CE1-CG 4.28Å; Y111-F131 AromaticContact CG-CD2 3.85Å; Y111-F131 HydrophobicContact CG-CD2 3.85Å; Y111-F131 PolarHBondContact OH-N 3.26Å; Y111-F131 VanDerWaalsContact OH-N 3.14Å; F131-D133 PolarHBondContact O-N 3.22Å; F131-V134 PolarHBondContact O-N 3.16Å; F131-V134 VanDerWaalsContact O-N 3.12Å; F131-F135 HydrophobicContact CD2-CB 4.11Å; F131-F135 AromaticContact CD2-CD2 3.49Å; F131-F135 HydrophobicContact CD2-CD2 3.49Å; F131-F135 VanDerWaalsContact CD2-CD2 3.49Å; F131-F135 HydrophobicContact CD2-CE2 4.33Å; F131-F135 HydrophobicContact CD2-CG 4.11Å; F131-F135 HydrophobicContact CE1-CB 4.17Å; F131-F135 HydrophobicContact CE2-CB 3.69Å; F131-F135 AromaticContact CE2-CD2 3.56Å; F131-F135 HydrophobicContact CE2-CD2 3.56Å; F131-F135 HydrophobicContact CE2-CE2 4.46Å; F131-F135 AromaticContact CE2-CG 3.76Å; F131-F135 HydrophobicContact CE2-CG 3.76Å; F131-F135 HydrophobicContact CG-CD2 4.34Å; F131-F135 HydrophobicContact CZ-CB 3.72Å; F131-F135 HydrophobicContact CZ-CD2 4.45Å; F131-F135 HydrophobicContact CZ-CG 4.27Å; F131-F135 PolarHBondContact O-N 3.42Å
132E92.8Very high84.5Confident155 Ų15585.6 Ų85.672%0.72444%0.436SS*.Hα-helixtrans-64.7-22.1-177.6-61.3168.8-165.300113.6K130 W169K130-E132 VanDerWaalsContact C-N 3.33Å; K130-E132 PolarHBondContact O-N 3.17Å; E132-W169 PolarHBondContact O-NE1 3.45Å
133D93Very high82.8Confident39 Ų3982.1 Ų82.121%0.20942%0.424CS..Hα-helixtrans-84.4-20.9178.4-71-49.3000112.5K130 F131 K172 L176K130-D133 WeakPolarHBondContact O-CB 3.45Å; K130-D133 PolarHBondContact O-N 3.3Å; F131-D133 PolarHBondContact O-N 3.22Å; D133-K172 IonicContact OD1-NZ 2.86Å; D133-K172 PolarHBondContact OD1-NZ 3.09Å; D133-L176 HydrophobicContact CB-CD1 3.57Å
134V93.4Very high81Confident3 Ų383.7 Ų83.72%0.01843%0.433CS..Hα-helixtrans-116.4-23.6-176.8-70.30000114.6I107 Y111 P129 K130 F131 R173 L177I107-V134 HydrophobicContact CD1-CG2 4.28Å; I107-V134 HydrophobicContact CG1-CB 4.37Å; I107-V134 HydrophobicContact CG1-CG1 4.48Å; I107-V134 HydrophobicContact CG1-CG2 4.02Å; Y111-V134 HydrophobicContact CE2-CG2 4.14Å; P129-V134 HydrophobicContact CB-CG1 3.68Å; P129-V134 HydrophobicContact CG-CG1 4.39Å; K130-V134 WeakPolarHBondContact O-CG2 3.39Å; K130-V134 PolarHBondContact O-N 3.23Å; F131-V134 PolarHBondContact O-N 3.16Å; F131-V134 VanDerWaalsContact O-N 3.12Å; V134-R173 VanDerWaalsContact O-CD 3.32Å; V134-R173 WeakPolarHBondContact O-CD 3.24Å; V134-R173 PolarHBondContact O-NE 3.16Å; V134-L177 HydrophobicContact CG1-CD2 3.88Å; V134-L177 HydrophobicContact CG1-CG 4.27Å
135F92Very high79.2Confident58 Ų5885.1 Ų85.125%0.25444%0.437SS..  trans-123.3121.7176.1-61.1-78.4000109.8I107 N108 Y111 F131I107-F135 HydrophobicContact CG1-CE2 4.17Å; I107-F135 HydrophobicContact CG1-CZ 4.41Å; N108-F135 WeakPolarHBondContact OD1-CZ 3.43Å; Y111-F135 HydrophobicContact CD2-CD2 4.15Å; Y111-F135 AromaticContact CD2-CE2 3.47Å; Y111-F135 HydrophobicContact CD2-CE2 3.47Å; Y111-F135 VanDerWaalsContact CD2-CE2 3.47Å; Y111-F135 HydrophobicContact CD2-CZ 4.44Å; Y111-F135 HydrophobicContact CE2-CE2 4.29Å; Y111-F135 HydrophobicContact CG-CD2 4.27Å; Y111-F135 AromaticContact CG-CE2 3.79Å; Y111-F135 HydrophobicContact CG-CE2 3.79Å; F131-F135 HydrophobicContact CD2-CB 4.11Å; F131-F135 AromaticContact CD2-CD2 3.49Å; F131-F135 HydrophobicContact CD2-CD2 3.49Å; F131-F135 VanDerWaalsContact CD2-CD2 3.49Å; F131-F135 HydrophobicContact CD2-CE2 4.33Å; F131-F135 HydrophobicContact CD2-CG 4.11Å; F131-F135 HydrophobicContact CE1-CB 4.17Å; F131-F135 HydrophobicContact CE2-CB 3.69Å; F131-F135 AromaticContact CE2-CD2 3.56Å; F131-F135 HydrophobicContact CE2-CD2 3.56Å; F131-F135 HydrophobicContact CE2-CE2 4.46Å; F131-F135 AromaticContact CE2-CG 3.76Å; F131-F135 HydrophobicContact CE2-CG 3.76Å; F131-F135 HydrophobicContact CG-CD2 4.34Å; F131-F135 HydrophobicContact CZ-CB 3.72Å; F131-F135 HydrophobicContact CZ-CD2 4.45Å; F131-F135 HydrophobicContact CZ-CG 4.27Å; F131-F135 PolarHBondContact O-N 3.42Å
136R87.9Confident77.3Confident122 Ų12289.9 Ų89.946%0.4646%0.46SS..  trans-144.5128.3174.3-174.6168.9179.3-176.2-0.5109.1F138 W169R136-F138 HydrophobicContact CB-CE2 4.16Å; R136-F138 HydrophobicContact CB-CZ 4.4Å; R136-F138 HydrophobicContact CG-CE1 4.32Å; R136-F138 HydrophobicContact CG-CE2 4.19Å; R136-F138 HydrophobicContact CG-CZ 4.08Å; R136-F138 PolarHBondContact O-N 3.29Å; R136-W169 HydrophobicContact CB-CD2 4.26Å; R136-W169 HydrophobicContact CB-CH2 3.77Å; R136-W169 HydrophobicContact CB-CZ2 3.33Å; R136-W169 HydrophobicContact CB-CZ3 4.41Å
137E78.6Confident75.4Confident196 Ų19687 Ų8792%0.91645%0.445SS*.  trans-80.6112.8169.2-68.3179.1-17800108
138F73.8Confident73.6Confident46 Ų4689.8 Ų89.820%0.20246%0.455CS..  trans-89.8143165.8-69-74000107.7R136 E142 K166 W169R136-F138 HydrophobicContact CB-CE2 4.16Å; R136-F138 HydrophobicContact CB-CZ 4.4Å; R136-F138 HydrophobicContact CG-CE1 4.32Å; R136-F138 HydrophobicContact CG-CE2 4.19Å; R136-F138 HydrophobicContact CG-CZ 4.08Å; R136-F138 PolarHBondContact O-N 3.29Å; F138-E142 VanDerWaalsContact CA-OE2 3.31Å; F138-E142 WeakPolarHBondContact CA-OE2 3.12Å; F138-E142 HydrophobicContact CB-CB 4.15Å; F138-E142 WeakPolarHBondContact CB-OE2 3.26Å; F138-E142 WeakPolarHBondContact CD1-OE2 3.28Å; F138-K166 HydrophobicContact CD1-CB 4.36Å; F138-K166 HydrophobicContact CD1-CD 4.48Å; F138-K166 HydrophobicContact CD1-CG 4.09Å; F138-K166 HydrophobicContact CD2-CG 4.21Å; F138-K166 HydrophobicContact CE1-CB 3.89Å; F138-K166 HydrophobicContact CE1-CG 3.82Å; F138-K166 HydrophobicContact CE2-CG 3.94Å; F138-K166 HydrophobicContact CG-CD 4.4Å; F138-K166 HydrophobicContact CG-CG 4.27Å; F138-K166 HydrophobicContact CZ-CB 4.14Å; F138-K166 HydrophobicContact CZ-CG 3.74Å; F138-W169 HydrophobicContact CE2-CD2 4.13Å; F138-W169 AromaticContact CE2-CE3 3.53Å; F138-W169 HydrophobicContact CE2-CE3 3.53Å; F138-W169 HydrophobicContact CE2-CH2 4.48Å; F138-W169 AromaticContact CE2-CZ3 3.74Å; F138-W169 HydrophobicContact CE2-CZ3 3.74Å; F138-W169 HydrophobicContact CZ-CB 4.23Å; F138-W169 AromaticContact CZ-CD2 3.91Å; F138-W169 HydrophobicContact CZ-CD2 3.91Å; F138-W169 AromaticContact CZ-CE3 3.69Å; F138-W169 HydrophobicContact CZ-CE3 3.69Å; F138-W169 HydrophobicContact CZ-CG 4.15Å; F138-W169 HydrophobicContact CZ-CZ3 4.35Å
139S68.8Low71.6Confident57 Ų5796.2 Ų96.240%0.39948%0.483SS..  trans-62150.7178.864.30000110.3D141 E142S139-D141 PolarHBondContact O-N 3.47Å; S139-D141 VanDerWaalsContact O-N 3.08Å; S139-E142 PolarHBondContact N-OE2 3.25Å; S139-E142 VanDerWaalsContact N-OE2 3.11Å; S139-E142 WeakPolarHBondContact O-CA 3.36Å; S139-E142 VanDerWaalsContact O-CB 3.28Å; S139-E142 WeakPolarHBondContact O-CB 3.4Å; S139-E142 PolarHBondContact O-N 3.19Å; S139-E142 WeakPolarHBondContact OG-CG 3.29Å; S139-E142 PolarHBondContact OG-OE1 2.95Å; S139-E142 VanDerWaalsContact OG-OE1 3.07Å
140S57.7Low69.5Low91 Ų9197.9 Ų97.964%0.63649%0.49SS*.G310 helixtrans-54.5-32.2-177.150.80000113E142 S143S140-E142 PolarHBondContact O-N 2.97Å; S140-E142 VanDerWaalsContact O-N 3.16Å; S140-S143 PolarHBondContact O-N 3.38Å; S140-S143 VanDerWaalsContact O-N 3.13Å; S140-S143 PolarHBondContact O-OG 3.48Å
141D59.1Low67.5Low133 Ų13399 Ų9971%0.71150%0.497SS*.G310 helixtrans-64.2-16.6176.7-63.5-14000113.1S139S139-D141 PolarHBondContact O-N 3.47Å; S139-D141 VanDerWaalsContact O-N 3.08Å
142E52.5Low65.8Low51 Ų51101.3 Ų101.324%0.23852%0.515CS..G310 helixtrans-94.4-5.2179-63.4164-171.600113.2F138 S139 S140 K166F138-E142 VanDerWaalsContact CA-OE2 3.31Å; F138-E142 WeakPolarHBondContact CA-OE2 3.12Å; F138-E142 HydrophobicContact CB-CB 4.15Å; F138-E142 WeakPolarHBondContact CB-OE2 3.26Å; F138-E142 WeakPolarHBondContact CD1-OE2 3.28Å; S139-E142 PolarHBondContact N-OE2 3.25Å; S139-E142 VanDerWaalsContact N-OE2 3.11Å; S139-E142 WeakPolarHBondContact O-CA 3.36Å; S139-E142 VanDerWaalsContact O-CB 3.28Å; S139-E142 WeakPolarHBondContact O-CB 3.4Å; S139-E142 PolarHBondContact O-N 3.19Å; S139-E142 WeakPolarHBondContact OG-CG 3.29Å; S139-E142 PolarHBondContact OG-OE1 2.95Å; S139-E142 VanDerWaalsContact OG-OE1 3.07Å; S140-E142 PolarHBondContact O-N 2.97Å; S140-E142 VanDerWaalsContact O-N 3.16Å; E142-K166 PolarHBondContact O-NZ 3.17Å
143S52.1Low64.3Low73 Ų73102.9 Ų102.951%0.5151%0.514SS..  trans-90.9-16.5-172.369.60000115.4S140 E145S140-S143 PolarHBondContact O-N 3.38Å; S140-S143 VanDerWaalsContact O-N 3.13Å; S140-S143 PolarHBondContact O-OG 3.48Å; S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 PolarHBondContact O-N 2.81Å
144D54.1Low62.9Low73 Ų73112.9 Ų112.939%0.3955%0.549SS..  trans-74.273.9178.2-73.7-19.3000111.6D146 Q150D144-D146 VanDerWaalsContact C-N 3.35Å; D144-Q150 PolarHBondContact OD2-NE2 3.36Å
145E54.6Low61.6Low124 Ų124115.8 Ų115.858%0.57956%0.564SS**SBendtrans-75.9-23.7171.3-73.8-177.4-166.500112.4S143 K166S143-E145 VanDerWaalsContact C-N 3.28Å; S143-E145 PolarHBondContact O-N 2.81Å; E145-K166 WeakPolarHBondContact OE1-CE 3.39Å; E145-K166 IonicContact OE1-NZ 3.48Å; E145-K166 PolarHBondContact OE1-NZ 3.35Å
146D51.8Low61Low154 Ų154119 Ų11982%0.82458%0.58SS**SBendtrans-1201.6-166.2-65.3-37.6000115.7D144 E148D144-D146 VanDerWaalsContact C-N 3.35Å; D146-E148 PolarHBondContact O-N 3.31Å; D146-E148 VanDerWaalsContact O-N 3.07Å
147S52.1Low60.6Low51 Ų51117.4 Ų117.436%0.35759%0.585SS.*  trans-75101.8174.5-64.40000109.5E149 Q150S147-E149 PolarHBondContact O-N 2.96Å; S147-Q150 PolarHBondContact O-N 3.12Å
148E54Low60.8Low167 Ų167113.2 Ų113.278%0.7857%0.569SS**G310 helixtrans-48.2-28.9171.6-68.7-168.2167.500112D146 Q150 Q151D146-E148 PolarHBondContact O-N 3.31Å; D146-E148 VanDerWaalsContact O-N 3.07Å; E148-Q150 VanDerWaalsContact C-N 3.3Å; E148-Q150 PolarHBondContact O-N 2.79Å; E148-Q151 PolarHBondContact O-N 2.85Å
149E52.5Low61.2Low159 Ų159114.2 Ų114.274%0.74358%0.576SS**G310 helixtrans-62.1-26.9177.5-66.2-169.6165.300114.7S147S147-E149 PolarHBondContact O-N 2.96Å
150Q50.6Low61.8Low48 Ų48115.3 Ų115.322%0.22458%0.577CS.*G310 helixtrans-82.1-19.8178.9-76.5-162.91200113.7D144 S147 E148 N152 R153D144-Q150 PolarHBondContact OD2-NE2 3.36Å; S147-Q150 PolarHBondContact O-N 3.12Å; E148-Q150 VanDerWaalsContact C-N 3.3Å; E148-Q150 PolarHBondContact O-N 2.79Å; Q150-N152 PolarHBondContact O-N 2.73Å; Q150-R153 PolarHBondContact O-N 3.21Å
151Q52.2Low63.2Low172 Ų172116.7 Ų116.780%0.80457%0.573SS**THydrogen-bonded Turntrans-65-24.3-179.8-73.5-172.45.100112.8E148E148-Q151 PolarHBondContact O-N 2.85Å
152N58Low64.4Low156 Ų156115 Ų11583%0.83456%0.56SS**THydrogen-bonded Turntrans-86.8-7.5-179.4-81.4-26.2000114.6Q150Q150-N152 PolarHBondContact O-N 2.73Å
153R61.8Low65.9Low188 Ų188116.6 Ų116.671%0.70956%0.564SS**SBendtrans-89131.8176.3-64.5-173-174.3-174.73.9109.5Q150 L155Q150-R153 PolarHBondContact O-N 3.21Å; R153-L155 PolarHBondContact O-N 2.8Å
154R64.2Low67.7Low249 Ų249116.9 Ų116.994%0.9456%0.559SS**  trans-60.7102168.7-76.8-177.2177.9179.1-0.7108.1
155L65.8Low69.4Low63 Ų63117.8 Ų117.833%0.3356%0.56SS.*  trans-62.1135.6176.4-64.3162.8000109.3R153 D159 I160R153-L155 PolarHBondContact O-N 2.8Å; L155-D159 HydrophobicContact CD2-CB 4.38Å; L155-I160 HydrophobicContact CB-CD1 4.27Å; L155-I160 HydrophobicContact CB-CG1 3.91Å; L155-I160 HydrophobicContact CD1-CG1 4.37Å
156Q77.9Confident71Confident126 Ų126112.9 Ų112.959%0.58954%0.537SS*.  trans-68.5151.7171-67.5-71.6-1.900109.1D158 D159 I160Q156-D158 PolarHBondContact O-N 3.16Å; Q156-D158 VanDerWaalsContact O-N 3.16Å; Q156-D159 PolarHBondContact N-OD2 3.46Å; Q156-D159 PolarHBondContact O-N 3.04Å; Q156-I160 PolarHBondContact O-N 3.18Å
157P80.2Confident72.9Confident88 Ų88114.1 Ų114.157%0.57153%0.53SS*.Hα-helixtrans-49.8-39175.7-28.135.6000113.2D159 I160 E161P157-D159 PolarHBondContact O-N 2.92Å; P157-I160 WeakPolarHBondContact O-CB 3.32Å; P157-I160 PolarHBondContact O-N 3.33Å; P157-E161 PolarHBondContact O-N 3.08Å
158D82.6Confident74.9Confident109 Ų109118.7 Ų118.758%0.58354%0.544SS*.Hα-helixtrans-64.3-37.7179.4-59-11.4000112.6Q156 I160 E161 K162Q156-D158 PolarHBondContact O-N 3.16Å; Q156-D158 VanDerWaalsContact O-N 3.16Å; D158-I160 VanDerWaalsContact C-N 3.31Å; D158-I160 PolarHBondContact O-N 3.42Å; D158-E161 PolarHBondContact O-N 3.29Å; D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 2.99Å
159D82.9Confident76.7Confident66 Ų66112.2 Ų112.235%0.35351%0.512SS..Hα-helixtrans-67.9-35.3177.6-58.9-38.5000111.1L155 Q156 P157 R163L155-D159 HydrophobicContact CD2-CB 4.38Å; Q156-D159 PolarHBondContact N-OD2 3.46Å; Q156-D159 PolarHBondContact O-N 3.04Å; P157-D159 PolarHBondContact O-N 2.92Å; D159-R163 WeakPolarHBondContact O-CB 3.42Å; D159-R163 VanDerWaalsContact O-CG 3.26Å; D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 2.84Å; D159-R163 VanDerWaalsContact O-N 3.09Å
160I82.1Confident78.7Confident80 Ų80107 Ų10741%0.4149%0.489SS..Hα-helixtrans-66.9-44.1176.4-61.2172.1000109.9L155 Q156 P157 D158 R163 I164L155-I160 HydrophobicContact CB-CD1 4.27Å; L155-I160 HydrophobicContact CB-CG1 3.91Å; L155-I160 HydrophobicContact CD1-CG1 4.37Å; Q156-I160 PolarHBondContact O-N 3.18Å; P157-I160 WeakPolarHBondContact O-CB 3.32Å; P157-I160 PolarHBondContact O-N 3.33Å; D158-I160 VanDerWaalsContact C-N 3.31Å; D158-I160 PolarHBondContact O-N 3.42Å; I160-R163 PolarHBondContact O-N 3.25Å; I160-I164 HydrophobicContact CG2-CD1 3.96Å; I160-I164 WeakPolarHBondContact O-CG1 3.36Å; I160-I164 PolarHBondContact O-N 3.46Å
161E85.2Confident80.8Confident120 Ų120112.5 Ų112.556%0.56151%0.508SS*.Hα-helixtrans-62.6-47.3178.8-170.3161.9-153.200111.5P157 D158 R163 I164 E165P157-E161 PolarHBondContact O-N 3.08Å; D158-E161 PolarHBondContact O-N 3.29Å; E161-R163 VanDerWaalsContact C-N 3.33Å; E161-R163 PolarHBondContact O-N 2.94Å; E161-I164 WeakPolarHBondContact O-CB 3.5Å; E161-I164 PolarHBondContact O-N 2.87Å; E161-I164 VanDerWaalsContact O-N 3.09Å; E161-E165 WeakPolarHBondContact O-CG 3.17Å; E161-E165 PolarHBondContact O-N 3.03Å
162K85.1Confident82.8Confident99 Ų99109 Ų10943%0.4349%0.49SS..Hα-helixtrans-57.1-42.5174.3-71.5176.6-179.2-176.80112.8D158 I164 E165 K166D158-K162 WeakPolarHBondContact O-CG 3.49Å; D158-K162 PolarHBondContact O-N 2.99Å; K162-I164 PolarHBondContact O-N 3.09Å; K162-E165 PolarHBondContact O-N 3.11Å; K162-K166 WeakPolarHBondContact O-CB 3.34Å; K162-K166 PolarHBondContact O-N 3.21Å
163R84.7Confident84.5Confident84 Ų84105 Ų10532%0.31746%0.463SS..Hα-helixtrans-63.5-39.9175.7-76.3174.3180-164.2-1.4112.2D159 I160 E161 R167D159-R163 WeakPolarHBondContact O-CB 3.42Å; D159-R163 VanDerWaalsContact O-CG 3.26Å; D159-R163 WeakPolarHBondContact O-CG 3.43Å; D159-R163 PolarHBondContact O-N 2.84Å; D159-R163 VanDerWaalsContact O-N 3.09Å; I160-R163 PolarHBondContact O-N 3.25Å; E161-R163 VanDerWaalsContact C-N 3.33Å; E161-R163 PolarHBondContact O-N 2.94Å; R163-R167 WeakPolarHBondContact O-CG 3.4Å; R163-R167 PolarHBondContact O-N 3.26Å
164I88.8Confident86Confident78 Ų78102.1 Ų102.140%0.446%0.458SS..Hα-helixtrans-64.6-43.3175.6-69.4166.8000110.2I160 E161 K162 R167 K168I160-I164 HydrophobicContact CG2-CD1 3.96Å; I160-I164 WeakPolarHBondContact O-CG1 3.36Å; I160-I164 PolarHBondContact O-N 3.46Å; E161-I164 WeakPolarHBondContact O-CB 3.5Å; E161-I164 PolarHBondContact O-N 2.87Å; E161-I164 VanDerWaalsContact O-N 3.09Å; K162-I164 PolarHBondContact O-N 3.09Å; I164-R167 PolarHBondContact O-N 2.86Å; I164-K168 HydrophobicContact CG2-CD 4.11Å; I164-K168 HydrophobicContact CG2-CG 4.47Å; I164-K168 WeakPolarHBondContact O-CB 3.32Å; I164-K168 WeakPolarHBondContact O-CG 3.46Å; I164-K168 PolarHBondContact O-N 2.92Å
165E89.5Confident87.4Confident92 Ų9294.3 Ų94.343%0.4343%0.432SS..Hα-helixtrans-62.3-45.7176-70.8-168.2163.900112.6E161 K162 R167 K168 W169E161-E165 WeakPolarHBondContact O-CG 3.17Å; E161-E165 PolarHBondContact O-N 3.03Å; K162-E165 PolarHBondContact O-N 3.11Å; E165-R167 VanDerWaalsContact C-N 3.34Å; E165-R167 PolarHBondContact O-N 2.81Å; E165-K168 PolarHBondContact O-N 2.65Å; E165-W169 WeakPolarHBondContact O-CB 3.03Å; E165-W169 PolarHBondContact O-N 3.08Å
166K89.9Confident88.8Confident22 Ų2293.5 Ų93.510%0.09643%0.428CS..Hα-helixtrans-57.5-45.9175.7-172.7-175.4-174.5-158.40111.4F138 E142 E145 K162 W169 N170F138-K166 HydrophobicContact CD1-CB 4.36Å; F138-K166 HydrophobicContact CD1-CD 4.48Å; F138-K166 HydrophobicContact CD1-CG 4.09Å; F138-K166 HydrophobicContact CD2-CG 4.21Å; F138-K166 HydrophobicContact CE1-CB 3.89Å; F138-K166 HydrophobicContact CE1-CG 3.82Å; F138-K166 HydrophobicContact CE2-CG 3.94Å; F138-K166 HydrophobicContact CG-CD 4.4Å; F138-K166 HydrophobicContact CG-CG 4.27Å; F138-K166 HydrophobicContact CZ-CB 4.14Å; F138-K166 HydrophobicContact CZ-CG 3.74Å; E142-K166 PolarHBondContact O-NZ 3.17Å; E145-K166 WeakPolarHBondContact OE1-CE 3.39Å; E145-K166 IonicContact OE1-NZ 3.48Å; E145-K166 PolarHBondContact OE1-NZ 3.35Å; K162-K166 WeakPolarHBondContact O-CB 3.34Å; K162-K166 PolarHBondContact O-N 3.21Å; K166-W169 PolarHBondContact O-N 3.31Å; K166-N170 WeakPolarHBondContact O-CB 3.31Å; K166-N170 PolarHBondContact O-N 3.3Å
167R91.3Very high89.6Confident180 Ų18088.4 Ų88.468%0.67941%0.405SS*.Hα-helixtrans-63.3-43.8176.4-73.2175-179.4175.40.3112.6R163 I164 E165 W169 N170 R171R163-R167 WeakPolarHBondContact O-CG 3.4Å; R163-R167 PolarHBondContact O-N 3.26Å; I164-R167 PolarHBondContact O-N 2.86Å; E165-R167 VanDerWaalsContact C-N 3.34Å; E165-R167 PolarHBondContact O-N 2.81Å; R167-W169 VanDerWaalsContact C-N 3.33Å; R167-N170 PolarHBondContact O-N 2.93Å; R167-R171 WeakPolarHBondContact O-CB 3.3Å; R167-R171 PolarHBondContact O-N 2.9Å
168K93.6Very high90.1Very high146 Ų14689.1 Ų89.164%0.63540%0.402SS*.Hα-helixtrans-60.9-43.6175.5-76.4175.4179.2175.80111.2I164 E165 K172I164-K168 HydrophobicContact CG2-CD 4.11Å; I164-K168 HydrophobicContact CG2-CG 4.47Å; I164-K168 WeakPolarHBondContact O-CB 3.32Å; I164-K168 WeakPolarHBondContact O-CG 3.46Å; I164-K168 PolarHBondContact O-N 2.92Å; E165-K168 PolarHBondContact O-N 2.65Å; K168-K172 WeakPolarHBondContact O-CB 3.44Å; K168-K172 PolarHBondContact O-N 3.31Å
169W92.5Very high90.6Very high31 Ų3188.9 Ų88.912%0.11740%0.4CS..Hα-helixtrans-66.3-46.8177.7-176.790.7000111.7E132 R136 F138 E165 K166 R167 R171 K172 R173E132-W169 PolarHBondContact O-NE1 3.45Å; R136-W169 HydrophobicContact CB-CD2 4.26Å; R136-W169 HydrophobicContact CB-CH2 3.77Å; R136-W169 HydrophobicContact CB-CZ2 3.33Å; R136-W169 HydrophobicContact CB-CZ3 4.41Å; F138-W169 HydrophobicContact CE2-CD2 4.13Å; F138-W169 AromaticContact CE2-CE3 3.53Å; F138-W169 HydrophobicContact CE2-CE3 3.53Å; F138-W169 HydrophobicContact CE2-CH2 4.48Å; F138-W169 AromaticContact CE2-CZ3 3.74Å; F138-W169 HydrophobicContact CE2-CZ3 3.74Å; F138-W169 HydrophobicContact CZ-CB 4.23Å; F138-W169 AromaticContact CZ-CD2 3.91Å; F138-W169 HydrophobicContact CZ-CD2 3.91Å; F138-W169 AromaticContact CZ-CE3 3.69Å; F138-W169 HydrophobicContact CZ-CE3 3.69Å; F138-W169 HydrophobicContact CZ-CG 4.15Å; F138-W169 HydrophobicContact CZ-CZ3 4.35Å; E165-W169 WeakPolarHBondContact O-CB 3.03Å; E165-W169 PolarHBondContact O-N 3.08Å; K166-W169 PolarHBondContact O-N 3.31Å; R167-W169 VanDerWaalsContact C-N 3.33Å; W169-R171 VanDerWaalsContact C-N 3.3Å; W169-R171 PolarHBondContact O-N 2.81Å; W169-K172 PolarHBondContact O-N 2.57Å; W169-R173 HydrophobicContact CE3-CB 4.49Å; W169-R173 HydrophobicContact CH2-CG 4.45Å; W169-R173 HydrophobicContact CZ3-CB 4.4Å; W169-R173 WeakPolarHBondContact O-CB 3.32Å; W169-R173 PolarHBondContact O-N 2.68Å
170N93.8Very high91.1Very high49 Ų4986.9 Ų86.926%0.26239%0.388SS..Hα-helixtrans-57.8-42.2176.7-80.3-14.2000111.9K166 R167 R173 Q174K166-N170 WeakPolarHBondContact O-CB 3.31Å; K166-N170 PolarHBondContact O-N 3.3Å; R167-N170 PolarHBondContact O-N 2.93Å; N170-R173 PolarHBondContact O-N 2.87Å; N170-Q174 WeakPolarHBondContact O-CG 3.33Å; N170-Q174 PolarHBondContact O-N 2.77Å
171R94Very high91.6Very high164 Ų16486.2 Ų86.262%0.61938%0.383SS*.Hα-helixtrans-63.9-49.4175.6-179.4179.1169.6175.41.6111.6R167 W169 R173 Q174 E175R167-R171 WeakPolarHBondContact O-CB 3.3Å; R167-R171 PolarHBondContact O-N 2.9Å; W169-R171 VanDerWaalsContact C-N 3.3Å; W169-R171 PolarHBondContact O-N 2.81Å; R171-R173 VanDerWaalsContact C-N 3.29Å; R171-R173 PolarHBondContact O-N 3.1Å; R171-Q174 PolarHBondContact O-N 2.84Å; R171-E175 WeakPolarHBondContact CG-OE1 2.9Å; R171-E175 IonicContact CZ-OE1 2.71Å; R171-E175 IonicContact NE-OE1 3.33Å; R171-E175 PolarHBondContact NE-OE1 3.13Å; R171-E175 IonicContact NH2-OE1 3.9Å; R171-E175 PolarHBondContact NH2-OE1 3.44Å; R171-E175 WeakPolarHBondContact O-CG 3.47Å; R171-E175 PolarHBondContact O-N 3.02Å
172K94.8Very high92Very high99 Ų9981.3 Ų81.343%0.4336%0.362SS..Hα-helixtrans-58-43.2176.7-172.9-169.3179.5-161.70111.3D133 K168 W169 E175 L176D133-K172 IonicContact OD1-NZ 2.86Å; D133-K172 PolarHBondContact OD1-NZ 3.09Å; K168-K172 WeakPolarHBondContact O-CB 3.44Å; K168-K172 PolarHBondContact O-N 3.31Å; W169-K172 PolarHBondContact O-N 2.57Å; K172-E175 PolarHBondContact O-N 3.43Å; K172-L176 HydrophobicContact CG-CD1 4.19Å; K172-L176 VanDerWaalsContact O-CG 3.32Å; K172-L176 WeakPolarHBondContact O-CG 3.5Å; K172-L176 PolarHBondContact O-N 2.55Å
173R95Very high92.4Very high72 Ų7280 Ų8027%0.27236%0.357SS..Hα-helixtrans-59.5-46.7176.2172.6176.7176.7-75.4-3.1111.5V134 W169 N170 R171 L176 L177V134-R173 VanDerWaalsContact O-CD 3.32Å; V134-R173 WeakPolarHBondContact O-CD 3.24Å; V134-R173 PolarHBondContact O-NE 3.16Å; W169-R173 HydrophobicContact CE3-CB 4.49Å; W169-R173 HydrophobicContact CH2-CG 4.45Å; W169-R173 HydrophobicContact CZ3-CB 4.4Å; W169-R173 WeakPolarHBondContact O-CB 3.32Å; W169-R173 PolarHBondContact O-N 2.68Å; N170-R173 PolarHBondContact O-N 2.87Å; R171-R173 VanDerWaalsContact C-N 3.29Å; R171-R173 PolarHBondContact O-N 3.1Å; R173-L176 PolarHBondContact O-N 3.22Å; R173-L177 HydrophobicContact CG-CD1 4.01Å; R173-L177 HydrophobicContact CG-CG 4.42Å; R173-L177 WeakPolarHBondContact O-CG 3.24Å; R173-L177 PolarHBondContact O-N 2.81Å
174Q92.8Very high92.9Very high128 Ų12876.7 Ų76.760%0.59835%0.347SS*.Hα-helixtrans-62.5-43.1177.9-76175.4-8.100111.9N170 R171 L177 M178N170-Q174 WeakPolarHBondContact O-CG 3.33Å; N170-Q174 PolarHBondContact O-N 2.77Å; R171-Q174 PolarHBondContact O-N 2.84Å; Q174-L177 PolarHBondContact O-N 2.54Å; Q174-M178 VanDerWaalsContact O-CB 3.22Å; Q174-M178 WeakPolarHBondContact O-CB 3.13Å; Q174-M178 PolarHBondContact O-N 2.79Å
175E93.9Very high93.3Very high84 Ų8475.6 Ų75.639%0.39334%0.338SS..Hα-helixtrans-60-46.5175.8-70.7169-176.700110.8R171 K172 M178 D179R171-E175 WeakPolarHBondContact CG-OE1 2.9Å; R171-E175 IonicContact CZ-OE1 2.71Å; R171-E175 IonicContact NE-OE1 3.33Å; R171-E175 PolarHBondContact NE-OE1 3.13Å; R171-E175 IonicContact NH2-OE1 3.9Å; R171-E175 PolarHBondContact NH2-OE1 3.44Å; R171-E175 WeakPolarHBondContact O-CG 3.47Å; R171-E175 PolarHBondContact O-N 3.02Å; K172-E175 PolarHBondContact O-N 3.43Å; E175-M178 PolarHBondContact O-N 2.82Å; E175-D179 VanDerWaalsContact O-CG 3.3Å; E175-D179 PolarHBondContact O-N 2.88Å
176L94.8Very high93.6Very high47 Ų4772.7 Ų72.725%0.24632%0.324CS..Hα-helixtrans-64.8-41.4178.2-71.9170.9000113.9P129 D133 K172 R173 D179 Y180P129-L176 HydrophobicContact CB-CB 4.42Å; P129-L176 HydrophobicContact CG-CB 4.42Å; D133-L176 HydrophobicContact CB-CD1 3.57Å; K172-L176 HydrophobicContact CG-CD1 4.19Å; K172-L176 VanDerWaalsContact O-CG 3.32Å; K172-L176 WeakPolarHBondContact O-CG 3.5Å; K172-L176 PolarHBondContact O-N 2.55Å; R173-L176 PolarHBondContact O-N 3.22Å; L176-D179 PolarHBondContact O-N 2.97Å; L176-Y180 WeakPolarHBondContact O-CB 3.33Å; L176-Y180 PolarHBondContact O-N 2.95Å
177L93.7Very high93.9Very high19 Ų1972.6 Ų72.610%0.09933%0.326CS..Hα-helixtrans-67.4-42177.1-70.7177000110.9I107 V134 R173 Q174 D179 Y180 E181I107-L177 HydrophobicContact CB-CD2 4.06Å; I107-L177 HydrophobicContact CG1-CD2 4.03Å; I107-L177 HydrophobicContact CG2-CD2 3.89Å; V134-L177 HydrophobicContact CG1-CD2 3.88Å; V134-L177 HydrophobicContact CG1-CG 4.27Å; R173-L177 HydrophobicContact CG-CD1 4.01Å; R173-L177 HydrophobicContact CG-CG 4.42Å; R173-L177 WeakPolarHBondContact O-CG 3.24Å; R173-L177 PolarHBondContact O-N 2.81Å; Q174-L177 PolarHBondContact O-N 2.54Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.08Å; L177-Y180 PolarHBondContact O-N 3.14Å; L177-E181 WeakPolarHBondContact O-CB 3.33Å; L177-E181 WeakPolarHBondContact O-CG 3.43Å; L177-E181 PolarHBondContact O-N 3.38Å
178M91Very high94.1Very high102 Ų10264.5 Ų64.550%0.50230%0.296SS..Hα-helixtrans-60.2-43.1175.6-174.7-175.572.900111.5Q174 E175 S182 Q524Q174-M178 VanDerWaalsContact O-CB 3.22Å; Q174-M178 WeakPolarHBondContact O-CB 3.13Å; Q174-M178 PolarHBondContact O-N 2.79Å; E175-M178 PolarHBondContact O-N 2.82Å; M178-S182 PolarHBondContact O-N 2.87Å; M178-S182 VanDerWaalsContact O-N 3.07Å; M178-S182 PolarHBondContact O-OG 2.95Å; M178-Q524 PolarHBondContact O-NE2 3.21Å
179D93.1Very high94.4Very high104 Ų10457.5 Ų57.556%0.55627%0.266SS*.Hα-helixtrans-65.3-43176.5-72.6-11.5000111.6E175 L176 L177 S182E175-D179 VanDerWaalsContact O-CG 3.3Å; E175-D179 PolarHBondContact O-N 2.88Å; L176-D179 PolarHBondContact O-N 2.97Å; L177-D179 VanDerWaalsContact C-N 3.33Å; L177-D179 PolarHBondContact O-N 3.08Å; D179-S182 WeakPolarHBondContact CA-OG 3.09Å; D179-S182 WeakPolarHBondContact O-CB 3.25Å; D179-S182 PolarHBondContact O-N 3.21Å; D179-S182 PolarHBondContact O-OG 3.29Å
180Y94.6Very high94.7Very high24 Ų2456.1 Ų56.19%0.09426%0.261CS..Hα-helixtrans-64.8-39178.1179.8-119.6000112.9P104 I105 I107 L127 V128 P129 L176 L177 S182P104-Y180 HydrophobicContact CB-CD1 4.21Å; P104-Y180 HydrophobicContact CB-CD2 4.44Å; P104-Y180 HydrophobicContact CB-CE1 3.62Å; P104-Y180 HydrophobicContact CB-CE2 3.88Å; P104-Y180 VanDerWaalsContact CB-CZ 3.42Å; P104-Y180 HydrophobicContact CG-CE1 4.35Å; I105-Y180 PolarHBondContact N-OH 2.74Å; I105-Y180 VanDerWaalsContact O-CE1 3.28Å; I105-Y180 WeakPolarHBondContact O-CE1 3.37Å; I105-Y180 PolarHBondContact O-OH 3.3Å; I107-Y180 HydrophobicContact CD1-CE1 4.45Å; L127-Y180 VanDerWaalsContact O-CD2 3.31Å; L127-Y180 WeakPolarHBondContact O-CD2 3.24Å; V128-Y180 HydrophobicContact CB-CE2 4.38Å; V128-Y180 HydrophobicContact CG2-CE2 3.92Å; P129-Y180 HydrophobicContact CG-CG 4.11Å; L176-Y180 WeakPolarHBondContact O-CB 3.33Å; L176-Y180 PolarHBondContact O-N 2.95Å; L177-Y180 PolarHBondContact O-N 3.14Å; Y180-S182 VanDerWaalsContact C-N 3.31Å
181E92.3Very high94.9Very high66 Ų6653.8 Ų53.831%0.30825%0.248SC..THydrogen-bonded Turntrans-90.97.4-178.5-64.4171.9165.800112.9P104 L177 F183P104-E181 HydrophobicContact CG-CG 4.35Å; L177-E181 WeakPolarHBondContact O-CB 3.33Å; L177-E181 WeakPolarHBondContact O-CG 3.43Å; L177-E181 PolarHBondContact O-N 3.38Å; E181-F183 PolarHBondContact O-N 2.83Å
182S92.4Very high95.1Very high17 Ų1746 Ų4612%0.11922%0.219CC..SBendtrans-62.5-28.6-175.3-74.70000114M178 D179 Y180 Q524M178-S182 PolarHBondContact O-N 2.87Å; M178-S182 VanDerWaalsContact O-N 3.07Å; M178-S182 PolarHBondContact O-OG 2.95Å; D179-S182 WeakPolarHBondContact CA-OG 3.09Å; D179-S182 WeakPolarHBondContact O-CB 3.25Å; D179-S182 PolarHBondContact O-N 3.21Å; D179-S182 PolarHBondContact O-OG 3.29Å; Y180-S182 VanDerWaalsContact C-N 3.31Å; S182-Q524 VanDerWaalsContact CA-CD 3.49Å; S182-Q524 VanDerWaalsContact CA-OE1 3.3Å; S182-Q524 PolarHBondContact O-OE1 2.95Å; S182-Q524 PolarHBondContact OG-NE2 3.11Å
183F94.6Very high95.3Very high72 Ų7241.6 Ų41.632%0.31620%0.201SC..  trans-135.1142.2-177-64.3-80.1000111.4P104 E181 R519 L521P104-F183 WeakPolarHBondContact CD-O 3.48Å; E181-F183 PolarHBondContact O-N 2.83Å; F183-R519 HydrophobicContact CB-CB 3.94Å; F183-R519 HydrophobicContact CB-CG 4.45Å; F183-R519 HydrophobicContact CD1-CB 4Å; F183-R519 HydrophobicContact CG-CB 4.13Å; F183-L521 HydrophobicContact CD1-CB 4.13Å; F183-L521 HydrophobicContact CE1-CB 4.01Å
184S95.4Very high95.5Very high15 Ų1538.2 Ų38.211%0.10519%0.188CC..BIsolated β-bridgetrans-100.4139.5167.356.30000110.5R103 N520 T544R103-S184 VanDerWaalsContact O-CA 3.3Å; R103-S184 WeakPolarHBondContact O-CA 3.47Å; S184-N520 PolarHBondContact N-O 3.39Å; S184-N520 PolarHBondContact O-N 3.2Å; S184-N520 PolarHBondContact OG-O 2.87Å; S184-T544 VanDerWaalsContact CB-OG1 3.31Å; S184-T544 WeakPolarHBondContact CB-OG1 3.37Å
185Y95.9Very high95.7Very high54 Ų5432.1 Ų32.121%0.21216%0.16CC..EExtended strand (participates in β ladder)trans-155.7-178.7179.562.4-79.8000110.2R103 R519R103-Y185 WeakPolarHBondContact CA-O 3.32Å; R103-Y185 HydrophobicContact CB-CD1 3.81Å; R103-Y185 HydrophobicContact CB-CD2 3.72Å; R103-Y185 HydrophobicContact CB-CE1 3.56Å; R103-Y185 HydrophobicContact CB-CE2 3.47Å; R103-Y185 VanDerWaalsContact CB-CE2 3.47Å; R103-Y185 HydrophobicContact CB-CG 3.88Å; R103-Y185 HydrophobicContact CG-CD2 4.12Å; R103-Y185 HydrophobicContact CG-CE2 3.68Å; R103-Y185 PolarHBondContact N-O 2.81Å; R103-Y185 PolarHBondContact O-N 3Å; Y185-R519 HydrophobicContact CD1-CG 4.34Å; Y185-R519 HydrophobicContact CG-CG 4.24Å
186H96.1Very high95.9Very high32 Ų3228.4 Ų28.415%0.14814%0.142CC..EExtended strand (participates in β ladder)trans-122.8141.9178.8-60.881.1000110S101 H102 A224 I225 H229S101-H186 CarbonylContact O-C 3.57Å; S101-H186 VanDerWaalsContact O-CA 3.3Å; S101-H186 WeakPolarHBondContact O-CA 3.36Å; H102-H186 AromaticContact CD2-NE2 3.45Å; H102-H186 PolarHBondContact CD2-NE2 2.74Å; H102-H186 AromaticContact NE2-NE2 3.77Å; H186-A224 PolarHBondContact ND1-O 3.12Å; H186-A224 VanDerWaalsContact ND1-O 3.09Å; H186-I225 HydrophobicContact CB-CG2 3.98Å; H186-H229 PolarHBondContact O-CE1 3.34Å
187S95.9Very high96.1Very high19 Ų1926.1 Ų26.113%0.13313%0.13CC..  trans-83.5-172.2164.168.10000110.3S101 R103 Q219S101-S187 WeakPolarHBondContact CA-OG 3.47Å; S101-S187 PolarHBondContact O-N 3.47Å; S101-S187 PolarHBondContact O-OG 3.42Å; R103-S187 PolarHBondContact NH2-OG 3.11Å; S187-Q219 PolarHBondContact O-NE2 3.14Å; S187-Q219 PolarHBondContact O-OE1 2.92Å
188V96.9Very high96.3Very high10 Ų1025.2 Ų25.26%0.06113%0.126CC..SBendtrans-46142.4165.1700000111.6S101 L121 V192 V193 Q233S101-V188 WeakPolarHBondContact CB-O 3.4Å; L121-V188 HydrophobicContact CB-CG1 3.99Å; V188-V192 HydrophobicContact CG2-CB 3.75Å; V188-V192 HydrophobicContact CG2-CG1 3.79Å; V188-V192 HydrophobicContact CG2-CG2 4.07Å; V188-V193 HydrophobicContact CG1-CG2 4.14Å; V188-Q233 HydrophobicContact CG2-CG 4.45Å
189A98.5Very high96.6Very high0 Ų025.1 Ų25.10%012%0.12CC..  trans-59.9143.9-178.300000112.3S191 V192 V193 Q216 Q219A189-S191 PolarHBondContact O-N 2.86Å; A189-V192 HydrophobicContact CB-CG2 4.15Å; A189-V192 WeakPolarHBondContact O-CB 3.41Å; A189-V192 PolarHBondContact O-N 3.37Å; A189-V193 PolarHBondContact O-N 2.69Å; A189-Q216 HydrophobicContact CB-CB 4.25Å; A189-Q219 HydrophobicContact CB-CG 4.45Å
190S98.7Very high96.8Very high1 Ų123.2 Ų23.21%0.00711%0.107CC..Hα-helixtrans-62-28.9-179.1-65.80000111.9D29 T33 N77 C99 D100 V192 V193 M194D29-S190 PolarHBondContact OD1-N 3.48Å; D29-S190 PolarHBondContact OD2-N 2.92Å; T33-S190 VanDerWaalsContact OG1-CB 3.23Å; T33-S190 WeakPolarHBondContact OG1-CB 3.5Å; N77-S190 VanDerWaalsContact OD1-CB 3.22Å; N77-S190 WeakPolarHBondContact OD1-CB 3.41Å; N77-S190 PolarHBondContact OD1-OG 3.41Å; C99-S190 PolarHBondContact O-OG 2.95Å; D100-S190 WeakPolarHBondContact CA-OG 3.31Å; S190-V192 VanDerWaalsContact C-N 3.28Å; S190-V192 PolarHBondContact O-N 3.21Å; S190-V193 WeakPolarHBondContact O-CB 3.28Å; S190-V193 PolarHBondContact O-N 3.12Å; S190-M194 PolarHBondContact O-N 3.47Å
191S98.8Very high96.9Very high0 Ų023.9 Ų23.90%011%0.111CC..Hα-helixtrans-65.4-32.9176.668.60000112.2D29 T33 A189 F195 Y211 A212 G215D29-S191 VanDerWaalsContact OD1-CB 3.23Å; D29-S191 WeakPolarHBondContact OD1-CB 3.36Å; D29-S191 PolarHBondContact OD1-N 3.43Å; D29-S191 PolarHBondContact OD1-OG 2.94Å; T33-S191 VanDerWaalsContact OG1-CA 3.31Å; T33-S191 WeakPolarHBondContact OG1-CA 3.31Å; T33-S191 PolarHBondContact OG1-N 2.83Å; A189-S191 PolarHBondContact O-N 2.86Å; S191-F195 WeakPolarHBondContact O-CB 3.42Å; S191-F195 PolarHBondContact O-N 2.91Å; S191-Y211 PolarHBondContact OG-O 3.07Å; S191-A212 WeakPolarHBondContact OG-CA 3.5Å; S191-A212 PolarHBondContact OG-O 3Å; S191-G215 WeakPolarHBondContact OG-CA 3.41Å
192V98.6Very high97.1Very high1 Ų125.8 Ų25.81%0.00613%0.132CC..Hα-helixtrans-71.3-40.4175.4-176.90000110.2L121 V188 A189 S190 M194 F195 D196 A212 Q216 Y236 L237L121-V192 HydrophobicContact CD2-CG1 4.12Å; V188-V192 HydrophobicContact CG2-CB 3.75Å; V188-V192 HydrophobicContact CG2-CG1 3.79Å; V188-V192 HydrophobicContact CG2-CG2 4.07Å; A189-V192 HydrophobicContact CB-CG2 4.15Å; A189-V192 WeakPolarHBondContact O-CB 3.41Å; A189-V192 PolarHBondContact O-N 3.37Å; S190-V192 VanDerWaalsContact C-N 3.28Å; S190-V192 PolarHBondContact O-N 3.21Å; V192-M194 VanDerWaalsContact C-N 3.34Å; V192-M194 PolarHBondContact O-N 3.34Å; V192-F195 PolarHBondContact O-N 2.76Å; V192-D196 WeakPolarHBondContact O-CB 3.41Å; V192-D196 PolarHBondContact O-N 3.24Å; V192-A212 HydrophobicContact CG2-CB 4.29Å; V192-Q216 HydrophobicContact CG2-CB 3.99Å; V192-Y236 HydrophobicContact CG1-CD1 3.96Å; V192-Y236 HydrophobicContact CG1-CE1 3.72Å; V192-L237 HydrophobicContact CG1-CD2 4.42Å; V192-L237 HydrophobicContact CG2-CD2 4.33Å
193V98.4Very high97.3Very high6 Ų626.8 Ų26.84%0.03614%0.135CC..Hα-helixtrans-59.5-44.8174-177.40000111.1L119 L121 V188 A189 S190 D196 L197L119-V193 HydrophobicContact CB-CG1 4.42Å; L121-V193 HydrophobicContact CB-CG2 3.93Å; V188-V193 HydrophobicContact CG1-CG2 4.14Å; A189-V193 PolarHBondContact O-N 2.69Å; S190-V193 WeakPolarHBondContact O-CB 3.28Å; S190-V193 PolarHBondContact O-N 3.12Å; V193-D196 WeakPolarHBondContact O-CB 3.31Å; V193-D196 PolarHBondContact O-N 3.47Å; V193-L197 PolarHBondContact O-N 2.76Å; V193-L197 VanDerWaalsContact O-N 3.12Å
194M98.6Very high97.3Very high2 Ų224.8 Ų24.81%0.0113%0.127CC..Hα-helixtrans-71.7-31.2177.8-71.3-61.8155.800113.1F11 T33 V36 L37 C99 L119 S190 V192 L197 A198F11-M194 HydrophobicContact CE1-CE 3.92Å; F11-M194 HydrophobicContact CE1-SD 4.05Å; F11-M194 HydrophobicContact CZ-CE 4.26Å; T33-M194 HydrophobicContact CG2-CB 4.22Å; T33-M194 HydrophobicContact CG2-CG 3.43Å; T33-M194 VanDerWaalsContact CG2-CG 3.43Å; V36-M194 HydrophobicContact CB-CB 4Å; V36-M194 HydrophobicContact CG1-CB 3.85Å; V36-M194 WeakPolarHBondContact CG1-O 3.46Å; L37-M194 HydrophobicContact CD1-SD 4.13Å; C99-M194 HydrophobicContact CB-CE 3.56Å; C99-M194 WeakPolarHBondContact SG-CE 3.42Å; L119-M194 HydrophobicContact CD1-CE 3.55Å; S190-M194 PolarHBondContact O-N 3.47Å; V192-M194 VanDerWaalsContact C-N 3.34Å; V192-M194 PolarHBondContact O-N 3.34Å; M194-L197 WeakPolarHBondContact O-CB 3.31Å; M194-L197 PolarHBondContact O-N 3.33Å; M194-L197 HydrophobicContact SD-CD2 4.15Å; M194-A198 PolarHBondContact O-N 2.99Å
195F98.6Very high97.2Very high0 Ų026.8 Ų26.80%014%0.136CC..Hα-helixtrans-68.1-38.8171.9175-98.3000112.2S191 V192 L197 A198 W199 E204 L208 L209 A212 Y236 H240S191-F195 WeakPolarHBondContact O-CB 3.42Å; S191-F195 PolarHBondContact O-N 2.91Å; V192-F195 PolarHBondContact O-N 2.76Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 2.72Å; F195-A198 WeakPolarHBondContact O-CB 3.37Å; F195-A198 PolarHBondContact O-N 3.47Å; F195-A198 VanDerWaalsContact O-N 3.09Å; F195-W199 PolarHBondContact O-N 3.08Å; F195-E204 HydrophobicContact CE2-CB 3.85Å; F195-E204 HydrophobicContact CZ-CB 4.19Å; F195-L208 HydrophobicContact CD2-CB 3.96Å; F195-L208 HydrophobicContact CE2-CB 4.28Å; F195-L209 HydrophobicContact CD1-CD1 4.46Å; F195-L209 HydrophobicContact CD2-CB 4.32Å; F195-L209 HydrophobicContact CE1-CD1 3.83Å; F195-L209 HydrophobicContact CE2-CB 3.56Å; F195-L209 HydrophobicContact CE2-CD1 4.18Å; F195-L209 HydrophobicContact CE2-CG 4.44Å; F195-L209 HydrophobicContact CZ-CB 3.8Å; F195-L209 HydrophobicContact CZ-CD1 3.67Å; F195-L209 HydrophobicContact CZ-CG 4.24Å; F195-A212 HydrophobicContact CB-CB 3.61Å; F195-A212 HydrophobicContact CD1-CB 4.27Å; F195-A212 HydrophobicContact CD2-CB 4.4Å; F195-A212 HydrophobicContact CG-CB 3.84Å; F195-Y236 HydrophobicContact CD1-CE1 4.42Å; F195-H240 HydrophobicContact CE1-CB 3.91Å; F195-H240 AromaticContact CE1-CE1 3.92Å; F195-H240 AromaticContact CE1-CG 3.61Å; F195-H240 AromaticContact CE1-ND1 3.36Å; F195-H240 WeakPolarHBondContact CE1-ND1 3.44Å; F195-H240 HydrophobicContact CZ-CB 4.04Å; F195-H240 AromaticContact CZ-ND1 3.67Å
196D98.1Very high97.2Very high5 Ų525.9 Ų25.93%0.02714%0.135CC..Hα-helixtrans-58.8-41.6172.2-177.572.8000111L121 V192 V193 W199 K200 Y236L121-D196 HydrophobicContact CD1-CB 4.48Å; L121-D196 HydrophobicContact CD2-CB 4.45Å; V192-D196 WeakPolarHBondContact O-CB 3.41Å; V192-D196 PolarHBondContact O-N 3.24Å; V193-D196 WeakPolarHBondContact O-CB 3.31Å; V193-D196 PolarHBondContact O-N 3.47Å; D196-W199 PolarHBondContact O-N 2.97Å; D196-K200 WeakPolarHBondContact O-CB 3.33Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.15Å; D196-K200 PolarHBondContact O-N 3.39Å; D196-K200 WeakPolarHBondContact OD2-CD 3.35Å; D196-K200 WeakPolarHBondContact OD2-CE 3.36Å; D196-K200 IonicContact OD2-NZ 3.21Å; D196-K200 PolarHBondContact OD2-NZ 3.37Å; D196-Y236 WeakPolarHBondContact CB-OH 3Å; D196-Y236 PolarHBondContact OD1-OH 3.29Å
197L98.4Very high97.1Very high0 Ų026.1 Ų26.10%014%0.14CC..Hα-helixtrans-58.6-48.6170.5175.562000111.8I7 R8 F11 Y12 L40 V193 M194 F195 W199 K200 L201I7-L197 HydrophobicContact CD1-CB 3.71Å; I7-L197 HydrophobicContact CD1-CD1 4.29Å; I7-L197 HydrophobicContact CG1-CB 4.35Å; I7-L197 HydrophobicContact CG1-CD1 3.97Å; R8-L197 HydrophobicContact CG-CD1 4.03Å; F11-L197 HydrophobicContact CD1-CD2 3.88Å; F11-L197 HydrophobicContact CE1-CD2 3.71Å; Y12-L197 HydrophobicContact CD2-CD2 4.38Å; Y12-L197 HydrophobicContact CG-CD2 4.44Å; L40-L197 HydrophobicContact CD1-CD2 3.77Å; L40-L197 HydrophobicContact CD1-CG 3.93Å; V193-L197 PolarHBondContact O-N 2.76Å; V193-L197 VanDerWaalsContact O-N 3.12Å; M194-L197 WeakPolarHBondContact O-CB 3.31Å; M194-L197 PolarHBondContact O-N 3.33Å; M194-L197 HydrophobicContact SD-CD2 4.15Å; F195-L197 VanDerWaalsContact C-N 3.28Å; F195-L197 PolarHBondContact O-N 2.72Å; L197-W199 VanDerWaalsContact C-N 3.26Å; L197-W199 PolarHBondContact O-N 2.97Å; L197-K200 PolarHBondContact O-N 3.46Å; L197-L201 HydrophobicContact CD1-CD1 3.81Å; L197-L201 HydrophobicContact CD1-CG 4.03Å; L197-L201 HydrophobicContact CG-CD1 3.87Å; L197-L201 HydrophobicContact CG-CG 4.47Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 3.35Å
198A98.3Very high97.2Very high0 Ų025.4 Ų25.40%013%0.134CC..Hα-helixtrans-57-42.3178.400000111.6V36 L40 M194 F195 L201 S202 Q203 E204 L208V36-A198 HydrophobicContact CG1-CB 4.24Å; L40-A198 HydrophobicContact CD1-CB 4.34Å; L40-A198 HydrophobicContact CD2-CB 3.84Å; M194-A198 PolarHBondContact O-N 2.99Å; F195-A198 WeakPolarHBondContact O-CB 3.37Å; F195-A198 PolarHBondContact O-N 3.47Å; F195-A198 VanDerWaalsContact O-N 3.09Å; A198-L201 CarbonylContact O-C 3.57Å; A198-L201 PolarHBondContact O-N 3.2Å; A198-S202 PolarHBondContact O-N 3Å; A198-Q203 PolarHBondContact O-N 3.35Å; A198-E204 HydrophobicContact CB-CB 4.4Å; A198-E204 PolarHBondContact O-N 3.38Å; A198-L208 HydrophobicContact CB-CD1 3.89Å
199W97.5Very high97.3Very high100 Ų10024.9 Ų24.938%0.37913%0.131SC..Hα-helixtrans-65.6-46.4175.8167.656.2000112.9F195 D196 L197 L201 S202 E204 H240F195-W199 PolarHBondContact O-N 3.08Å; D196-W199 PolarHBondContact O-N 2.97Å; L197-W199 VanDerWaalsContact C-N 3.26Å; L197-W199 PolarHBondContact O-N 2.97Å; W199-L201 PolarHBondContact O-N 3.19Å; W199-S202 WeakPolarHBondContact O-CA 3.33Å; W199-S202 PolarHBondContact O-N 3.33Å; W199-E204 WeakPolarHBondContact CA-OE2 3.41Å; W199-E204 HydrophobicContact CB-CB 4.14Å; W199-E204 HydrophobicContact CB-CG 4.12Å; W199-H240 AromaticContact CD1-CE1 3.89Å; W199-H240 AromaticContact CD2-CE1 3.47Å; W199-H240 VanDerWaalsContact CD2-CE1 3.47Å; W199-H240 AromaticContact CE2-CE1 3.87Å; W199-H240 AromaticContact CE3-CE1 3.88Å; W199-H240 AromaticContact CG-CE1 3.47Å; W199-H240 VanDerWaalsContact CG-CE1 3.47Å
200K97.1Very high97.3Very high64 Ų6424.9 Ų24.928%0.27813%0.131SC..Hα-helixtrans-60-27.7176.7-74.8174.21711610112.2I7 R8 D196 L197I7-K200 HydrophobicContact CG1-CD 4.35Å; R8-K200 VanDerWaalsContact CD-O 3.28Å; R8-K200 WeakPolarHBondContact CD-O 3.36Å; R8-K200 HydrophobicContact CG-CB 3.71Å; R8-K200 PolarHBondContact NH1-O 2.8Å; D196-K200 WeakPolarHBondContact O-CB 3.33Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.15Å; D196-K200 PolarHBondContact O-N 3.39Å; D196-K200 WeakPolarHBondContact OD2-CD 3.35Å; D196-K200 WeakPolarHBondContact OD2-CE 3.36Å; D196-K200 IonicContact OD2-NZ 3.21Å; D196-K200 PolarHBondContact OD2-NZ 3.37Å; L197-K200 PolarHBondContact O-N 3.46Å
201L97.3Very high97.3Very high37 Ų3725 Ų2519%0.19413%0.132CC..THydrogen-bonded Turntrans-85.9-3.3173.9-65.7171.3000114R8 Y12 L40 L197 A198 W199 Q203R8-L201 HydrophobicContact CB-CD2 4.26Å; R8-L201 HydrophobicContact CG-CD2 3.97Å; R8-L201 HydrophobicContact CG-CG 4.3Å; Y12-L201 HydrophobicContact CD1-CD1 3.46Å; Y12-L201 VanDerWaalsContact CD1-CD1 3.46Å; Y12-L201 HydrophobicContact CD1-CD2 3.8Å; Y12-L201 HydrophobicContact CD1-CG 4.28Å; Y12-L201 HydrophobicContact CE1-CD1 3.5Å; Y12-L201 HydrophobicContact CE1-CD2 4.16Å; Y12-L201 HydrophobicContact CE1-CG 4.49Å; Y12-L201 HydrophobicContact CG-CD1 3.99Å; L40-L201 HydrophobicContact CD1-CD1 4.31Å; L40-L201 HydrophobicContact CD2-CD1 4.22Å; L197-L201 HydrophobicContact CD1-CD1 3.81Å; L197-L201 HydrophobicContact CD1-CG 4.03Å; L197-L201 HydrophobicContact CG-CD1 3.87Å; L197-L201 HydrophobicContact CG-CG 4.47Å; L197-L201 WeakPolarHBondContact O-CB 3.32Å; L197-L201 VanDerWaalsContact O-CG 3.26Å; L197-L201 WeakPolarHBondContact O-CG 3.42Å; L197-L201 PolarHBondContact O-N 3.35Å; A198-L201 CarbonylContact O-C 3.57Å; A198-L201 PolarHBondContact O-N 3.2Å; W199-L201 PolarHBondContact O-N 3.19Å; L201-Q203 HydrophobicContact CB-CB 4.43Å; L201-Q203 HydrophobicContact CB-CG 4.1Å; L201-Q203 PolarHBondContact O-N 3.48Å
202S95.8Very high97.3Very high106 Ų10625 Ų2574%0.74113%0.132SC*.THydrogen-bonded Turntrans57.835.2-172.9-52.10000113.4A198 W199 E204A198-S202 PolarHBondContact O-N 3Å; W199-S202 WeakPolarHBondContact O-CA 3.33Å; W199-S202 PolarHBondContact O-N 3.33Å; S202-E204 VanDerWaalsContact C-OE2 3.28Å; S202-E204 VanDerWaalsContact CA-OE2 3.26Å; S202-E204 WeakPolarHBondContact CA-OE2 3.34Å
203Q95.8Very high97.3Very high38 Ų3825 Ų2518%0.17813%0.132CC..  trans-1144.9179.5-65.2-174.7-10.700112.3L40 A198 L201L40-Q203 HydrophobicContact CD2-CB 3.98Å; A198-Q203 PolarHBondContact O-N 3.35Å; L201-Q203 HydrophobicContact CB-CB 4.43Å; L201-Q203 HydrophobicContact CB-CG 4.1Å; L201-Q203 PolarHBondContact O-N 3.48Å
204E95.2Very high97.3Very high31 Ų3124.7 Ų24.715%0.14513%0.13CC..  trans-70.9149.3-179.280.5-66.8-176.800112.7F195 A198 W199 S202 R243 L244F195-E204 HydrophobicContact CE2-CB 3.85Å; F195-E204 HydrophobicContact CZ-CB 4.19Å; A198-E204 HydrophobicContact CB-CB 4.4Å; A198-E204 PolarHBondContact O-N 3.38Å; W199-E204 WeakPolarHBondContact CA-OE2 3.41Å; W199-E204 HydrophobicContact CB-CB 4.14Å; W199-E204 HydrophobicContact CB-CG 4.12Å; S202-E204 VanDerWaalsContact C-OE2 3.28Å; S202-E204 VanDerWaalsContact CA-OE2 3.26Å; S202-E204 WeakPolarHBondContact CA-OE2 3.34Å; E204-R243 VanDerWaalsContact CG-NH2 3.32Å; E204-R243 IonicContact OE1-CZ 2.68Å; E204-R243 IonicContact OE1-NH1 3.72Å; E204-R243 PolarHBondContact OE1-NH1 2.84Å; E204-R243 IonicContact OE1-NH2 3.14Å; E204-R243 PolarHBondContact OE1-NH2 3.22Å; E204-L244 HydrophobicContact CG-CD1 4.49Å; E204-L244 HydrophobicContact CG-CD2 4.19Å
205N93.8Very high97.3Very high56 Ų5624.6 Ų24.630%0.29913%0.129SC..  trans-157.4172.617758.864.4000109.4C207 L208 L209N205-C207 PolarHBondContact O-N 3.4Å; N205-C207 WeakPolarHBondContact OD1-CA 3.47Å; N205-C207 VanDerWaalsContact OD1-CB 3.24Å; N205-C207 WeakPolarHBondContact OD1-CB 3.48Å; N205-C207 PolarHBondContact OD1-N 2.87Å; N205-L208 PolarHBondContact O-N 3.33Å; N205-L208 VanDerWaalsContact O-N 3.13Å; N205-L208 PolarHBondContact OD1-N 2.67Å; N205-L209 PolarHBondContact O-N 3.21Å
206N94.8Very high97.3Very high35 Ų3524.6 Ų24.619%0.18713%0.129CC..Hα-helixtrans-60.4-30.2-177.8-73.8-28.6000113.4W210 L244 V264 I266N206-W210 WeakPolarHBondContact O-CB 3.26Å; N206-W210 PolarHBondContact O-N 3.38Å; N206-L244 WeakPolarHBondContact OD1-CB 3.46Å; N206-V264 HydrophobicContact CB-CB 4.15Å; N206-V264 HydrophobicContact CB-CG1 4.02Å; N206-V264 VanDerWaalsContact CB-O 3.3Å; N206-V264 WeakPolarHBondContact CB-O 3.3Å; N206-V264 PolarHBondContact ND2-O 3.44Å; N206-I266 HydrophobicContact CB-CD1 4.36Å; N206-I266 WeakPolarHBondContact O-CD1 3.36Å
207C95.3Very high97.3Very high38 Ų3824.4 Ų24.426%0.25713%0.128SC..Hα-helixtrans-67.5-43.6176.5-60.30000111.2N205 W210 Y211 W404N205-C207 PolarHBondContact O-N 3.4Å; N205-C207 WeakPolarHBondContact OD1-CA 3.47Å; N205-C207 VanDerWaalsContact OD1-CB 3.24Å; N205-C207 WeakPolarHBondContact OD1-CB 3.48Å; N205-C207 PolarHBondContact OD1-N 2.87Å; C207-W210 WeakPolarHBondContact O-CB 3.49Å; C207-W210 PolarHBondContact O-N 3.21Å; C207-Y211 WeakPolarHBondContact O-CD2 3.21Å; C207-Y211 WeakPolarHBondContact O-CE2 3.39Å; C207-Y211 PolarHBondContact O-N 2.86Å; C207-W404 HydrophobicContact CB-CH2 4.15Å; C207-W404 HydrophobicContact CB-CZ2 3.72Å; C207-W404 VanDerWaalsContact SG-CZ2 3.57Å
208L97.5Very high97.3Very high3 Ų324.6 Ų24.62%0.01613%0.13CC..Hα-helixtrans-69-38.5177.9-59.5-171.7000111.7V36 E39 F195 A198 N205 W210 Y211 A212V36-L208 HydrophobicContact CB-CD2 4.49Å; V36-L208 HydrophobicContact CG1-CD1 4.46Å; V36-L208 HydrophobicContact CG1-CD2 4.45Å; V36-L208 HydrophobicContact CG2-CB 4.49Å; V36-L208 HydrophobicContact CG2-CD2 4.32Å; E39-L208 HydrophobicContact CB-CD2 4.1Å; E39-L208 HydrophobicContact CG-CD2 4.5Å; F195-L208 HydrophobicContact CD2-CB 3.96Å; F195-L208 HydrophobicContact CE2-CB 4.28Å; A198-L208 HydrophobicContact CB-CD1 3.89Å; N205-L208 PolarHBondContact O-N 3.33Å; N205-L208 VanDerWaalsContact O-N 3.13Å; N205-L208 PolarHBondContact OD1-N 2.67Å; L208-W210 VanDerWaalsContact C-N 3.31Å; L208-W210 PolarHBondContact O-N 3.08Å; L208-Y211 HydrophobicContact CD2-CD2 4.15Å; L208-Y211 HydrophobicContact CD2-CE2 4.35Å; L208-Y211 PolarHBondContact O-N 3.15Å; L208-A212 PolarHBondContact O-N 3.1Å; L208-A212 VanDerWaalsContact O-N 3.15Å
209L98Very high97.3Very high0 Ų024.9 Ų24.90%013%0.131CC..Hα-helixtrans-61.4-41.1174.1176.659.7000111.2F195 N205 Y211 A212 I213 L237 H240 M241 L244 I266F195-L209 HydrophobicContact CD1-CD1 4.46Å; F195-L209 HydrophobicContact CD2-CB 4.32Å; F195-L209 HydrophobicContact CE1-CD1 3.83Å; F195-L209 HydrophobicContact CE2-CB 3.56Å; F195-L209 HydrophobicContact CE2-CD1 4.18Å; F195-L209 HydrophobicContact CE2-CG 4.44Å; F195-L209 HydrophobicContact CZ-CB 3.8Å; F195-L209 HydrophobicContact CZ-CD1 3.67Å; F195-L209 HydrophobicContact CZ-CG 4.24Å; N205-L209 PolarHBondContact O-N 3.21Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 3.38Å; L209-A212 WeakPolarHBondContact O-CB 3.47Å; L209-A212 PolarHBondContact O-N 3.09Å; L209-A212 VanDerWaalsContact O-N 3.16Å; L209-I213 HydrophobicContact CD1-CD1 4.07Å; L209-I213 HydrophobicContact CD1-CG1 4.24Å; L209-I213 HydrophobicContact CD2-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 3.78Å; L209-I213 HydrophobicContact CG-CG1 4.42Å; L209-I213 WeakPolarHBondContact O-CG1 3.4Å; L209-I213 PolarHBondContact O-N 3.43Å; L209-L237 HydrophobicContact CD1-CD2 4.07Å; L209-H240 HydrophobicContact CD1-CB 4.09Å; L209-H240 HydrophobicContact CD2-CB 4.39Å; L209-M241 VanDerWaalsContact CD2-CA 3.48Å; L209-M241 HydrophobicContact CD2-CB 3.86Å; L209-L244 HydrophobicContact CB-CD1 4.18Å; L209-L244 HydrophobicContact CD2-CD1 3.98Å; L209-I266 HydrophobicContact CB-CD1 4.39Å; L209-I266 HydrophobicContact CD2-CD1 4.21Å; L209-I266 HydrophobicContact CG-CD1 4.19Å
210W98.1Very high97.4Very high0 Ų021.1 Ų21.10%012%0.118CC..Hα-helixtrans-58.2-42.2175.6179.7-106.1000112.6N206 C207 L208 A212 I213 V214 I266 V361 M369 A371 A374 V401 W404N206-W210 WeakPolarHBondContact O-CB 3.26Å; N206-W210 PolarHBondContact O-N 3.38Å; C207-W210 WeakPolarHBondContact O-CB 3.49Å; C207-W210 PolarHBondContact O-N 3.21Å; L208-W210 VanDerWaalsContact C-N 3.31Å; L208-W210 PolarHBondContact O-N 3.08Å; W210-A212 VanDerWaalsContact C-N 3.34Å; W210-A212 PolarHBondContact O-N 3.31Å; W210-I213 HydrophobicContact CE3-CG2 4.46Å; W210-I213 WeakPolarHBondContact O-CB 3.39Å; W210-I213 PolarHBondContact O-N 2.99Å; W210-V214 HydrophobicContact CD2-CG2 3.95Å; W210-V214 VanDerWaalsContact CE2-CG2 3.49Å; W210-V214 HydrophobicContact CG-CG2 4.36Å; W210-V214 HydrophobicContact CH2-CG2 4.34Å; W210-V214 HydrophobicContact CZ2-CG2 3.74Å; W210-V214 WeakPolarHBondContact O-CG2 3.45Å; W210-V214 PolarHBondContact O-N 3.39Å; W210-I266 HydrophobicContact CB-CD1 4.03Å; W210-I266 HydrophobicContact CE3-CD1 4.25Å; W210-I266 HydrophobicContact CE3-CG1 4.34Å; W210-V361 HydrophobicContact CD2-CB 4.17Å; W210-V361 HydrophobicContact CD2-CG1 4.21Å; W210-V361 HydrophobicContact CE3-CB 3.76Å; W210-V361 HydrophobicContact CE3-CG1 4.14Å; W210-V361 HydrophobicContact CH2-CB 3.76Å; W210-V361 HydrophobicContact CH2-CG1 3.38Å; W210-V361 HydrophobicContact CZ2-CB 4.15Å; W210-V361 HydrophobicContact CZ2-CG1 3.43Å; W210-V361 VanDerWaalsContact CZ2-CG1 3.43Å; W210-V361 HydrophobicContact CZ3-CB 3.56Å; W210-V361 HydrophobicContact CZ3-CG1 3.76Å; W210-M369 WeakPolarHBondContact CH2-O 3.42Å; W210-M369 HydrophobicContact CZ2-CG 4.4Å; W210-A371 HydrophobicContact CH2-CB 4.35Å; W210-A371 HydrophobicContact CZ3-CB 4.45Å; W210-A374 HydrophobicContact CH2-CB 4.35Å; W210-A374 HydrophobicContact CZ2-CB 3.59Å; W210-V401 PolarHBondContact NE1-O 2.83Å; W210-V401 VanDerWaalsContact NE1-O 3.12Å; W210-W404 HydrophobicContact CB-CH2 3.94Å; W210-W404 HydrophobicContact CB-CZ3 4.06Å; W210-W404 AromaticContact CD1-CH2 3.49Å; W210-W404 VanDerWaalsContact CD1-CH2 3.49Å; W210-W404 AromaticContact CD1-CZ3 3.34Å; W210-W404 HydrophobicContact CD2-CZ3 4.28Å; W210-W404 AromaticContact CG-CH2 3.85Å; W210-W404 HydrophobicContact CG-CH2 3.85Å; W210-W404 AromaticContact CG-CZ3 3.62Å; W210-W404 HydrophobicContact CG-CZ3 3.62Å; W210-W404 AromaticContact NE1-CZ3 3.77Å
211Y98.6Very high97.4Very high4 Ų418.9 Ų18.92%0.01611%0.109CC..Hα-helixtrans-65.1-38.3176.2-57.9-43.3000112.2C32 R35 V36 S191 C207 L208 L209 G215 V401 A402 W404C32-Y211 WeakPolarHBondContact CB-O 3.15Å; R35-Y211 HydrophobicContact CB-CD1 4.19Å; R35-Y211 HydrophobicContact CB-CD2 3.54Å; R35-Y211 HydrophobicContact CB-CE1 4.34Å; R35-Y211 HydrophobicContact CB-CE2 3.7Å; R35-Y211 HydrophobicContact CB-CG 3.83Å; R35-Y211 HydrophobicContact CG-CD1 4.33Å; R35-Y211 HydrophobicContact CG-CD2 4.43Å; R35-Y211 HydrophobicContact CG-CE1 4.23Å; R35-Y211 HydrophobicContact CG-CE2 4.31Å; R35-Y211 HydrophobicContact CG-CG 4.46Å; R35-Y211 PolarHBondContact NE-OH 3.08Å; R35-Y211 PolarHBondContact NH2-OH 3.26Å; V36-Y211 HydrophobicContact CG2-CD2 4.24Å; S191-Y211 PolarHBondContact OG-O 3.07Å; C207-Y211 WeakPolarHBondContact O-CD2 3.21Å; C207-Y211 WeakPolarHBondContact O-CE2 3.39Å; C207-Y211 PolarHBondContact O-N 2.86Å; L208-Y211 HydrophobicContact CD2-CD2 4.15Å; L208-Y211 HydrophobicContact CD2-CE2 4.35Å; L208-Y211 PolarHBondContact O-N 3.15Å; L209-Y211 VanDerWaalsContact C-N 3.32Å; L209-Y211 PolarHBondContact O-N 3.38Å; Y211-G215 PolarHBondContact O-N 3.17Å; Y211-V401 HydrophobicContact CD1-CG1 4.21Å; Y211-V401 HydrophobicContact CD1-CG2 4.12Å; Y211-V401 HydrophobicContact CE1-CG1 3.87Å; Y211-V401 HydrophobicContact CE1-CG2 4.34Å; Y211-A402 HydrophobicContact CE1-CB 4.49Å; Y211-A402 WeakPolarHBondContact OH-CB 3.18Å; Y211-W404 HydrophobicContact CE1-CH2 4.34Å
212A98.7Very high97.4Very high0 Ų018.2 Ų18.20%011%0.106CC..Hα-helixtrans-59.9-48.217300000111.6S191 V192 F195 L208 L209 W210 G215 Q216 L237S191-A212 WeakPolarHBondContact OG-CA 3.5Å; S191-A212 PolarHBondContact OG-O 3Å; V192-A212 HydrophobicContact CG2-CB 4.29Å; F195-A212 HydrophobicContact CB-CB 3.61Å; F195-A212 HydrophobicContact CD1-CB 4.27Å; F195-A212 HydrophobicContact CD2-CB 4.4Å; F195-A212 HydrophobicContact CG-CB 3.84Å; L208-A212 PolarHBondContact O-N 3.1Å; L208-A212 VanDerWaalsContact O-N 3.15Å; L209-A212 WeakPolarHBondContact O-CB 3.47Å; L209-A212 PolarHBondContact O-N 3.09Å; L209-A212 VanDerWaalsContact O-N 3.16Å; W210-A212 VanDerWaalsContact C-N 3.34Å; W210-A212 PolarHBondContact O-N 3.31Å; A212-G215 PolarHBondContact O-N 2.98Å; A212-Q216 WeakPolarHBondContact O-CB 3.38Å; A212-Q216 PolarHBondContact O-N 3.34Å; A212-L237 HydrophobicContact CB-CD2 4Å
213I98.7Very high97.4Very high0 Ų016.4 Ų16.40%09%0.086CC..Hα-helixtrans-57.7-54.9177.4-74.5164.9000110.9L209 W210 G215 Q216 T217 L237 I266 F359 A371L209-I213 HydrophobicContact CD1-CD1 4.07Å; L209-I213 HydrophobicContact CD1-CG1 4.24Å; L209-I213 HydrophobicContact CD2-CD1 4.41Å; L209-I213 HydrophobicContact CG-CD1 3.78Å; L209-I213 HydrophobicContact CG-CG1 4.42Å; L209-I213 WeakPolarHBondContact O-CG1 3.4Å; L209-I213 PolarHBondContact O-N 3.43Å; W210-I213 HydrophobicContact CE3-CG2 4.46Å; W210-I213 WeakPolarHBondContact O-CB 3.39Å; W210-I213 PolarHBondContact O-N 2.99Å; I213-G215 VanDerWaalsContact C-N 3.33Å; I213-G215 PolarHBondContact O-N 3.22Å; I213-Q216 PolarHBondContact O-N 3.32Å; I213-T217 WeakPolarHBondContact O-CB 3.29Å; I213-T217 PolarHBondContact O-N 3.42Å; I213-T217 PolarHBondContact O-OG1 3.44Å; I213-L237 HydrophobicContact CG1-CB 4.36Å; I213-L237 HydrophobicContact CG1-CD1 4.16Å; I213-L237 HydrophobicContact CG1-CD2 4.34Å; I213-I266 HydrophobicContact CD1-CD1 4.12Å; I213-I266 HydrophobicContact CD1-CG2 4.01Å; I213-F359 HydrophobicContact CB-CD2 4.3Å; I213-F359 HydrophobicContact CD1-CB 4.06Å; I213-F359 HydrophobicContact CD1-CD1 3.64Å; I213-F359 HydrophobicContact CD1-CD2 4.04Å; I213-F359 HydrophobicContact CD1-CE1 4.03Å; I213-F359 HydrophobicContact CD1-CE2 4.38Å; I213-F359 HydrophobicContact CD1-CG 3.65Å; I213-F359 HydrophobicContact CD1-CZ 4.39Å; I213-F359 HydrophobicContact CG1-CD1 4.32Å; I213-F359 HydrophobicContact CG1-CD2 3.86Å; I213-F359 HydrophobicContact CG1-CE1 4.48Å; I213-F359 HydrophobicContact CG1-CE2 4.02Å; I213-F359 HydrophobicContact CG1-CG 4.01Å; I213-F359 HydrophobicContact CG1-CZ 4.35Å; I213-F359 HydrophobicContact CG2-CB 3.64Å; I213-F359 HydrophobicContact CG2-CD2 3.53Å; I213-F359 HydrophobicContact CG2-CE2 4.38Å; I213-F359 HydrophobicContact CG2-CG 3.77Å; I213-A371 HydrophobicContact CG2-CB 3.62Å
214V98.8Very high97.5Very high0 Ų015.4 Ų15.40%09%0.085CC..Hα-helixtrans-63.4-40.2-176.9173.20000111.2V28 W210 T217 S218 A374 V375 V401V28-V214 HydrophobicContact CG1-CG1 3.68Å; W210-V214 HydrophobicContact CD2-CG2 3.95Å; W210-V214 VanDerWaalsContact CE2-CG2 3.49Å; W210-V214 HydrophobicContact CG-CG2 4.36Å; W210-V214 HydrophobicContact CH2-CG2 4.34Å; W210-V214 HydrophobicContact CZ2-CG2 3.74Å; W210-V214 WeakPolarHBondContact O-CG2 3.45Å; W210-V214 PolarHBondContact O-N 3.39Å; V214-T217 PolarHBondContact O-N 2.88Å; V214-S218 WeakPolarHBondContact O-CB 3.37Å; V214-S218 PolarHBondContact O-N 3.39Å; V214-A374 HydrophobicContact CG1-CB 4.49Å; V214-A374 HydrophobicContact CG2-CB 3.95Å; V214-V375 HydrophobicContact CG1-CG2 3.88Å; V214-V375 WeakPolarHBondContact O-CG2 3.41Å; V214-V401 HydrophobicContact CB-CG2 4.38Å; V214-V401 HydrophobicContact CG1-CG2 3.91Å
215G98.7Very high97.5Very high0 Ų014.2 Ų14.20%08%0.079CC..Hα-helixtrans-62-44.2174.500000112.5S191 Y211 A212 I213 S218S191-G215 WeakPolarHBondContact OG-CA 3.41Å; Y211-G215 PolarHBondContact O-N 3.17Å; A212-G215 PolarHBondContact O-N 2.98Å; I213-G215 VanDerWaalsContact C-N 3.33Å; I213-G215 PolarHBondContact O-N 3.22Å; G215-S218 WeakPolarHBondContact O-CB 3.15Å; G215-S218 PolarHBondContact O-N 2.88Å; G215-S218 PolarHBondContact O-OG 3.47Å
216Q98.6Very high97.6Very high0 Ų013.3 Ų13.30%07%0.074CC..Hα-helixtrans-65.3-44.3175.8-171.457.855.100112.7A189 V192 A212 I213 S218 Q219 I225 Y230 Q233 L237A189-Q216 HydrophobicContact CB-CB 4.25Å; V192-Q216 HydrophobicContact CG2-CB 3.99Å; A212-Q216 WeakPolarHBondContact O-CB 3.38Å; A212-Q216 PolarHBondContact O-N 3.34Å; I213-Q216 PolarHBondContact O-N 3.32Å; Q216-S218 PolarHBondContact O-N 3.37Å; Q216-Q219 PolarHBondContact O-N 2.93Å; Q216-I225 VanDerWaalsContact NE2-CD1 3.29Å; Q216-Y230 HydrophobicContact CG-CD2 4.26Å; Q216-Y230 HydrophobicContact CG-CE2 4.36Å; Q216-Q233 HydrophobicContact CG-CB 4.04Å; Q216-Q233 HydrophobicContact CG-CG 4.47Å; Q216-L237 HydrophobicContact CB-CD1 4.09Å; Q216-L237 HydrophobicContact CG-CD1 4.2Å
217T98.7Very high97.6Very high1 Ų114.8 Ų14.81%0.0068%0.077CC..Hα-helixtrans-62.2-31.4175.5-56.30000111.1I213 V214 Q219 L220 I221 Y230 A371 V372 V375I213-T217 WeakPolarHBondContact O-CB 3.29Å; I213-T217 PolarHBondContact O-N 3.42Å; I213-T217 PolarHBondContact O-OG1 3.44Å; V214-T217 PolarHBondContact O-N 2.88Å; T217-Q219 VanDerWaalsContact C-N 3.32Å; T217-Q219 PolarHBondContact O-N 3.17Å; T217-L220 WeakPolarHBondContact O-CB 3.4Å; T217-L220 PolarHBondContact O-N 3.25Å; T217-L220 VanDerWaalsContact O-N 3.16Å; T217-I221 HydrophobicContact CG2-CG1 4.12Å; T217-I221 WeakPolarHBondContact O-CG1 3.17Å; T217-I221 PolarHBondContact O-N 3.12Å; T217-I221 VanDerWaalsContact O-N 3.08Å; T217-Y230 PolarHBondContact OG1-OH 2.9Å; T217-Y230 VanDerWaalsContact OG1-OH 3.13Å; T217-A371 HydrophobicContact CG2-CB 4.13Å; T217-V372 HydrophobicContact CG2-CG2 3.84Å; T217-V375 HydrophobicContact CG2-CG2 4.05Å
218S98.8Very high97.5Very high4 Ų418.3 Ų18.33%0.0289%0.09CC..Hα-helixtrans-62.6-36.7178.9810000113.2V214 G215 Q216 L220 I221 T222V214-S218 WeakPolarHBondContact O-CB 3.37Å; V214-S218 PolarHBondContact O-N 3.39Å; G215-S218 WeakPolarHBondContact O-CB 3.15Å; G215-S218 PolarHBondContact O-N 2.88Å; G215-S218 PolarHBondContact O-OG 3.47Å; Q216-S218 PolarHBondContact O-N 3.37Å; S218-L220 VanDerWaalsContact C-N 3.31Å; S218-L220 PolarHBondContact O-N 2.91Å; S218-I221 PolarHBondContact O-N 3.37Å; S218-T222 WeakPolarHBondContact O-CB 3.46Å; S218-T222 WeakPolarHBondContact O-CG2 3.39Å; S218-T222 PolarHBondContact O-N 3.36Å; S218-T222 PolarHBondContact O-OG1 3.45Å
219Q98.3Very high97.4Very high6 Ų619.9 Ų19.93%0.02810%0.097CC..Hα-helixtrans-62.2-38.3175.6-67.1-177.2-30.500111.6S101 S187 A189 Q216 T217 T222 H223 A224 I225S101-Q219 PolarHBondContact OG-NE2 3.3Å; S187-Q219 PolarHBondContact O-NE2 3.14Å; S187-Q219 PolarHBondContact O-OE1 2.92Å; A189-Q219 HydrophobicContact CB-CG 4.45Å; Q216-Q219 PolarHBondContact O-N 2.93Å; T217-Q219 VanDerWaalsContact C-N 3.32Å; T217-Q219 PolarHBondContact O-N 3.17Å; Q219-T222 PolarHBondContact O-OG1 3.03Å; Q219-H223 PolarHBondContact O-N 2.71Å; Q219-A224 HydrophobicContact CB-CB 4.2Å; Q219-A224 WeakPolarHBondContact O-CB 3.34Å; Q219-A224 PolarHBondContact O-N 3.21Å; Q219-I225 HydrophobicContact CB-CD1 3.79Å; Q219-I225 HydrophobicContact CB-CG1 3.75Å; Q219-I225 HydrophobicContact CB-CG2 4.19Å; Q219-I225 PolarHBondContact O-N 3.4Å
220L97.9Very high97.3Very high20 Ų2019.9 Ų19.911%0.10510%0.097CC..Hα-helixtrans-66.3-48.3175.4174.968.2000111.6T217 S218 H223 I225 Y230 L356T217-L220 WeakPolarHBondContact O-CB 3.4Å; T217-L220 PolarHBondContact O-N 3.25Å; T217-L220 VanDerWaalsContact O-N 3.16Å; S218-L220 VanDerWaalsContact C-N 3.31Å; S218-L220 PolarHBondContact O-N 2.91Å; L220-H223 PolarHBondContact O-N 2.93Å; L220-H223 PolarHBondContact O-ND1 2.74Å; L220-I225 HydrophobicContact CB-CG1 4.42Å; L220-Y230 HydrophobicContact CB-CD2 4.06Å; L220-Y230 HydrophobicContact CB-CG 4.17Å; L220-Y230 HydrophobicContact CD2-CD1 3.67Å; L220-Y230 HydrophobicContact CD2-CD2 4.21Å; L220-Y230 HydrophobicContact CD2-CE1 3.96Å; L220-Y230 HydrophobicContact CD2-CE2 4.5Å; L220-Y230 HydrophobicContact CD2-CG 3.78Å; L220-Y230 HydrophobicContact CG-CG 4.39Å; L220-L356 HydrophobicContact CD2-CD1 3.8Å; L220-L356 HydrophobicContact CD2-CD2 3.89Å; L220-L356 HydrophobicContact CD2-CG 4.5Å
221I98.1Very high97.2Very high18 Ų1823 Ų239%0.09211%0.113CC..Hα-helixtrans-67.9-37.6-175.1-64.8-55.8000111.7T217 S218 H223 V372 V375 F376 I465T217-I221 HydrophobicContact CG2-CG1 4.12Å; T217-I221 WeakPolarHBondContact O-CG1 3.17Å; T217-I221 PolarHBondContact O-N 3.12Å; T217-I221 VanDerWaalsContact O-N 3.08Å; S218-I221 PolarHBondContact O-N 3.37Å; I221-H223 PolarHBondContact O-N 2.88Å; I221-V372 HydrophobicContact CD1-CB 4.35Å; I221-V372 HydrophobicContact CD1-CG1 3.68Å; I221-V372 HydrophobicContact CD1-CG2 4.04Å; I221-V372 HydrophobicContact CG1-CG1 4.32Å; I221-V375 HydrophobicContact CB-CG1 3.93Å; I221-V375 HydrophobicContact CG1-CB 4.47Å; I221-V375 HydrophobicContact CG1-CG1 4.22Å; I221-V375 HydrophobicContact CG2-CG1 3.89Å; I221-F376 HydrophobicContact CD1-CZ 4.46Å; I221-F376 HydrophobicContact CG2-CD1 4.14Å; I221-F376 HydrophobicContact CG2-CE1 3.48Å; I221-F376 VanDerWaalsContact CG2-CE1 3.48Å; I221-F376 HydrophobicContact CG2-CE2 4.29Å; I221-F376 HydrophobicContact CG2-CZ 3.57Å; I221-I465 HydrophobicContact CG2-CD1 4.19Å; I221-I465 HydrophobicContact CG2-CG1 4.48Å; I221-I465 WeakPolarHBondContact O-CG1 3.42Å
222T97.5Very high97Very high22 Ų2228.4 Ų28.414%0.13514%0.142CC..THydrogen-bonded Turntrans-78.2-2.2173.5570000113.2S218 Q219 A224 I379 Q461 A464S218-T222 WeakPolarHBondContact O-CB 3.46Å; S218-T222 WeakPolarHBondContact O-CG2 3.39Å; S218-T222 PolarHBondContact O-N 3.36Å; S218-T222 PolarHBondContact O-OG1 3.45Å; Q219-T222 PolarHBondContact O-OG1 3.03Å; T222-A224 PolarHBondContact O-N 2.9Å; T222-I379 HydrophobicContact CG2-CD1 4.19Å; T222-Q461 HydrophobicContact CG2-CB 3.92Å; T222-Q461 HydrophobicContact CG2-CG 4.13Å; T222-A464 WeakPolarHBondContact O-CB 3.38Å
223H96.3Very high96.8Very high68 Ų6830.1 Ų30.132%0.31515%0.15SC..THydrogen-bonded Turntrans59.929.1-177.8-50.7-57.9000113.8Q219 L220 I221 I225 K468Q219-H223 PolarHBondContact O-N 2.71Å; L220-H223 PolarHBondContact O-N 2.93Å; L220-H223 PolarHBondContact O-ND1 2.74Å; I221-H223 PolarHBondContact O-N 2.88Å; H223-I225 VanDerWaalsContact C-N 3.31Å; H223-K468 WeakPolarHBondContact CD2-CB 3.48Å; H223-K468 WeakPolarHBondContact NE2-CB 3.22Å
224A96.4Very high96.7Very high18 Ų1830.3 Ų30.315%0.14915%0.151CC..SBendtrans-73-26.3169.900000112.1H186 Q219 T222H186-A224 PolarHBondContact ND1-O 3.12Å; H186-A224 VanDerWaalsContact ND1-O 3.09Å; Q219-A224 HydrophobicContact CB-CB 4.2Å; Q219-A224 WeakPolarHBondContact O-CB 3.34Å; Q219-A224 PolarHBondContact O-N 3.21Å; T222-A224 PolarHBondContact O-N 2.9Å
225I96.5Very high96.5Very high5 Ų536 Ų363%0.02618%0.182CC..SBendtrans-131.7163.5170.266.6177.5000110.3H186 Q216 Q219 L220 H223 H229H186-I225 HydrophobicContact CB-CG2 3.98Å; Q216-I225 VanDerWaalsContact NE2-CD1 3.29Å; Q219-I225 HydrophobicContact CB-CD1 3.79Å; Q219-I225 HydrophobicContact CB-CG1 3.75Å; Q219-I225 HydrophobicContact CB-CG2 4.19Å; Q219-I225 PolarHBondContact O-N 3.4Å; L220-I225 HydrophobicContact CB-CG1 4.42Å; H223-I225 VanDerWaalsContact C-N 3.31Å; I225-H229 HydrophobicContact CB-CB 4.08Å; I225-H229 HydrophobicContact CD1-CB 4.42Å
226N95Very high96.4Very high37 Ų3738.4 Ų38.420%0.19819%0.191CC..  trans-87.8-178.3172.771.323.3000112.3E228 H229 Y230 D516 D518N226-E228 PolarHBondContact OD1-N 3.25Å; N226-H229 VanDerWaalsContact OD1-CB 3.29Å; N226-H229 WeakPolarHBondContact OD1-CB 3.23Å; N226-H229 PolarHBondContact OD1-N 3.46Å; N226-Y230 PolarHBondContact O-N 3.02Å; N226-D516 PolarHBondContact ND2-O 3.24Å; N226-D518 HydrophobicContact CB-CB 3.86Å
227R94.4Very high96.4Very high66 Ų6638.4 Ų38.425%0.24919%0.191CC..Hα-helixtrans-67.8-39178.3-175.9-176.1179.9104.60.4113Y230 I231 T352 F355R227-Y230 PolarHBondContact O-N 2.64Å; R227-I231 HydrophobicContact CG-CD1 3.87Å; R227-I231 HydrophobicContact CG-CG1 4.39Å; R227-I231 VanDerWaalsContact O-CG1 3.3Å; R227-I231 WeakPolarHBondContact O-CG1 3.47Å; R227-I231 PolarHBondContact O-N 3.42Å; R227-T352 PolarHBondContact NH1-O 3.36Å; R227-T352 VanDerWaalsContact NH1-O 3.13Å; R227-F355 PolarHBondContact NH1-O 3.38Å; R227-F355 PolarHBondContact NH2-O 2.85Å
228E94.4Very high96.3Very high112 Ų11241.3 Ų41.352%0.52321%0.205SC..Hα-helixtrans-64.5-49.4-177.3-62.6-174.3163.900110.2N226 Y230 I231 D232N226-E228 PolarHBondContact OD1-N 3.25Å; E228-Y230 VanDerWaalsContact C-N 3.32Å; E228-Y230 PolarHBondContact O-N 2.49Å; E228-I231 WeakPolarHBondContact O-CB 3.31Å; E228-I231 PolarHBondContact O-N 3.22Å; E228-D232 PolarHBondContact O-N 3.28Å
229H94.6Very high96.3Very high36 Ų3644.2 Ų44.217%0.16723%0.225CC..Hα-helixtrans-54.1-47.9172-167.3150.1000111.3H186 I225 N226 I231 D232 Q233 D518H186-H229 PolarHBondContact O-CE1 3.34Å; I225-H229 HydrophobicContact CB-CB 4.08Å; I225-H229 HydrophobicContact CD1-CB 4.42Å; N226-H229 VanDerWaalsContact OD1-CB 3.29Å; N226-H229 WeakPolarHBondContact OD1-CB 3.23Å; N226-H229 PolarHBondContact OD1-N 3.46Å; H229-I231 VanDerWaalsContact C-N 3.32Å; H229-I231 PolarHBondContact O-N 2.7Å; H229-D232 PolarHBondContact O-N 2.61Å; H229-Q233 PolarHBondContact O-N 3.16Å; H229-D518 IonicContact CG-OD2 3.16Å; H229-D518 IonicContact ND1-OD2 3.92Å; H229-D518 PolarHBondContact ND1-OD2 3.12Å
230Y96.9Very high96.2Very high0 Ų044.2 Ų44.20%023%0.225CC..Hα-helixtrans-58.4-44.9177176.4-106.2000112.1Q216 T217 L220 N226 R227 E228 D232 Q233 L234 L356 P357Q216-Y230 HydrophobicContact CG-CD2 4.26Å; Q216-Y230 HydrophobicContact CG-CE2 4.36Å; T217-Y230 PolarHBondContact OG1-OH 2.9Å; T217-Y230 VanDerWaalsContact OG1-OH 3.13Å; L220-Y230 HydrophobicContact CB-CD2 4.06Å; L220-Y230 HydrophobicContact CB-CG 4.17Å; L220-Y230 HydrophobicContact CD2-CD1 3.67Å; L220-Y230 HydrophobicContact CD2-CD2 4.21Å; L220-Y230 HydrophobicContact CD2-CE1 3.96Å; L220-Y230 HydrophobicContact CD2-CE2 4.5Å; L220-Y230 HydrophobicContact CD2-CG 3.78Å; L220-Y230 HydrophobicContact CG-CG 4.39Å; N226-Y230 PolarHBondContact O-N 3.02Å; R227-Y230 PolarHBondContact O-N 2.64Å; E228-Y230 VanDerWaalsContact C-N 3.32Å; E228-Y230 PolarHBondContact O-N 2.49Å; Y230-D232 VanDerWaalsContact C-N 3.34Å; Y230-D232 PolarHBondContact O-N 3.03Å; Y230-Q233 PolarHBondContact O-N 2.87Å; Y230-L234 HydrophobicContact CD1-CD1 4.25Å; Y230-L234 HydrophobicContact CD1-CD2 4.31Å; Y230-L234 HydrophobicContact CD1-CG 4.37Å; Y230-L234 HydrophobicContact CE1-CD1 3.99Å; Y230-L234 HydrophobicContact CE1-CD2 3.72Å; Y230-L234 HydrophobicContact CE1-CG 4.17Å; Y230-L234 HydrophobicContact CE2-CD2 4.12Å; Y230-L234 WeakPolarHBondContact O-CG 3.47Å; Y230-L234 PolarHBondContact O-N 3.1Å; Y230-L356 HydrophobicContact CD1-CD1 4.21Å; Y230-L356 HydrophobicContact CE1-CD1 4.06Å; Y230-L356 HydrophobicContact CE1-CG 4.39Å; Y230-P357 WeakPolarHBondContact CE1-O 3.43Å
231I96Very high96.2Very high66 Ų6644.2 Ų44.234%0.33823%0.225SC..Hα-helixtrans-61.1-41.6177.9-71.8169.3000111.3R227 E228 H229 Q233 L234 P357R227-I231 HydrophobicContact CG-CD1 3.87Å; R227-I231 HydrophobicContact CG-CG1 4.39Å; R227-I231 VanDerWaalsContact O-CG1 3.3Å; R227-I231 WeakPolarHBondContact O-CG1 3.47Å; R227-I231 PolarHBondContact O-N 3.42Å; E228-I231 WeakPolarHBondContact O-CB 3.31Å; E228-I231 PolarHBondContact O-N 3.22Å; H229-I231 VanDerWaalsContact C-N 3.32Å; H229-I231 PolarHBondContact O-N 2.7Å; I231-Q233 PolarHBondContact O-N 2.9Å; I231-Q233 VanDerWaalsContact O-N 3.15Å; I231-L234 HydrophobicContact CG1-CD1 4.23Å; I231-L234 WeakPolarHBondContact O-CB 3.23Å; I231-L234 PolarHBondContact O-N 2.96Å; I231-P357 HydrophobicContact CG1-CG 4.27Å
232D94Very high96.1Very high117 Ų11746.4 Ų46.463%0.62624%0.242SC*.Hα-helixtrans-59.6-27178.3-68-20.7000112.7E228 H229 Y230E228-D232 PolarHBondContact O-N 3.28Å; H229-D232 PolarHBondContact O-N 2.61Å; Y230-D232 VanDerWaalsContact C-N 3.34Å; Y230-D232 PolarHBondContact O-N 3.03Å
233Q94.2Very high96Very high36 Ų3649 Ų4917%0.16825%0.249CC..Hα-helixtrans-86.6-14.7176.3-56.6-51.6-48.200113.8V188 Q216 H229 Y230 I231 L237V188-Q233 HydrophobicContact CG2-CG 4.45Å; Q216-Q233 HydrophobicContact CG-CB 4.04Å; Q216-Q233 HydrophobicContact CG-CG 4.47Å; H229-Q233 PolarHBondContact O-N 3.16Å; Y230-Q233 PolarHBondContact O-N 2.87Å; I231-Q233 PolarHBondContact O-N 2.9Å; I231-Q233 VanDerWaalsContact O-N 3.15Å; Q233-L237 PolarHBondContact O-N 3.21Å
234L95.9Very high95.8Very high5 Ų546.4 Ų46.43%0.02624%0.237CC..Hα-helixtrans-67.3-39.3-175.9-67.1-178.4000112.4Y230 I231 Y236 L237 Q238 F268 P357 F359Y230-L234 HydrophobicContact CD1-CD1 4.25Å; Y230-L234 HydrophobicContact CD1-CD2 4.31Å; Y230-L234 HydrophobicContact CD1-CG 4.37Å; Y230-L234 HydrophobicContact CE1-CD1 3.99Å; Y230-L234 HydrophobicContact CE1-CD2 3.72Å; Y230-L234 HydrophobicContact CE1-CG 4.17Å; Y230-L234 HydrophobicContact CE2-CD2 4.12Å; Y230-L234 WeakPolarHBondContact O-CG 3.47Å; Y230-L234 PolarHBondContact O-N 3.1Å; I231-L234 HydrophobicContact CG1-CD1 4.23Å; I231-L234 WeakPolarHBondContact O-CB 3.23Å; I231-L234 PolarHBondContact O-N 2.96Å; L234-Y236 VanDerWaalsContact C-N 3.27Å; L234-Y236 PolarHBondContact O-N 2.95Å; L234-L237 PolarHBondContact O-N 3.14Å; L234-Q238 WeakPolarHBondContact O-CB 3.25Å; L234-Q238 PolarHBondContact O-N 3.18Å; L234-F268 HydrophobicContact CB-CE2 4.35Å; L234-F268 HydrophobicContact CD1-CE2 4.04Å; L234-F268 HydrophobicContact CD1-CZ 4.09Å; L234-F268 HydrophobicContact CD2-CE2 4.26Å; L234-F268 HydrophobicContact CG-CE2 4.45Å; L234-P357 HydrophobicContact CD1-CB 3.92Å; L234-P357 HydrophobicContact CD1-CG 3.79Å; L234-P357 WeakPolarHBondContact CD1-O 3.37Å; L234-F359 HydrophobicContact CD2-CD2 4.4Å; L234-F359 HydrophobicContact CD2-CE2 3.56Å; L234-F359 HydrophobicContact CD2-CZ 4.26Å
235D95.3Very high95.6Very high120 Ų12047.2 Ų47.264%0.64224%0.242SC*.Hα-helixtrans-57.4-42.8-178.5-78.6-8.3000111.5S239D235-S239 WeakPolarHBondContact O-CB 3.14Å; D235-S239 PolarHBondContact O-N 3.18Å
236Y97.2Very high95.2Very high49 Ų4952.5 Ų52.519%0.19227%0.266CS..Hα-helixtrans-60.8-56.4175.5178.1-97.7000110.7V192 F195 D196 L234 Q238 S239 H240V192-Y236 HydrophobicContact CG1-CD1 3.96Å; V192-Y236 HydrophobicContact CG1-CE1 3.72Å; F195-Y236 HydrophobicContact CD1-CE1 4.42Å; D196-Y236 WeakPolarHBondContact CB-OH 3Å; D196-Y236 PolarHBondContact OD1-OH 3.29Å; L234-Y236 VanDerWaalsContact C-N 3.27Å; L234-Y236 PolarHBondContact O-N 2.95Å; Y236-Q238 PolarHBondContact O-N 3.31Å; Y236-S239 PolarHBondContact O-N 3.14Å; Y236-S239 PolarHBondContact O-OG 2.92Å; Y236-H240 AromaticContact CE2-CD2 3.99Å; Y236-H240 AromaticContact CE2-NE2 3.5Å; Y236-H240 WeakPolarHBondContact CE2-NE2 3.37Å; Y236-H240 AromaticContact CZ-CD2 3.89Å; Y236-H240 AromaticContact CZ-NE2 3.45Å; Y236-H240 PolarHBondContact O-CD2 3.11Å; Y236-H240 PolarHBondContact O-N 3.32Å
237L98.3Very high94.8Very high1 Ų153.6 Ų53.61%0.00527%0.272CS..Hα-helixtrans-62.8-40-177.1-66172000112.7V192 L209 A212 I213 Q216 Q233 L234 H240 M241 F359V192-L237 HydrophobicContact CG1-CD2 4.42Å; V192-L237 HydrophobicContact CG2-CD2 4.33Å; L209-L237 HydrophobicContact CD1-CD2 4.07Å; A212-L237 HydrophobicContact CB-CD2 4Å; I213-L237 HydrophobicContact CG1-CB 4.36Å; I213-L237 HydrophobicContact CG1-CD1 4.16Å; I213-L237 HydrophobicContact CG1-CD2 4.34Å; Q216-L237 HydrophobicContact CB-CD1 4.09Å; Q216-L237 HydrophobicContact CG-CD1 4.2Å; Q233-L237 PolarHBondContact O-N 3.21Å; L234-L237 PolarHBondContact O-N 3.14Å; L237-H240 PolarHBondContact O-N 2.85Å; L237-M241 PolarHBondContact O-N 3.27Å; L237-F359 HydrophobicContact CB-CE1 4.43Å; L237-F359 HydrophobicContact CB-CE2 4Å; L237-F359 HydrophobicContact CB-CZ 3.56Å; L237-F359 HydrophobicContact CD1-CE2 4.22Å
238Q97.7Very high94.1Very high61 Ų6151.7 Ų51.729%0.28527%0.272SS..Hα-helixtrans-67.4-35.6178.8-170.7-177.7300112L234 Y236 H240 M241 S242 F268 F359L234-Q238 WeakPolarHBondContact O-CB 3.25Å; L234-Q238 PolarHBondContact O-N 3.18Å; Y236-Q238 PolarHBondContact O-N 3.31Å; Q238-H240 VanDerWaalsContact C-N 3.34Å; Q238-H240 PolarHBondContact O-N 2.98Å; Q238-M241 HydrophobicContact CG-CE 4.02Å; Q238-M241 WeakPolarHBondContact O-CB 3.33Å; Q238-M241 PolarHBondContact O-N 2.9Å; Q238-S242 WeakPolarHBondContact O-CB 3.37Å; Q238-S242 PolarHBondContact O-N 3.42Å; Q238-S242 PolarHBondContact O-OG 2.77Å; Q238-F268 HydrophobicContact CG-CB 4.37Å; Q238-F268 HydrophobicContact CG-CD1 4.37Å; Q238-F268 HydrophobicContact CG-CD2 4.45Å; Q238-F268 HydrophobicContact CG-CG 4.16Å; Q238-F268 VanDerWaalsContact NE2-CD1 3.34Å; Q238-F359 HydrophobicContact CB-CE1 4.37Å; Q238-F359 HydrophobicContact CB-CZ 4.33Å
239S97.3Very high93.4Very high65 Ų6551.7 Ų51.746%0.45527%0.272SS..Hα-helixtrans-62.5-41.6174.478.40000111.7D235 Y236 S242 R243D235-S239 WeakPolarHBondContact O-CB 3.14Å; D235-S239 PolarHBondContact O-N 3.18Å; Y236-S239 PolarHBondContact O-N 3.14Å; Y236-S239 PolarHBondContact O-OG 2.92Å; S239-S242 PolarHBondContact O-N 3.42Å; S239-R243 WeakPolarHBondContact O-CB 3.32Å; S239-R243 PolarHBondContact O-N 2.69Å; S239-R243 VanDerWaalsContact O-N 3.07Å
240H97.6Very high92.6Very high7 Ų754.7 Ų54.73%0.03229%0.288CS..Hα-helixtrans-67.8-40.8175.8-80.9-100.3000112.4F195 W199 L209 Y236 L237 Q238 R243 L244F195-H240 HydrophobicContact CE1-CB 3.91Å; F195-H240 AromaticContact CE1-CE1 3.92Å; F195-H240 AromaticContact CE1-CG 3.61Å; F195-H240 AromaticContact CE1-ND1 3.36Å; F195-H240 WeakPolarHBondContact CE1-ND1 3.44Å; F195-H240 HydrophobicContact CZ-CB 4.04Å; F195-H240 AromaticContact CZ-ND1 3.67Å; W199-H240 AromaticContact CD1-CE1 3.89Å; W199-H240 AromaticContact CD2-CE1 3.47Å; W199-H240 VanDerWaalsContact CD2-CE1 3.47Å; W199-H240 AromaticContact CE2-CE1 3.87Å; W199-H240 AromaticContact CE3-CE1 3.88Å; W199-H240 AromaticContact CG-CE1 3.47Å; W199-H240 VanDerWaalsContact CG-CE1 3.47Å; L209-H240 HydrophobicContact CD1-CB 4.09Å; L209-H240 HydrophobicContact CD2-CB 4.39Å; Y236-H240 AromaticContact CE2-CD2 3.99Å; Y236-H240 AromaticContact CE2-NE2 3.5Å; Y236-H240 WeakPolarHBondContact CE2-NE2 3.37Å; Y236-H240 AromaticContact CZ-CD2 3.89Å; Y236-H240 AromaticContact CZ-NE2 3.45Å; Y236-H240 PolarHBondContact O-CD2 3.11Å; Y236-H240 PolarHBondContact O-N 3.32Å; L237-H240 PolarHBondContact O-N 2.85Å; Q238-H240 VanDerWaalsContact C-N 3.34Å; Q238-H240 PolarHBondContact O-N 2.98Å; H240-R243 PolarHBondContact ND1-NH2 3.24Å; H240-R243 PolarHBondContact O-N 2.68Å; H240-L244 WeakPolarHBondContact O-CB 3.3Å; H240-L244 WeakPolarHBondContact O-CG 3.2Å; H240-L244 PolarHBondContact O-N 2.74Å
241M96.5Very high91.3Very high20 Ų2059.9 Ų59.910%0.09931%0.313CS..Hα-helixtrans-57-49.8173.9-178.1-161.372.900111.2L209 L237 Q238 R243 L244 S245 I266 L267 F268 F359L209-M241 VanDerWaalsContact CD2-CA 3.48Å; L209-M241 HydrophobicContact CD2-CB 3.86Å; L237-M241 PolarHBondContact O-N 3.27Å; Q238-M241 HydrophobicContact CG-CE 4.02Å; Q238-M241 WeakPolarHBondContact O-CB 3.33Å; Q238-M241 PolarHBondContact O-N 2.9Å; M241-R243 VanDerWaalsContact C-N 3.35Å; M241-R243 PolarHBondContact O-N 3.48Å; M241-L244 PolarHBondContact O-N 3.46Å; M241-S245 WeakPolarHBondContact O-CB 3.22Å; M241-S245 PolarHBondContact O-N 2.79Å; M241-I266 HydrophobicContact CG-CB 4.18Å; M241-I266 HydrophobicContact CG-CG2 4.12Å; M241-I266 HydrophobicContact SD-CG2 4.03Å; M241-L267 VanDerWaalsContact SD-C 3.57Å; M241-F268 HydrophobicContact CE-CB 3.69Å; M241-F268 HydrophobicContact SD-CB 3.82Å; M241-F359 HydrophobicContact SD-CD1 3.96Å; M241-F359 HydrophobicContact SD-CE1 4.03Å
242S96Very high89.6Confident64 Ų6460 Ų6045%0.44832%0.319SS..Hα-helixtrans-61.4-44.3-178.9-57.30000111.4Q238 S239 H246Q238-S242 WeakPolarHBondContact O-CB 3.37Å; Q238-S242 PolarHBondContact O-N 3.42Å; Q238-S242 PolarHBondContact O-OG 2.77Å; S239-S242 PolarHBondContact O-N 3.42Å; S242-H246 PolarHBondContact O-N 2.72Å; S242-H246 VanDerWaalsContact O-N 3.14Å
243R94.7Very high87.8Confident76 Ų7657.9 Ų57.929%0.28733%0.325SS..Hα-helixtrans-63-47.5177.2-174.9-177.661.177.80.8112.3E204 S239 H240 M241 H246 I247E204-R243 VanDerWaalsContact CG-NH2 3.32Å; E204-R243 IonicContact OE1-CZ 2.68Å; E204-R243 IonicContact OE1-NH1 3.72Å; E204-R243 PolarHBondContact OE1-NH1 2.84Å; E204-R243 IonicContact OE1-NH2 3.14Å; E204-R243 PolarHBondContact OE1-NH2 3.22Å; S239-R243 WeakPolarHBondContact O-CB 3.32Å; S239-R243 PolarHBondContact O-N 2.69Å; S239-R243 VanDerWaalsContact O-N 3.07Å; H240-R243 PolarHBondContact ND1-NH2 3.24Å; H240-R243 PolarHBondContact O-N 2.68Å; M241-R243 VanDerWaalsContact C-N 3.35Å; M241-R243 PolarHBondContact O-N 3.48Å; R243-H246 PolarHBondContact O-N 3.37Å; R243-I247 HydrophobicContact CG-CD1 4.24Å; R243-I247 WeakPolarHBondContact O-CG1 3.36Å; R243-I247 PolarHBondContact O-N 2.55Å; R243-I247 VanDerWaalsContact O-N 3.09Å
244L93.6Very high85.8Confident14 Ų1461.5 Ų61.57%0.07335%0.349CS..Hα-helixtrans-67.8-35.8-179.8-77.8173.7000112.7E204 N206 L209 H240 M241 I247 G248E204-L244 HydrophobicContact CG-CD1 4.49Å; E204-L244 HydrophobicContact CG-CD2 4.19Å; N206-L244 WeakPolarHBondContact OD1-CB 3.46Å; L209-L244 HydrophobicContact CB-CD1 4.18Å; L209-L244 HydrophobicContact CD2-CD1 3.98Å; H240-L244 WeakPolarHBondContact O-CB 3.3Å; H240-L244 WeakPolarHBondContact O-CG 3.2Å; H240-L244 PolarHBondContact O-N 2.74Å; M241-L244 PolarHBondContact O-N 3.46Å; L244-I247 HydrophobicContact CD2-CD1 4.45Å; L244-I247 PolarHBondContact O-N 3.45Å; L244-G248 PolarHBondContact O-N 3.13Å
245S91.1Very high83.3Confident35 Ų3565 Ų6525%0.24538%0.375CS..Hα-helixtrans-59.2-46.6172.3-177.20000111.3M241 I247 G248 Q249M241-S245 WeakPolarHBondContact O-CB 3.22Å; M241-S245 PolarHBondContact O-N 2.79Å; S245-I247 PolarHBondContact O-N 2.94Å; S245-G248 PolarHBondContact O-N 2.93Å; S245-Q249 WeakPolarHBondContact O-CG 3.48Å; S245-Q249 PolarHBondContact O-N 3.37Å
246H88.8Confident81Confident115 Ų11566 Ų6653%0.53239%0.385SS..Hα-helixtrans-63.2-40.9178.1-162.6-74.5000112.6S242 R243 Q249 I250S242-H246 PolarHBondContact O-N 2.72Å; S242-H246 VanDerWaalsContact O-N 3.14Å; R243-H246 PolarHBondContact O-N 3.37Å; H246-Q249 PolarHBondContact O-N 3.03Å; H246-I250 WeakPolarHBondContact ND1-CD1 3.38Å; H246-I250 WeakPolarHBondContact O-CG1 3.08Å; H246-I250 PolarHBondContact O-N 3.36Å
247I85.6Confident78.5Confident61 Ų6168.3 Ų68.331%0.31341%0.408SS..Hα-helixtrans-61.9-44.6174.6-68.3166.3000110.8R243 L244 S245 Q249 I250 H251R243-I247 HydrophobicContact CG-CD1 4.24Å; R243-I247 WeakPolarHBondContact O-CG1 3.36Å; R243-I247 PolarHBondContact O-N 2.55Å; R243-I247 VanDerWaalsContact O-N 3.09Å; L244-I247 HydrophobicContact CD2-CD1 4.45Å; L244-I247 PolarHBondContact O-N 3.45Å; S245-I247 PolarHBondContact O-N 2.94Å; I247-Q249 VanDerWaalsContact C-N 3.34Å; I247-Q249 PolarHBondContact O-N 3.04Å; I247-I250 PolarHBondContact O-N 3.13Å; I247-H251 PolarHBondContact O-N 3.19Å; I247-H251 VanDerWaalsContact O-N 3.12Å
248G80.6Confident76Confident25 Ų2574.6 Ų74.626%0.25844%0.442SS..Hα-helixtrans-62.1-38.5178.600000113.3L244 S245 S252L244-G248 PolarHBondContact O-N 3.13Å; S245-G248 PolarHBondContact O-N 2.93Å; G248-S252 WeakPolarHBondContact O-CB 3.38Å; G248-S252 PolarHBondContact O-N 3.12Å; G248-S252 PolarHBondContact O-OG 3.32Å
249Q79.4Confident73.4Confident113 Ų11380.5 Ų80.553%0.52847%0.47SS..Hα-helixtrans-64.5-44175.9-71.11774.100111.9S245 H246 I247 H251 S252S245-Q249 WeakPolarHBondContact O-CG 3.48Å; S245-Q249 PolarHBondContact O-N 3.37Å; H246-Q249 PolarHBondContact O-N 3.03Å; I247-Q249 VanDerWaalsContact C-N 3.34Å; I247-Q249 PolarHBondContact O-N 3.04Å; Q249-H251 PolarHBondContact O-N 3.36Å; Q249-S252 PolarHBondContact O-N 3.49Å; Q249-S252 PolarHBondContact O-OG 2.85Å
250I77.8Confident71Confident98 Ų9885.3 Ų85.350%0.50349%0.49SS..Hα-helixtrans-60.6-47.6177.7-66.4165.8000111.2H246 I247 G253 T254H246-I250 WeakPolarHBondContact ND1-CD1 3.38Å; H246-I250 WeakPolarHBondContact O-CG1 3.08Å; H246-I250 PolarHBondContact O-N 3.36Å; I247-I250 PolarHBondContact O-N 3.13Å; I250-G253 PolarHBondContact O-N 3.39Å; I250-T254 PolarHBondContact O-OG1 3.19Å
251H68.9Low69Low110 Ų11093.1 Ų93.151%0.50952%0.524SS..Hα-helixtrans-74.7-27.2-176.5-68.9-36.2000114.2I247 Q249 G253 T254 S255I247-H251 PolarHBondContact O-N 3.19Å; I247-H251 VanDerWaalsContact O-N 3.12Å; Q249-H251 PolarHBondContact O-N 3.36Å; H251-G253 PolarHBondContact O-N 3.34Å; H251-T254 PolarHBondContact O-N 3.07Å; H251-T254 VanDerWaalsContact O-N 3.12Å; H251-S255 PolarHBondContact O-N 2.87Å; H251-S255 PolarHBondContact O-OG 3.26Å
252S61.5Low67.5Low67 Ų6795 Ų9547%0.46954%0.543SS..Hα-helixtrans-65.4-24.817563.50000113.5G248 Q249 T254G248-S252 WeakPolarHBondContact O-CB 3.38Å; G248-S252 PolarHBondContact O-N 3.12Å; G248-S252 PolarHBondContact O-OG 3.32Å; Q249-S252 PolarHBondContact O-N 3.49Å; Q249-S252 PolarHBondContact O-OG 2.85Å; S252-T254 PolarHBondContact O-N 3.37Å
253G55.2Low66.6Low73 Ų7398.6 Ų98.675%0.75355%0.547SS*.THydrogen-bonded Turntrans-73.6-10.6173.200000114.6I250 H251I250-G253 PolarHBondContact O-N 3.39Å; H251-G253 PolarHBondContact O-N 3.34Å
254T52.2Low66.2Low112 Ų11295.3 Ų95.369%0.68754%0.535SS*.THydrogen-bonded Turntrans-121.7-16.2-170.1-7.80000115.1I250 H251 S252I250-T254 PolarHBondContact O-OG1 3.19Å; H251-T254 PolarHBondContact O-N 3.07Å; H251-T254 VanDerWaalsContact O-N 3.12Å; S252-T254 PolarHBondContact O-N 3.37Å
255S45.1Very low66.1Low80 Ų8098 Ų9856%0.55955%0.548SS*.  trans-123115.3-169.4-50.80000112.2H251H251-S255 PolarHBondContact O-N 2.87Å; H251-S255 PolarHBondContact O-OG 3.26Å
256T46.1Very low66.4Low140 Ų14096.8 Ų96.886%0.85954%0.538SS*.  trans-97.99.2179.949.20000114.5
257S44.6Very low66.7Low97 Ų9793.9 Ų93.968%0.67853%0.526SS*.SBendtrans-115.7-2.1-159.261.80000118.8
258D45.2Very low67.3Low133 Ų13393.7 Ų93.771%0.71152%0.523SS*.  trans-12155.1179.9-92.3-6.3000112.2N260D258-N260 PolarHBondContact O-N 2.97Å
259E44.5Very low68Low185 Ų18596.1 Ų96.186%0.86453%0.528SS*.THydrogen-bonded Turntrans-66.5-14.4178.9-67.2-17315200114.2
260N46.9Very low68.7Low166 Ų16693.5 Ų93.589%0.88852%0.517SS*.THydrogen-bonded Turntrans-95.4-7.3-169.3-80.3-15.3000116.2D258D258-N260 PolarHBondContact O-N 2.97Å
261K55.6Low69.5Low172 Ų17289.1 Ų89.175%0.74850%0.495SS*.SBendtrans-99.7119.4172.1-75.5-179.7-177.3167.80108.9R263K261-R263 PolarHBondContact O-N 2.96Å
262A63.1Low70.8Confident60 Ų6084 Ų8450%0.49647%0.471SS..  trans-49.4118.817400000109.6V264 W404A262-V264 PolarHBondContact O-N 3.39Å; A262-W404 HydrophobicContact CB-CB 4.4Å
263R77.7Confident72.4Confident138 Ų13882.3 Ų82.352%0.52146%0.461SS..  trans-67.9115.2178.4-177.9179175.9172.7-0.8108.4K261 E265K261-R263 PolarHBondContact O-N 2.96Å; R263-E265 PolarHBondContact O-N 2.89Å
264V86.8Confident74.4Confident8 Ų879.2 Ų79.25%0.04843%0.427CS..  trans-81.9110.7174.7-178.60000108.3N206 A262 I266 V361 W404N206-V264 HydrophobicContact CB-CB 4.15Å; N206-V264 HydrophobicContact CB-CG1 4.02Å; N206-V264 VanDerWaalsContact CB-O 3.3Å; N206-V264 WeakPolarHBondContact CB-O 3.3Å; N206-V264 PolarHBondContact ND2-O 3.44Å; A262-V264 PolarHBondContact O-N 3.39Å; V264-I266 HydrophobicContact CG1-CG1 4.42Å; V264-V361 HydrophobicContact CG1-CG2 3.65Å; V264-W404 HydrophobicContact CG1-CE3 4.03Å; V264-W404 HydrophobicContact CG1-CH2 4.22Å; V264-W404 HydrophobicContact CG1-CZ3 3.85Å; V264-W404 HydrophobicContact CG2-CD2 3.44Å; V264-W404 VanDerWaalsContact CG2-CD2 3.44Å; V264-W404 HydrophobicContact CG2-CE3 3.79Å; V264-W404 HydrophobicContact CG2-CG 3.76Å; V264-W404 HydrophobicContact CG2-CH2 4.33Å; V264-W404 HydrophobicContact CG2-CZ2 4.04Å; V264-W404 HydrophobicContact CG2-CZ3 4.2Å
265E92.5Very high76.5Confident71 Ų7174.9 Ų74.933%0.33240%0.398SS..EExtended strand (participates in β ladder)trans-116.4131.6174.9177.7169.7-159.300109.3R263 V361 H362R263-E265 PolarHBondContact O-N 2.89Å; E265-V361 WeakPolarHBondContact O-CA 3.45Å; E265-H362 HydrophobicContact CB-CB 4.38Å; E265-H362 PolarHBondContact O-N 3.49Å
266I95.9Very high79Confident8 Ų871 Ų714%0.04137%0.372CS..EExtended strand (participates in β ladder)trans-115.7131.3-176.6-57.8172.2000108.1N206 L209 W210 I213 M241 V264 F359 I360 V361N206-I266 HydrophobicContact CB-CD1 4.36Å; N206-I266 WeakPolarHBondContact O-CD1 3.36Å; L209-I266 HydrophobicContact CB-CD1 4.39Å; L209-I266 HydrophobicContact CD2-CD1 4.21Å; L209-I266 HydrophobicContact CG-CD1 4.19Å; W210-I266 HydrophobicContact CB-CD1 4.03Å; W210-I266 HydrophobicContact CE3-CD1 4.25Å; W210-I266 HydrophobicContact CE3-CG1 4.34Å; I213-I266 HydrophobicContact CD1-CD1 4.12Å; I213-I266 HydrophobicContact CD1-CG2 4.01Å; M241-I266 HydrophobicContact CG-CB 4.18Å; M241-I266 HydrophobicContact CG-CG2 4.12Å; M241-I266 HydrophobicContact SD-CG2 4.03Å; V264-I266 HydrophobicContact CG1-CG1 4.42Å; I266-F359 HydrophobicContact CG2-CB 4.07Å; I266-F359 HydrophobicContact CG2-CD1 3.91Å; I266-F359 HydrophobicContact CG2-CG 4.43Å; I266-I360 CarbonylContact C-O 3.59Å; I266-I360 WeakPolarHBondContact CA-O 3.34Å; I266-V361 HydrophobicContact CG1-CG2 4.43Å
267L95.7Very high81.4Confident55 Ų5564.6 Ų64.629%0.28833%0.332SS..EExtended strand (participates in β ladder)trans-108.2161170.1-63.6-171.6000110.7M241 F359 I360 H362M241-L267 VanDerWaalsContact SD-C 3.57Å; L267-F359 CarbonylContact O-C 3.58Å; L267-F359 VanDerWaalsContact O-CA 3.22Å; L267-F359 WeakPolarHBondContact O-CA 3.16Å; L267-I360 PolarHBondContact N-O 2.94Å; L267-I360 PolarHBondContact O-N 2.91Å; L267-H362 WeakPolarHBondContact CD1-CE1 3.46Å; L267-H362 VanDerWaalsContact CG-CE1 3.46Å; L267-H362 WeakPolarHBondContact CG-CE1 3.35Å
268F97.5Very high83.9Confident56 Ų5661.6 Ų61.625%0.24631%0.306CS..EExtended strand (participates in β ladder)trans-119.5122.8169.5-177.6-98.4000108.7L234 Q238 M241 P357 S358 F359L234-F268 HydrophobicContact CB-CE2 4.35Å; L234-F268 HydrophobicContact CD1-CE2 4.04Å; L234-F268 HydrophobicContact CD1-CZ 4.09Å; L234-F268 HydrophobicContact CD2-CE2 4.26Å; L234-F268 HydrophobicContact CG-CE2 4.45Å; Q238-F268 HydrophobicContact CG-CB 4.37Å; Q238-F268 HydrophobicContact CG-CD1 4.37Å; Q238-F268 HydrophobicContact CG-CD2 4.45Å; Q238-F268 HydrophobicContact CG-CG 4.16Å; Q238-F268 VanDerWaalsContact NE2-CD1 3.34Å; M241-F268 HydrophobicContact CE-CB 3.69Å; M241-F268 HydrophobicContact SD-CB 3.82Å; F268-P357 HydrophobicContact CE1-CB 4.35Å; F268-P357 HydrophobicContact CE2-CB 4.35Å; F268-P357 HydrophobicContact CZ-CB 3.73Å; F268-S358 WeakPolarHBondContact CA-O 3.33Å; F268-S358 WeakPolarHBondContact CD2-O 3.4Å; F268-F359 HydrophobicContact CB-CD1 4.3Å; F268-F359 HydrophobicContact CB-CE1 4.33Å; F268-F359 AromaticContact CD2-CD1 3.88Å; F268-F359 HydrophobicContact CD2-CD1 3.88Å; F268-F359 HydrophobicContact CD2-CD2 4.41Å; F268-F359 AromaticContact CD2-CE1 3.6Å; F268-F359 HydrophobicContact CD2-CE1 3.6Å; F268-F359 HydrophobicContact CD2-CE2 4.18Å; F268-F359 HydrophobicContact CD2-CG 4.27Å; F268-F359 AromaticContact CD2-CZ 3.76Å; F268-F359 HydrophobicContact CD2-CZ 3.76Å; F268-F359 HydrophobicContact CE2-CE1 4.39Å; F268-F359 HydrophobicContact CE2-CE2 4.31Å; F268-F359 HydrophobicContact CE2-CZ 4.09Å; F268-F359 HydrophobicContact CG-CE1 4.4Å
269E95.2Very high86.3Confident77 Ų7756.2 Ų56.236%0.3628%0.276SS..EExtended strand (participates in β ladder)trans-137.7155.4-176.3-66.1-174178.300110.7E271 R278 P357 S358 I360E269-E271 PolarHBondContact O-N 3.25Å; E269-R278 IonicContact OE2-NH2 3.92Å; E269-R278 PolarHBondContact OE2-NH2 2.96Å; E269-P357 WeakPolarHBondContact O-CA 3.38Å; E269-S358 PolarHBondContact N-O 3.07Å; E269-S358 PolarHBondContact O-N 3.4Å; E269-I360 HydrophobicContact CB-CD1 3.97Å; E269-I360 HydrophobicContact CG-CD1 4.01Å; E269-I360 WeakPolarHBondContact OE2-CD1 3.38Å
270D95Very high88.8Confident57 Ų5747.5 Ų47.531%0.30524%0.235SC..EExtended strand (participates in β ladder)trans-86.790.6164.8-162.822.4000107.9R351 F355D270-R351 IonicContact OD2-CZ 3.62Å; D270-R351 IonicContact OD2-NE 3.86Å; D270-R351 IonicContact OD2-NH2 2.7Å; D270-R351 PolarHBondContact OD2-NH2 3.18Å; D270-F355 WeakPolarHBondContact OD1-CB 3.44Å
271E94.2Very high91.2Very high6 Ų639.6 Ų39.63%0.02819%0.193CC..EExtended strand (participates in β ladder)trans-90.6157.3-170.771.1179.2-20.500112.8E269 A273 F355 L356 S358 S370E269-E271 PolarHBondContact O-N 3.25Å; E271-A273 PolarHBondContact O-N 3.28Å; E271-F355 CarbonylContact O-C 3.53Å; E271-F355 WeakPolarHBondContact O-CA 3.46Å; E271-L356 WeakPolarHBondContact CG-O 3.46Å; E271-L356 PolarHBondContact N-O 3.21Å; E271-L356 PolarHBondContact O-N 3.37Å; E271-S358 WeakPolarHBondContact OE2-CB 3.13Å; E271-S358 PolarHBondContact OE2-OG 2.98Å; E271-S370 WeakPolarHBondContact OE1-CB 3.36Å
272L95.7Very high93.1Very high3 Ų331.4 Ų31.42%0.01616%0.157CC..EExtended strand (participates in β ladder)trans-64.5126.5171.6-72.9168.8000109.6L274 Y277 L336 N337 F340 L354 F355L272-L274 HydrophobicContact CB-CD1 4.49Å; L272-L274 HydrophobicContact CB-CG 4.36Å; L272-L274 PolarHBondContact O-N 2.67Å; L272-Y277 HydrophobicContact CB-CD1 4.41Å; L272-Y277 HydrophobicContact CB-CE1 4.07Å; L272-Y277 HydrophobicContact CD1-CE2 4.33Å; L272-Y277 WeakPolarHBondContact O-CE1 3.47Å; L272-L336 HydrophobicContact CD1-CD2 3.74Å; L272-L336 HydrophobicContact CD1-CG 4.11Å; L272-N337 WeakPolarHBondContact CD1-OD1 3.39Å; L272-N337 WeakPolarHBondContact CG-OD1 3.48Å; L272-F340 HydrophobicContact CD1-CD2 4.36Å; L272-F340 HydrophobicContact CD1-CE2 4.38Å; L272-F340 HydrophobicContact CD2-CB 4.07Å; L272-F340 HydrophobicContact CD2-CD1 4.18Å; L272-F340 HydrophobicContact CD2-CD2 4.22Å; L272-F340 HydrophobicContact CD2-CG 3.9Å; L272-L354 CarbonylContact C-O 3.51Å; L272-L354 WeakPolarHBondContact CA-O 3.33Å; L272-F355 HydrophobicContact CD2-CD1 4.17Å; L272-F355 HydrophobicContact CD2-CE1 3.52Å; L272-F355 HydrophobicContact CD2-CZ 3.79Å; L272-F355 HydrophobicContact CG-CE1 4.12Å
273A95.3Very high94.6Very high31 Ų3130.5 Ų30.526%0.25614%0.142SC..  trans-76.149.8176.500000112E271 L354 L356E271-A273 PolarHBondContact O-N 3.28Å; A273-L354 PolarHBondContact N-O 3.25Å; A273-L356 HydrophobicContact CB-CB 4.42Å
274L97.3Very high95.5Very high8 Ų826.4 Ų26.44%0.04213%0.129CC..  trans-113.2121.5176.6-64.9-179.8000108.8L272 L276 Y277 L282 A285 M286 S289 T292 F340L272-L274 HydrophobicContact CB-CD1 4.49Å; L272-L274 HydrophobicContact CB-CG 4.36Å; L272-L274 PolarHBondContact O-N 2.67Å; L274-L276 PolarHBondContact O-N 3.49Å; L274-Y277 HydrophobicContact CB-CD1 4.27Å; L274-Y277 HydrophobicContact CB-CG 4.25Å; L274-Y277 VanDerWaalsContact O-CD1 3.25Å; L274-Y277 WeakPolarHBondContact O-CD1 3.38Å; L274-Y277 PolarHBondContact O-N 2.91Å; L274-L282 HydrophobicContact CD1-CD1 3.63Å; L274-A285 HydrophobicContact CB-CB 4.21Å; L274-M286 HydrophobicContact CD1-CG 4.05Å; L274-M286 HydrophobicContact CD2-CG 4.17Å; L274-S289 WeakPolarHBondContact CA-OG 3.5Å; L274-T292 HydrophobicContact CD2-CG2 3.53Å; L274-F340 HydrophobicContact CD1-CE1 4.23Å; L274-F340 HydrophobicContact CD1-CZ 3.95Å
275W97.8Very high96.1Very high21 Ų2126 Ų268%0.0813%0.127CC..THydrogen-bonded Turntrans-63130.5-175.2-55.5-15.6000111.3Y277 W280 T288 S289 M290 F376 L420 I465 Y469W275-Y277 PolarHBondContact O-N 3.44Å; W275-W280 WeakPolarHBondContact O-CZ2 3.4Å; W275-W280 PolarHBondContact O-NE1 3.17Å; W275-T288 HydrophobicContact CE3-CG2 4.38Å; W275-S289 PolarHBondContact N-OG 3.44Å; W275-M290 HydrophobicContact CH2-CB 3.64Å; W275-M290 HydrophobicContact CZ2-CB 3.48Å; W275-M290 VanDerWaalsContact CZ2-CB 3.48Å; W275-F376 HydrophobicContact CB-CD2 4.46Å; W275-F376 HydrophobicContact CB-CE2 4.02Å; W275-F376 AromaticContact CD1-CE2 3.46Å; W275-F376 VanDerWaalsContact CD1-CE2 3.46Å; W275-F376 AromaticContact CD1-CZ 3.74Å; W275-F376 HydrophobicContact CD2-CE1 4.49Å; W275-F376 AromaticContact CD2-CE2 3.97Å; W275-F376 HydrophobicContact CD2-CE2 3.97Å; W275-F376 AromaticContact CD2-CZ 3.7Å; W275-F376 HydrophobicContact CD2-CZ 3.7Å; W275-F376 AromaticContact CE2-CZ 3.54Å; W275-F376 HydrophobicContact CE3-CZ 4.37Å; W275-F376 HydrophobicContact CG-CD2 4.44Å; W275-F376 AromaticContact CG-CE2 3.56Å; W275-F376 HydrophobicContact CG-CE2 3.56Å; W275-F376 AromaticContact CG-CZ 3.82Å; W275-F376 HydrophobicContact CG-CZ 3.82Å; W275-F376 HydrophobicContact CZ2-CZ 4.07Å; W275-F376 AromaticContact NE1-CE2 3.79Å; W275-F376 AromaticContact NE1-CZ 3.57Å; W275-L420 HydrophobicContact CB-CD1 3.91Å; W275-L420 HydrophobicContact CE3-CB 4.49Å; W275-L420 HydrophobicContact CE3-CD1 4.21Å; W275-L420 HydrophobicContact CE3-CD2 3.9Å; W275-L420 HydrophobicContact CE3-CG 4.43Å; W275-L420 HydrophobicContact CZ3-CD2 4.17Å; W275-I465 HydrophobicContact CH2-CG2 4Å; W275-I465 HydrophobicContact CZ2-CG2 4.49Å; W275-Y469 HydrophobicContact CH2-CD1 4.03Å; W275-Y469 HydrophobicContact CH2-CE1 4.14Å; W275-Y469 HydrophobicContact CZ3-CD1 4.34Å; W275-Y469 HydrophobicContact CZ3-CE1 4.07Å
276L97.5Very high96.2Very high0 Ų022.6 Ų22.60%011%0.111CC..THydrogen-bonded Turntrans54.519.8178.3-65.1-179.7000114.8L274 R278 H279 W280 D373 T416 E417 L420L274-L276 PolarHBondContact O-N 3.49Å; L276-R278 PolarHBondContact O-N 2.94Å; L276-H279 HydrophobicContact CB-CB 4.42Å; L276-H279 WeakPolarHBondContact O-CA 3.44Å; L276-H279 PolarHBondContact O-N 3.17Å; L276-W280 HydrophobicContact CB-CD2 4.36Å; L276-W280 HydrophobicContact CB-CG 4.46Å; L276-W280 HydrophobicContact CB-CZ2 4.1Å; L276-W280 HydrophobicContact CD1-CZ2 4.46Å; L276-W280 PolarHBondContact O-N 3.39Å; L276-W280 PolarHBondContact O-NE1 3.38Å; L276-D373 VanDerWaalsContact CA-OD1 3.25Å; L276-D373 WeakPolarHBondContact CA-OD1 3.29Å; L276-D373 HydrophobicContact CD2-CB 3.75Å; L276-D373 PolarHBondContact N-OD1 2.94Å; L276-T416 HydrophobicContact CD1-CG2 3.77Å; L276-T416 HydrophobicContact CD2-CG2 4.48Å; L276-T416 HydrophobicContact CG-CG2 4.48Å; L276-E417 HydrophobicContact CD1-CG 3.99Å; L276-L420 HydrophobicContact CD1-CD1 3.73Å; L276-L420 HydrophobicContact CG-CD1 3.96Å
277Y96.4Very high96.2Very high4 Ų424.1 Ų24.12%0.01612%0.118CC..THydrogen-bonded Turntrans-59.7-23.6-169.581.4-87000113.5L272 L274 W275 H279 Y325L272-Y277 HydrophobicContact CB-CD1 4.41Å; L272-Y277 HydrophobicContact CB-CE1 4.07Å; L272-Y277 HydrophobicContact CD1-CE2 4.33Å; L272-Y277 WeakPolarHBondContact O-CE1 3.47Å; L274-Y277 HydrophobicContact CB-CD1 4.27Å; L274-Y277 HydrophobicContact CB-CG 4.25Å; L274-Y277 VanDerWaalsContact O-CD1 3.25Å; L274-Y277 WeakPolarHBondContact O-CD1 3.38Å; L274-Y277 PolarHBondContact O-N 2.91Å; W275-Y277 PolarHBondContact O-N 3.44Å; Y277-H279 VanDerWaalsContact C-N 3.33Å; Y277-Y325 HydrophobicContact CD2-CD1 4.43Å; Y277-Y325 HydrophobicContact CD2-CD2 4.04Å; Y277-Y325 HydrophobicContact CD2-CE1 4.3Å; Y277-Y325 AromaticContact CD2-CE2 3.9Å; Y277-Y325 HydrophobicContact CD2-CE2 3.9Å; Y277-Y325 HydrophobicContact CD2-CG 4.3Å; Y277-Y325 HydrophobicContact CE2-CE1 4.03Å; Y277-Y325 AromaticContact CE2-CE2 3.97Å; Y277-Y325 HydrophobicContact CE2-CE2 3.97Å; Y277-Y325 AromaticContact CE2-CZ 3.7Å; Y277-Y325 WeakPolarHBondContact O-CB 3.34Å; Y277-Y325 VanDerWaalsContact O-CG 3.23Å
278R96Very high96.3Very high35 Ų3521.9 Ų21.913%0.13211%0.106CC..THydrogen-bonded Turntrans-76.8-18.9175.6-61.7-179.6-175.4-97.87.2113.2E269 L276 Y325 T367E269-R278 IonicContact OE2-NH2 3.92Å; E269-R278 PolarHBondContact OE2-NH2 2.96Å; L276-R278 PolarHBondContact O-N 2.94Å; R278-Y325 HydrophobicContact CB-CD1 4.42Å; R278-Y325 HydrophobicContact CG-CD1 4.43Å; R278-Y325 HydrophobicContact CG-CE1 4.33Å; R278-T367 HydrophobicContact CB-CG2 3.96Å; R278-T367 WeakPolarHBondContact O-CG2 3.31Å
279H96.2Very high96.3Very high19 Ų1919.2 Ų19.29%0.0889%0.094CC..THydrogen-bonded Turntrans-108.1-21.7-168.6-60.7-68.6000114.4L276 Y277 P368 D373 I413L276-H279 HydrophobicContact CB-CB 4.42Å; L276-H279 WeakPolarHBondContact O-CA 3.44Å; L276-H279 PolarHBondContact O-N 3.17Å; Y277-H279 VanDerWaalsContact C-N 3.33Å; H279-P368 PolarHBondContact CE1-O 2.98Å; H279-P368 PolarHBondContact NE2-O 3.37Å; H279-D373 IonicContact CD2-OD2 2.93Å; H279-D373 PolarHBondContact CD2-OD2 3.4Å; H279-D373 IonicContact NE2-OD2 3.23Å; H279-I413 HydrophobicContact CB-CG2 3.84Å
280W96.9Very high96.4Very high2 Ų216.3 Ų16.31%0.0088%0.081CC..SBendtrans-131-163.4172.561.11000111.6W275 L276 E284 T288 Y325 E417 L420 Q421W275-W280 WeakPolarHBondContact O-CZ2 3.4Å; W275-W280 PolarHBondContact O-NE1 3.17Å; L276-W280 HydrophobicContact CB-CD2 4.36Å; L276-W280 HydrophobicContact CB-CG 4.46Å; L276-W280 HydrophobicContact CB-CZ2 4.1Å; L276-W280 HydrophobicContact CD1-CZ2 4.46Å; L276-W280 PolarHBondContact O-N 3.39Å; L276-W280 PolarHBondContact O-NE1 3.38Å; W280-E284 HydrophobicContact CD2-CB 3.78Å; W280-E284 HydrophobicContact CE3-CB 3.81Å; W280-E284 HydrophobicContact CG-CB 4.13Å; W280-E284 HydrophobicContact CZ3-CB 4.36Å; W280-T288 HydrophobicContact CH2-CG2 3.91Å; W280-T288 HydrophobicContact CZ2-CG2 4.42Å; W280-Y325 WeakPolarHBondContact O-CB 3.48Å; W280-Y325 PolarHBondContact O-N 3.41Å; W280-E417 HydrophobicContact CD2-CG 4.03Å; W280-E417 HydrophobicContact CE3-CB 3.64Å; W280-E417 HydrophobicContact CE3-CG 3.36Å; W280-E417 HydrophobicContact CH2-CB 4.46Å; W280-E417 HydrophobicContact CZ3-CB 3.5Å; W280-E417 VanDerWaalsContact CZ3-CB 3.5Å; W280-E417 HydrophobicContact CZ3-CG 3.71Å; W280-L420 HydrophobicContact CH2-CB 4.13Å; W280-L420 HydrophobicContact CH2-CD1 4.31Å; W280-L420 HydrophobicContact CZ2-CD1 4.35Å; W280-Q421 HydrophobicContact CH2-CG 4.43Å; W280-Q421 HydrophobicContact CZ3-CG 4.03Å
281S96.4Very high96.4Very high0 Ų014.7 Ų14.70%07%0.073CC..BIsolated β-bridgetrans-76.4150.3-179.1-1590000112.9K283 E284 A285 C321 A322 Q323S281-K283 PolarHBondContact O-N 2.96Å; S281-E284 WeakPolarHBondContact CB-OE2 3.3Å; S281-E284 PolarHBondContact N-OE2 3.46Å; S281-E284 PolarHBondContact O-N 2.86Å; S281-E284 VanDerWaalsContact O-N 3.14Å; S281-A285 WeakPolarHBondContact O-CB 3.22Å; S281-A285 PolarHBondContact O-N 3.23Å; S281-C321 PolarHBondContact OG-O 2.63Å; S281-A322 WeakPolarHBondContact OG-CA 3.49Å; S281-A322 PolarHBondContact OG-N 3.33Å; S281-Q323 VanDerWaalsContact CA-O 3.24Å; S281-Q323 WeakPolarHBondContact CA-O 3.37Å; S281-Q323 VanDerWaalsContact CB-O 3.25Å; S281-Q323 WeakPolarHBondContact CB-O 3.36Å; S281-Q323 PolarHBondContact OG-N 2.87Å; S281-Q323 PolarHBondContact OG-O 3.47Å
282L95.8Very high96.6Very high0 Ų014.6 Ų14.60%07%0.073CC..Hα-helixtrans-58-36.5173.4-175.463.8000111.4L274 A285 M286 L311 L316 L336 F340L274-L282 HydrophobicContact CD1-CD1 3.63Å; L282-A285 PolarHBondContact O-N 2.8Å; L282-M286 HydrophobicContact CD1-CG 4.41Å; L282-M286 HydrophobicContact CG-SD 4.31Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 3.11Å; L282-M286 PolarHBondContact O-N 3.4Å; L282-L311 HydrophobicContact CD2-CD2 4.08Å; L282-L316 HydrophobicContact CD2-CD1 3.55Å; L282-L336 HydrophobicContact CD1-CD2 4.43Å; L282-L336 HydrophobicContact CD2-CD1 4.14Å; L282-L336 HydrophobicContact CD2-CD2 4.41Å; L282-F340 HydrophobicContact CD1-CE2 4.35Å; L282-F340 HydrophobicContact CD1-CZ 4.17Å; L282-F340 HydrophobicContact CD2-CE2 4.31Å
283K95.6Very high96.6Very high41 Ų4114.5 Ų14.518%0.1787%0.072CC..Hα-helixtrans-60.7-51.5174.2175.6-174.8168.7-64.60111.5S281 A285 M286 E287 M307 Y308 C321S281-K283 PolarHBondContact O-N 2.96Å; K283-A285 VanDerWaalsContact C-N 3.32Å; K283-A285 PolarHBondContact O-N 3.45Å; K283-M286 PolarHBondContact O-N 3.46Å; K283-E287 WeakPolarHBondContact CE-OE1 3.31Å; K283-E287 HydrophobicContact CG-CG 4.41Å; K283-E287 IonicContact NZ-OE1 3.87Å; K283-E287 PolarHBondContact NZ-OE1 3.23Å; K283-E287 IonicContact NZ-OE2 2.64Å; K283-E287 PolarHBondContact NZ-OE2 3.43Å; K283-E287 WeakPolarHBondContact O-CB 3.35Å; K283-E287 VanDerWaalsContact O-CG 3.31Å; K283-E287 WeakPolarHBondContact O-CG 3.36Å; K283-E287 PolarHBondContact O-N 2.86Å; K283-M307 HydrophobicContact CG-CE 4.29Å; K283-Y308 WeakPolarHBondContact CE-OH 3.3Å; K283-C321 WeakPolarHBondContact CB-O 3.39Å; K283-C321 PolarHBondContact N-O 3.23Å
284E96.8Very high96.7Very high52 Ų5213 Ų1324%0.2436%0.061CC..Hα-helixtrans-63.7-39.6179.3-74.497.6-129.900111.9W280 S281 M286 E287 T288W280-E284 HydrophobicContact CD2-CB 3.78Å; W280-E284 HydrophobicContact CE3-CB 3.81Å; W280-E284 HydrophobicContact CG-CB 4.13Å; W280-E284 HydrophobicContact CZ3-CB 4.36Å; S281-E284 WeakPolarHBondContact CB-OE2 3.3Å; S281-E284 PolarHBondContact N-OE2 3.46Å; S281-E284 PolarHBondContact O-N 2.86Å; S281-E284 VanDerWaalsContact O-N 3.14Å; E284-M286 PolarHBondContact O-N 3.19Å; E284-E287 PolarHBondContact O-N 3.06Å; E284-T288 VanDerWaalsContact O-CB 3.29Å; E284-T288 WeakPolarHBondContact O-CB 3.19Å; E284-T288 PolarHBondContact O-N 2.91Å; E284-T288 PolarHBondContact O-OG1 3.48Å
285A97.5Very high96.5Very high0 Ų015.8 Ų15.80%07%0.072CC..Hα-helixtrans-58.7-49175.800000111.2L274 S281 L282 K283 T288 S289L274-A285 HydrophobicContact CB-CB 4.21Å; S281-A285 WeakPolarHBondContact O-CB 3.22Å; S281-A285 PolarHBondContact O-N 3.23Å; L282-A285 PolarHBondContact O-N 2.8Å; K283-A285 VanDerWaalsContact C-N 3.32Å; K283-A285 PolarHBondContact O-N 3.45Å; A285-T288 PolarHBondContact O-N 2.89Å; A285-S289 VanDerWaalsContact O-CB 3.25Å; A285-S289 WeakPolarHBondContact O-CB 3.41Å; A285-S289 PolarHBondContact O-N 2.85Å; A285-S289 PolarHBondContact O-OG 3.49Å
286M96.4Very high96.5Very high0 Ų014.8 Ų14.80%07%0.068CC..Hα-helixtrans-67.8-36178.3-74.1-175.573.100113.3L274 L282 K283 E284 T288 T292 F296 L298 M307 F310 L311 F340L274-M286 HydrophobicContact CD1-CG 4.05Å; L274-M286 HydrophobicContact CD2-CG 4.17Å; L282-M286 HydrophobicContact CD1-CG 4.41Å; L282-M286 HydrophobicContact CG-SD 4.31Å; L282-M286 WeakPolarHBondContact O-CB 3.42Å; L282-M286 WeakPolarHBondContact O-CG 3.11Å; L282-M286 PolarHBondContact O-N 3.4Å; K283-M286 PolarHBondContact O-N 3.46Å; E284-M286 PolarHBondContact O-N 3.19Å; M286-T288 VanDerWaalsContact C-N 3.28Å; M286-T288 PolarHBondContact O-N 3.2Å; M286-T292 WeakPolarHBondContact CA-OG1 3.34Å; M286-T292 WeakPolarHBondContact O-CB 3.26Å; M286-T292 PolarHBondContact O-OG1 3.11Å; M286-F296 HydrophobicContact CE-CD2 4.14Å; M286-F296 HydrophobicContact CE-CE2 3.34Å; M286-F296 HydrophobicContact CE-CZ 3.81Å; M286-L298 WeakPolarHBondContact O-CD1 3.1Å; M286-M307 HydrophobicContact CB-SD 3.89Å; M286-M307 HydrophobicContact CE-CG 3.78Å; M286-M307 HydrophobicContact CE-SD 4.47Å; M286-F310 HydrophobicContact CE-CD1 3.54Å; M286-F310 HydrophobicContact CE-CE1 3.73Å; M286-L311 HydrophobicContact SD-CD2 3.61Å; M286-L311 HydrophobicContact SD-CG 4.34Å; M286-F340 HydrophobicContact SD-CZ 4.06Å
287E96.1Very high96.4Very high40 Ų4018.4 Ų18.419%0.1878%0.084CC..Hα-helixtrans-69.1-28178.3-77.3175.7173.500113.4K283 E284 L298 M307K283-E287 WeakPolarHBondContact CE-OE1 3.31Å; K283-E287 HydrophobicContact CG-CG 4.41Å; K283-E287 IonicContact NZ-OE1 3.87Å; K283-E287 PolarHBondContact NZ-OE1 3.23Å; K283-E287 IonicContact NZ-OE2 2.64Å; K283-E287 PolarHBondContact NZ-OE2 3.43Å; K283-E287 WeakPolarHBondContact O-CB 3.35Å; K283-E287 VanDerWaalsContact O-CG 3.31Å; K283-E287 WeakPolarHBondContact O-CG 3.36Å; K283-E287 PolarHBondContact O-N 2.86Å; E284-E287 PolarHBondContact O-N 3.06Å; E287-L298 HydrophobicContact CB-CD1 4.32Å; E287-L298 HydrophobicContact CG-CD1 4.09Å; E287-M307 HydrophobicContact CG-CE 3.77Å; E287-M307 HydrophobicContact CG-SD 3.83Å
288T97.2Very high96.3Very high7 Ų718.3 Ų18.34%0.0438%0.084CC..Hα-helixtrans-101.2-35.7-173.3-48.60000112.7W275 W280 E284 A285 M286 M290 L420 A424 Y469W275-T288 HydrophobicContact CE3-CG2 4.38Å; W280-T288 HydrophobicContact CH2-CG2 3.91Å; W280-T288 HydrophobicContact CZ2-CG2 4.42Å; E284-T288 VanDerWaalsContact O-CB 3.29Å; E284-T288 WeakPolarHBondContact O-CB 3.19Å; E284-T288 PolarHBondContact O-N 2.91Å; E284-T288 PolarHBondContact O-OG1 3.48Å; A285-T288 PolarHBondContact O-N 2.89Å; M286-T288 VanDerWaalsContact C-N 3.28Å; M286-T288 PolarHBondContact O-N 3.2Å; T288-M290 PolarHBondContact O-N 2.94Å; T288-L420 HydrophobicContact CG2-CB 3.62Å; T288-L420 WeakPolarHBondContact CG2-O 3.41Å; T288-A424 HydrophobicContact CG2-CB 4.14Å; T288-Y469 WeakPolarHBondContact O-CE1 3.26Å; T288-Y469 PolarHBondContact O-OH 3.11Å
289S97.7Very high96Very high0 Ų017.2 Ų17.20%08%0.08CC..SBendtrans-62.9130.9-175.2-57.90000112.4L274 W275 A285 V291 T292 A293L274-S289 WeakPolarHBondContact CA-OG 3.5Å; W275-S289 PolarHBondContact N-OG 3.44Å; A285-S289 VanDerWaalsContact O-CB 3.25Å; A285-S289 WeakPolarHBondContact O-CB 3.41Å; A285-S289 PolarHBondContact O-N 2.85Å; A285-S289 PolarHBondContact O-OG 3.49Å; S289-V291 VanDerWaalsContact C-N 3.31Å; S289-V291 PolarHBondContact O-N 3.27Å; S289-V291 VanDerWaalsContact O-N 3.16Å; S289-T292 WeakPolarHBondContact CB-OG1 3.36Å; S289-T292 PolarHBondContact O-N 2.92Å; S289-T292 PolarHBondContact O-OG1 3.48Å; S289-A293 VanDerWaalsContact O-CB 3.23Å; S289-A293 WeakPolarHBondContact O-CB 3.23Å; S289-A293 PolarHBondContact O-N 3.25Å
290M96.8Very high95.7Very high16 Ų1618.6 Ų18.68%0.0799%0.09CC..Hα-helixtrans-48-49.3-173.6172.7178.666.100113.8W275 T288 S294 K468 Y469 M472W275-M290 HydrophobicContact CH2-CB 3.64Å; W275-M290 HydrophobicContact CZ2-CB 3.48Å; W275-M290 VanDerWaalsContact CZ2-CB 3.48Å; T288-M290 PolarHBondContact O-N 2.94Å; M290-S294 WeakPolarHBondContact O-CB 3.33Å; M290-S294 PolarHBondContact O-N 3.13Å; M290-S294 PolarHBondContact O-OG 3.4Å; M290-K468 HydrophobicContact CE-CG 4.27Å; M290-K468 HydrophobicContact SD-CB 4.13Å; M290-K468 HydrophobicContact SD-CG 3.86Å; M290-Y469 VanDerWaalsContact CA-CE2 3.48Å; M290-Y469 HydrophobicContact CB-CD1 4.28Å; M290-Y469 HydrophobicContact CB-CD2 3.9Å; M290-Y469 HydrophobicContact CB-CE1 4.46Å; M290-Y469 HydrophobicContact CB-CE2 4.11Å; M290-Y469 HydrophobicContact CB-CG 4Å; M290-Y469 HydrophobicContact CG-CD2 3.62Å; M290-Y469 HydrophobicContact CG-CE2 4.19Å; M290-Y469 HydrophobicContact CG-CG 3.89Å; M290-M472 HydrophobicContact CE-CE 3.85Å; M290-M472 HydrophobicContact CE-SD 4.39Å; M290-M472 HydrophobicContact CG-CB 4.36Å; M290-M472 HydrophobicContact CG-CE 4.36Å; M290-M472 HydrophobicContact CG-SD 3.73Å; M290-M472 HydrophobicContact SD-CB 4.46Å; M290-M472 HydrophobicContact SD-CE 4.13Å; M290-M472 HydrophobicContact SD-SD 4.25Å
291V95.9Very high95.1Very high24 Ų2425.8 Ų25.815%0.14512%0.124CC..Hα-helixtrans-68.2-53.5-173.8176.70000111S289 S294 K295 L349 D353 M472S289-V291 VanDerWaalsContact C-N 3.31Å; S289-V291 PolarHBondContact O-N 3.27Å; S289-V291 VanDerWaalsContact O-N 3.16Å; V291-S294 PolarHBondContact O-N 3.39Å; V291-K295 HydrophobicContact CG1-CG 4.25Å; V291-K295 WeakPolarHBondContact O-CB 3.42Å; V291-K295 WeakPolarHBondContact O-CG 3.31Å; V291-K295 PolarHBondContact O-N 2.98Å; V291-L349 HydrophobicContact CG1-CD2 4.07Å; V291-D353 HydrophobicContact CG1-CB 3.81Å; V291-M472 HydrophobicContact CG2-CE 4.48Å; V291-M472 HydrophobicContact CG2-SD 4.22Å
292T96.6Very high94.9Very high4 Ų428 Ų283%0.02515%0.146CC..Hα-helixtrans-65.7-45.5-178.947.10000111.5L274 M286 S289 S294 K295 F296 L349L274-T292 HydrophobicContact CD2-CG2 3.53Å; M286-T292 WeakPolarHBondContact CA-OG1 3.34Å; M286-T292 WeakPolarHBondContact O-CB 3.26Å; M286-T292 PolarHBondContact O-OG1 3.11Å; S289-T292 WeakPolarHBondContact CB-OG1 3.36Å; S289-T292 PolarHBondContact O-N 2.92Å; S289-T292 PolarHBondContact O-OG1 3.48Å; T292-S294 VanDerWaalsContact C-N 3.26Å; T292-S294 PolarHBondContact O-N 3.3Å; T292-K295 PolarHBondContact O-N 3.22Å; T292-F296 HydrophobicContact CG2-CD2 4.49Å; T292-F296 HydrophobicContact CG2-CE2 4.15Å; T292-F296 WeakPolarHBondContact O-CB 3.23Å; T292-F296 WeakPolarHBondContact O-CD2 3.39Å; T292-F296 PolarHBondContact O-N 2.95Å; T292-L349 HydrophobicContact CG2-CD2 4.4Å
293A97.1Very high94.8Very high0 Ų028 Ų280%015%0.147CC..Hα-helixtrans-58.5-40.417800000112.3S289 K297 L298 F299 Y469S289-A293 VanDerWaalsContact O-CB 3.23Å; S289-A293 WeakPolarHBondContact O-CB 3.23Å; S289-A293 PolarHBondContact O-N 3.25Å; A293-K297 WeakPolarHBondContact O-CA 3.48Å; A293-K297 PolarHBondContact O-N 3.06Å; A293-L298 HydrophobicContact CB-CB 4.41Å; A293-L298 HydrophobicContact CB-CD1 4.21Å; A293-L298 PolarHBondContact O-N 2.86Å; A293-F299 HydrophobicContact CB-CZ 3.93Å; A293-Y469 HydrophobicContact CB-CE2 4.06Å; A293-Y469 WeakPolarHBondContact CB-OH 3.48Å
294S95.9Very high94.7Very high1 Ų130.2 Ų30.21%0.00716%0.158CC..Hα-helixtrans-68.5-49.1175.6-59.30000112.5M290 V291 T292 K297 A473 S476M290-S294 WeakPolarHBondContact O-CB 3.33Å; M290-S294 PolarHBondContact O-N 3.13Å; M290-S294 PolarHBondContact O-OG 3.4Å; V291-S294 PolarHBondContact O-N 3.39Å; T292-S294 VanDerWaalsContact C-N 3.26Å; T292-S294 PolarHBondContact O-N 3.3Å; S294-K297 PolarHBondContact O-N 2.95Å; S294-A473 PolarHBondContact OG-N 3.05Å; S294-S476 WeakPolarHBondContact O-CB 3.39Å; S294-S476 PolarHBondContact O-OG 3.45Å
295K95Very high94.6Very high65 Ų6535.6 Ų35.628%0.28318%0.176SC..Hα-helixtrans-70.3-37.1-175.2-65.2-80.7-174129.90112.7V291 T292 K297 R306 G348 L349 D353V291-K295 HydrophobicContact CG1-CG 4.25Å; V291-K295 WeakPolarHBondContact O-CB 3.42Å; V291-K295 WeakPolarHBondContact O-CG 3.31Å; V291-K295 PolarHBondContact O-N 2.98Å; T292-K295 PolarHBondContact O-N 3.22Å; K295-K297 VanDerWaalsContact C-N 3.32Å; K295-R306 PolarHBondContact O-NH1 3.37Å; K295-G348 WeakPolarHBondContact CD-O 3.25Å; K295-G348 PolarHBondContact NZ-O 3.43Å; K295-L349 HydrophobicContact CB-CD2 3.92Å; K295-L349 HydrophobicContact CG-CD2 3.86Å; K295-D353 IonicContact NZ-OD1 3.32Å; K295-D353 PolarHBondContact NZ-OD1 3.09Å; K295-D353 IonicContact NZ-OD2 2.93Å; K295-D353 PolarHBondContact NZ-OD2 3.45Å
296F96.3Very high94.5Very high1 Ų139.4 Ų39.40%0.00419%0.19CC..Hα-helixtrans-78.6-15.7172.1-70.3-68000113M286 T292 L298 G303 R306 M307 F310 Y347 L349M286-F296 HydrophobicContact CE-CD2 4.14Å; M286-F296 HydrophobicContact CE-CE2 3.34Å; M286-F296 HydrophobicContact CE-CZ 3.81Å; T292-F296 HydrophobicContact CG2-CD2 4.49Å; T292-F296 HydrophobicContact CG2-CE2 4.15Å; T292-F296 WeakPolarHBondContact O-CB 3.23Å; T292-F296 WeakPolarHBondContact O-CD2 3.39Å; T292-F296 PolarHBondContact O-N 2.95Å; F296-L298 HydrophobicContact CB-CD1 4.38Å; F296-L298 HydrophobicContact CB-CD2 3.73Å; F296-L298 HydrophobicContact CB-CG 3.8Å; F296-G303 WeakPolarHBondContact O-CA 3.35Å; F296-R306 HydrophobicContact CD1-CG 4.2Å; F296-M307 HydrophobicContact CB-CB 4.27Å; F296-M307 HydrophobicContact CD1-CB 4.03Å; F296-M307 HydrophobicContact CD2-CB 4.38Å; F296-M307 HydrophobicContact CD2-CG 4.23Å; F296-M307 HydrophobicContact CE1-CB 4.5Å; F296-M307 HydrophobicContact CE2-CG 4.47Å; F296-M307 HydrophobicContact CG-CB 3.98Å; F296-M307 HydrophobicContact CG-CG 4.34Å; F296-F310 HydrophobicContact CE1-CB 3.71Å; F296-F310 HydrophobicContact CE1-CD1 4.28Å; F296-F310 AromaticContact CE1-CG 4Å; F296-F310 HydrophobicContact CE1-CG 4Å; F296-F310 HydrophobicContact CE2-CD1 4.34Å; F296-F310 HydrophobicContact CZ-CB 3.87Å; F296-F310 AromaticContact CZ-CD1 3.54Å; F296-F310 HydrophobicContact CZ-CD1 3.54Å; F296-F310 HydrophobicContact CZ-CD2 4.36Å; F296-F310 HydrophobicContact CZ-CE1 4.08Å; F296-F310 AromaticContact CZ-CG 3.66Å; F296-F310 HydrophobicContact CZ-CG 3.66Å; F296-Y347 HydrophobicContact CD1-CD1 4.17Å; F296-Y347 AromaticContact CE1-CD1 3.5Å; F296-Y347 HydrophobicContact CE1-CD1 3.5Å; F296-Y347 VanDerWaalsContact CE1-CD1 3.5Å; F296-Y347 HydrophobicContact CE1-CE1 4.19Å; F296-Y347 AromaticContact CE1-CG 3.94Å; F296-Y347 HydrophobicContact CE1-CG 3.94Å; F296-Y347 HydrophobicContact CZ-CD1 4.45Å; F296-L349 HydrophobicContact CE2-CD1 3.77Å; F296-L349 HydrophobicContact CZ-CD1 3.71Å
297K95.3Very high94.5Very high76 Ų7639.4 Ų39.433%0.3319%0.19SC..THydrogen-bonded Turntrans62.248.6-177-48.3-174-171.8-158.40112.2A293 S294 K295 F299 T300 G303 S476 M477A293-K297 WeakPolarHBondContact O-CA 3.48Å; A293-K297 PolarHBondContact O-N 3.06Å; S294-K297 PolarHBondContact O-N 2.95Å; K295-K297 VanDerWaalsContact C-N 3.32Å; K297-F299 PolarHBondContact O-N 3.31Å; K297-T300 PolarHBondContact O-N 2.7Å; K297-T300 PolarHBondContact O-OG1 3.35Å; K297-G303 WeakPolarHBondContact O-CA 3.41Å; K297-S476 WeakPolarHBondContact CE-O 3.22Å; K297-S476 PolarHBondContact NZ-O 3.23Å; K297-M477 HydrophobicContact CB-SD 3.85Å; K297-M477 HydrophobicContact CD-SD 3.98Å; K297-M477 HydrophobicContact CG-SD 4.13Å
298L95Very high94.4Very high2 Ų240.9 Ų40.91%0.0120%0.195CC..THydrogen-bonded Turntrans-69.33.4-175.1-60.6-177.8000114.8M286 E287 A293 F296 G303 M307 R428M286-L298 WeakPolarHBondContact O-CD1 3.1Å; E287-L298 HydrophobicContact CB-CD1 4.32Å; E287-L298 HydrophobicContact CG-CD1 4.09Å; A293-L298 HydrophobicContact CB-CB 4.41Å; A293-L298 HydrophobicContact CB-CD1 4.21Å; A293-L298 PolarHBondContact O-N 2.86Å; F296-L298 HydrophobicContact CB-CD1 4.38Å; F296-L298 HydrophobicContact CB-CD2 3.73Å; F296-L298 HydrophobicContact CB-CG 3.8Å; L298-G303 WeakPolarHBondContact CD2-O 3.32Å; L298-M307 HydrophobicContact CD1-SD 3.65Å; L298-M307 HydrophobicContact CD2-CB 3.81Å; L298-M307 HydrophobicContact CD2-CG 4.42Å; L298-M307 HydrophobicContact CD2-SD 4Å; L298-R428 PolarHBondContact O-NH2 2.99Å; L298-R428 VanDerWaalsContact O-NH2 3.13Å
299F90.1Very high94.3Very high11 Ų1145.8 Ų45.85%0.04822%0.217CC..THydrogen-bonded Turntrans-84.81.9167.1-37.2-68.8000111.8A293 K297 V427 R428 L431 Y469 A473A293-F299 HydrophobicContact CB-CZ 3.93Å; K297-F299 PolarHBondContact O-N 3.31Å; F299-V427 HydrophobicContact CD1-CG1 4.16Å; F299-V427 HydrophobicContact CE1-CB 4.08Å; F299-V427 HydrophobicContact CE1-CG1 3.63Å; F299-V427 HydrophobicContact CE2-CG1 4.32Å; F299-V427 HydrophobicContact CZ-CG1 3.73Å; F299-R428 HydrophobicContact CB-CG 4.37Å; F299-R428 HydrophobicContact CD1-CB 3.9Å; F299-R428 HydrophobicContact CD1-CG 4.49Å; F299-L431 HydrophobicContact CB-CD1 4.11Å; F299-L431 HydrophobicContact CD1-CD1 4.49Å; F299-L431 HydrophobicContact CD2-CD1 3.71Å; F299-L431 HydrophobicContact CE2-CD1 4.32Å; F299-L431 HydrophobicContact CG-CD1 3.81Å; F299-Y469 HydrophobicContact CE1-CE2 4.37Å; F299-Y469 AromaticContact CZ-CE2 3.68Å; F299-Y469 HydrophobicContact CZ-CE2 3.68Å; F299-A473 HydrophobicContact CD2-CB 4.1Å; F299-A473 HydrophobicContact CE2-CB 3.42Å; F299-A473 VanDerWaalsContact CE2-CB 3.42Å; F299-A473 HydrophobicContact CZ-CB 3.83Å
300T89.5Confident94.2Very high49 Ų4945.8 Ų45.830%0.30122%0.217SC..SBendtrans-126.715517767.70000111.4K297 G302 G303 Q304 M477K297-T300 PolarHBondContact O-N 2.7Å; K297-T300 PolarHBondContact O-OG1 3.35Å; T300-G302 VanDerWaalsContact C-N 3.29Å; T300-G302 PolarHBondContact O-N 2.93Å; T300-G303 PolarHBondContact O-N 3.37Å; T300-G303 PolarHBondContact OG1-N 3.16Å; T300-Q304 PolarHBondContact O-N 2.92Å; T300-M477 HydrophobicContact CG2-CE 3.26Å; T300-M477 HydrophobicContact CG2-SD 3.79Å
301E84.3Confident94.1Very high153 Ų15345.3 Ų45.372%0.71522%0.215SC*.Hα-helixtrans-60.4-38.7172.9-64.4-170.4168.700112.5G303 Q304E301-G303 VanDerWaalsContact C-N 3.29Å; E301-G303 PolarHBondContact O-N 2.75Å; E301-Q304 PolarHBondContact O-N 3.48Å
302G92.3Very high94Very high45 Ų4549.3 Ų49.346%0.46424%0.239SC..Hα-helixtrans-64.5-33.3177.600000112.8T300 R305 R306T300-G302 VanDerWaalsContact C-N 3.29Å; T300-G302 PolarHBondContact O-N 2.93Å; G302-R305 PolarHBondContact O-N 2.87Å; G302-R306 PolarHBondContact O-N 3.47Å; G302-R306 VanDerWaalsContact O-N 3.16Å
303G94.6Very high93.8Very high2 Ų251.5 Ų51.52%0.02125%0.249CC..Hα-helixtrans-66.6-39.817900000113.5F296 K297 L298 T300 E301 R305 R306 M307F296-G303 WeakPolarHBondContact O-CA 3.35Å; K297-G303 WeakPolarHBondContact O-CA 3.41Å; L298-G303 WeakPolarHBondContact CD2-O 3.32Å; T300-G303 PolarHBondContact O-N 3.37Å; T300-G303 PolarHBondContact OG1-N 3.16Å; E301-G303 VanDerWaalsContact C-N 3.29Å; E301-G303 PolarHBondContact O-N 2.75Å; G303-R305 VanDerWaalsContact C-N 3.33Å; G303-R305 PolarHBondContact O-N 3.3Å; G303-R306 WeakPolarHBondContact O-CB 3.34Å; G303-R306 PolarHBondContact O-N 2.92Å; G303-M307 PolarHBondContact O-N 3.41Å
304Q93.5Very high93.6Very high87 Ų8751.7 Ų51.741%0.40725%0.25SC..Hα-helixtrans-59.2-45.7175.9-70.4-172.37.400111.4T300 E301 R306 M307 Y308T300-Q304 PolarHBondContact O-N 2.92Å; E301-Q304 PolarHBondContact O-N 3.48Å; Q304-R306 VanDerWaalsContact C-N 3.32Å; Q304-R306 PolarHBondContact O-N 3.12Å; Q304-M307 PolarHBondContact O-N 3.4Å; Q304-Y308 WeakPolarHBondContact O-CD2 3.41Å; Q304-Y308 PolarHBondContact O-N 3.26Å
305R94.8Very high93.4Very high165 Ų16554.2 Ų54.262%0.62328%0.276SS*.Hα-helixtrans-59.1-45.1177.1-63.2-178.2-169159.57.4111.3G302 G303 M307 Y308 E309G302-R305 PolarHBondContact O-N 2.87Å; G303-R305 VanDerWaalsContact C-N 3.33Å; G303-R305 PolarHBondContact O-N 3.3Å; R305-M307 VanDerWaalsContact C-N 3.34Å; R305-M307 PolarHBondContact O-N 3.49Å; R305-Y308 PolarHBondContact O-N 3.16Å; R305-E309 WeakPolarHBondContact O-CG 3.43Å; R305-E309 PolarHBondContact O-N 3.15Å
306R95.5Very high93.1Very high80 Ų8051.6 Ų51.630%0.30227%0.265SS..Hα-helixtrans-61.3-38.6178.5-169.9178.6178.8-142.9-6.1112.9K295 F296 G302 G303 Q304 F310 Y347K295-R306 PolarHBondContact O-NH1 3.37Å; F296-R306 HydrophobicContact CD1-CG 4.2Å; G302-R306 PolarHBondContact O-N 3.47Å; G302-R306 VanDerWaalsContact O-N 3.16Å; G303-R306 WeakPolarHBondContact O-CB 3.34Å; G303-R306 PolarHBondContact O-N 2.92Å; Q304-R306 VanDerWaalsContact C-N 3.32Å; Q304-R306 PolarHBondContact O-N 3.12Å; R306-F310 PolarHBondContact O-N 2.96Å; R306-F310 VanDerWaalsContact O-N 3.16Å; R306-Y347 HydrophobicContact CG-CD1 3.94Å; R306-Y347 HydrophobicContact CG-CE1 3.79Å; R306-Y347 PolarHBondContact NH2-O 3.33Å; R306-Y347 VanDerWaalsContact NH2-O 3.08Å; R306-Y347 WeakPolarHBondContact O-CE1 3.48Å
307M95.4Very high92.9Very high0 Ų054.9 Ų54.90%029%0.286CS..Hα-helixtrans-68.6-41.3175-176.5-165.276.400111.9K283 M286 E287 F296 L298 G303 Q304 R305 E309 F310 L311K283-M307 HydrophobicContact CG-CE 4.29Å; M286-M307 HydrophobicContact CB-SD 3.89Å; M286-M307 HydrophobicContact CE-CG 3.78Å; M286-M307 HydrophobicContact CE-SD 4.47Å; E287-M307 HydrophobicContact CG-CE 3.77Å; E287-M307 HydrophobicContact CG-SD 3.83Å; F296-M307 HydrophobicContact CB-CB 4.27Å; F296-M307 HydrophobicContact CD1-CB 4.03Å; F296-M307 HydrophobicContact CD2-CB 4.38Å; F296-M307 HydrophobicContact CD2-CG 4.23Å; F296-M307 HydrophobicContact CE1-CB 4.5Å; F296-M307 HydrophobicContact CE2-CG 4.47Å; F296-M307 HydrophobicContact CG-CB 3.98Å; F296-M307 HydrophobicContact CG-CG 4.34Å; L298-M307 HydrophobicContact CD1-SD 3.65Å; L298-M307 HydrophobicContact CD2-CB 3.81Å; L298-M307 HydrophobicContact CD2-CG 4.42Å; L298-M307 HydrophobicContact CD2-SD 4Å; G303-M307 PolarHBondContact O-N 3.41Å; Q304-M307 PolarHBondContact O-N 3.4Å; R305-M307 VanDerWaalsContact C-N 3.34Å; R305-M307 PolarHBondContact O-N 3.49Å; M307-E309 VanDerWaalsContact C-N 3.34Å; M307-E309 PolarHBondContact O-N 2.9Å; M307-F310 WeakPolarHBondContact O-CB 3.34Å; M307-F310 PolarHBondContact O-N 2.76Å; M307-F310 VanDerWaalsContact O-N 3.15Å; M307-L311 HydrophobicContact CE-CD1 4.39Å; M307-L311 PolarHBondContact O-N 2.92Å
308Y93.9Very high92.7Very high71 Ų7160.4 Ų60.428%0.27831%0.305SS..Hα-helixtrans-63.3-38.9174.4-77.4-64.5000112.5K283 Q304 R305 F310 L311 V312K283-Y308 WeakPolarHBondContact CE-OH 3.3Å; Q304-Y308 WeakPolarHBondContact O-CD2 3.41Å; Q304-Y308 PolarHBondContact O-N 3.26Å; R305-Y308 PolarHBondContact O-N 3.16Å; Y308-F310 VanDerWaalsContact C-N 3.26Å; Y308-F310 PolarHBondContact O-N 3.34Å; Y308-L311 HydrophobicContact CD1-CD1 4.15Å; Y308-L311 PolarHBondContact O-N 2.86Å; Y308-V312 WeakPolarHBondContact O-CG2 3.41Å; Y308-V312 PolarHBondContact O-N 2.97Å
309E94.9Very high92.6Very high110 Ų11069.6 Ų69.651%0.51434%0.339SS..Hα-helixtrans-60-37172.7-72.7169.8-173.300112.3R305 M307 V312 Q313R305-E309 WeakPolarHBondContact O-CG 3.43Å; R305-E309 PolarHBondContact O-N 3.15Å; M307-E309 VanDerWaalsContact C-N 3.34Å; M307-E309 PolarHBondContact O-N 2.9Å; E309-V312 PolarHBondContact O-N 3.38Å; E309-Q313 PolarHBondContact O-N 2.96Å; E309-Q313 VanDerWaalsContact O-N 3.07Å
310F95.9Very high92.8Very high0 Ų070.7 Ų70.70%035%0.345CS..Hα-helixtrans-66.5-48.1174.1176.3-108.4000111.5M286 F296 R306 M307 Y308 V312 Q313 L314 F340 Y347 L349M286-F310 HydrophobicContact CE-CD1 3.54Å; M286-F310 HydrophobicContact CE-CE1 3.73Å; F296-F310 HydrophobicContact CE1-CB 3.71Å; F296-F310 HydrophobicContact CE1-CD1 4.28Å; F296-F310 AromaticContact CE1-CG 4Å; F296-F310 HydrophobicContact CE1-CG 4Å; F296-F310 HydrophobicContact CE2-CD1 4.34Å; F296-F310 HydrophobicContact CZ-CB 3.87Å; F296-F310 AromaticContact CZ-CD1 3.54Å; F296-F310 HydrophobicContact CZ-CD1 3.54Å; F296-F310 HydrophobicContact CZ-CD2 4.36Å; F296-F310 HydrophobicContact CZ-CE1 4.08Å; F296-F310 AromaticContact CZ-CG 3.66Å; F296-F310 HydrophobicContact CZ-CG 3.66Å; R306-F310 PolarHBondContact O-N 2.96Å; R306-F310 VanDerWaalsContact O-N 3.16Å; M307-F310 WeakPolarHBondContact O-CB 3.34Å; M307-F310 PolarHBondContact O-N 2.76Å; M307-F310 VanDerWaalsContact O-N 3.15Å; Y308-F310 VanDerWaalsContact C-N 3.26Å; Y308-F310 PolarHBondContact O-N 3.34Å; F310-V312 PolarHBondContact O-N 2.71Å; F310-Q313 WeakPolarHBondContact O-CA 3.17Å; F310-Q313 WeakPolarHBondContact O-CB 3.45Å; F310-Q313 PolarHBondContact O-N 2.96Å; F310-L314 HydrophobicContact CD1-CD1 4.11Å; F310-L314 HydrophobicContact CD1-CG 4.4Å; F310-L314 HydrophobicContact CE1-CD1 3.68Å; F310-L314 HydrophobicContact CE1-CD2 4.23Å; F310-L314 HydrophobicContact CE1-CG 4.13Å; F310-L314 HydrophobicContact CE2-CD2 4Å; F310-L314 HydrophobicContact CE2-CG 4.46Å; F310-L314 HydrophobicContact CZ-CD1 4.09Å; F310-L314 HydrophobicContact CZ-CD2 3.78Å; F310-L314 HydrophobicContact CZ-CG 4.18Å; F310-L314 WeakPolarHBondContact O-CG 3.45Å; F310-L314 PolarHBondContact O-N 3.4Å; F310-F340 AromaticContact CE1-CD1 3.97Å; F310-F340 HydrophobicContact CE1-CD1 3.97Å; F310-F340 AromaticContact CE1-CE1 3.61Å; F310-F340 HydrophobicContact CE1-CE1 3.61Å; F310-F340 HydrophobicContact CE1-CZ 4.04Å; F310-F340 AromaticContact CZ-CD1 3.8Å; F310-F340 HydrophobicContact CZ-CD1 3.8Å; F310-F340 AromaticContact CZ-CE1 3.96Å; F310-F340 HydrophobicContact CZ-CE1 3.96Å; F310-F340 HydrophobicContact CZ-CG 4.38Å; F310-Y347 HydrophobicContact CB-CD1 4.22Å; F310-Y347 HydrophobicContact CB-CD2 4.37Å; F310-Y347 HydrophobicContact CB-CE1 3.89Å; F310-Y347 HydrophobicContact CB-CE2 4.08Å; F310-Y347 HydrophobicContact CB-CG 4.43Å; F310-Y347 AromaticContact CD2-CD2 3.43Å; F310-Y347 HydrophobicContact CD2-CD2 3.43Å; F310-Y347 VanDerWaalsContact CD2-CD2 3.43Å; F310-Y347 AromaticContact CD2-CE2 3.59Å; F310-Y347 HydrophobicContact CD2-CE2 3.59Å; F310-Y347 AromaticContact CD2-CG 3.98Å; F310-Y347 HydrophobicContact CD2-CG 3.98Å; F310-Y347 HydrophobicContact CE2-CD2 4.11Å; F310-Y347 HydrophobicContact CG-CD2 4.27Å; F310-Y347 HydrophobicContact CG-CE2 4.31Å; F310-Y347 HydrophobicContact CG-CG 4.48Å; F310-L349 HydrophobicContact CZ-CD1 4.48Å
311L94.2Very high93Very high6 Ų668.5 Ų68.53%0.03133%0.331CS..Hα-helixtrans-56.3-37.1175.5-69.7174.9000112.4L282 M286 M307 Y308 L314 L316 C321L282-L311 HydrophobicContact CD2-CD2 4.08Å; M286-L311 HydrophobicContact SD-CD2 3.61Å; M286-L311 HydrophobicContact SD-CG 4.34Å; M307-L311 HydrophobicContact CE-CD1 4.39Å; M307-L311 PolarHBondContact O-N 2.92Å; Y308-L311 HydrophobicContact CD1-CD1 4.15Å; Y308-L311 PolarHBondContact O-N 2.86Å; L311-L314 HydrophobicContact CD2-CD1 4.3Å; L311-L314 PolarHBondContact O-N 3.11Å; L311-L316 HydrophobicContact CD2-CD1 4.47Å; L311-L316 PolarHBondContact O-N 3.45Å; L311-C321 HydrophobicContact CD1-CB 4.11Å
312V93.1Very high93.4Very high108 Ų10863.9 Ų63.966%0.65532%0.319SS*.Hα-helixtrans-66.7-39173.9171.30000111.7Y308 E309 F310 L314 G315Y308-V312 WeakPolarHBondContact O-CG2 3.41Å; Y308-V312 PolarHBondContact O-N 2.97Å; E309-V312 PolarHBondContact O-N 3.38Å; F310-V312 PolarHBondContact O-N 2.71Å; V312-L314 VanDerWaalsContact C-N 3.32Å; V312-L314 PolarHBondContact O-N 3.2Å; V312-G315 PolarHBondContact O-N 3.45Å
313Q92.9Very high93.6Very high49 Ų4964 Ų6423%0.22931%0.307CS..Hα-helixtrans-66.6-32.1175.9-78.8176.139.500113.1E309 F310 G315 Y343 K346 Y347E309-Q313 PolarHBondContact O-N 2.96Å; E309-Q313 VanDerWaalsContact O-N 3.07Å; F310-Q313 WeakPolarHBondContact O-CA 3.17Å; F310-Q313 WeakPolarHBondContact O-CB 3.45Å; F310-Q313 PolarHBondContact O-N 2.96Å; Q313-G315 PolarHBondContact O-N 2.89Å; Q313-G315 VanDerWaalsContact O-N 3.13Å; Q313-Y343 HydrophobicContact CB-CD1 3.99Å; Q313-Y343 HydrophobicContact CB-CE1 4.31Å; Q313-Y343 HydrophobicContact CB-CG 4.15Å; Q313-Y343 WeakPolarHBondContact O-CE2 3.24Å; Q313-K346 VanDerWaalsContact CD-NZ 3.33Å; Q313-Y347 PolarHBondContact NE2-OH 3.12Å
314L93.2Very high93.7Very high5 Ų567.9 Ų67.93%0.02633%0.328CS..THydrogen-bonded Turntrans-66.8-5.7171.4-57.8-179000113.1F310 L311 V312 L316 Q339 F340 Y343F310-L314 HydrophobicContact CD1-CD1 4.11Å; F310-L314 HydrophobicContact CD1-CG 4.4Å; F310-L314 HydrophobicContact CE1-CD1 3.68Å; F310-L314 HydrophobicContact CE1-CD2 4.23Å; F310-L314 HydrophobicContact CE1-CG 4.13Å; F310-L314 HydrophobicContact CE2-CD2 4Å; F310-L314 HydrophobicContact CE2-CG 4.46Å; F310-L314 HydrophobicContact CZ-CD1 4.09Å; F310-L314 HydrophobicContact CZ-CD2 3.78Å; F310-L314 HydrophobicContact CZ-CG 4.18Å; F310-L314 WeakPolarHBondContact O-CG 3.45Å; F310-L314 PolarHBondContact O-N 3.4Å; L311-L314 HydrophobicContact CD2-CD1 4.3Å; L311-L314 PolarHBondContact O-N 3.11Å; V312-L314 VanDerWaalsContact C-N 3.32Å; V312-L314 PolarHBondContact O-N 3.2Å; L314-L316 VanDerWaalsContact C-N 3.25Å; L314-L316 HydrophobicContact CB-CD1 3.9Å; L314-L316 HydrophobicContact CB-CG 3.84Å; L314-L316 HydrophobicContact CD1-CD1 3.85Å; L314-L316 PolarHBondContact O-N 3.4Å; L314-Q339 HydrophobicContact CB-CB 4.34Å; L314-Q339 VanDerWaalsContact CD2-C 3.48Å; L314-Q339 HydrophobicContact CD2-CB 3.73Å; L314-Q339 WeakPolarHBondContact CD2-O 3.32Å; L314-F340 HydrophobicContact CD1-CD2 3.9Å; L314-F340 HydrophobicContact CD1-CE2 3.56Å; L314-F340 HydrophobicContact CD1-CZ 3.96Å; L314-F340 HydrophobicContact CD2-CD2 4.41Å; L314-Y343 HydrophobicContact CD2-CD2 4.06Å
315G91.1Very high93.7Very high53 Ų5364.7 Ų64.755%0.54631%0.312SS..THydrogen-bonded Turntrans72.516.8-177.100000113.7V312 Q313 P317V312-G315 PolarHBondContact O-N 3.45Å; Q313-G315 PolarHBondContact O-N 2.89Å; Q313-G315 VanDerWaalsContact O-N 3.13Å; G315-P317 WeakPolarHBondContact O-CD 3.41Å
316L90.1Very high93.7Very high11 Ų1158.9 Ų58.96%0.05830%0.297CS..  trans-90121.8-175-61.2174.7000111.1L282 L311 L314 C321 M328 L332 L336L282-L316 HydrophobicContact CD2-CD1 3.55Å; L311-L316 HydrophobicContact CD2-CD1 4.47Å; L311-L316 PolarHBondContact O-N 3.45Å; L314-L316 VanDerWaalsContact C-N 3.25Å; L314-L316 HydrophobicContact CB-CD1 3.9Å; L314-L316 HydrophobicContact CB-CG 3.84Å; L314-L316 HydrophobicContact CD1-CD1 3.85Å; L314-L316 PolarHBondContact O-N 3.4Å; L316-C321 WeakPolarHBondContact CB-SG 3.37Å; L316-M328 HydrophobicContact CD2-CE 4.28Å; L316-L332 HydrophobicContact CD2-CB 4.06Å; L316-L332 HydrophobicContact CD2-CD1 4.29Å; L316-L332 HydrophobicContact CD2-CD2 4.22Å; L316-L332 HydrophobicContact CD2-CG 4.43Å; L316-L336 HydrophobicContact CD1-CD1 3.61Å; L316-L336 HydrophobicContact CD2-CD1 4.32Å; L316-L336 HydrophobicContact CG-CD1 4.48Å
317P91.3Very high93.6Very high69 Ų6958.5 Ų58.545%0.44831%0.306SS..  trans-59.7140.2172.7-22.232.7000111.2G315 R319 E320 C321G315-P317 WeakPolarHBondContact O-CD 3.41Å; P317-R319 PolarHBondContact O-N 3.03Å; P317-E320 HydrophobicContact CB-CB 4.48Å; P317-E320 HydrophobicContact CB-CG 4.07Å; P317-E320 HydrophobicContact CG-CG 4.01Å; P317-E320 WeakPolarHBondContact O-CA 3.46Å; P317-E320 WeakPolarHBondContact O-CB 3.42Å; P317-E320 PolarHBondContact O-N 3.07Å; P317-C321 PolarHBondContact O-N 3.07Å; P317-C321 VanDerWaalsContact O-N 3.12Å
318R90.3Very high93.5Very high193 Ų19358.7 Ų58.773%0.72831%0.307SS*.THydrogen-bonded Turntrans-51.4-35.7179.3-177177.6178.8-177.80.8113.5C321 A322R318-C321 PolarHBondContact O-N 3.21Å; R318-A322 WeakPolarHBondContact O-CB 3.36Å; R318-A322 PolarHBondContact O-N 3.44Å
319R93.6Very high93.5Very high195 Ų19559.2 Ų59.274%0.73632%0.315SS*.THydrogen-bonded Turntrans-64.6-41.9177-178.5-180172.9175.1-0.9112P317 C321 A322 Q323P317-R319 PolarHBondContact O-N 3.03Å; R319-C321 VanDerWaalsContact C-N 3.34Å; R319-A322 PolarHBondContact O-N 3.18Å; R319-Q323 PolarHBondContact O-N 2.88Å
320E94.2Very high93.5Very high34 Ų3457.1 Ų57.116%0.15931%0.312CS..G310 helixtrans-65.4-40.9177.5-64.6-69.4138.800110.6P317 A322 Q323 M328 N329 L332P317-E320 HydrophobicContact CB-CB 4.48Å; P317-E320 HydrophobicContact CB-CG 4.07Å; P317-E320 HydrophobicContact CG-CG 4.01Å; P317-E320 WeakPolarHBondContact O-CA 3.46Å; P317-E320 WeakPolarHBondContact O-CB 3.42Å; P317-E320 PolarHBondContact O-N 3.07Å; E320-A322 PolarHBondContact O-N 3.4Å; E320-Q323 PolarHBondContact OE1-NE2 3.09Å; E320-Q323 PolarHBondContact OE2-NE2 3.23Å; E320-M328 HydrophobicContact CB-CE 4.45Å; E320-M328 WeakPolarHBondContact O-CG 3.37Å; E320-M328 VanDerWaalsContact OE2-CA 3.23Å; E320-M328 WeakPolarHBondContact OE2-CA 3.35Å; E320-N329 PolarHBondContact OE2-N 3.49Å; E320-L332 HydrophobicContact CB-CD1 4.24Å; E320-L332 HydrophobicContact CG-CD1 3.7Å
321C93.2Very high93.4Very high3 Ų360.2 Ų60.22%0.0233%0.334CS..G310 helixtrans-70.3-12.7176.9-56.80000114.7S281 K283 L311 L316 P317 R318 R319S281-C321 PolarHBondContact OG-O 2.63Å; K283-C321 WeakPolarHBondContact CB-O 3.39Å; K283-C321 PolarHBondContact N-O 3.23Å; L311-C321 HydrophobicContact CD1-CB 4.11Å; L316-C321 WeakPolarHBondContact CB-SG 3.37Å; P317-C321 PolarHBondContact O-N 3.07Å; P317-C321 VanDerWaalsContact O-N 3.12Å; R318-C321 PolarHBondContact O-N 3.21Å; R319-C321 VanDerWaalsContact C-N 3.34Å
322A94.5Very high93.3Very high55 Ų5561.7 Ų61.746%0.45534%0.341SS..G310 helixtrans-113.5-2.8-174.700000113.5S281 R318 R319 E320S281-A322 WeakPolarHBondContact OG-CA 3.49Å; S281-A322 PolarHBondContact OG-N 3.33Å; R318-A322 WeakPolarHBondContact O-CB 3.36Å; R318-A322 PolarHBondContact O-N 3.44Å; R319-A322 PolarHBondContact O-N 3.18Å; E320-A322 PolarHBondContact O-N 3.4Å
323Q95.4Very high93.3Very high47 Ų4760.2 Ų60.222%0.2232%0.324CS..SBendtrans-100170.7171.569.8-170-3.800110.4S281 R319 E320 Y325 S327 M328S281-Q323 VanDerWaalsContact CA-O 3.24Å; S281-Q323 WeakPolarHBondContact CA-O 3.37Å; S281-Q323 VanDerWaalsContact CB-O 3.25Å; S281-Q323 WeakPolarHBondContact CB-O 3.36Å; S281-Q323 PolarHBondContact OG-N 2.87Å; S281-Q323 PolarHBondContact OG-O 3.47Å; R319-Q323 PolarHBondContact O-N 2.88Å; E320-Q323 PolarHBondContact OE1-NE2 3.09Å; E320-Q323 PolarHBondContact OE2-NE2 3.23Å; Q323-Y325 PolarHBondContact O-N 3.35Å; Q323-S327 PolarHBondContact NE2-O 2.64Å; Q323-M328 HydrophobicContact CG-CG 4.37Å
324L96.2Very high93.3Very high85 Ų8563.9 Ų63.945%0.44535%0.346SS..BIsolated β-bridgetrans-56134.1174.9-66.3175.7000110.4S326 S327 M328L324-S326 PolarHBondContact O-N 2.95Å; L324-S327 CarbonylContact O-C 3.56Å; L324-S327 WeakPolarHBondContact O-CA 3.5Å; L324-S327 WeakPolarHBondContact O-CB 3.44Å; L324-S327 PolarHBondContact O-N 3.38Å; L324-M328 PolarHBondContact O-N 2.91Å
325Y95.2Very high93.3Very high20 Ų2065.5 Ų65.58%0.07836%0.357CS..G310 helixtrans-54.4-41.7177.5175.9-91.7000112.5Y277 R278 W280 Q323 S327 M328 R333 L336Y277-Y325 HydrophobicContact CD2-CD1 4.43Å; Y277-Y325 HydrophobicContact CD2-CD2 4.04Å; Y277-Y325 HydrophobicContact CD2-CE1 4.3Å; Y277-Y325 AromaticContact CD2-CE2 3.9Å; Y277-Y325 HydrophobicContact CD2-CE2 3.9Å; Y277-Y325 HydrophobicContact CD2-CG 4.3Å; Y277-Y325 HydrophobicContact CE2-CE1 4.03Å; Y277-Y325 AromaticContact CE2-CE2 3.97Å; Y277-Y325 HydrophobicContact CE2-CE2 3.97Å; Y277-Y325 AromaticContact CE2-CZ 3.7Å; Y277-Y325 WeakPolarHBondContact O-CB 3.34Å; Y277-Y325 VanDerWaalsContact O-CG 3.23Å; R278-Y325 HydrophobicContact CB-CD1 4.42Å; R278-Y325 HydrophobicContact CG-CD1 4.43Å; R278-Y325 HydrophobicContact CG-CE1 4.33Å; W280-Y325 WeakPolarHBondContact O-CB 3.48Å; W280-Y325 PolarHBondContact O-N 3.41Å; Q323-Y325 PolarHBondContact O-N 3.35Å; Y325-S327 PolarHBondContact O-N 2.87Å; Y325-S327 VanDerWaalsContact O-N 3.09Å; Y325-M328 HydrophobicContact CD2-SD 3.7Å; Y325-M328 HydrophobicContact CE2-SD 4.38Å; Y325-M328 HydrophobicContact CG-SD 4.38Å; Y325-M328 VanDerWaalsContact O-CB 3.29Å; Y325-M328 WeakPolarHBondContact O-CB 3.38Å; Y325-M328 PolarHBondContact O-N 3.09Å; Y325-R333 HydrophobicContact CD2-CG 4.42Å; Y325-R333 HydrophobicContact CE1-CG 4.26Å; Y325-R333 HydrophobicContact CE2-CG 3.82Å; Y325-R333 VanDerWaalsContact O-CD 3.3Å; Y325-R333 WeakPolarHBondContact O-CD 3.39Å; Y325-L336 HydrophobicContact CE2-CD2 3.71Å
326S93Very high93.4Very high43 Ų4363 Ų6330%0.30133%0.331SS..G310 helixtrans-58-24.5175.8580000113.7L324 R333L324-S326 PolarHBondContact O-N 2.95Å; S326-R333 PolarHBondContact O-NH2 3.27Å
327S93.9Very high93.5Very high72 Ų7265.2 Ų65.250%0.50334%0.343SS..G310 helixtrans-94.5-5.5178.3-55.40000113.4Q323 L324 Y325Q323-S327 PolarHBondContact NE2-O 2.64Å; L324-S327 CarbonylContact O-C 3.56Å; L324-S327 WeakPolarHBondContact O-CA 3.5Å; L324-S327 WeakPolarHBondContact O-CB 3.44Å; L324-S327 PolarHBondContact O-N 3.38Å; Y325-S327 PolarHBondContact O-N 2.87Å; Y325-S327 VanDerWaalsContact O-N 3.09Å
328M94.3Very high93.7Very high4 Ų468.4 Ų68.42%0.0235%0.352CS..SBendtrans-65.4149.6174.5-70.7175.561.200111.4L316 E320 Q323 L324 Y325 S330 L332 R333L316-M328 HydrophobicContact CD2-CE 4.28Å; E320-M328 HydrophobicContact CB-CE 4.45Å; E320-M328 WeakPolarHBondContact O-CG 3.37Å; E320-M328 VanDerWaalsContact OE2-CA 3.23Å; E320-M328 WeakPolarHBondContact OE2-CA 3.35Å; Q323-M328 HydrophobicContact CG-CG 4.37Å; L324-M328 PolarHBondContact O-N 2.91Å; Y325-M328 HydrophobicContact CD2-SD 3.7Å; Y325-M328 HydrophobicContact CE2-SD 4.38Å; Y325-M328 HydrophobicContact CG-SD 4.38Å; Y325-M328 VanDerWaalsContact O-CB 3.29Å; Y325-M328 WeakPolarHBondContact O-CB 3.38Å; Y325-M328 PolarHBondContact O-N 3.09Å; M328-S330 PolarHBondContact O-N 3.49Å; M328-L332 HydrophobicContact CE-CB 4.49Å; M328-R333 HydrophobicContact CB-CG 3.84Å; M328-R333 PolarHBondContact O-NE 2.68Å; M328-R333 PolarHBondContact O-NH2 2.86Å
329N93.9Very high93.9Very high81 Ų8161.3 Ų61.343%0.43333%0.327SS..  trans-51.7131.1172.9-171-37.8000110.4E320 S331 L332 R333E320-N329 PolarHBondContact OE2-N 3.49Å; N329-S331 VanDerWaalsContact C-N 3.3Å; N329-S331 PolarHBondContact O-N 3.09Å; N329-S331 PolarHBondContact OD1-N 2.88Å; N329-S331 PolarHBondContact OD1-OG 2.89Å; N329-L332 HydrophobicContact CB-CB 4.4Å; N329-L332 HydrophobicContact CB-CD1 4.06Å; N329-L332 HydrophobicContact CB-CG 4.08Å; N329-L332 PolarHBondContact O-N 2.84Å; N329-L332 VanDerWaalsContact O-N 3.14Å; N329-R333 PolarHBondContact O-N 2.82Å; N329-R333 VanDerWaalsContact O-N 3.1Å
330S93.7Very high93.9Very high67 Ų6752 Ų5247%0.46929%0.292SS..Hα-helixtrans-57.2-42.1-177.754.90000112M328 L332 R333 D334M328-S330 PolarHBondContact O-N 3.49Å; S330-L332 VanDerWaalsContact C-N 3.26Å; S330-L332 PolarHBondContact O-N 3.04Å; S330-R333 WeakPolarHBondContact O-CB 3.42Å; S330-R333 PolarHBondContact O-N 2.92Å; S330-D334 WeakPolarHBondContact O-CB 3.46Å; S330-D334 PolarHBondContact O-N 2.85Å; S330-D334 VanDerWaalsContact O-OD2 3.12Å
331S94Very high93.9Very high64 Ų6454.1 Ų54.145%0.44830%0.304SS..Hα-helixtrans-64-31.1-18064.60000113.4N329 S335N329-S331 VanDerWaalsContact C-N 3.3Å; N329-S331 PolarHBondContact O-N 3.09Å; N329-S331 PolarHBondContact OD1-N 2.88Å; N329-S331 PolarHBondContact OD1-OG 2.89Å; S331-S335 PolarHBondContact O-N 3.19Å; S331-S335 PolarHBondContact O-OG 3.23Å
332L93Very high94Very high37 Ų3759.8 Ų59.819%0.19433%0.33CS..Hα-helixtrans-74.1-36.2174.7-64-179.1000111.4L316 E320 M328 N329 S330 S335 L336L316-L332 HydrophobicContact CD2-CB 4.06Å; L316-L332 HydrophobicContact CD2-CD1 4.29Å; L316-L332 HydrophobicContact CD2-CD2 4.22Å; L316-L332 HydrophobicContact CD2-CG 4.43Å; E320-L332 HydrophobicContact CB-CD1 4.24Å; E320-L332 HydrophobicContact CG-CD1 3.7Å; M328-L332 HydrophobicContact CE-CB 4.49Å; N329-L332 HydrophobicContact CB-CB 4.4Å; N329-L332 HydrophobicContact CB-CD1 4.06Å; N329-L332 HydrophobicContact CB-CG 4.08Å; N329-L332 PolarHBondContact O-N 2.84Å; N329-L332 VanDerWaalsContact O-N 3.14Å; S330-L332 VanDerWaalsContact C-N 3.26Å; S330-L332 PolarHBondContact O-N 3.04Å; L332-S335 PolarHBondContact O-OG 2.87Å; L332-L336 WeakPolarHBondContact O-CB 3.4Å; L332-L336 PolarHBondContact O-N 2.94Å
333R93.5Very high94.1Very high77 Ų7760.4 Ų60.429%0.29132%0.321SS..Hα-helixtrans-67.5-43.3174.3-72.8-169.8-83.2164.5-4.2111.9Y325 S326 M328 N329 S330 S335 L336Y325-R333 HydrophobicContact CD2-CG 4.42Å; Y325-R333 HydrophobicContact CE1-CG 4.26Å; Y325-R333 HydrophobicContact CE2-CG 3.82Å; Y325-R333 VanDerWaalsContact O-CD 3.3Å; Y325-R333 WeakPolarHBondContact O-CD 3.39Å; S326-R333 PolarHBondContact O-NH2 3.27Å; M328-R333 HydrophobicContact CB-CG 3.84Å; M328-R333 PolarHBondContact O-NE 2.68Å; M328-R333 PolarHBondContact O-NH2 2.86Å; N329-R333 PolarHBondContact O-N 2.82Å; N329-R333 VanDerWaalsContact O-N 3.1Å; S330-R333 WeakPolarHBondContact O-CB 3.42Å; S330-R333 PolarHBondContact O-N 2.92Å; R333-S335 VanDerWaalsContact C-N 3.28Å; R333-S335 PolarHBondContact O-N 3.11Å; R333-L336 VanDerWaalsContact O-CB 3.25Å; R333-L336 WeakPolarHBondContact O-CB 3.46Å; R333-L336 PolarHBondContact O-N 2.75Å
334D91.5Very high94Very high127 Ų12758.2 Ų58.268%0.67931%0.311SS*.Hα-helixtrans-64.7-34.5-177.7-61.3-23.3000111.7S330S330-D334 WeakPolarHBondContact O-CB 3.46Å; S330-D334 PolarHBondContact O-N 2.85Å; S330-D334 VanDerWaalsContact O-OD2 3.12Å
335S93Very high94Very high38 Ų3862.1 Ų62.127%0.26633%0.327SS..Hα-helixtrans-87.3-10.3177.453.80000114.1S331 L332 R333 N337 E338 Q339S331-S335 PolarHBondContact O-N 3.19Å; S331-S335 PolarHBondContact O-OG 3.23Å; L332-S335 PolarHBondContact O-OG 2.87Å; R333-S335 VanDerWaalsContact C-N 3.28Å; R333-S335 PolarHBondContact O-N 3.11Å; S335-N337 PolarHBondContact O-N 3.11Å; S335-E338 PolarHBondContact O-N 3.42Å; S335-Q339 WeakPolarHBondContact O-CG 3.25Å; S335-Q339 PolarHBondContact O-N 2.99Å; S335-Q339 VanDerWaalsContact O-N 3.09Å
336L93.4Very high94Very high1 Ų168 Ų681%0.00535%0.353CS..Hα-helixtrans-57.8-46.5-168.3-168.963.4000112.9L272 L282 L316 Y325 L332 R333 E338 Q339 F340L272-L336 HydrophobicContact CD1-CD2 3.74Å; L272-L336 HydrophobicContact CD1-CG 4.11Å; L282-L336 HydrophobicContact CD1-CD2 4.43Å; L282-L336 HydrophobicContact CD2-CD1 4.14Å; L282-L336 HydrophobicContact CD2-CD2 4.41Å; L316-L336 HydrophobicContact CD1-CD1 3.61Å; L316-L336 HydrophobicContact CD2-CD1 4.32Å; L316-L336 HydrophobicContact CG-CD1 4.48Å; Y325-L336 HydrophobicContact CE2-CD2 3.71Å; L332-L336 WeakPolarHBondContact O-CB 3.4Å; L332-L336 PolarHBondContact O-N 2.94Å; R333-L336 VanDerWaalsContact O-CB 3.25Å; R333-L336 WeakPolarHBondContact O-CB 3.46Å; R333-L336 PolarHBondContact O-N 2.75Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3.27Å; L336-Q339 PolarHBondContact O-N 3.33Å; L336-F340 HydrophobicContact CD1-CD2 3.82Å; L336-F340 HydrophobicContact CD1-CE2 3.62Å; L336-F340 HydrophobicContact CD2-CE2 4.23Å; L336-F340 HydrophobicContact CG-CD2 3.76Å; L336-F340 HydrophobicContact CG-CE2 3.77Å; L336-F340 WeakPolarHBondContact O-CD2 3.41Å; L336-F340 PolarHBondContact O-N 3.13Å
337N93.4Very high94Very high57 Ų5766.4 Ų66.431%0.30534%0.34SS..Hα-helixtrans-62.4-42.3-177.5-70.61.9000111.6L272 S335 Q339 F340 L341 F355L272-N337 WeakPolarHBondContact CD1-OD1 3.39Å; L272-N337 WeakPolarHBondContact CG-OD1 3.48Å; S335-N337 PolarHBondContact O-N 3.11Å; N337-Q339 VanDerWaalsContact C-N 3.34Å; N337-Q339 PolarHBondContact O-N 3.44Å; N337-F340 PolarHBondContact O-N 3.08Å; N337-L341 PolarHBondContact O-N 3.02Å; N337-F355 HydrophobicContact CB-CE1 3.83Å; N337-F355 HydrophobicContact CB-CZ 4.06Å; N337-F355 WeakPolarHBondContact O-CZ 3.38Å
338E93.8Very high94Very high137 Ų13764.9 Ų64.964%0.6434%0.336SS*.Hα-helixtrans-62.6-43.1176.3-62.3-176.716800111.1S335 L336 L341 Q342S335-E338 PolarHBondContact O-N 3.42Å; L336-E338 VanDerWaalsContact C-N 3.34Å; L336-E338 PolarHBondContact O-N 3.27Å; E338-L341 PolarHBondContact O-N 3.01Å; E338-Q342 WeakPolarHBondContact O-CB 3.42Å; E338-Q342 PolarHBondContact O-N 3.38Å
339Q94.5Very high94.1Very high43 Ų4364.9 Ų64.920%0.20134%0.336CS..Hα-helixtrans-64-43.9177.7-62.4-56.6-63.500111.8L314 S335 L336 N337 L341 Q342 Y343L314-Q339 HydrophobicContact CB-CB 4.34Å; L314-Q339 VanDerWaalsContact CD2-C 3.48Å; L314-Q339 HydrophobicContact CD2-CB 3.73Å; L314-Q339 WeakPolarHBondContact CD2-O 3.32Å; S335-Q339 WeakPolarHBondContact O-CG 3.25Å; S335-Q339 PolarHBondContact O-N 2.99Å; S335-Q339 VanDerWaalsContact O-N 3.09Å; L336-Q339 PolarHBondContact O-N 3.33Å; N337-Q339 VanDerWaalsContact C-N 3.34Å; N337-Q339 PolarHBondContact O-N 3.44Å; Q339-L341 VanDerWaalsContact C-N 3.32Å; Q339-L341 PolarHBondContact O-N 3.29Å; Q339-Q342 PolarHBondContact O-N 2.83Å; Q339-Y343 VanDerWaalsContact O-CD2 3.32Å; Q339-Y343 WeakPolarHBondContact O-CD2 3.33Å; Q339-Y343 PolarHBondContact O-N 2.91Å
340F94.9Very high94.1Very high0 Ų063.2 Ų63.20%033%0.331CS..Hα-helixtrans-59.6-43.4176.5-97-93.7000111.8L272 L274 L282 M286 F310 L314 L336 N337 G344 L354 F355L272-F340 HydrophobicContact CD1-CD2 4.36Å; L272-F340 HydrophobicContact CD1-CE2 4.38Å; L272-F340 HydrophobicContact CD2-CB 4.07Å; L272-F340 HydrophobicContact CD2-CD1 4.18Å; L272-F340 HydrophobicContact CD2-CD2 4.22Å; L272-F340 HydrophobicContact CD2-CG 3.9Å; L274-F340 HydrophobicContact CD1-CE1 4.23Å; L274-F340 HydrophobicContact CD1-CZ 3.95Å; L282-F340 HydrophobicContact CD1-CE2 4.35Å; L282-F340 HydrophobicContact CD1-CZ 4.17Å; L282-F340 HydrophobicContact CD2-CE2 4.31Å; M286-F340 HydrophobicContact SD-CZ 4.06Å; F310-F340 AromaticContact CE1-CD1 3.97Å; F310-F340 HydrophobicContact CE1-CD1 3.97Å; F310-F340 AromaticContact CE1-CE1 3.61Å; F310-F340 HydrophobicContact CE1-CE1 3.61Å; F310-F340 HydrophobicContact CE1-CZ 4.04Å; F310-F340 AromaticContact CZ-CD1 3.8Å; F310-F340 HydrophobicContact CZ-CD1 3.8Å; F310-F340 AromaticContact CZ-CE1 3.96Å; F310-F340 HydrophobicContact CZ-CE1 3.96Å; F310-F340 HydrophobicContact CZ-CG 4.38Å; L314-F340 HydrophobicContact CD1-CD2 3.9Å; L314-F340 HydrophobicContact CD1-CE2 3.56Å; L314-F340 HydrophobicContact CD1-CZ 3.96Å; L314-F340 HydrophobicContact CD2-CD2 4.41Å; L336-F340 HydrophobicContact CD1-CD2 3.82Å; L336-F340 HydrophobicContact CD1-CE2 3.62Å; L336-F340 HydrophobicContact CD2-CE2 4.23Å; L336-F340 HydrophobicContact CG-CD2 3.76Å; L336-F340 HydrophobicContact CG-CE2 3.77Å; L336-F340 WeakPolarHBondContact O-CD2 3.41Å; L336-F340 PolarHBondContact O-N 3.13Å; N337-F340 PolarHBondContact O-N 3.08Å; F340-G344 VanDerWaalsContact O-CA 3.28Å; F340-G344 WeakPolarHBondContact O-CA 3.46Å; F340-G344 PolarHBondContact O-N 3.41Å; F340-L354 HydrophobicContact CB-CD1 4.46Å; F340-L354 HydrophobicContact CD1-CD2 3.72Å; F340-L354 HydrophobicContact CE1-CD2 4.32Å; F340-L354 WeakPolarHBondContact O-CD1 3.42Å; F340-F355 HydrophobicContact CB-CZ 4.3Å
341L93.9Very high94.2Very high78 Ų7866.4 Ų66.441%0.40833%0.332SS..Hα-helixtrans-66.1-41.7177.4-173.763.7000111.9N337 E338 Q339 R351 F355N337-L341 PolarHBondContact O-N 3.02Å; E338-L341 PolarHBondContact O-N 3.01Å; Q339-L341 VanDerWaalsContact C-N 3.32Å; Q339-L341 PolarHBondContact O-N 3.29Å; L341-R351 HydrophobicContact CD1-CB 4.16Å; L341-R351 HydrophobicContact CD1-CG 4.14Å; L341-F355 HydrophobicContact CB-CE2 4.2Å; L341-F355 HydrophobicContact CD1-CE2 4.36Å
342Q95.2Very high94.1Very high123 Ų12367.5 Ų67.558%0.57534%0.337SS*.Hα-helixtrans-64.7-41.3-178.8-177.1178.54.800112.8E338 Q339E338-Q342 WeakPolarHBondContact O-CB 3.42Å; E338-Q342 PolarHBondContact O-N 3.38Å; Q339-Q342 PolarHBondContact O-N 2.83Å
343Y95.6Very high94.2Very high68 Ų6867.5 Ų67.527%0.26734%0.337SS..Hα-helixtrans-103.6-15.9-173.5-65.4-72.8000114.2Q313 L314 Q339 E345 K346 Y347Q313-Y343 HydrophobicContact CB-CD1 3.99Å; Q313-Y343 HydrophobicContact CB-CE1 4.31Å; Q313-Y343 HydrophobicContact CB-CG 4.15Å; Q313-Y343 WeakPolarHBondContact O-CE2 3.24Å; L314-Y343 HydrophobicContact CD2-CD2 4.06Å; Q339-Y343 VanDerWaalsContact O-CD2 3.32Å; Q339-Y343 WeakPolarHBondContact O-CD2 3.33Å; Q339-Y343 PolarHBondContact O-N 2.91Å; Y343-E345 PolarHBondContact O-N 3.12Å; Y343-K346 WeakPolarHBondContact O-CB 3.26Å; Y343-K346 PolarHBondContact O-N 3.35Å; Y343-Y347 WeakPolarHBondContact O-CD2 3.4Å
344G95.2Very high94.3Very high0 Ų064.1 Ų64.10%032%0.324CS..Hα-helixtrans-60.1-43.1-172.700000114.5F340 K346 Y347 G348 L349F340-G344 VanDerWaalsContact O-CA 3.28Å; F340-G344 WeakPolarHBondContact O-CA 3.46Å; F340-G344 PolarHBondContact O-N 3.41Å; G344-K346 VanDerWaalsContact C-N 3.27Å; G344-K346 PolarHBondContact O-N 3.44Å; G344-Y347 CarbonylContact O-C 3.15Å; G344-Y347 WeakPolarHBondContact O-CA 3.44Å; G344-Y347 PolarHBondContact O-N 3.48Å; G344-G348 PolarHBondContact O-N 3.49Å; G344-L349 CarbonylContact C-O 3.6Å; G344-L349 WeakPolarHBondContact O-CB 3.14Å; G344-L349 PolarHBondContact O-N 3.11Å
345E94.8Very high94.5Very high167 Ų16758.4 Ų58.478%0.7829%0.294SS*.G310 helixtrans-60-38-175.2-171.3176.4-178.600112.1Y343 Y347 G348 L349Y343-E345 PolarHBondContact O-N 3.12Å; E345-Y347 PolarHBondContact O-N 3.03Å; E345-Y347 VanDerWaalsContact O-N 3.08Å; E345-G348 PolarHBondContact O-N 3.31Å; E345-L349 PolarHBondContact N-O 3.41Å
346K94.6Very high94.7Very high143 Ų14357.2 Ų57.262%0.62228%0.284SS*.G310 helixtrans-57.4-25.5174.4-179.4-179.9173-173.50112.9Q313 Y343 G344Q313-K346 VanDerWaalsContact CD-NZ 3.33Å; Y343-K346 WeakPolarHBondContact O-CB 3.26Å; Y343-K346 PolarHBondContact O-N 3.35Å; G344-K346 VanDerWaalsContact C-N 3.27Å; G344-K346 PolarHBondContact O-N 3.44Å
347Y94.5Very high94.9Very high11 Ų1158.3 Ų58.34%0.04329%0.291CS..G310 helixtrans-100.93.1178.9-70-95.3000113.4F296 R306 F310 Q313 Y343 G344 E345F296-Y347 HydrophobicContact CD1-CD1 4.17Å; F296-Y347 AromaticContact CE1-CD1 3.5Å; F296-Y347 HydrophobicContact CE1-CD1 3.5Å; F296-Y347 VanDerWaalsContact CE1-CD1 3.5Å; F296-Y347 HydrophobicContact CE1-CE1 4.19Å; F296-Y347 AromaticContact CE1-CG 3.94Å; F296-Y347 HydrophobicContact CE1-CG 3.94Å; F296-Y347 HydrophobicContact CZ-CD1 4.45Å; R306-Y347 HydrophobicContact CG-CD1 3.94Å; R306-Y347 HydrophobicContact CG-CE1 3.79Å; R306-Y347 PolarHBondContact NH2-O 3.33Å; R306-Y347 VanDerWaalsContact NH2-O 3.08Å; R306-Y347 WeakPolarHBondContact O-CE1 3.48Å; F310-Y347 HydrophobicContact CB-CD1 4.22Å; F310-Y347 HydrophobicContact CB-CD2 4.37Å; F310-Y347 HydrophobicContact CB-CE1 3.89Å; F310-Y347 HydrophobicContact CB-CE2 4.08Å; F310-Y347 HydrophobicContact CB-CG 4.43Å; F310-Y347 AromaticContact CD2-CD2 3.43Å; F310-Y347 HydrophobicContact CD2-CD2 3.43Å; F310-Y347 VanDerWaalsContact CD2-CD2 3.43Å; F310-Y347 AromaticContact CD2-CE2 3.59Å; F310-Y347 HydrophobicContact CD2-CE2 3.59Å; F310-Y347 AromaticContact CD2-CG 3.98Å; F310-Y347 HydrophobicContact CD2-CG 3.98Å; F310-Y347 HydrophobicContact CE2-CD2 4.11Å; F310-Y347 HydrophobicContact CG-CD2 4.27Å; F310-Y347 HydrophobicContact CG-CE2 4.31Å; F310-Y347 HydrophobicContact CG-CG 4.48Å; Q313-Y347 PolarHBondContact NE2-OH 3.12Å; Y343-Y347 WeakPolarHBondContact O-CD2 3.4Å; G344-Y347 CarbonylContact O-C 3.15Å; G344-Y347 WeakPolarHBondContact O-CA 3.44Å; G344-Y347 PolarHBondContact O-N 3.48Å; E345-Y347 PolarHBondContact O-N 3.03Å; E345-Y347 VanDerWaalsContact O-N 3.08Å
348G93Very high95.1Very high40 Ų4055.6 Ų55.641%0.41228%0.277SS..THydrogen-bonded Turntrans79.820.6-177.500000113.4K295 G344 E345K295-G348 WeakPolarHBondContact CD-O 3.25Å; K295-G348 PolarHBondContact NZ-O 3.43Å; G344-G348 PolarHBondContact O-N 3.49Å; E345-G348 PolarHBondContact O-N 3.31Å
349L95.8Very high95.3Very high3 Ų349 Ų492%0.01625%0.246CC..  trans-98.8103174-64.2164.1000108V291 T292 K295 F296 F310 G344 E345 D353 L354V291-L349 HydrophobicContact CG1-CD2 4.07Å; T292-L349 HydrophobicContact CG2-CD2 4.4Å; K295-L349 HydrophobicContact CB-CD2 3.92Å; K295-L349 HydrophobicContact CG-CD2 3.86Å; F296-L349 HydrophobicContact CE2-CD1 3.77Å; F296-L349 HydrophobicContact CZ-CD1 3.71Å; F310-L349 HydrophobicContact CZ-CD1 4.48Å; G344-L349 CarbonylContact C-O 3.6Å; G344-L349 WeakPolarHBondContact O-CB 3.14Å; G344-L349 PolarHBondContact O-N 3.11Å; E345-L349 PolarHBondContact N-O 3.41Å; L349-D353 HydrophobicContact CD2-CB 4.38Å; L349-L354 HydrophobicContact CB-CD1 4.05Å; L349-L354 HydrophobicContact CB-CD2 3.82Å; L349-L354 HydrophobicContact CB-CG 3.84Å; L349-L354 HydrophobicContact CD1-CD2 3.99Å; L349-L354 HydrophobicContact CD2-CD2 4.29Å; L349-L354 HydrophobicContact CG-CD2 4.26Å
350S94.9Very high95.4Very high46 Ų4647.1 Ų47.132%0.32224%0.237SC..  trans-72.7167.6173.764.70000111.1T352 D353 L354S350-T352 PolarHBondContact O-N 2.96Å; S350-T352 PolarHBondContact OG-OG1 2.88Å; S350-T352 VanDerWaalsContact OG-OG1 3.07Å; S350-D353 WeakPolarHBondContact CB-OD2 3.4Å; S350-D353 PolarHBondContact N-OD2 3.33Å; S350-D353 WeakPolarHBondContact O-CB 3.23Å; S350-D353 PolarHBondContact O-N 3.21Å; S350-D353 VanDerWaalsContact O-N 3.11Å; S350-D353 PolarHBondContact OG-N 3.38Å; S350-D353 PolarHBondContact OG-OD2 3.11Å; S350-L354 WeakPolarHBondContact O-CG 3.4Å; S350-L354 PolarHBondContact O-N 2.92Å; S350-L354 VanDerWaalsContact O-N 3.08Å
351R95.1Very high95.4Very high134 Ų13447.1 Ų47.151%0.50624%0.237SC..Hα-helixtrans-55.4-40.7173.8-174.1-175.6179.192.66.8111.8D270 L341 D353 L354 F355D270-R351 IonicContact OD2-CZ 3.62Å; D270-R351 IonicContact OD2-NE 3.86Å; D270-R351 IonicContact OD2-NH2 2.7Å; D270-R351 PolarHBondContact OD2-NH2 3.18Å; L341-R351 HydrophobicContact CD1-CB 4.16Å; L341-R351 HydrophobicContact CD1-CG 4.14Å; R351-D353 VanDerWaalsContact C-N 3.33Å; R351-L354 PolarHBondContact O-N 3.36Å; R351-F355 HydrophobicContact CG-CD2 4.05Å; R351-F355 PolarHBondContact O-N 3.41Å
352T92.9Very high95.4Very high88 Ų8846.6 Ų46.654%0.5423%0.232SC..Hα-helixtrans-73-24.5-179.850.70000113.2R227 S350R227-T352 PolarHBondContact NH1-O 3.36Å; R227-T352 VanDerWaalsContact NH1-O 3.13Å; S350-T352 PolarHBondContact O-N 2.96Å; S350-T352 PolarHBondContact OG-OG1 2.88Å; S350-T352 VanDerWaalsContact OG-OG1 3.07Å
353D94.3Very high95Very high36 Ų3641.6 Ų41.619%0.19321%0.209CC..Hα-helixtrans-70.8-34.8168.6-70.2-58.2000111.6V291 K295 L349 S350 R351V291-D353 HydrophobicContact CG1-CB 3.81Å; K295-D353 IonicContact NZ-OD1 3.32Å; K295-D353 PolarHBondContact NZ-OD1 3.09Å; K295-D353 IonicContact NZ-OD2 2.93Å; K295-D353 PolarHBondContact NZ-OD2 3.45Å; L349-D353 HydrophobicContact CD2-CB 4.38Å; S350-D353 WeakPolarHBondContact CB-OD2 3.4Å; S350-D353 PolarHBondContact N-OD2 3.33Å; S350-D353 WeakPolarHBondContact O-CB 3.23Å; S350-D353 PolarHBondContact O-N 3.21Å; S350-D353 VanDerWaalsContact O-N 3.11Å; S350-D353 PolarHBondContact OG-N 3.38Å; S350-D353 PolarHBondContact OG-OD2 3.11Å; R351-D353 VanDerWaalsContact C-N 3.33Å
354L95.4Very high94.5Very high6 Ų641.8 Ų41.83%0.03123%0.232CC..Hα-helixtrans-92.3-33-169.2-73.5176000114.5L272 A273 F340 L349 S350 R351L272-L354 CarbonylContact C-O 3.51Å; L272-L354 WeakPolarHBondContact CA-O 3.33Å; A273-L354 PolarHBondContact N-O 3.25Å; F340-L354 HydrophobicContact CB-CD1 4.46Å; F340-L354 HydrophobicContact CD1-CD2 3.72Å; F340-L354 HydrophobicContact CE1-CD2 4.32Å; F340-L354 WeakPolarHBondContact O-CD1 3.42Å; L349-L354 HydrophobicContact CB-CD1 4.05Å; L349-L354 HydrophobicContact CB-CD2 3.82Å; L349-L354 HydrophobicContact CB-CG 3.84Å; L349-L354 HydrophobicContact CD1-CD2 3.99Å; L349-L354 HydrophobicContact CD2-CD2 4.29Å; L349-L354 HydrophobicContact CG-CD2 4.26Å; S350-L354 WeakPolarHBondContact O-CG 3.4Å; S350-L354 PolarHBondContact O-N 2.92Å; S350-L354 VanDerWaalsContact O-N 3.08Å; R351-L354 PolarHBondContact O-N 3.36Å
355F96.8Very high93.9Very high8 Ų853.7 Ų53.74%0.03528%0.279CS..EExtended strand (participates in β ladder)trans-124.9143.9-169.9-64.9-80.9000111.7R227 D270 E271 L272 N337 F340 L341 R351R227-F355 PolarHBondContact NH1-O 3.38Å; R227-F355 PolarHBondContact NH2-O 2.85Å; D270-F355 WeakPolarHBondContact OD1-CB 3.44Å; E271-F355 CarbonylContact O-C 3.53Å; E271-F355 WeakPolarHBondContact O-CA 3.46Å; L272-F355 HydrophobicContact CD2-CD1 4.17Å; L272-F355 HydrophobicContact CD2-CE1 3.52Å; L272-F355 HydrophobicContact CD2-CZ 3.79Å; L272-F355 HydrophobicContact CG-CE1 4.12Å; N337-F355 HydrophobicContact CB-CE1 3.83Å; N337-F355 HydrophobicContact CB-CZ 4.06Å; N337-F355 WeakPolarHBondContact O-CZ 3.38Å; F340-F355 HydrophobicContact CB-CZ 4.3Å; L341-F355 HydrophobicContact CB-CE2 4.2Å; L341-F355 HydrophobicContact CD1-CE2 4.36Å; R351-F355 HydrophobicContact CG-CD2 4.05Å; R351-F355 PolarHBondContact O-N 3.41Å
356L96.4Very high93.6Very high13 Ų1350.5 Ų50.57%0.06826%0.26CS..EExtended strand (participates in β ladder)trans-131.8120.1175-178.569.6000109L220 Y230 E271 A273 S358 V372L220-L356 HydrophobicContact CD2-CD1 3.8Å; L220-L356 HydrophobicContact CD2-CD2 3.89Å; L220-L356 HydrophobicContact CD2-CG 4.5Å; Y230-L356 HydrophobicContact CD1-CD1 4.21Å; Y230-L356 HydrophobicContact CE1-CD1 4.06Å; Y230-L356 HydrophobicContact CE1-CG 4.39Å; E271-L356 WeakPolarHBondContact CG-O 3.46Å; E271-L356 PolarHBondContact N-O 3.21Å; E271-L356 PolarHBondContact O-N 3.37Å; A273-L356 HydrophobicContact CB-CB 4.42Å; L356-S358 PolarHBondContact O-N 3.49Å; L356-V372 HydrophobicContact CD2-CG2 3.7Å
357P97.7Very high93.4Very high23 Ų2346 Ų4615%0.14925%0.245CC..EExtended strand (participates in β ladder)trans-65.6120.3167.627.2-33.4000108.8Y230 I231 L234 F268 E269Y230-P357 WeakPolarHBondContact CE1-O 3.43Å; I231-P357 HydrophobicContact CG1-CG 4.27Å; L234-P357 HydrophobicContact CD1-CB 3.92Å; L234-P357 HydrophobicContact CD1-CG 3.79Å; L234-P357 WeakPolarHBondContact CD1-O 3.37Å; F268-P357 HydrophobicContact CE1-CB 4.35Å; F268-P357 HydrophobicContact CE2-CB 4.35Å; F268-P357 HydrophobicContact CZ-CB 3.73Å; E269-P357 WeakPolarHBondContact O-CA 3.38Å
358S97.3Very high93.4Very high0 Ų047.2 Ų47.20%025%0.253CS..EExtended strand (participates in β ladder)trans-157.1176.3-166.8-173.20000110.6F268 E269 E271 L356F268-S358 WeakPolarHBondContact CA-O 3.33Å; F268-S358 WeakPolarHBondContact CD2-O 3.4Å; E269-S358 PolarHBondContact N-O 3.07Å; E269-S358 PolarHBondContact O-N 3.4Å; E271-S358 WeakPolarHBondContact OE2-CB 3.13Å; E271-S358 PolarHBondContact OE2-OG 2.98Å; L356-S358 PolarHBondContact O-N 3.49Å
359F98.1Very high93.6Very high0 Ų045.3 Ų45.30%023%0.234CC..EExtended strand (participates in β ladder)trans-109.4146.6-176.4-61.1-89.2000111.5I213 L234 L237 Q238 M241 I266 L267 F268 S370 A371I213-F359 HydrophobicContact CB-CD2 4.3Å; I213-F359 HydrophobicContact CD1-CB 4.06Å; I213-F359 HydrophobicContact CD1-CD1 3.64Å; I213-F359 HydrophobicContact CD1-CD2 4.04Å; I213-F359 HydrophobicContact CD1-CE1 4.03Å; I213-F359 HydrophobicContact CD1-CE2 4.38Å; I213-F359 HydrophobicContact CD1-CG 3.65Å; I213-F359 HydrophobicContact CD1-CZ 4.39Å; I213-F359 HydrophobicContact CG1-CD1 4.32Å; I213-F359 HydrophobicContact CG1-CD2 3.86Å; I213-F359 HydrophobicContact CG1-CE1 4.48Å; I213-F359 HydrophobicContact CG1-CE2 4.02Å; I213-F359 HydrophobicContact CG1-CG 4.01Å; I213-F359 HydrophobicContact CG1-CZ 4.35Å; I213-F359 HydrophobicContact CG2-CB 3.64Å; I213-F359 HydrophobicContact CG2-CD2 3.53Å; I213-F359 HydrophobicContact CG2-CE2 4.38Å; I213-F359 HydrophobicContact CG2-CG 3.77Å; L234-F359 HydrophobicContact CD2-CD2 4.4Å; L234-F359 HydrophobicContact CD2-CE2 3.56Å; L234-F359 HydrophobicContact CD2-CZ 4.26Å; L237-F359 HydrophobicContact CB-CE1 4.43Å; L237-F359 HydrophobicContact CB-CE2 4Å; L237-F359 HydrophobicContact CB-CZ 3.56Å; L237-F359 HydrophobicContact CD1-CE2 4.22Å; Q238-F359 HydrophobicContact CB-CE1 4.37Å; Q238-F359 HydrophobicContact CB-CZ 4.33Å; M241-F359 HydrophobicContact SD-CD1 3.96Å; M241-F359 HydrophobicContact SD-CE1 4.03Å; I266-F359 HydrophobicContact CG2-CB 4.07Å; I266-F359 HydrophobicContact CG2-CD1 3.91Å; I266-F359 HydrophobicContact CG2-CG 4.43Å; L267-F359 CarbonylContact O-C 3.58Å; L267-F359 VanDerWaalsContact O-CA 3.22Å; L267-F359 WeakPolarHBondContact O-CA 3.16Å; F268-F359 HydrophobicContact CB-CD1 4.3Å; F268-F359 HydrophobicContact CB-CE1 4.33Å; F268-F359 AromaticContact CD2-CD1 3.88Å; F268-F359 HydrophobicContact CD2-CD1 3.88Å; F268-F359 HydrophobicContact CD2-CD2 4.41Å; F268-F359 AromaticContact CD2-CE1 3.6Å; F268-F359 HydrophobicContact CD2-CE1 3.6Å; F268-F359 HydrophobicContact CD2-CE2 4.18Å; F268-F359 HydrophobicContact CD2-CG 4.27Å; F268-F359 AromaticContact CD2-CZ 3.76Å; F268-F359 HydrophobicContact CD2-CZ 3.76Å; F268-F359 HydrophobicContact CE2-CE1 4.39Å; F268-F359 HydrophobicContact CE2-CE2 4.31Å; F268-F359 HydrophobicContact CE2-CZ 4.09Å; F268-F359 HydrophobicContact CG-CE1 4.4Å; F359-S370 CarbonylContact O-C 3.56Å; F359-S370 WeakPolarHBondContact O-CA 3.4Å; F359-A371 HydrophobicContact CB-CB 4.37Å; F359-A371 PolarHBondContact O-N 3.47Å
360I97Very high93.7Very high3 Ų345.2 Ų45.22%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-131.2130.8178.6-61.9162.2000108.6I266 L267 E269 P368 M369I266-I360 CarbonylContact C-O 3.59Å; I266-I360 WeakPolarHBondContact CA-O 3.34Å; L267-I360 PolarHBondContact N-O 2.94Å; L267-I360 PolarHBondContact O-N 2.91Å; E269-I360 HydrophobicContact CB-CD1 3.97Å; E269-I360 HydrophobicContact CG-CD1 4.01Å; E269-I360 WeakPolarHBondContact OE2-CD1 3.38Å; I360-P368 HydrophobicContact CG2-CB 3.58Å; I360-M369 CarbonylContact C-O 3.56Å; I360-M369 WeakPolarHBondContact CA-O 3.34Å
361V95.5Very high93.8Very high0 Ų043 Ų430%022%0.218CC..EExtended strand (participates in β ladder)trans-98.2131172.867.80000111W210 V264 E265 I266 L363 P368 M369 W404W210-V361 HydrophobicContact CD2-CB 4.17Å; W210-V361 HydrophobicContact CD2-CG1 4.21Å; W210-V361 HydrophobicContact CE3-CB 3.76Å; W210-V361 HydrophobicContact CE3-CG1 4.14Å; W210-V361 HydrophobicContact CH2-CB 3.76Å; W210-V361 HydrophobicContact CH2-CG1 3.38Å; W210-V361 HydrophobicContact CZ2-CB 4.15Å; W210-V361 HydrophobicContact CZ2-CG1 3.43Å; W210-V361 VanDerWaalsContact CZ2-CG1 3.43Å; W210-V361 HydrophobicContact CZ3-CB 3.56Å; W210-V361 HydrophobicContact CZ3-CG1 3.76Å; V264-V361 HydrophobicContact CG1-CG2 3.65Å; E265-V361 WeakPolarHBondContact O-CA 3.45Å; I266-V361 HydrophobicContact CG1-CG2 4.43Å; V361-L363 HydrophobicContact CG1-CD2 3.98Å; V361-L363 HydrophobicContact CG1-CG 4.47Å; V361-L363 HydrophobicContact CG2-CD2 4.34Å; V361-P368 WeakPolarHBondContact O-CA 3.35Å; V361-M369 HydrophobicContact CG1-CB 3.78Å; V361-M369 PolarHBondContact N-O 3.37Å; V361-M369 PolarHBondContact O-N 3.3Å; V361-W404 HydrophobicContact CG2-CE3 4.18Å; V361-W404 HydrophobicContact CG2-CZ3 4.31Å
362H92.7Very high94Very high66 Ų6637.2 Ų37.231%0.30620%0.197SC..EExtended strand (participates in β ladder)trans-78.2136.6170.9-74.8103.6000111.3E265 L267E265-H362 HydrophobicContact CB-CB 4.38Å; E265-H362 PolarHBondContact O-N 3.49Å; L267-H362 WeakPolarHBondContact CD1-CE1 3.46Å; L267-H362 VanDerWaalsContact CG-CE1 3.46Å; L267-H362 WeakPolarHBondContact CG-CE1 3.35Å
363L88.1Confident94.2Very high18 Ų1833.1 Ų33.19%0.09417%0.172CC..EExtended strand (participates in β ladder)trans-118.336.8-175.8-58.6-175.8000112V361 Y365 R366 M369 C403 W404 L409V361-L363 HydrophobicContact CG1-CD2 3.98Å; V361-L363 HydrophobicContact CG1-CG 4.47Å; V361-L363 HydrophobicContact CG2-CD2 4.34Å; L363-Y365 PolarHBondContact O-N 3.4Å; L363-Y365 VanDerWaalsContact O-N 3.16Å; L363-R366 HydrophobicContact CB-CB 3.81Å; L363-R366 PolarHBondContact O-N 3.28Å; L363-R366 VanDerWaalsContact O-N 3.11Å; L363-M369 HydrophobicContact CD1-CB 3.95Å; L363-C403 HydrophobicContact CD1-CB 4.11Å; L363-C403 HydrophobicContact CD2-CB 4.17Å; L363-W404 HydrophobicContact CD2-CB 3.8Å; L363-L409 HydrophobicContact CD1-CD2 4Å
364G83.5Confident94.4Very high72 Ų7231.4 Ų31.474%0.74216%0.163SC*.THydrogen-bonded Turntrans62.1-114-176.800000111.7
365Y83.8Confident94.5Very high251 Ų25131.1 Ų31.198%0.98416%0.161SC*.THydrogen-bonded Turntrans-82-10.4179-58.1-71.4000114.2L363L363-Y365 PolarHBondContact O-N 3.4Å; L363-Y365 VanDerWaalsContact O-N 3.16Å
366R87.4Confident94.6Very high100 Ų10030.8 Ų30.838%0.37716%0.16SC..EExtended strand (participates in β ladder)trans-82.7156.2177.2-64.4-178.7176.7-175.3-4.2110.5L363 S406L363-R366 HydrophobicContact CB-CB 3.81Å; L363-R366 PolarHBondContact O-N 3.28Å; L363-R366 VanDerWaalsContact O-N 3.11Å; R366-S406 PolarHBondContact NH1-O 3.42Å
367T92.1Very high94.7Very high49 Ų4930.1 Ų30.130%0.30116%0.157SC..EExtended strand (participates in β ladder)trans-52.3130.6170.6-550000110R278R278-T367 HydrophobicContact CB-CG2 3.96Å; R278-T367 WeakPolarHBondContact O-CG2 3.31Å
368P94.6Very high94.7Very high35 Ų3529 Ų2923%0.22715%0.15CC..EExtended strand (participates in β ladder)trans-57.3150.9175.5-23.433.2000111.9H279 I360 V361H279-P368 PolarHBondContact CE1-O 2.98Å; H279-P368 PolarHBondContact NE2-O 3.37Å; I360-P368 HydrophobicContact CG2-CB 3.58Å; V361-P368 WeakPolarHBondContact O-CA 3.35Å
369M96.1Very high94.8Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-111.7125.2-178.1-17664.560.600109.7W210 I360 V361 L363 D373 A374 L377 C403 L409 I413W210-M369 WeakPolarHBondContact CH2-O 3.42Å; W210-M369 HydrophobicContact CZ2-CG 4.4Å; I360-M369 CarbonylContact C-O 3.56Å; I360-M369 WeakPolarHBondContact CA-O 3.34Å; V361-M369 HydrophobicContact CG1-CB 3.78Å; V361-M369 PolarHBondContact N-O 3.37Å; V361-M369 PolarHBondContact O-N 3.3Å; L363-M369 HydrophobicContact CD1-CB 3.95Å; M369-D373 HydrophobicContact SD-CB 3.5Å; M369-D373 WeakPolarHBondContact SD-CB 3.3Å; M369-A374 HydrophobicContact CG-CB 4Å; M369-L377 HydrophobicContact CE-CD1 3.32Å; M369-L377 HydrophobicContact SD-CD1 3.4Å; M369-L377 WeakPolarHBondContact SD-CD1 3.44Å; M369-C403 HydrophobicContact CG-CB 4.39Å; M369-L409 HydrophobicContact CE-CD1 4.23Å; M369-I413 HydrophobicContact CE-CD1 4.14Å; M369-I413 HydrophobicContact CE-CG1 4.43Å
370S97.2Very high94.7Very high2 Ų229 Ų291%0.01415%0.15CC..EExtended strand (participates in β ladder)trans-76.9157.3171.173.30000110.9E271 F359 V372 D373 A374E271-S370 WeakPolarHBondContact OE1-CB 3.36Å; F359-S370 CarbonylContact O-C 3.56Å; F359-S370 WeakPolarHBondContact O-CA 3.4Å; S370-V372 PolarHBondContact O-N 3.5Å; S370-D373 PolarHBondContact O-N 3.29Å; S370-D373 VanDerWaalsContact OG-CB 3.25Å; S370-D373 WeakPolarHBondContact OG-CB 3.38Å; S370-D373 PolarHBondContact OG-N 3.32Å; S370-D373 PolarHBondContact OG-OD2 2.9Å; S370-A374 WeakPolarHBondContact O-CB 3.44Å; S370-A374 PolarHBondContact O-N 2.89Å
371A98.2Very high94.7Very high0 Ų028.9 Ų28.90%015%0.149CC..Hα-helixtrans-60.3-38.3174.100000111.2W210 I213 T217 F359 A374 V375W210-A371 HydrophobicContact CH2-CB 4.35Å; W210-A371 HydrophobicContact CZ3-CB 4.45Å; I213-A371 HydrophobicContact CG2-CB 3.62Å; T217-A371 HydrophobicContact CG2-CB 4.13Å; F359-A371 HydrophobicContact CB-CB 4.37Å; F359-A371 PolarHBondContact O-N 3.47Å; A371-A374 PolarHBondContact O-N 3.27Å; A371-V375 WeakPolarHBondContact O-CG2 3.49Å; A371-V375 PolarHBondContact O-N 3.47Å
372V98.1Very high94.8Very high11 Ų1128.9 Ų28.97%0.06715%0.149CC..Hα-helixtrans-60.9-47175.8172.90000111.3T217 I221 L356 S370 A374 V375 F376T217-V372 HydrophobicContact CG2-CG2 3.84Å; I221-V372 HydrophobicContact CD1-CB 4.35Å; I221-V372 HydrophobicContact CD1-CG1 3.68Å; I221-V372 HydrophobicContact CD1-CG2 4.04Å; I221-V372 HydrophobicContact CG1-CG1 4.32Å; L356-V372 HydrophobicContact CD2-CG2 3.7Å; S370-V372 PolarHBondContact O-N 3.5Å; V372-A374 VanDerWaalsContact C-N 3.34Å; V372-A374 PolarHBondContact O-N 3.1Å; V372-V375 WeakPolarHBondContact O-CB 3.44Å; V372-V375 PolarHBondContact O-N 3.18Å; V372-F376 HydrophobicContact CG1-CD2 3.9Å; V372-F376 HydrophobicContact CG1-CE2 3.51Å; V372-F376 VanDerWaalsContact O-CD2 3.26Å; V372-F376 WeakPolarHBondContact O-CD2 3.41Å; V372-F376 PolarHBondContact O-N 2.96Å; V372-F376 VanDerWaalsContact O-N 3.1Å
373D98Very high95.1Very high2 Ų226 Ų261%0.01114%0.135CC..Hα-helixtrans-67.2-37.6-179.7-69.6-15.9000111.1L276 H279 M369 S370 V375 F376 L377L276-D373 VanDerWaalsContact CA-OD1 3.25Å; L276-D373 WeakPolarHBondContact CA-OD1 3.29Å; L276-D373 HydrophobicContact CD2-CB 3.75Å; L276-D373 PolarHBondContact N-OD1 2.94Å; H279-D373 IonicContact CD2-OD2 2.93Å; H279-D373 PolarHBondContact CD2-OD2 3.4Å; H279-D373 IonicContact NE2-OD2 3.23Å; M369-D373 HydrophobicContact SD-CB 3.5Å; M369-D373 WeakPolarHBondContact SD-CB 3.3Å; S370-D373 PolarHBondContact O-N 3.29Å; S370-D373 VanDerWaalsContact OG-CB 3.25Å; S370-D373 WeakPolarHBondContact OG-CB 3.38Å; S370-D373 PolarHBondContact OG-N 3.32Å; S370-D373 PolarHBondContact OG-OD2 2.9Å; D373-V375 VanDerWaalsContact C-N 3.34Å; D373-V375 PolarHBondContact O-N 3.39Å; D373-F376 PolarHBondContact O-N 3.01Å; D373-L377 WeakPolarHBondContact O-CB 3.38Å; D373-L377 WeakPolarHBondContact O-CG 3.49Å; D373-L377 PolarHBondContact O-N 3.13Å
374A98.1Very high95.4Very high0 Ų026.8 Ų26.80%014%0.142CC..Hα-helixtrans-64.1-35.6173.200000113.2W210 V214 M369 S370 A371 V372 T378W210-A374 HydrophobicContact CH2-CB 4.35Å; W210-A374 HydrophobicContact CZ2-CB 3.59Å; V214-A374 HydrophobicContact CG1-CB 4.49Å; V214-A374 HydrophobicContact CG2-CB 3.95Å; M369-A374 HydrophobicContact CG-CB 4Å; S370-A374 WeakPolarHBondContact O-CB 3.44Å; S370-A374 PolarHBondContact O-N 2.89Å; A371-A374 PolarHBondContact O-N 3.27Å; V372-A374 VanDerWaalsContact C-N 3.34Å; V372-A374 PolarHBondContact O-N 3.1Å; A374-T378 WeakPolarHBondContact O-CB 3.4Å; A374-T378 PolarHBondContact O-N 2.83Å; A374-T378 PolarHBondContact O-OG1 3.19Å
375V98.7Very high95.9Very high0 Ų025.9 Ų25.90%012%0.117CC..Hα-helixtrans-62.2-51.3171.3170.40000110.2V28 V214 T217 I221 A371 V372 D373 L377 T378 I379V28-V375 HydrophobicContact CG1-CG2 4.4Å; V28-V375 HydrophobicContact CG2-CG1 4.45Å; V214-V375 HydrophobicContact CG1-CG2 3.88Å; V214-V375 WeakPolarHBondContact O-CG2 3.41Å; T217-V375 HydrophobicContact CG2-CG2 4.05Å; I221-V375 HydrophobicContact CB-CG1 3.93Å; I221-V375 HydrophobicContact CG1-CB 4.47Å; I221-V375 HydrophobicContact CG1-CG1 4.22Å; I221-V375 HydrophobicContact CG2-CG1 3.89Å; A371-V375 WeakPolarHBondContact O-CG2 3.49Å; A371-V375 PolarHBondContact O-N 3.47Å; V372-V375 WeakPolarHBondContact O-CB 3.44Å; V372-V375 PolarHBondContact O-N 3.18Å; D373-V375 VanDerWaalsContact C-N 3.34Å; D373-V375 PolarHBondContact O-N 3.39Å; V375-L377 VanDerWaalsContact C-N 3.31Å; V375-L377 PolarHBondContact O-N 3.23Å; V375-T378 PolarHBondContact O-N 3.42Å; V375-T378 VanDerWaalsContact O-N 3.11Å; V375-I379 HydrophobicContact CG1-CD1 3.74Å; V375-I379 HydrophobicContact CG1-CG1 4.28Å; V375-I379 WeakPolarHBondContact O-CG1 3.32Å; V375-I379 PolarHBondContact O-N 3.49Å
376F98.6Very high96.3Very high1 Ų118.1 Ų18.10%0.0049%0.092CC..Hα-helixtrans-61.7-39.4179.9-72.5-57000112.9I221 W275 V372 D373 T378 S380 T416 L420 I465I221-F376 HydrophobicContact CD1-CZ 4.46Å; I221-F376 HydrophobicContact CG2-CD1 4.14Å; I221-F376 HydrophobicContact CG2-CE1 3.48Å; I221-F376 VanDerWaalsContact CG2-CE1 3.48Å; I221-F376 HydrophobicContact CG2-CE2 4.29Å; I221-F376 HydrophobicContact CG2-CZ 3.57Å; W275-F376 HydrophobicContact CB-CD2 4.46Å; W275-F376 HydrophobicContact CB-CE2 4.02Å; W275-F376 AromaticContact CD1-CE2 3.46Å; W275-F376 VanDerWaalsContact CD1-CE2 3.46Å; W275-F376 AromaticContact CD1-CZ 3.74Å; W275-F376 HydrophobicContact CD2-CE1 4.49Å; W275-F376 AromaticContact CD2-CE2 3.97Å; W275-F376 HydrophobicContact CD2-CE2 3.97Å; W275-F376 AromaticContact CD2-CZ 3.7Å; W275-F376 HydrophobicContact CD2-CZ 3.7Å; W275-F376 AromaticContact CE2-CZ 3.54Å; W275-F376 HydrophobicContact CE3-CZ 4.37Å; W275-F376 HydrophobicContact CG-CD2 4.44Å; W275-F376 AromaticContact CG-CE2 3.56Å; W275-F376 HydrophobicContact CG-CE2 3.56Å; W275-F376 AromaticContact CG-CZ 3.82Å; W275-F376 HydrophobicContact CG-CZ 3.82Å; W275-F376 HydrophobicContact CZ2-CZ 4.07Å; W275-F376 AromaticContact NE1-CE2 3.79Å; W275-F376 AromaticContact NE1-CZ 3.57Å; V372-F376 HydrophobicContact CG1-CD2 3.9Å; V372-F376 HydrophobicContact CG1-CE2 3.51Å; V372-F376 VanDerWaalsContact O-CD2 3.26Å; V372-F376 WeakPolarHBondContact O-CD2 3.41Å; V372-F376 PolarHBondContact O-N 2.96Å; V372-F376 VanDerWaalsContact O-N 3.1Å; D373-F376 PolarHBondContact O-N 3.01Å; F376-T378 VanDerWaalsContact C-N 3.35Å; F376-S380 WeakPolarHBondContact O-CB 3.35Å; F376-S380 PolarHBondContact O-N 3.11Å; F376-S380 PolarHBondContact O-OG 3.33Å; F376-T416 HydrophobicContact CB-CG2 3.74Å; F376-L420 HydrophobicContact CD1-CD2 3.66Å; F376-L420 HydrophobicContact CE1-CD2 3.9Å; F376-L420 HydrophobicContact CG-CD1 4.41Å; F376-L420 HydrophobicContact CG-CD2 4.13Å; F376-I465 HydrophobicContact CD1-CD1 4.45Å; F376-I465 HydrophobicContact CE1-CD1 4.02Å
377L97.8Very high96.5Very high0 Ų019.4 Ų19.40%011%0.107CC..Hα-helixtrans-57.5-47.9172.2-82.8165.2000111.7M369 D373 V375 S380 A381 T400 L409 E412 I413 T416M369-L377 HydrophobicContact CE-CD1 3.32Å; M369-L377 HydrophobicContact SD-CD1 3.4Å; M369-L377 WeakPolarHBondContact SD-CD1 3.44Å; D373-L377 WeakPolarHBondContact O-CB 3.38Å; D373-L377 WeakPolarHBondContact O-CG 3.49Å; D373-L377 PolarHBondContact O-N 3.13Å; V375-L377 VanDerWaalsContact C-N 3.31Å; V375-L377 PolarHBondContact O-N 3.23Å; L377-S380 PolarHBondContact O-N 2.9Å; L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 2.92Å; L377-T400 HydrophobicContact CB-CG2 3.73Å; L377-T400 HydrophobicContact CD2-CG2 4.4Å; L377-L409 HydrophobicContact CD1-CD1 4.25Å; L377-E412 HydrophobicContact CD2-CB 3.92Å; L377-I413 HydrophobicContact CD1-CG1 4.32Å; L377-I413 HydrophobicContact CD2-CB 4.38Å; L377-I413 HydrophobicContact CD2-CG1 3.79Å; L377-T416 WeakPolarHBondContact CA-OG1 3.41Å; L377-T416 WeakPolarHBondContact CD2-OG1 3.42Å
378T98.2Very high96.4Very high0 Ų017.3 Ų17.30%09%0.094CC..Hα-helixtrans-69.3-40.4-177.7-51.90000111.5V28 L31 A374 V375 F376 S380 A381 L382 A397 V401V28-T378 HydrophobicContact CB-CG2 4.43Å; V28-T378 HydrophobicContact CG1-CG2 4.25Å; V28-T378 HydrophobicContact CG2-CG2 3.84Å; L31-T378 HydrophobicContact CD1-CG2 4.31Å; L31-T378 HydrophobicContact CD2-CG2 4.31Å; A374-T378 WeakPolarHBondContact O-CB 3.4Å; A374-T378 PolarHBondContact O-N 2.83Å; A374-T378 PolarHBondContact O-OG1 3.19Å; V375-T378 PolarHBondContact O-N 3.42Å; V375-T378 VanDerWaalsContact O-N 3.11Å; F376-T378 VanDerWaalsContact C-N 3.35Å; T378-S380 VanDerWaalsContact C-N 3.35Å; T378-A381 PolarHBondContact O-N 2.71Å; T378-L382 HydrophobicContact CG2-CD1 4.38Å; T378-L382 WeakPolarHBondContact O-CG 3.5Å; T378-L382 PolarHBondContact O-N 3.37Å; T378-A397 HydrophobicContact CG2-CB 4.22Å; T378-V401 HydrophobicContact CG2-CB 4.33Å
379I98.4Very high96.4Very high0 Ų018 Ų180%010%0.096CC..Hα-helixtrans-60.5-46.2172.9-67.4173.5000110.3V28 T222 V375 A381 L382 E383 Q461 I465V28-I379 HydrophobicContact CG2-CD1 4.48Å; V28-I379 HydrophobicContact CG2-CG1 3.6Å; T222-I379 HydrophobicContact CG2-CD1 4.19Å; V375-I379 HydrophobicContact CG1-CD1 3.74Å; V375-I379 HydrophobicContact CG1-CG1 4.28Å; V375-I379 WeakPolarHBondContact O-CG1 3.32Å; V375-I379 PolarHBondContact O-N 3.49Å; I379-A381 VanDerWaalsContact C-N 3.33Å; I379-A381 PolarHBondContact O-N 3.42Å; I379-L382 PolarHBondContact O-N 3.3Å; I379-L382 VanDerWaalsContact O-N 3.17Å; I379-E383 HydrophobicContact CG2-CG 4.46Å; I379-E383 WeakPolarHBondContact O-CB 3.5Å; I379-E383 PolarHBondContact O-N 3.32Å; I379-Q461 HydrophobicContact CD1-CB 4.08Å; I379-Q461 HydrophobicContact CG1-CB 4.2Å; I379-Q461 HydrophobicContact CG2-CB 4.19Å; I379-I465 HydrophobicContact CD1-CD1 3.74Å
380S97.7Very high96.4Very high0 Ų018.6 Ų18.60%010%0.1CC..Hα-helixtrans-63.7-41.4-179.7-56.40000111.3F376 L377 T378 L382 E383 C384 T416 H419F376-S380 WeakPolarHBondContact O-CB 3.35Å; F376-S380 PolarHBondContact O-N 3.11Å; F376-S380 PolarHBondContact O-OG 3.33Å; L377-S380 PolarHBondContact O-N 2.9Å; T378-S380 VanDerWaalsContact C-N 3.35Å; S380-L382 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 3.43Å; S380-E383 PolarHBondContact O-N 3.44Å; S380-C384 WeakPolarHBondContact O-CB 3.43Å; S380-C384 PolarHBondContact O-N 3.43Å; S380-C384 PolarHBondContact O-SG 3.08Å; S380-T416 WeakPolarHBondContact CB-OG1 3.38Å; S380-T416 WeakPolarHBondContact OG-CG2 3.5Å; S380-T416 PolarHBondContact OG-OG1 3.38Å; S380-H419 PolarHBondContact OG-ND1 3.08Å
381A97Very high96.4Very high0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-61.4-40.1173.500000112.3L377 T378 I379 Y385 N393 V396 A397 T400L377-A381 WeakPolarHBondContact O-CB 3.44Å; L377-A381 PolarHBondContact O-N 2.92Å; T378-A381 PolarHBondContact O-N 2.71Å; I379-A381 VanDerWaalsContact C-N 3.33Å; I379-A381 PolarHBondContact O-N 3.42Å; A381-Y385 WeakPolarHBondContact O-CD2 3.3Å; A381-N393 WeakPolarHBondContact O-CB 3.37Å; A381-V396 HydrophobicContact CB-CG1 4.34Å; A381-A397 HydrophobicContact CB-CB 3.95Å; A381-T400 HydrophobicContact CB-CG2 4.22Å
382L97.5Very high96.3Very high0 Ų026.6 Ų26.60%014%0.141CC..Hα-helixtrans-70.1-37.6176.5-75.9167.9000113P26 V28 L31 T378 I379 S380 P390 N393 F394 A397P26-L382 HydrophobicContact CB-CD2 4.4Å; V28-L382 HydrophobicContact CG2-CD1 4.46Å; L31-L382 HydrophobicContact CD1-CD2 4.27Å; T378-L382 HydrophobicContact CG2-CD1 4.38Å; T378-L382 WeakPolarHBondContact O-CG 3.5Å; T378-L382 PolarHBondContact O-N 3.37Å; I379-L382 PolarHBondContact O-N 3.3Å; I379-L382 VanDerWaalsContact O-N 3.17Å; S380-L382 VanDerWaalsContact C-N 3.34Å; S380-L382 PolarHBondContact O-N 3.43Å; L382-P390 HydrophobicContact CD2-CB 4.39Å; L382-P390 WeakPolarHBondContact O-CA 3.4Å; L382-N393 WeakPolarHBondContact O-CB 3.26Å; L382-N393 PolarHBondContact O-ND2 3.34Å; L382-F394 HydrophobicContact CD2-CD2 4.21Å; L382-A397 HydrophobicContact CD1-CB 4.5Å; L382-A397 HydrophobicContact CD2-CB 3.58Å; L382-A397 HydrophobicContact CG-CB 3.55Å
383E97.2Very high96.3Very high4 Ų426.1 Ų26.12%0.01914%0.138CC..Hα-helixtrans-116.5-12.8-160.2-59.4-175.617000114.7I379 S380 G388 P390 A456 N459 Q461 S462I379-E383 HydrophobicContact CG2-CG 4.46Å; I379-E383 WeakPolarHBondContact O-CB 3.5Å; I379-E383 PolarHBondContact O-N 3.32Å; S380-E383 PolarHBondContact O-N 3.44Å; E383-G388 WeakPolarHBondContact O-CA 3.38Å; E383-P390 HydrophobicContact CG-CG 4.47Å; E383-A456 HydrophobicContact CB-CB 4.05Å; E383-A456 VanDerWaalsContact O-CA 3.25Å; E383-A456 WeakPolarHBondContact O-CA 2.94Å; E383-A456 WeakPolarHBondContact O-CB 3.23Å; E383-N459 HydrophobicContact CB-CB 4.1Å; E383-N459 HydrophobicContact CG-CB 3.61Å; E383-N459 VanDerWaalsContact OE1-CB 3.3Å; E383-N459 WeakPolarHBondContact OE1-CB 3.38Å; E383-N459 WeakPolarHBondContact OE2-CB 3.46Å; E383-Q461 WeakPolarHBondContact OE1-CB 3.36Å; E383-Q461 PolarHBondContact OE1-N 3.16Å; E383-Q461 PolarHBondContact OE1-NE2 3.46Å; E383-Q461 VanDerWaalsContact OE1-NE2 3.1Å; E383-S462 WeakPolarHBondContact OE2-CB 3.26Å; E383-S462 PolarHBondContact OE2-N 3.18Å; E383-S462 PolarHBondContact OE2-OG 2.93Å
384C95.5Very high96.3Very high35 Ų3526.4 Ų26.424%0.23614%0.139CC..SBendtrans-96.9-14.7-176.5-62.20000115.4S380 Q415 H419S380-C384 WeakPolarHBondContact O-CB 3.43Å; S380-C384 PolarHBondContact O-N 3.43Å; S380-C384 PolarHBondContact O-SG 3.08Å; C384-Q415 HydrophobicContact CB-CG 4.15Å; C384-H419 VanDerWaalsContact SG-CG 3.55Å
385Y93.1Very high96.1Very high54 Ų5431.3 Ų31.321%0.21216%0.162CC..SBendtrans-101.7167-179.6-60.1-72.1000111.9A381 N387 G388 N393 V396 E412 Q415A381-Y385 WeakPolarHBondContact O-CD2 3.3Å; Y385-N387 PolarHBondContact O-N 3.39Å; Y385-G388 VanDerWaalsContact O-CA 3.29Å; Y385-G388 WeakPolarHBondContact O-CA 3.46Å; Y385-G388 PolarHBondContact O-N 3.03Å; Y385-N393 WeakPolarHBondContact CB-OD1 3.33Å; Y385-N393 PolarHBondContact O-ND2 3.48Å; Y385-V396 HydrophobicContact CE2-CG1 4.41Å; Y385-E412 WeakPolarHBondContact CE2-OE2 3.16Å; Y385-E412 PolarHBondContact OH-OE1 3.36Å; Y385-E412 PolarHBondContact OH-OE2 2.98Å; Y385-Q415 HydrophobicContact CE1-CG 4.36Å; Y385-Q415 HydrophobicContact CE2-CG 4.48Å
386N93Very high95.9Very high88 Ų8833.9 Ų33.947%0.47118%0.177SC..G310 helixtrans4753.2170.6-60.4-38.4000113.9G388 N389 E392 N393N386-G388 PolarHBondContact O-N 3.33Å; N386-G388 VanDerWaalsContact O-N 3.09Å; N386-N389 WeakPolarHBondContact O-CB 3.4Å; N386-N389 PolarHBondContact O-N 3.4Å; N386-N389 VanDerWaalsContact O-N 3.11Å; N386-E392 HydrophobicContact CB-CB 4.26Å; N386-E392 WeakPolarHBondContact CB-OE2 3.23Å; N386-N393 WeakPolarHBondContact CB-OD1 3.46Å; N386-N393 PolarHBondContact ND2-OD1 3.37Å
387N90.6Very high95.8Very high127 Ų12733.8 Ų33.868%0.67918%0.177SC*.G310 helixtrans56.125.3-176.7-57.6-41.1000114.7Y385 H455Y385-N387 PolarHBondContact O-N 3.39Å; N387-H455 WeakPolarHBondContact O-CB 3.43Å
388G91.4Very high95.7Very high4 Ų433.9 Ų33.94%0.04118%0.177CC..G310 helixtrans68.239.6-176.900000113.2E383 Y385 N386 P390 N459E383-G388 WeakPolarHBondContact O-CA 3.38Å; Y385-G388 VanDerWaalsContact O-CA 3.29Å; Y385-G388 WeakPolarHBondContact O-CA 3.46Å; Y385-G388 PolarHBondContact O-N 3.03Å; N386-G388 PolarHBondContact O-N 3.33Å; N386-G388 VanDerWaalsContact O-N 3.09Å; G388-P390 VanDerWaalsContact O-CD 3.3Å; G388-P390 WeakPolarHBondContact O-CD 3.46Å; G388-N459 PolarHBondContact O-ND2 2.83Å; G388-N459 PolarHBondContact O-OD1 3.38Å
389N94.6Very high95.5Very high49 Ų4937.5 Ų37.526%0.26220%0.197SC..  trans-93.4103.4173.6-174.1-5.9000111.4N386 V391 E392 N393N386-N389 WeakPolarHBondContact O-CB 3.4Å; N386-N389 PolarHBondContact O-N 3.4Å; N386-N389 VanDerWaalsContact O-N 3.11Å; N389-V391 PolarHBondContact O-N 3.06Å; N389-V391 WeakPolarHBondContact OD1-CB 3.45Å; N389-V391 PolarHBondContact OD1-N 3.23Å; N389-V391 VanDerWaalsContact OD1-N 3.16Å; N389-E392 HydrophobicContact CB-CB 4.33Å; N389-E392 HydrophobicContact CB-CG 4.44Å; N389-E392 VanDerWaalsContact ND2-CD 3.29Å; N389-E392 WeakPolarHBondContact ND2-CG 3.35Å; N389-E392 PolarHBondContact ND2-OE1 3.16Å; N389-E392 PolarHBondContact O-N 3.22Å; N389-N393 WeakPolarHBondContact O-CB 3.26Å; N389-N393 PolarHBondContact O-N 2.92Å; N389-N393 PolarHBondContact O-ND2 3.48Å; N389-N393 VanDerWaalsContact O-ND2 3.16Å
390P96.1Very high95.3Very high14 Ų1437.5 Ų37.59%0.09120%0.197CC..Hα-helixtrans-64.2-25.1-177.1-23.136.9000114.3P26 L382 E383 G388 N393 F394 N459P26-P390 HydrophobicContact CB-CB 3.73Å; P26-P390 HydrophobicContact CG-CB 3.76Å; L382-P390 HydrophobicContact CD2-CB 4.39Å; L382-P390 WeakPolarHBondContact O-CA 3.4Å; E383-P390 HydrophobicContact CG-CG 4.47Å; G388-P390 VanDerWaalsContact O-CD 3.3Å; G388-P390 WeakPolarHBondContact O-CD 3.46Å; P390-N393 PolarHBondContact O-N 3.05Å; P390-F394 PolarHBondContact O-N 3.43Å; P390-N459 WeakPolarHBondContact CG-OD1 3.41Å
391V96.9Very high95.1Very high49 Ų4937.5 Ų37.530%0.29720%0.197SC..Hα-helixtrans-66.8-46.5177.9174.50000110.7I52 K54 N389 N393I52-V391 HydrophobicContact CB-CG1 4.22Å; I52-V391 HydrophobicContact CG2-CB 4.47Å; I52-V391 HydrophobicContact CG2-CG2 4.1Å; K54-V391 HydrophobicContact CB-CG2 4.06Å; N389-V391 PolarHBondContact O-N 3.06Å; N389-V391 WeakPolarHBondContact OD1-CB 3.45Å; N389-V391 PolarHBondContact OD1-N 3.23Å; N389-V391 VanDerWaalsContact OD1-N 3.16Å; V391-N393 VanDerWaalsContact C-N 3.28Å; V391-N393 PolarHBondContact O-N 3.31Å
392E96.8Very high94.9Very high121 Ų12137.7 Ų37.757%0.56520%0.198SC*.Hα-helixtrans-70-28.6177.5-72.4172.2-149.900112.1N386 N389N386-E392 HydrophobicContact CB-CB 4.26Å; N386-E392 WeakPolarHBondContact CB-OE2 3.23Å; N389-E392 HydrophobicContact CB-CB 4.33Å; N389-E392 HydrophobicContact CB-CG 4.44Å; N389-E392 VanDerWaalsContact ND2-CD 3.29Å; N389-E392 WeakPolarHBondContact ND2-CG 3.35Å; N389-E392 PolarHBondContact ND2-OE1 3.16Å; N389-E392 PolarHBondContact O-N 3.22Å
393N97.1Very high94.4Very high0 Ų037.7 Ų37.70%020%0.198CC..Hα-helixtrans-88.6-7.6-176.9-66.1-19.5000114.2A381 L382 Y385 N386 N389 P390 V391 Q395 V396 A397A381-N393 WeakPolarHBondContact O-CB 3.37Å; L382-N393 WeakPolarHBondContact O-CB 3.26Å; L382-N393 PolarHBondContact O-ND2 3.34Å; Y385-N393 WeakPolarHBondContact CB-OD1 3.33Å; Y385-N393 PolarHBondContact O-ND2 3.48Å; N386-N393 WeakPolarHBondContact CB-OD1 3.46Å; N386-N393 PolarHBondContact ND2-OD1 3.37Å; N389-N393 WeakPolarHBondContact O-CB 3.26Å; N389-N393 PolarHBondContact O-N 2.92Å; N389-N393 PolarHBondContact O-ND2 3.48Å; N389-N393 VanDerWaalsContact O-ND2 3.16Å; P390-N393 PolarHBondContact O-N 3.05Å; V391-N393 VanDerWaalsContact C-N 3.28Å; V391-N393 PolarHBondContact O-N 3.31Å; N393-Q395 VanDerWaalsContact C-N 3.28Å; N393-Q395 PolarHBondContact O-N 2.82Å; N393-V396 PolarHBondContact O-N 2.58Å; N393-V396 VanDerWaalsContact O-N 3.09Å; N393-A397 PolarHBondContact O-N 3.48Å; N393-A397 VanDerWaalsContact O-N 3.08Å
394F97.5Very high94Very high8 Ų839 Ų394%0.03520%0.203CC..Hα-helixtrans-56.8-39.3-170.8-167.5-99.7000113.2V24 P26 L31 W34 L50 I52 L382 P390 A397 L398V24-F394 HydrophobicContact CG1-CE2 4.17Å; V24-F394 HydrophobicContact CG1-CZ 3.93Å; P26-F394 HydrophobicContact CB-CD2 3.94Å; P26-F394 HydrophobicContact CB-CE2 4.4Å; L31-F394 HydrophobicContact CB-CE2 3.85Å; L31-F394 HydrophobicContact CB-CZ 4.1Å; L31-F394 HydrophobicContact CD1-CD2 4.11Å; L31-F394 HydrophobicContact CD1-CE2 3.94Å; L31-F394 HydrophobicContact CD1-CZ 4.32Å; L31-F394 HydrophobicContact CG-CE2 4.06Å; L31-F394 HydrophobicContact CG-CZ 4.1Å; W34-F394 AromaticContact CD1-CE1 3.8Å; L50-F394 HydrophobicContact CD2-CE1 4.39Å; I52-F394 HydrophobicContact CD1-CD1 3.45Å; I52-F394 VanDerWaalsContact CD1-CD1 3.45Å; I52-F394 HydrophobicContact CD1-CD2 4.04Å; I52-F394 HydrophobicContact CD1-CE1 3.37Å; I52-F394 HydrophobicContact CD1-CE2 3.98Å; I52-F394 HydrophobicContact CD1-CG 3.79Å; I52-F394 HydrophobicContact CD1-CZ 3.66Å; I52-F394 HydrophobicContact CG1-CB 4.15Å; I52-F394 HydrophobicContact CG1-CD1 3.84Å; I52-F394 HydrophobicContact CG1-CD2 4.29Å; I52-F394 HydrophobicContact CG1-CE1 4.27Å; I52-F394 HydrophobicContact CG1-CG 3.83Å; I52-F394 HydrophobicContact CG2-CB 4.48Å; I52-F394 HydrophobicContact CG2-CD2 4Å; I52-F394 HydrophobicContact CG2-CE2 4.48Å; I52-F394 HydrophobicContact CG2-CG 4.26Å; L382-F394 HydrophobicContact CD2-CD2 4.21Å; P390-F394 PolarHBondContact O-N 3.43Å; F394-A397 PolarHBondContact O-N 3.06Å; F394-L398 HydrophobicContact CD1-CD1 3.77Å; F394-L398 HydrophobicContact CD1-CG 4.08Å; F394-L398 HydrophobicContact CE1-CD1 3.67Å; F394-L398 HydrophobicContact CE1-CD2 4.13Å; F394-L398 HydrophobicContact CE1-CG 3.92Å; F394-L398 HydrophobicContact CZ-CD2 4.47Å; F394-L398 WeakPolarHBondContact O-CG 3.37Å; F394-L398 PolarHBondContact O-N 3.36Å
395Q95.1Very high93.5Very high103 Ų10342.4 Ų42.448%0.48122%0.219SC..Hα-helixtrans-67.1-41178.9-179.154.348.300112.6N393 A397 L398 D399N393-Q395 VanDerWaalsContact C-N 3.28Å; N393-Q395 PolarHBondContact O-N 2.82Å; Q395-A397 VanDerWaalsContact C-N 3.3Å; Q395-A397 PolarHBondContact O-N 3.2Å; Q395-L398 WeakPolarHBondContact O-CB 3.36Å; Q395-L398 PolarHBondContact O-N 3.48Å; Q395-D399 PolarHBondContact NE2-OD1 3.11Å; Q395-D399 PolarHBondContact NE2-OD2 2.98Å; Q395-D399 VanDerWaalsContact NE2-OD2 3.12Å; Q395-D399 PolarHBondContact O-N 3.13Å
396V94.4Very high93.1Very high54 Ų5439.9 Ų39.933%0.32721%0.209SC..Hα-helixtrans-62.3-43.9176.2177.80000109.6A381 Y385 N393 L398 D399 T400A381-V396 HydrophobicContact CB-CG1 4.34Å; Y385-V396 HydrophobicContact CE2-CG1 4.41Å; N393-V396 PolarHBondContact O-N 2.58Å; N393-V396 VanDerWaalsContact O-N 3.09Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 2.89Å; V396-D399 PolarHBondContact O-N 3.06Å; V396-D399 VanDerWaalsContact O-N 3.15Å; V396-T400 PolarHBondContact O-N 3.3Å; V396-T400 PolarHBondContact O-OG1 2.85Å; V396-T400 VanDerWaalsContact O-OG1 3.08Å
397A96.7Very high92.7Very high0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-63.6-34.5177.400000113.4L31 T378 A381 L382 N393 F394 Q395 D399 T400 V401L31-A397 HydrophobicContact CD1-CB 3.4Å; T378-A397 HydrophobicContact CG2-CB 4.22Å; A381-A397 HydrophobicContact CB-CB 3.95Å; L382-A397 HydrophobicContact CD1-CB 4.5Å; L382-A397 HydrophobicContact CD2-CB 3.58Å; L382-A397 HydrophobicContact CG-CB 3.55Å; N393-A397 PolarHBondContact O-N 3.48Å; N393-A397 VanDerWaalsContact O-N 3.08Å; F394-A397 PolarHBondContact O-N 3.06Å; Q395-A397 VanDerWaalsContact C-N 3.3Å; Q395-A397 PolarHBondContact O-N 3.2Å; A397-D399 VanDerWaalsContact C-N 3.26Å; A397-D399 PolarHBondContact O-N 3.01Å; A397-T400 PolarHBondContact O-N 2.82Å; A397-V401 PolarHBondContact O-N 2.89Å
398L95.2Very high92.7Very high2 Ų237.2 Ų37.21%0.0121%0.205CC..Hα-helixtrans-62-34.9174.5-78172000112.4L31 R35 F394 Q395 V396 V401L31-L398 HydrophobicContact CD1-CD2 4.22Å; L31-L398 HydrophobicContact CD1-CG 4.16Å; L31-L398 HydrophobicContact CD2-CD2 3.85Å; L31-L398 HydrophobicContact CG-CD2 3.63Å; L31-L398 HydrophobicContact CG-CG 4.12Å; R35-L398 HydrophobicContact CG-CD2 3.62Å; F394-L398 HydrophobicContact CD1-CD1 3.77Å; F394-L398 HydrophobicContact CD1-CG 4.08Å; F394-L398 HydrophobicContact CE1-CD1 3.67Å; F394-L398 HydrophobicContact CE1-CD2 4.13Å; F394-L398 HydrophobicContact CE1-CG 3.92Å; F394-L398 HydrophobicContact CZ-CD2 4.47Å; F394-L398 WeakPolarHBondContact O-CG 3.37Å; F394-L398 PolarHBondContact O-N 3.36Å; Q395-L398 WeakPolarHBondContact O-CB 3.36Å; Q395-L398 PolarHBondContact O-N 3.48Å; V396-L398 VanDerWaalsContact C-N 3.32Å; V396-L398 PolarHBondContact O-N 2.89Å; L398-V401 WeakPolarHBondContact O-CG1 3.45Å
399D92.9Very high92.7Very high75 Ų7537.2 Ų37.240%0.40120%0.204SC..Hα-helixtrans-79.5-36.4178.6-62.8-31.4000110.7Q395 V396 A397 A402Q395-D399 PolarHBondContact NE2-OD1 3.11Å; Q395-D399 PolarHBondContact NE2-OD2 2.98Å; Q395-D399 VanDerWaalsContact NE2-OD2 3.12Å; Q395-D399 PolarHBondContact O-N 3.13Å; V396-D399 PolarHBondContact O-N 3.06Å; V396-D399 VanDerWaalsContact O-N 3.15Å; A397-D399 VanDerWaalsContact C-N 3.26Å; A397-D399 PolarHBondContact O-N 3.01Å; D399-A402 PolarHBondContact O-N 2.91Å
400T94.1Very high92.7Very high0 Ų040.3 Ų40.30%022%0.22CC..Hα-helixtrans-65.4-43178.4-61.50000113.6L377 A381 V396 A397 A402 C403 E412L377-T400 HydrophobicContact CB-CG2 3.73Å; L377-T400 HydrophobicContact CD2-CG2 4.4Å; A381-T400 HydrophobicContact CB-CG2 4.22Å; V396-T400 PolarHBondContact O-N 3.3Å; V396-T400 PolarHBondContact O-OG1 2.85Å; V396-T400 VanDerWaalsContact O-OG1 3.08Å; A397-T400 PolarHBondContact O-N 2.82Å; T400-A402 PolarHBondContact O-N 2.71Å; T400-C403 PolarHBondContact O-N 2.84Å; T400-C403 PolarHBondContact O-SG 2.65Å; T400-C403 VanDerWaalsContact O-SG 3.4Å; T400-E412 HydrophobicContact CG2-CB 4.36Å; T400-E412 HydrophobicContact CG2-CG 4.46Å
401V95Very high92.7Very high0 Ų045.9 Ų45.90%025%0.245CC..SBendtrans-64.7-26179.771.60000112.5L31 R35 W210 Y211 V214 T378 A397 L398 C403L31-V401 HydrophobicContact CD2-CB 4.06Å; L31-V401 HydrophobicContact CD2-CG1 3.47Å; L31-V401 VanDerWaalsContact CD2-CG1 3.47Å; R35-V401 HydrophobicContact CG-CG1 4.3Å; W210-V401 PolarHBondContact NE1-O 2.83Å; W210-V401 VanDerWaalsContact NE1-O 3.12Å; Y211-V401 HydrophobicContact CD1-CG1 4.21Å; Y211-V401 HydrophobicContact CD1-CG2 4.12Å; Y211-V401 HydrophobicContact CE1-CG1 3.87Å; Y211-V401 HydrophobicContact CE1-CG2 4.34Å; V214-V401 HydrophobicContact CB-CG2 4.38Å; V214-V401 HydrophobicContact CG1-CG2 3.91Å; T378-V401 HydrophobicContact CG2-CB 4.33Å; A397-V401 PolarHBondContact O-N 2.89Å; L398-V401 WeakPolarHBondContact O-CG1 3.45Å; V401-C403 PolarHBondContact O-N 3.25Å; V401-C403 VanDerWaalsContact O-N 3.11Å; V401-C403 PolarHBondContact O-SG 3.43Å
402A92Very high92.6Very high4 Ų444 Ų443%0.03323%0.233CC..SBendtrans-85.560.8173.300000110.3Y211 D399 T400 W404 N405 S406Y211-A402 HydrophobicContact CE1-CB 4.49Å; Y211-A402 WeakPolarHBondContact OH-CB 3.18Å; D399-A402 PolarHBondContact O-N 2.91Å; T400-A402 PolarHBondContact O-N 2.71Å; A402-W404 HydrophobicContact CB-CZ2 4.4Å; A402-W404 PolarHBondContact O-N 2.83Å; A402-N405 PolarHBondContact O-N 3.19Å; A402-S406 PolarHBondContact O-N 3.01Å
403C87.7Confident92.6Very high0 Ų038.9 Ų38.90%021%0.21CC..G310 helixtrans-50.8-31.3-165.7-490000114.8L363 M369 T400 V401 N405 L409L363-C403 HydrophobicContact CD1-CB 4.11Å; L363-C403 HydrophobicContact CD2-CB 4.17Å; M369-C403 HydrophobicContact CG-CB 4.39Å; T400-C403 PolarHBondContact O-N 2.84Å; T400-C403 PolarHBondContact O-SG 2.65Å; T400-C403 VanDerWaalsContact O-SG 3.4Å; V401-C403 PolarHBondContact O-N 3.25Å; V401-C403 VanDerWaalsContact O-N 3.11Å; V401-C403 PolarHBondContact O-SG 3.43Å; C403-N405 VanDerWaalsContact C-N 3.31Å; C403-N405 PolarHBondContact O-N 3.16Å; C403-L409 HydrophobicContact CB-CD1 4.39Å
404W88.2Confident92.6Very high31 Ų3144 Ų4412%0.11723%0.232CC..G310 helixtrans-70.7-20.5177.154.988.9000114.7C207 W210 Y211 A262 V264 V361 L363 A402C207-W404 HydrophobicContact CB-CH2 4.15Å; C207-W404 HydrophobicContact CB-CZ2 3.72Å; C207-W404 VanDerWaalsContact SG-CZ2 3.57Å; W210-W404 HydrophobicContact CB-CH2 3.94Å; W210-W404 HydrophobicContact CB-CZ3 4.06Å; W210-W404 AromaticContact CD1-CH2 3.49Å; W210-W404 VanDerWaalsContact CD1-CH2 3.49Å; W210-W404 AromaticContact CD1-CZ3 3.34Å; W210-W404 HydrophobicContact CD2-CZ3 4.28Å; W210-W404 AromaticContact CG-CH2 3.85Å; W210-W404 HydrophobicContact CG-CH2 3.85Å; W210-W404 AromaticContact CG-CZ3 3.62Å; W210-W404 HydrophobicContact CG-CZ3 3.62Å; W210-W404 AromaticContact NE1-CZ3 3.77Å; Y211-W404 HydrophobicContact CE1-CH2 4.34Å; A262-W404 HydrophobicContact CB-CB 4.4Å; V264-W404 HydrophobicContact CG1-CE3 4.03Å; V264-W404 HydrophobicContact CG1-CH2 4.22Å; V264-W404 HydrophobicContact CG1-CZ3 3.85Å; V264-W404 HydrophobicContact CG2-CD2 3.44Å; V264-W404 VanDerWaalsContact CG2-CD2 3.44Å; V264-W404 HydrophobicContact CG2-CE3 3.79Å; V264-W404 HydrophobicContact CG2-CG 3.76Å; V264-W404 HydrophobicContact CG2-CH2 4.33Å; V264-W404 HydrophobicContact CG2-CZ2 4.04Å; V264-W404 HydrophobicContact CG2-CZ3 4.2Å; V361-W404 HydrophobicContact CG2-CE3 4.18Å; V361-W404 HydrophobicContact CG2-CZ3 4.31Å; L363-W404 HydrophobicContact CD2-CB 3.8Å; A402-W404 HydrophobicContact CB-CZ2 4.4Å; A402-W404 PolarHBondContact O-N 2.83Å
405N84.6Confident92.6Very high107 Ų10746.2 Ų46.257%0.57224%0.242SC*.G310 helixtrans-1112.4-177.5-77.8-18000113.4A402 C403 P407A402-N405 PolarHBondContact O-N 3.19Å; C403-N405 VanDerWaalsContact C-N 3.31Å; C403-N405 PolarHBondContact O-N 3.16Å; N405-P407 WeakPolarHBondContact O-CD 3.37Å
406S84.8Confident92.7Very high2 Ų241.3 Ų41.31%0.01422%0.219CC..  trans-85.3112.8-179.7177.90000111.1R366 A402 S408 L409R366-S406 PolarHBondContact NH1-O 3.42Å; A402-S406 PolarHBondContact O-N 3.01Å; S406-S408 VanDerWaalsContact C-N 3.29Å; S406-S408 PolarHBondContact OG-OG 3.14Å; S406-L409 WeakPolarHBondContact O-CB 3.47Å; S406-L409 PolarHBondContact O-N 3.22Å; S406-L409 PolarHBondContact OG-N 3.43Å
407P84.9Confident92.9Very high118 Ų11839.6 Ų39.677%0.76621%0.208SC*.THydrogen-bonded Turntrans-70.9-28.1174.9-15.933000111.9N405 L409N405-P407 WeakPolarHBondContact O-CD 3.37Å; P407-L409 VanDerWaalsContact C-N 3.32Å
408S90.6Very high92.9Very high41 Ų4143.4 Ų43.429%0.28723%0.227SC..THydrogen-bonded Turntrans-88.18.6178.760.10000113.6S406 D410 Q411 E412S406-S408 VanDerWaalsContact C-N 3.29Å; S406-S408 PolarHBondContact OG-OG 3.14Å; S408-D410 VanDerWaalsContact C-N 3.29Å; S408-D410 PolarHBondContact O-N 2.98Å; S408-D410 VanDerWaalsContact O-N 3.11Å; S408-Q411 WeakPolarHBondContact O-CA 3.33Å; S408-Q411 WeakPolarHBondContact O-CB 3.24Å; S408-Q411 PolarHBondContact O-N 2.82Å; S408-E412 PolarHBondContact O-N 2.96Å; S408-E412 PolarHBondContact OG-OE1 2.89Å
409L92.7Very high93Very high4 Ų443.5 Ų43.52%0.02123%0.228CC..Hα-helixtrans-50.2-44.6-171.7-176.466.4000113.7L363 M369 L377 C403 S406 P407 Q411 E412 I413L363-L409 HydrophobicContact CD1-CD2 4Å; M369-L409 HydrophobicContact CE-CD1 4.23Å; L377-L409 HydrophobicContact CD1-CD1 4.25Å; C403-L409 HydrophobicContact CB-CD1 4.39Å; S406-L409 WeakPolarHBondContact O-CB 3.47Å; S406-L409 PolarHBondContact O-N 3.22Å; S406-L409 PolarHBondContact OG-N 3.43Å; P407-L409 VanDerWaalsContact C-N 3.32Å; L409-Q411 VanDerWaalsContact C-N 3.3Å; L409-Q411 PolarHBondContact O-N 2.81Å; L409-E412 PolarHBondContact O-N 3.46Å; L409-I413 HydrophobicContact CD1-CD1 4.43Å; L409-I413 HydrophobicContact CD1-CG1 4.47Å; L409-I413 HydrophobicContact CG-CD1 3.99Å; L409-I413 HydrophobicContact CG-CG1 4.44Å; L409-I413 VanDerWaalsContact O-CG1 3.3Å; L409-I413 WeakPolarHBondContact O-CG1 3.39Å; L409-I413 PolarHBondContact O-N 3.47Å
410D93.5Very high93.2Very high114 Ų11439.9 Ų39.961%0.6121%0.208SC*.Hα-helixtrans-64.4-35.6-180-62.4-36.5000112.2S408 K414S408-D410 VanDerWaalsContact C-N 3.29Å; S408-D410 PolarHBondContact O-N 2.98Å; S408-D410 VanDerWaalsContact O-N 3.11Å; D410-K414 PolarHBondContact O-N 2.88Å; D410-K414 VanDerWaalsContact O-N 3.11Å
411Q95.5Very high93.3Very high131 Ų13143.6 Ų43.661%0.61223%0.226SC*.Hα-helixtrans-69.3-42.1173.8179179.9-11.500111.1S408 L409 I413 K414 Q415S408-Q411 WeakPolarHBondContact O-CA 3.33Å; S408-Q411 WeakPolarHBondContact O-CB 3.24Å; S408-Q411 PolarHBondContact O-N 2.82Å; L409-Q411 VanDerWaalsContact C-N 3.3Å; L409-Q411 PolarHBondContact O-N 2.81Å; Q411-I413 VanDerWaalsContact C-N 3.35Å; Q411-K414 PolarHBondContact O-N 2.88Å; Q411-K414 VanDerWaalsContact O-N 3.16Å; Q411-Q415 PolarHBondContact O-N 2.82Å
412E96.2Very high93.3Very high8 Ų844.6 Ų44.64%0.03723%0.233CC..Hα-helixtrans-65.3-38.5177.6-58.8-48.9145.400112L377 Y385 T400 S408 L409 K414 Q415 T416L377-E412 HydrophobicContact CD2-CB 3.92Å; Y385-E412 WeakPolarHBondContact CE2-OE2 3.16Å; Y385-E412 PolarHBondContact OH-OE1 3.36Å; Y385-E412 PolarHBondContact OH-OE2 2.98Å; T400-E412 HydrophobicContact CG2-CB 4.36Å; T400-E412 HydrophobicContact CG2-CG 4.46Å; S408-E412 PolarHBondContact O-N 2.96Å; S408-E412 PolarHBondContact OG-OE1 2.89Å; L409-E412 PolarHBondContact O-N 3.46Å; E412-K414 VanDerWaalsContact C-N 3.32Å; E412-K414 PolarHBondContact O-N 3.44Å; E412-Q415 PolarHBondContact O-N 2.99Å; E412-T416 WeakPolarHBondContact O-CB 3.46Å; E412-T416 PolarHBondContact O-N 3.07Å; E412-T416 PolarHBondContact O-OG1 2.68Å
413I97Very high93.5Very high15 Ų1544.4 Ų44.48%0.07723%0.231CC..Hα-helixtrans-57.5-48.8170.9-71167.6000109.1H279 M369 L377 L409 Q411 Q415 T416 E417H279-I413 HydrophobicContact CB-CG2 3.84Å; M369-I413 HydrophobicContact CE-CD1 4.14Å; M369-I413 HydrophobicContact CE-CG1 4.43Å; L377-I413 HydrophobicContact CD1-CG1 4.32Å; L377-I413 HydrophobicContact CD2-CB 4.38Å; L377-I413 HydrophobicContact CD2-CG1 3.79Å; L409-I413 HydrophobicContact CD1-CD1 4.43Å; L409-I413 HydrophobicContact CD1-CG1 4.47Å; L409-I413 HydrophobicContact CG-CD1 3.99Å; L409-I413 HydrophobicContact CG-CG1 4.44Å; L409-I413 VanDerWaalsContact O-CG1 3.3Å; L409-I413 WeakPolarHBondContact O-CG1 3.39Å; L409-I413 PolarHBondContact O-N 3.47Å; Q411-I413 VanDerWaalsContact C-N 3.35Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 2.92Å; I413-T416 WeakPolarHBondContact O-CA 3.12Å; I413-T416 WeakPolarHBondContact O-CB 3.33Å; I413-T416 PolarHBondContact O-N 3.22Å; I413-T416 VanDerWaalsContact O-N 3.07Å; I413-E417 WeakPolarHBondContact O-CG 3.26Å; I413-E417 PolarHBondContact O-N 2.79Å
414K97.1Very high93.9Very high107 Ų10744.7 Ų44.747%0.46523%0.234SC..Hα-helixtrans-63.3-39.2-179-171.259.2-175.2174.40113.1D410 Q411 E412 T416 E417 I418D410-K414 PolarHBondContact O-N 2.88Å; D410-K414 VanDerWaalsContact O-N 3.11Å; Q411-K414 PolarHBondContact O-N 2.88Å; Q411-K414 VanDerWaalsContact O-N 3.16Å; E412-K414 VanDerWaalsContact C-N 3.32Å; E412-K414 PolarHBondContact O-N 3.44Å; K414-T416 VanDerWaalsContact C-N 3.29Å; K414-T416 PolarHBondContact O-N 3.26Å; K414-E417 VanDerWaalsContact CD-OE2 3.32Å; K414-E417 WeakPolarHBondContact CD-OE2 3.31Å; K414-E417 IonicContact NZ-OE2 3.95Å; K414-E417 PolarHBondContact NZ-OE2 3.21Å; K414-E417 WeakPolarHBondContact O-CB 3.36Å; K414-E417 PolarHBondContact O-N 2.96Å; K414-I418 WeakPolarHBondContact O-CG1 3.39Å; K414-I418 PolarHBondContact O-N 3.43Å
415Q96.3Very high94.1Very high54 Ų5445.5 Ų45.525%0.25224%0.244SC..Hα-helixtrans-64.4-37.2174.9-175.457.24400111.5C384 Y385 Q411 E412 I413 I418 H419C384-Q415 HydrophobicContact CB-CG 4.15Å; Y385-Q415 HydrophobicContact CE1-CG 4.36Å; Y385-Q415 HydrophobicContact CE2-CG 4.48Å; Q411-Q415 PolarHBondContact O-N 2.82Å; E412-Q415 PolarHBondContact O-N 2.99Å; I413-Q415 VanDerWaalsContact C-N 3.33Å; I413-Q415 PolarHBondContact O-N 2.92Å; Q415-I418 PolarHBondContact O-N 3.02Å; Q415-H419 WeakPolarHBondContact O-CB 3.37Å; Q415-H419 PolarHBondContact O-N 3.24Å
416T97.7Very high94.7Very high0 Ų041.3 Ų41.30%022%0.221CC..Hα-helixtrans-66.8-41.6176.4-550000111.5L276 F376 L377 S380 E412 I413 K414 I418 H419 L420L276-T416 HydrophobicContact CD1-CG2 3.77Å; L276-T416 HydrophobicContact CD2-CG2 4.48Å; L276-T416 HydrophobicContact CG-CG2 4.48Å; F376-T416 HydrophobicContact CB-CG2 3.74Å; L377-T416 WeakPolarHBondContact CA-OG1 3.41Å; L377-T416 WeakPolarHBondContact CD2-OG1 3.42Å; S380-T416 WeakPolarHBondContact CB-OG1 3.38Å; S380-T416 WeakPolarHBondContact OG-CG2 3.5Å; S380-T416 PolarHBondContact OG-OG1 3.38Å; E412-T416 WeakPolarHBondContact O-CB 3.46Å; E412-T416 PolarHBondContact O-N 3.07Å; E412-T416 PolarHBondContact O-OG1 2.68Å; I413-T416 WeakPolarHBondContact O-CA 3.12Å; I413-T416 WeakPolarHBondContact O-CB 3.33Å; I413-T416 PolarHBondContact O-N 3.22Å; I413-T416 VanDerWaalsContact O-N 3.07Å; K414-T416 VanDerWaalsContact C-N 3.29Å; K414-T416 PolarHBondContact O-N 3.26Å; T416-I418 VanDerWaalsContact C-N 3.31Å; T416-I418 PolarHBondContact O-N 2.81Å; T416-H419 WeakPolarHBondContact O-CB 3.21Å; T416-H419 PolarHBondContact O-N 3.37Å; T416-L420 HydrophobicContact CG2-CD1 4.35Å; T416-L420 HydrophobicContact CG2-CG 4.38Å; T416-L420 WeakPolarHBondContact O-CG 3.44Å; T416-L420 PolarHBondContact O-N 2.79Å
417E97.8Very high95.2Very high18 Ų1841.2 Ų41.28%0.08422%0.22CC..Hα-helixtrans-55.5-47.2172.9-66.8179.1-167.400111.6L276 W280 I413 K414 H419 L420 Q421L276-E417 HydrophobicContact CD1-CG 3.99Å; W280-E417 HydrophobicContact CD2-CG 4.03Å; W280-E417 HydrophobicContact CE3-CB 3.64Å; W280-E417 HydrophobicContact CE3-CG 3.36Å; W280-E417 HydrophobicContact CH2-CB 4.46Å; W280-E417 HydrophobicContact CZ3-CB 3.5Å; W280-E417 VanDerWaalsContact CZ3-CB 3.5Å; W280-E417 HydrophobicContact CZ3-CG 3.71Å; I413-E417 WeakPolarHBondContact O-CG 3.26Å; I413-E417 PolarHBondContact O-N 2.79Å; K414-E417 VanDerWaalsContact CD-OE2 3.32Å; K414-E417 WeakPolarHBondContact CD-OE2 3.31Å; K414-E417 IonicContact NZ-OE2 3.95Å; K414-E417 PolarHBondContact NZ-OE2 3.21Å; K414-E417 WeakPolarHBondContact O-CB 3.36Å; K414-E417 PolarHBondContact O-N 2.96Å; E417-H419 VanDerWaalsContact C-N 3.33Å; E417-H419 PolarHBondContact O-N 2.82Å; E417-L420 PolarHBondContact O-N 2.69Å; E417-Q421 WeakPolarHBondContact O-CB 3.33Å; E417-Q421 VanDerWaalsContact O-CG 3.23Å; E417-Q421 WeakPolarHBondContact O-CG 3.45Å; E417-Q421 PolarHBondContact O-N 2.84Å
418I96.4Very high95.6Very high80 Ų8039.3 Ų39.341%0.4120%0.198SC..Hα-helixtrans-62.3-42.7178.2-66.4166.4000110.5K414 Q415 T416 Q421 S422K414-I418 WeakPolarHBondContact O-CG1 3.39Å; K414-I418 PolarHBondContact O-N 3.43Å; Q415-I418 PolarHBondContact O-N 3.02Å; T416-I418 VanDerWaalsContact C-N 3.31Å; T416-I418 PolarHBondContact O-N 2.81Å; I418-Q421 PolarHBondContact O-N 3.12Å; I418-S422 WeakPolarHBondContact O-CB 3.49Å; I418-S422 PolarHBondContact O-N 3.4Å
419H97.4Very high95.8Very high4 Ų441 Ų412%0.01920%0.203CC..Hα-helixtrans-61.1-49.3177.8176.7-149.9000111.8S380 C384 Q415 T416 E417 Q421 S422 L423 S462S380-H419 PolarHBondContact OG-ND1 3.08Å; C384-H419 VanDerWaalsContact SG-CG 3.55Å; Q415-H419 WeakPolarHBondContact O-CB 3.37Å; Q415-H419 PolarHBondContact O-N 3.24Å; T416-H419 WeakPolarHBondContact O-CB 3.21Å; T416-H419 PolarHBondContact O-N 3.37Å; E417-H419 VanDerWaalsContact C-N 3.33Å; E417-H419 PolarHBondContact O-N 2.82Å; H419-Q421 VanDerWaalsContact C-N 3.35Å; H419-Q421 PolarHBondContact O-N 3.2Å; H419-S422 VanDerWaalsContact O-CB 3.3Å; H419-S422 WeakPolarHBondContact O-CB 3.49Å; H419-S422 PolarHBondContact O-N 3.06Å; H419-S422 VanDerWaalsContact O-N 3.11Å; H419-L423 PolarHBondContact O-N 3.3Å; H419-L423 VanDerWaalsContact O-N 3.08Å; H419-S462 PolarHBondContact CE1-OG 3.32Å; H419-S462 PolarHBondContact NE2-OG 2.77Å; H419-S462 VanDerWaalsContact NE2-OG 3.07Å
420L97.8Very high95.9Very high0 Ų041 Ų410%020%0.203CC..Hα-helixtrans-64-39.9178.6-64.4-178000112W275 L276 W280 T288 F376 T416 E417 S422 L423 A424W275-L420 HydrophobicContact CB-CD1 3.91Å; W275-L420 HydrophobicContact CE3-CB 4.49Å; W275-L420 HydrophobicContact CE3-CD1 4.21Å; W275-L420 HydrophobicContact CE3-CD2 3.9Å; W275-L420 HydrophobicContact CE3-CG 4.43Å; W275-L420 HydrophobicContact CZ3-CD2 4.17Å; L276-L420 HydrophobicContact CD1-CD1 3.73Å; L276-L420 HydrophobicContact CG-CD1 3.96Å; W280-L420 HydrophobicContact CH2-CB 4.13Å; W280-L420 HydrophobicContact CH2-CD1 4.31Å; W280-L420 HydrophobicContact CZ2-CD1 4.35Å; T288-L420 HydrophobicContact CG2-CB 3.62Å; T288-L420 WeakPolarHBondContact CG2-O 3.41Å; F376-L420 HydrophobicContact CD1-CD2 3.66Å; F376-L420 HydrophobicContact CE1-CD2 3.9Å; F376-L420 HydrophobicContact CG-CD1 4.41Å; F376-L420 HydrophobicContact CG-CD2 4.13Å; T416-L420 HydrophobicContact CG2-CD1 4.35Å; T416-L420 HydrophobicContact CG2-CG 4.38Å; T416-L420 WeakPolarHBondContact O-CG 3.44Å; T416-L420 PolarHBondContact O-N 2.79Å; E417-L420 PolarHBondContact O-N 2.69Å; L420-S422 VanDerWaalsContact C-N 3.29Å; L420-S422 PolarHBondContact O-N 2.93Å; L420-L423 HydrophobicContact CD2-CD1 3.99Å; L420-L423 WeakPolarHBondContact O-CB 3.39Å; L420-L423 PolarHBondContact O-N 2.87Å; L420-A424 PolarHBondContact O-N 3.4Å; L420-A424 VanDerWaalsContact O-N 3.12Å
421Q95.9Very high95.9Very high77 Ų7736.8 Ų36.836%0.3618%0.181SC..Hα-helixtrans-62.2-37.1173.5-74.2173-1200111.9W280 E417 I418 H419 A424 S425W280-Q421 HydrophobicContact CH2-CG 4.43Å; W280-Q421 HydrophobicContact CZ3-CG 4.03Å; E417-Q421 WeakPolarHBondContact O-CB 3.33Å; E417-Q421 VanDerWaalsContact O-CG 3.23Å; E417-Q421 WeakPolarHBondContact O-CG 3.45Å; E417-Q421 PolarHBondContact O-N 2.84Å; I418-Q421 PolarHBondContact O-N 3.12Å; H419-Q421 VanDerWaalsContact C-N 3.35Å; H419-Q421 PolarHBondContact O-N 3.2Å; Q421-A424 PolarHBondContact O-N 3.44Å; Q421-S425 WeakPolarHBondContact O-CB 3.35Å; Q421-S425 PolarHBondContact O-N 2.76Å
422S95.2Very high95.8Very high22 Ų2235.6 Ų35.615%0.15418%0.179CC..Hα-helixtrans-63.4-39.4174.3-177.10000112.1I418 H419 L420 S425 Q426 T454I418-S422 WeakPolarHBondContact O-CB 3.49Å; I418-S422 PolarHBondContact O-N 3.4Å; H419-S422 VanDerWaalsContact O-CB 3.3Å; H419-S422 WeakPolarHBondContact O-CB 3.49Å; H419-S422 PolarHBondContact O-N 3.06Å; H419-S422 VanDerWaalsContact O-N 3.11Å; L420-S422 VanDerWaalsContact C-N 3.29Å; L420-S422 PolarHBondContact O-N 2.93Å; S422-S425 PolarHBondContact O-N 3.38Å; S422-Q426 WeakPolarHBondContact O-CB 3.25Å; S422-Q426 PolarHBondContact O-N 3.33Å; S422-T454 VanDerWaalsContact OG-CG2 3.25Å; S422-T454 WeakPolarHBondContact OG-CG2 3.4Å; S422-T454 PolarHBondContact OG-OG1 3.18Å
423L96.2Very high95.7Very high0 Ų039.1 Ų39.10%020%0.201CC..Hα-helixtrans-60.4-51.9174.5-69.1168.2000110.7H419 L420 S425 Q426 V427 L457 I465 L466H419-L423 PolarHBondContact O-N 3.3Å; H419-L423 VanDerWaalsContact O-N 3.08Å; L420-L423 HydrophobicContact CD2-CD1 3.99Å; L420-L423 WeakPolarHBondContact O-CB 3.39Å; L420-L423 PolarHBondContact O-N 2.87Å; L423-S425 VanDerWaalsContact C-N 3.32Å; L423-S425 PolarHBondContact O-N 3.47Å; L423-Q426 PolarHBondContact O-N 3.35Å; L423-V427 WeakPolarHBondContact O-CG2 3.25Å; L423-V427 PolarHBondContact O-N 2.96Å; L423-L457 HydrophobicContact CD2-CD2 3.26Å; L423-L457 HydrophobicContact CG-CD2 4.16Å; L423-I465 HydrophobicContact CD1-CG2 3.98Å; L423-L466 HydrophobicContact CD2-CB 3.71Å; L423-L466 HydrophobicContact CD2-CD1 4.11Å; L423-L466 HydrophobicContact CD2-CG 4.35Å
424A95.3Very high95.5Very high6 Ų642.3 Ų42.35%0.0522%0.218CC..Hα-helixtrans-62.2-38.9179.800000112.4T288 L420 Q421 V427 R428 Y469T288-A424 HydrophobicContact CG2-CB 4.14Å; L420-A424 PolarHBondContact O-N 3.4Å; L420-A424 VanDerWaalsContact O-N 3.12Å; Q421-A424 PolarHBondContact O-N 3.44Å; A424-V427 PolarHBondContact O-N 3.15Å; A424-R428 PolarHBondContact O-N 3.37Å; A424-Y469 HydrophobicContact CB-CE1 4.07Å
425S94.1Very high95.4Very high48 Ų4840.9 Ų40.934%0.33622%0.216SC..Hα-helixtrans-66.1-39.1175.4-169.10000112.2Q421 S422 L423 R428 N429Q421-S425 WeakPolarHBondContact O-CB 3.35Å; Q421-S425 PolarHBondContact O-N 2.76Å; S422-S425 PolarHBondContact O-N 3.38Å; L423-S425 VanDerWaalsContact C-N 3.32Å; L423-S425 PolarHBondContact O-N 3.47Å; S425-R428 PolarHBondContact O-N 3.25Å; S425-N429 PolarHBondContact O-N 2.93Å; S425-N429 PolarHBondContact O-ND2 2.98Å
426Q95.2Very high95.4Very high18 Ų1838.4 Ų38.48%0.08420%0.204CC..Hα-helixtrans-64-43.1176.3-175.660.951.200111S422 L423 R428 N429 L430 I447 L457 L466S422-Q426 WeakPolarHBondContact O-CB 3.25Å; S422-Q426 PolarHBondContact O-N 3.33Å; L423-Q426 PolarHBondContact O-N 3.35Å; Q426-R428 VanDerWaalsContact C-N 3.35Å; Q426-R428 PolarHBondContact O-N 3.02Å; Q426-N429 PolarHBondContact O-N 3.43Å; Q426-L430 HydrophobicContact CG-CD1 4.08Å; Q426-L430 VanDerWaalsContact O-CG 3.26Å; Q426-L430 WeakPolarHBondContact O-CG 3.04Å; Q426-L430 PolarHBondContact O-N 3.17Å; Q426-I447 HydrophobicContact CG-CD1 4.37Å; Q426-L457 HydrophobicContact CB-CD1 4.12Å; Q426-L457 HydrophobicContact CG-CD1 4.03Å; Q426-L466 HydrophobicContact CB-CD1 4.17Å; Q426-L466 HydrophobicContact CG-CD1 4.17Å; Q426-L466 HydrophobicContact CG-CD2 4.05Å
427V95.9Very high95.2Very high1 Ų140.7 Ų40.71%0.00622%0.218CC..Hα-helixtrans-59.1-46.5174.8175.20000110.9F299 L423 A424 N429 L430 L431 L466 Y469 I470 A473F299-V427 HydrophobicContact CD1-CG1 4.16Å; F299-V427 HydrophobicContact CE1-CB 4.08Å; F299-V427 HydrophobicContact CE1-CG1 3.63Å; F299-V427 HydrophobicContact CE2-CG1 4.32Å; F299-V427 HydrophobicContact CZ-CG1 3.73Å; L423-V427 WeakPolarHBondContact O-CG2 3.25Å; L423-V427 PolarHBondContact O-N 2.96Å; A424-V427 PolarHBondContact O-N 3.15Å; V427-N429 PolarHBondContact O-N 3.33Å; V427-L430 PolarHBondContact O-N 3.4Å; V427-L431 HydrophobicContact CG1-CD1 4Å; V427-L431 WeakPolarHBondContact O-CG 3.5Å; V427-L431 PolarHBondContact O-N 3.35Å; V427-L431 VanDerWaalsContact O-N 3.12Å; V427-L466 HydrophobicContact CG2-CD1 3.74Å; V427-Y469 HydrophobicContact CG1-CD2 4.37Å; V427-Y469 HydrophobicContact CG2-CD1 3.92Å; V427-Y469 HydrophobicContact CG2-CD2 4.05Å; V427-Y469 HydrophobicContact CG2-CE1 4.43Å; V427-Y469 HydrophobicContact CG2-CG 3.71Å; V427-I470 HydrophobicContact CG2-CG1 3.96Å; V427-A473 HydrophobicContact CG1-CB 3.47Å; V427-A473 VanDerWaalsContact CG1-CB 3.47Å
428R94.7Very high95Very high78 Ų7841.9 Ų41.929%0.29423%0.231SC..Hα-helixtrans-55.5-53.3176.1-175.5178-67.41232.1111.2L298 F299 A424 S425 Q426 L430 L431 D432L298-R428 PolarHBondContact O-NH2 2.99Å; L298-R428 VanDerWaalsContact O-NH2 3.13Å; F299-R428 HydrophobicContact CB-CG 4.37Å; F299-R428 HydrophobicContact CD1-CB 3.9Å; F299-R428 HydrophobicContact CD1-CG 4.49Å; A424-R428 PolarHBondContact O-N 3.37Å; S425-R428 PolarHBondContact O-N 3.25Å; Q426-R428 VanDerWaalsContact C-N 3.35Å; Q426-R428 PolarHBondContact O-N 3.02Å; R428-L430 VanDerWaalsContact C-N 3.32Å; R428-L430 PolarHBondContact O-N 3.49Å; R428-L431 PolarHBondContact O-N 3.33Å; R428-L431 VanDerWaalsContact O-N 3.1Å; R428-D432 WeakPolarHBondContact CG-OD2 3.4Å; R428-D432 PolarHBondContact O-N 2.79Å
429N93.9Very high94.9Very high75 Ų7540.4 Ų40.440%0.40122%0.222SC..Hα-helixtrans-56.5-46.1-177.6-68.9-18.6000111.7S425 Q426 V427 L431 D432 T433S425-N429 PolarHBondContact O-N 2.93Å; S425-N429 PolarHBondContact O-ND2 2.98Å; Q426-N429 PolarHBondContact O-N 3.43Å; V427-N429 PolarHBondContact O-N 3.33Å; N429-L431 VanDerWaalsContact C-N 3.29Å; N429-L431 PolarHBondContact O-N 3.12Å; N429-D432 PolarHBondContact O-N 3.47Å; N429-T433 WeakPolarHBondContact O-CG2 3.22Å; N429-T433 PolarHBondContact O-N 2.93Å; N429-T433 PolarHBondContact O-OG1 3.41Å
430L95.3Very high94.7Very high4 Ų441.8 Ų41.82%0.02124%0.237CC..Hα-helixtrans-66.5-28.5-179.8-66.8170.5000113.6Q426 V427 R428 T433 D434 D435 V436 V445 I447 I470Q426-L430 HydrophobicContact CG-CD1 4.08Å; Q426-L430 VanDerWaalsContact O-CG 3.26Å; Q426-L430 WeakPolarHBondContact O-CG 3.04Å; Q426-L430 PolarHBondContact O-N 3.17Å; V427-L430 PolarHBondContact O-N 3.4Å; R428-L430 VanDerWaalsContact C-N 3.32Å; R428-L430 PolarHBondContact O-N 3.49Å; L430-T433 PolarHBondContact O-OG1 3.35Å; L430-D434 PolarHBondContact O-N 2.9Å; L430-D435 HydrophobicContact CD2-CB 3.91Å; L430-D435 PolarHBondContact O-N 3.1Å; L430-V436 HydrophobicContact CB-CG2 4.13Å; L430-V445 HydrophobicContact CD1-CG2 4.01Å; L430-V445 HydrophobicContact CD2-CG2 3.65Å; L430-V445 HydrophobicContact CG-CG2 4.3Å; L430-I447 HydrophobicContact CD1-CD1 4.09Å; L430-I447 HydrophobicContact CD1-CG1 4.15Å; L430-I447 HydrophobicContact CD2-CG1 4.37Å; L430-I470 HydrophobicContact CD1-CD1 3.51Å; L430-I470 HydrophobicContact CD1-CG1 4Å
431L93.9Very high94.5Very high26 Ų2643.3 Ų43.314%0.13625%0.247CC..Hα-helixtrans-80.1-38.4175.5-68.6176.5000111.6F299 V427 R428 N429 T433 D434 V436 A473 K474 M477F299-L431 HydrophobicContact CB-CD1 4.11Å; F299-L431 HydrophobicContact CD1-CD1 4.49Å; F299-L431 HydrophobicContact CD2-CD1 3.71Å; F299-L431 HydrophobicContact CE2-CD1 4.32Å; F299-L431 HydrophobicContact CG-CD1 3.81Å; V427-L431 HydrophobicContact CG1-CD1 4Å; V427-L431 WeakPolarHBondContact O-CG 3.5Å; V427-L431 PolarHBondContact O-N 3.35Å; V427-L431 VanDerWaalsContact O-N 3.12Å; R428-L431 PolarHBondContact O-N 3.33Å; R428-L431 VanDerWaalsContact O-N 3.1Å; N429-L431 VanDerWaalsContact C-N 3.29Å; N429-L431 PolarHBondContact O-N 3.12Å; L431-T433 VanDerWaalsContact C-N 3.31Å; L431-T433 PolarHBondContact O-N 2.89Å; L431-D434 PolarHBondContact O-N 3.3Å; L431-V436 HydrophobicContact CD2-CG2 4.47Å; L431-A473 HydrophobicContact CD1-CB 3.75Å; L431-K474 HydrophobicContact CD2-CB 4.28Å; L431-K474 HydrophobicContact CD2-CD 3.8Å; L431-M477 HydrophobicContact CD1-CG 4.18Å
432D92.8Very high94.5Very high107 Ų10739.7 Ų39.757%0.57223%0.23SC*.Hα-helixtrans-66.2-34.4178.5-71.1-15.7000111.9R428 N429R428-D432 WeakPolarHBondContact CG-OD2 3.4Å; R428-D432 PolarHBondContact O-N 2.79Å; N429-D432 PolarHBondContact O-N 3.47Å
433T93.4Very high94.6Very high81 Ų8138.6 Ų38.650%0.49722%0.222SC..THydrogen-bonded Turntrans-86.2-5175.854.70000114.1N429 L430 L431 D435N429-T433 WeakPolarHBondContact O-CG2 3.22Å; N429-T433 PolarHBondContact O-N 2.93Å; N429-T433 PolarHBondContact O-OG1 3.41Å; L430-T433 PolarHBondContact O-OG1 3.35Å; L431-T433 VanDerWaalsContact C-N 3.31Å; L431-T433 PolarHBondContact O-N 2.89Å; T433-D435 WeakPolarHBondContact CB-OD2 3.21Å; T433-D435 PolarHBondContact O-N 3.49Å; T433-D435 PolarHBondContact OG1-OD2 3.38Å
434D92.6Very high94.6Very high82 Ų8241.6 Ų41.644%0.43923%0.234SC..THydrogen-bonded Turntrans52.332.4-170.5-157.933.1000113.8L430 L431 V436 V437 K474L430-D434 PolarHBondContact O-N 2.9Å; L431-D434 PolarHBondContact O-N 3.3Å; D434-V436 PolarHBondContact O-N 2.7Å; D434-V437 WeakPolarHBondContact O-CG1 3.49Å; D434-K474 IonicContact OD1-NZ 2.69Å; D434-K474 PolarHBondContact OD1-NZ 3.06Å
435D95.4Very high94.8Very high78 Ų7841.3 Ų41.342%0.41723%0.232SC..  trans-70.1-16.6-179.3-75.9-33.4000113.3L430 T433 V437 V445L430-D435 HydrophobicContact CD2-CB 3.91Å; L430-D435 PolarHBondContact O-N 3.1Å; T433-D435 WeakPolarHBondContact CB-OD2 3.21Å; T433-D435 PolarHBondContact O-N 3.49Å; T433-D435 PolarHBondContact OG1-OD2 3.38Å; D435-V437 PolarHBondContact O-N 3.31Å; D435-V445 HydrophobicContact CB-CG2 4.25Å
436V95.8Very high94.9Very high1 Ų141.6 Ų41.61%0.00623%0.226CC..  trans-84.398174.7-172.60000109.2L430 L431 D434 L443 V445 I470 K474 L492L430-V436 HydrophobicContact CB-CG2 4.13Å; L431-V436 HydrophobicContact CD2-CG2 4.47Å; D434-V436 PolarHBondContact O-N 2.7Å; V436-L443 HydrophobicContact CG1-CD1 4.31Å; V436-V445 HydrophobicContact CG2-CB 4.32Å; V436-V445 HydrophobicContact CG2-CG2 4.25Å; V436-I470 HydrophobicContact CG1-CG2 4.11Å; V436-I470 HydrophobicContact CG2-CG2 3.59Å; V436-K474 HydrophobicContact CB-CD 4.02Å; V436-K474 HydrophobicContact CG1-CB 4.27Å; V436-K474 HydrophobicContact CG1-CD 4.02Å; V436-K474 HydrophobicContact CG1-CG 3.95Å; V436-K474 VanDerWaalsContact O-CE 3.29Å; V436-K474 WeakPolarHBondContact O-CE 3.34Å; V436-K474 PolarHBondContact O-NZ 3.43Å; V436-L492 HydrophobicContact CG1-CD1 4.4Å
437V93.9Very high94.8Very high48 Ų4841.1 Ų41.129%0.29122%0.224SC..EExtended strand (participates in β ladder)trans-116.1158.3-168.7-68.30000112.1D434 D435 L443 Y444D434-V437 WeakPolarHBondContact O-CG1 3.49Å; D435-V437 PolarHBondContact O-N 3.31Å; V437-L443 CarbonylContact O-C 3.56Å; V437-L443 VanDerWaalsContact O-CA 3.26Å; V437-L443 WeakPolarHBondContact O-CA 3.44Å; V437-Y444 HydrophobicContact CB-CE1 4.4Å; V437-Y444 HydrophobicContact CG2-CD1 3.61Å; V437-Y444 HydrophobicContact CG2-CD2 4.36Å; V437-Y444 HydrophobicContact CG2-CE1 3.17Å; V437-Y444 HydrophobicContact CG2-CE2 3.97Å; V437-Y444 HydrophobicContact CG2-CG 4.19Å; V437-Y444 PolarHBondContact N-O 3.29Å; V437-Y444 PolarHBondContact O-N 3.48Å
438A94.2Very high94.6Very high43 Ų4349.8 Ų49.836%0.35526%0.257SS..EExtended strand (participates in β ladder)trans-91.6137.717500000111.8L443 L481 M490A438-L443 HydrophobicContact CB-CD2 3.94Å; A438-L481 HydrophobicContact CB-CD1 4.09Å; A438-M490 HydrophobicContact CB-CE 4.02Å
439F94.8Very high94.1Very high50 Ų5051.6 Ų51.622%0.21927%0.267CS..EExtended strand (participates in β ladder)trans-126.996.2169.2-164.3-76000108P441 F442 Y444 L555 F558 E559F439-P441 WeakPolarHBondContact O-CD 3.48Å; F439-P441 VanDerWaalsContact O-N 3.16Å; F439-F442 HydrophobicContact CB-CD2 4.36Å; F439-F442 HydrophobicContact CB-CE2 3.82Å; F439-F442 HydrophobicContact CB-CZ 3.93Å; F439-F442 HydrophobicContact CD1-CE1 4.03Å; F439-F442 HydrophobicContact CD1-CE2 4.39Å; F439-F442 AromaticContact CD1-CZ 3.65Å; F439-F442 HydrophobicContact CD1-CZ 3.65Å; F439-F442 HydrophobicContact CG-CE2 4.36Å; F439-F442 HydrophobicContact CG-CZ 4.06Å; F439-F442 PolarHBondContact N-O 3.43Å; F439-F442 WeakPolarHBondContact O-CD1 3.04Å; F439-F442 PolarHBondContact O-N 3.01Å; F439-Y444 HydrophobicContact CB-CD1 3.79Å; F439-Y444 HydrophobicContact CB-CE1 4.04Å; F439-Y444 HydrophobicContact CD2-CE1 4.18Å; F439-L555 HydrophobicContact CE2-CD1 4.16Å; F439-L555 HydrophobicContact CZ-CD1 4.24Å; F439-F558 HydrophobicContact CD1-CB 4.12Å; F439-F558 HydrophobicContact CD2-CD1 4.18Å; F439-F558 VanDerWaalsContact CE1-C 3.49Å; F439-F558 HydrophobicContact CE1-CB 3.79Å; F439-F558 WeakPolarHBondContact CE1-O 3.45Å; F439-F558 HydrophobicContact CE2-CB 4.23Å; F439-F558 HydrophobicContact CG-CB 4.5Å; F439-F558 HydrophobicContact CG-CD1 4.17Å; F439-F558 HydrophobicContact CZ-CB 3.84Å; F439-E559 HydrophobicContact CE1-CG 4.46Å; F439-E559 HydrophobicContact CZ-CG 4.04Å
440G92Very high93.7Very high33 Ų3350.8 Ų50.834%0.3427%0.266SS..THydrogen-bonded Turntrans59.2-115.8-17600000112.6
441P93.5Very high92.9Very high32 Ų3256.6 Ų56.621%0.20831%0.308CS..THydrogen-bonded Turntrans-84.3-10.2-176.634-34.8000114.5F439 S562 L565F439-P441 WeakPolarHBondContact O-CD 3.48Å; F439-P441 VanDerWaalsContact O-N 3.16Å; P441-S562 WeakPolarHBondContact CD-OG 3.34Å; P441-L565 HydrophobicContact CB-CB 4.32Å; P441-L565 HydrophobicContact CG-CB 3.66Å
442F96Very high92.1Very high0 Ų062.3 Ų62.30%034%0.338CS..EExtended strand (participates in β ladder)trans-123.1161.7-176.963.3-92.3000113F439 P491 I493 F558 L561 L565F439-F442 HydrophobicContact CB-CD2 4.36Å; F439-F442 HydrophobicContact CB-CE2 3.82Å; F439-F442 HydrophobicContact CB-CZ 3.93Å; F439-F442 HydrophobicContact CD1-CE1 4.03Å; F439-F442 HydrophobicContact CD1-CE2 4.39Å; F439-F442 AromaticContact CD1-CZ 3.65Å; F439-F442 HydrophobicContact CD1-CZ 3.65Å; F439-F442 HydrophobicContact CG-CE2 4.36Å; F439-F442 HydrophobicContact CG-CZ 4.06Å; F439-F442 PolarHBondContact N-O 3.43Å; F439-F442 WeakPolarHBondContact O-CD1 3.04Å; F439-F442 PolarHBondContact O-N 3.01Å; F442-P491 HydrophobicContact CB-CG 3.78Å; F442-I493 HydrophobicContact CD2-CD1 3.68Å; F442-I493 HydrophobicContact CD2-CG1 3.99Å; F442-I493 HydrophobicContact CE2-CD1 3.56Å; F442-I493 HydrophobicContact CE2-CG1 4.28Å; F442-I493 HydrophobicContact CG-CD1 4.28Å; F442-I493 HydrophobicContact CZ-CD1 4.06Å; F442-F558 AromaticContact CE2-CD1 3.84Å; F442-F558 HydrophobicContact CE2-CD1 3.84Å; F442-F558 AromaticContact CE2-CE1 3.95Å; F442-F558 HydrophobicContact CE2-CE1 3.95Å; F442-F558 HydrophobicContact CE2-CG 4.34Å; F442-F558 HydrophobicContact CZ-CB 4.18Å; F442-F558 AromaticContact CZ-CD1 3.9Å; F442-F558 HydrophobicContact CZ-CD1 3.9Å; F442-F558 HydrophobicContact CZ-CE1 4.44Å; F442-F558 HydrophobicContact CZ-CG 4.02Å; F442-L561 HydrophobicContact CE1-CB 3.91Å; F442-L561 HydrophobicContact CZ-CB 4.31Å; F442-L565 HydrophobicContact CD1-CD1 3.9Å
443L97.1Very high91.5Very high0 Ų058.3 Ų58.30%032%0.317CS..EExtended strand (participates in β ladder)trans-92.3151167-63-178.7000110V436 V437 A438 L471 K474 L481 V487 M490 P491 L492 I493V436-L443 HydrophobicContact CG1-CD1 4.31Å; V437-L443 CarbonylContact O-C 3.56Å; V437-L443 VanDerWaalsContact O-CA 3.26Å; V437-L443 WeakPolarHBondContact O-CA 3.44Å; A438-L443 HydrophobicContact CB-CD2 3.94Å; L443-L471 HydrophobicContact CD1-CD1 3.83Å; L443-K474 HydrophobicContact CD1-CG 4.18Å; L443-L481 HydrophobicContact CD2-CD1 3.61Å; L443-V487 HydrophobicContact CD1-CG1 3.84Å; L443-M490 HydrophobicContact CD2-CE 3.82Å; L443-M490 HydrophobicContact CD2-SD 4.2Å; L443-M490 HydrophobicContact CG-CB 4.12Å; L443-M490 HydrophobicContact CG-CE 4.17Å; L443-M490 HydrophobicContact CG-SD 4.47Å; L443-P491 PolarHBondContact N-O 2.86Å; L443-L492 HydrophobicContact CB-CB 4.49Å; L443-L492 HydrophobicContact CB-CD1 3.68Å; L443-L492 CarbonylContact O-C 3.59Å; L443-L492 WeakPolarHBondContact O-CA 3.34Å; L443-I493 PolarHBondContact O-N 3.21Å
444Y97.6Very high91.1Very high63 Ų6357 Ų5725%0.24731%0.309CS..EExtended strand (participates in β ladder)trans-140.1161165.984.3-85.9000111.9V437 F439 I493 M554 F558V437-Y444 HydrophobicContact CB-CE1 4.4Å; V437-Y444 HydrophobicContact CG2-CD1 3.61Å; V437-Y444 HydrophobicContact CG2-CD2 4.36Å; V437-Y444 HydrophobicContact CG2-CE1 3.17Å; V437-Y444 HydrophobicContact CG2-CE2 3.97Å; V437-Y444 HydrophobicContact CG2-CG 4.19Å; V437-Y444 PolarHBondContact N-O 3.29Å; V437-Y444 PolarHBondContact O-N 3.48Å; F439-Y444 HydrophobicContact CB-CD1 3.79Å; F439-Y444 HydrophobicContact CB-CE1 4.04Å; F439-Y444 HydrophobicContact CD2-CE1 4.18Å; Y444-I493 WeakPolarHBondContact CA-O 3.43Å; Y444-I493 WeakPolarHBondContact CB-O 3.49Å; Y444-M554 HydrophobicContact CD2-CE 3.95Å; Y444-M554 HydrophobicContact CE2-CE 3.87Å; Y444-F558 HydrophobicContact CD1-CD1 4.38Å; Y444-F558 AromaticContact CD1-CE1 3.91Å; Y444-F558 HydrophobicContact CD1-CE1 3.91Å; Y444-F558 AromaticContact CD2-CE1 3.76Å; Y444-F558 HydrophobicContact CD2-CE1 3.76Å; Y444-F558 HydrophobicContact CD2-CZ 4.41Å; Y444-F558 HydrophobicContact CE1-CE1 4.43Å; Y444-F558 HydrophobicContact CE2-CE1 4.33Å; Y444-F558 HydrophobicContact CG-CD1 4.43Å; Y444-F558 AromaticContact CG-CE1 3.53Å; Y444-F558 HydrophobicContact CG-CE1 3.53Å; Y444-F558 HydrophobicContact CG-CZ 4.36Å
445V97.8Very high90.9Very high0 Ų057 Ų570%031%0.306CS..EExtended strand (participates in β ladder)trans-147.3143.8172.361.20000109.1L430 D435 V436 I447 I470 L492 I493 V494 C495L430-V445 HydrophobicContact CD1-CG2 4.01Å; L430-V445 HydrophobicContact CD2-CG2 3.65Å; L430-V445 HydrophobicContact CG-CG2 4.3Å; D435-V445 HydrophobicContact CB-CG2 4.25Å; V436-V445 HydrophobicContact CG2-CB 4.32Å; V436-V445 HydrophobicContact CG2-CG2 4.25Å; V445-I447 HydrophobicContact CG2-CG1 4.5Å; V445-I470 HydrophobicContact CG1-CD1 4.21Å; V445-L492 HydrophobicContact CG1-CD1 4.26Å; V445-I493 PolarHBondContact N-O 3.28Å; V445-I493 VanDerWaalsContact N-O 3.11Å; V445-V494 HydrophobicContact CG1-CB 4.23Å; V445-V494 HydrophobicContact CG1-CG1 4.03Å; V445-V494 HydrophobicContact CG1-CG2 3.81Å; V445-C495 PolarHBondContact O-N 2.74Å
446Y96.1Very high90.6Very high54 Ų5453.3 Ų53.321%0.21229%0.287CS..EExtended strand (participates in β ladder)trans-118109176-172.7173.9000110.2R448 C495 D497 I505 R551Y446-R448 HydrophobicContact CD2-CG 4.17Å; Y446-R448 HydrophobicContact CE2-CG 3.98Å; Y446-R448 PolarHBondContact O-N 3.28Å; Y446-C495 CarbonylContact C-O 3.58Å; Y446-C495 WeakPolarHBondContact CA-O 3.49Å; Y446-C495 HydrophobicContact CD2-CB 4.04Å; Y446-C495 WeakPolarHBondContact CD2-O 3.35Å; Y446-C495 HydrophobicContact CG-CB 4.06Å; Y446-D497 VanDerWaalsContact CE2-OD1 3.29Å; Y446-D497 WeakPolarHBondContact CE2-OD1 3.44Å; Y446-D497 PolarHBondContact OH-OD1 3.49Å; Y446-I505 HydrophobicContact CE1-CG2 4.44Å; Y446-I505 HydrophobicContact CE2-CG2 4.04Å; Y446-I505 VanDerWaalsContact OH-CG2 3.26Å; Y446-I505 WeakPolarHBondContact OH-CG2 3.22Å; Y446-R551 PolarHBondContact OH-NH1 3.22Å
447I94.9Very high90.3Very high8 Ų853.4 Ų53.44%0.04129%0.287CS..EExtended strand (participates in β ladder)trans-90.5100.3173.6-50.2174.2000108.9Q426 L430 V445 V453 L466 I470 V494 C495 V496Q426-I447 HydrophobicContact CG-CD1 4.37Å; L430-I447 HydrophobicContact CD1-CD1 4.09Å; L430-I447 HydrophobicContact CD1-CG1 4.15Å; L430-I447 HydrophobicContact CD2-CG1 4.37Å; V445-I447 HydrophobicContact CG2-CG1 4.5Å; I447-V453 HydrophobicContact CG2-CG1 3.97Å; I447-V453 HydrophobicContact CG2-CG2 3.85Å; I447-L466 HydrophobicContact CD1-CD2 3.59Å; I447-I470 HydrophobicContact CD1-CD1 4.38Å; I447-V494 HydrophobicContact CD1-CG1 4.09Å; I447-C495 PolarHBondContact N-O 3.24Å; I447-V496 HydrophobicContact CB-CG1 4.22Å
448R90.9Very high90.1Very high183 Ų18352.8 Ų52.869%0.69128%0.279SS*.  trans-71.3148.4176.9-63.7-179.9-176.7161.92.3111.3Y446 S450Y446-R448 HydrophobicContact CD2-CG 4.17Å; Y446-R448 HydrophobicContact CE2-CG 3.98Å; Y446-R448 PolarHBondContact O-N 3.28Å; R448-S450 PolarHBondContact O-N 3.01Å
449K85Confident90.1Very high116 Ų11650.9 Ų50.950%0.50426%0.263SS..  trans-59.9121.6170.2-175.7179.9178.3-175.80108.9D497 D502K449-D497 HydrophobicContact CB-CB 3.94Å; K449-D497 WeakPolarHBondContact CB-OD2 3.21Å; K449-D497 PolarHBondContact N-OD2 2.78Å; K449-D502 IonicContact NZ-OD1 3.79Å
450S85.1Confident90Very high57 Ų5750.1 Ų50.140%0.39926%0.264SS..  trans-146.8164.3172.472.60000109.3R448 L452 V453R448-S450 PolarHBondContact O-N 3.01Å; S450-L452 PolarHBondContact O-N 3.09Å; S450-L452 VanDerWaalsContact O-N 3.14Å; S450-L452 PolarHBondContact OG-N 3.35Å; S450-V453 PolarHBondContact O-N 2.87Å; S450-V453 WeakPolarHBondContact OG-CG2 3.42Å; S450-V453 PolarHBondContact OG-N 3.25Å
451S78.3Confident90.2Very high127 Ų12749 Ų4989%0.88825%0.25SS*.THydrogen-bonded Turntrans-64.5-12.2174.257.20000113.6
452L76.2Confident90.4Very high146 Ų14647.5 Ų47.576%0.76424%0.24SC*.THydrogen-bonded Turntrans-92.4-16.7179.8-58.6176.9000112.7S450S450-L452 PolarHBondContact O-N 3.09Å; S450-L452 VanDerWaalsContact O-N 3.14Å; S450-L452 PolarHBondContact OG-N 3.35Å
453V81.8Confident90.5Very high23 Ų2347.7 Ų47.714%0.13924%0.241CC..SBendtrans-94.4118.3179.41750000108I447 S450 L457I447-V453 HydrophobicContact CG2-CG1 3.97Å; I447-V453 HydrophobicContact CG2-CG2 3.85Å; S450-V453 PolarHBondContact O-N 2.87Å; S450-V453 WeakPolarHBondContact OG-CG2 3.42Å; S450-V453 PolarHBondContact OG-N 3.25Å; V453-L457 HydrophobicContact CG1-CB 4.29Å; V453-L457 HydrophobicContact CG1-CD1 4.16Å
454T84.9Confident90.5Very high52 Ų5248.6 Ų48.632%0.31925%0.248SC..  trans-66.1145.6-179.662.20000110.6S422 A456 L457S422-T454 VanDerWaalsContact OG-CG2 3.25Å; S422-T454 WeakPolarHBondContact OG-CG2 3.4Å; S422-T454 PolarHBondContact OG-OG1 3.18Å; T454-A456 PolarHBondContact O-N 2.9Å; T454-L457 PolarHBondContact O-N 3Å; T454-L457 VanDerWaalsContact O-N 3.14Å; T454-L457 WeakPolarHBondContact OG1-CG 3.29Å
455H88.1Confident90.5Very high82 Ų8245.6 Ų45.638%0.3824%0.237SC..G310 helixtrans-60.3-28.5-179.6-66.4-61.9000112.9N387 L457 R458N387-H455 WeakPolarHBondContact O-CB 3.43Å; H455-L457 VanDerWaalsContact C-N 3.26Å; H455-L457 PolarHBondContact O-N 3.41Å; H455-R458 PolarHBondContact ND1-NH2 3.26Å; H455-R458 PolarHBondContact O-N 3.22Å
456A88.7Confident90.5Very high2 Ų245.6 Ų45.62%0.01724%0.237CC..G310 helixtrans-54-39.6175.400000112.5E383 T454 R458 N459 S462E383-A456 HydrophobicContact CB-CB 4.05Å; E383-A456 VanDerWaalsContact O-CA 3.25Å; E383-A456 WeakPolarHBondContact O-CA 2.94Å; E383-A456 WeakPolarHBondContact O-CB 3.23Å; T454-A456 PolarHBondContact O-N 2.9Å; A456-R458 PolarHBondContact O-N 3.14Å; A456-N459 WeakPolarHBondContact O-CB 3.41Å; A456-N459 PolarHBondContact O-N 3.37Å; A456-S462 WeakPolarHBondContact O-CB 3.49Å
457L89.4Confident90.6Very high2 Ų243 Ų431%0.0123%0.227CC..G310 helixtrans-67.1-6.7-177.1-55.7-174.9000114.4L423 Q426 V453 T454 H455 L466L423-L457 HydrophobicContact CD2-CD2 3.26Å; L423-L457 HydrophobicContact CG-CD2 4.16Å; Q426-L457 HydrophobicContact CB-CD1 4.12Å; Q426-L457 HydrophobicContact CG-CD1 4.03Å; V453-L457 HydrophobicContact CG1-CB 4.29Å; V453-L457 HydrophobicContact CG1-CD1 4.16Å; T454-L457 PolarHBondContact O-N 3Å; T454-L457 VanDerWaalsContact O-N 3.14Å; T454-L457 WeakPolarHBondContact OG1-CG 3.29Å; H455-L457 VanDerWaalsContact C-N 3.26Å; H455-L457 PolarHBondContact O-N 3.41Å; L457-L466 HydrophobicContact CB-CD2 4.37Å; L457-L466 HydrophobicContact CD1-CD2 4.1Å; L457-L466 HydrophobicContact CD2-CD2 4.18Å; L457-L466 HydrophobicContact CG-CD2 4.42Å
458R89.7Confident90.7Very high35 Ų3544.6 Ų44.613%0.13223%0.233CC..G310 helixtrans-94.8-7.7172-59.4-177.6-62.61655.9112.3H455 A456 K499H455-R458 PolarHBondContact ND1-NH2 3.26Å; H455-R458 PolarHBondContact O-N 3.22Å; A456-R458 PolarHBondContact O-N 3.14Å; R458-K499 HydrophobicContact CB-CG 4.22Å; R458-K499 WeakPolarHBondContact O-CE 3.3Å; R458-K499 PolarHBondContact O-NZ 3.06Å
459N93.7Very high91Very high4 Ų435.9 Ų35.92%0.02120%0.2CC..SBendtrans-86.7150.3175.2-70.4-60.9000111.4E383 G388 P390 A456 Q461 L463 K499E383-N459 HydrophobicContact CB-CB 4.1Å; E383-N459 HydrophobicContact CG-CB 3.61Å; E383-N459 VanDerWaalsContact OE1-CB 3.3Å; E383-N459 WeakPolarHBondContact OE1-CB 3.38Å; E383-N459 WeakPolarHBondContact OE2-CB 3.46Å; G388-N459 PolarHBondContact O-ND2 2.83Å; G388-N459 PolarHBondContact O-OD1 3.38Å; P390-N459 WeakPolarHBondContact CG-OD1 3.41Å; A456-N459 WeakPolarHBondContact O-CB 3.41Å; A456-N459 PolarHBondContact O-N 3.37Å; N459-Q461 VanDerWaalsContact C-N 3.34Å; N459-Q461 PolarHBondContact O-N 3.03Å; N459-L463 WeakPolarHBondContact O-CB 3.34Å; N459-L463 PolarHBondContact O-N 3.23Å; N459-K499 WeakPolarHBondContact OD1-CE 3.47Å; N459-K499 PolarHBondContact OD1-NZ 3.22Å
460S92.9Very high91.6Very high33 Ų3330.4 Ų30.423%0.23118%0.177CC..Hα-helixtrans-58.4-43.2-167.7174.60000112.4A464S460-A464 WeakPolarHBondContact O-CB 3.26Å; S460-A464 PolarHBondContact O-N 2.96Å
461Q97.5Very high92.2Very high11 Ų1127.7 Ų27.75%0.05116%0.158CC..Hα-helixtrans-73.6-49.9-173.4-56.4174.510300111.5D27 T222 I379 E383 N459 L463 A464 I465D27-Q461 HydrophobicContact CB-CG 4.5Å; T222-Q461 HydrophobicContact CG2-CB 3.92Å; T222-Q461 HydrophobicContact CG2-CG 4.13Å; I379-Q461 HydrophobicContact CD1-CB 4.08Å; I379-Q461 HydrophobicContact CG1-CB 4.2Å; I379-Q461 HydrophobicContact CG2-CB 4.19Å; E383-Q461 WeakPolarHBondContact OE1-CB 3.36Å; E383-Q461 PolarHBondContact OE1-N 3.16Å; E383-Q461 PolarHBondContact OE1-NE2 3.46Å; E383-Q461 VanDerWaalsContact OE1-NE2 3.1Å; N459-Q461 VanDerWaalsContact C-N 3.34Å; N459-Q461 PolarHBondContact O-N 3.03Å; Q461-L463 VanDerWaalsContact C-N 3.3Å; Q461-L463 PolarHBondContact O-N 3.49Å; Q461-A464 PolarHBondContact O-N 2.93Å; Q461-I465 WeakPolarHBondContact O-CG1 3.42Å; Q461-I465 PolarHBondContact O-N 2.69Å; Q461-I465 VanDerWaalsContact O-N 3.09Å
462S97.6Very high93Very high0 Ų023.2 Ų23.20%012%0.123CC..Hα-helixtrans-62.3-37.3174.9-62.10000112.4E383 H419 A456 I465 L466E383-S462 WeakPolarHBondContact OE2-CB 3.26Å; E383-S462 PolarHBondContact OE2-N 3.18Å; E383-S462 PolarHBondContact OE2-OG 2.93Å; H419-S462 PolarHBondContact CE1-OG 3.32Å; H419-S462 PolarHBondContact NE2-OG 2.77Å; H419-S462 VanDerWaalsContact NE2-OG 3.07Å; A456-S462 WeakPolarHBondContact O-CB 3.49Å; S462-I465 PolarHBondContact O-N 3.48Å; S462-L466 VanDerWaalsContact O-CB 3.26Å; S462-L466 WeakPolarHBondContact O-CB 3.37Å; S462-L466 PolarHBondContact O-N 2.99Å
463L96.5Very high94Very high4 Ų416.2 Ų16.22%0.0219%0.087CC..Hα-helixtrans-67.6-36.2176.8-174.759.7000111.9N459 Q461 S467 V494 V496 L508N459-L463 WeakPolarHBondContact O-CB 3.34Å; N459-L463 PolarHBondContact O-N 3.23Å; Q461-L463 VanDerWaalsContact C-N 3.3Å; Q461-L463 PolarHBondContact O-N 3.49Å; L463-S467 VanDerWaalsContact O-CB 3.25Å; L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.9Å; L463-S467 PolarHBondContact O-OG 3.35Å; L463-V494 HydrophobicContact CD1-CB 4.41Å; L463-V494 HydrophobicContact CD1-CG1 3.68Å; L463-V496 HydrophobicContact CD1-CG1 3.75Å; L463-V496 HydrophobicContact CD2-CG1 4.24Å; L463-V496 HydrophobicContact CD2-CG2 4.04Å; L463-L508 HydrophobicContact CB-CD2 4.35Å; L463-L508 HydrophobicContact CD2-CB 4.07Å; L463-L508 HydrophobicContact CD2-CD2 4.12Å; L463-L508 HydrophobicContact CG-CB 4.46Å; L463-L508 HydrophobicContact CG-CD2 3.76Å
464A97.3Very high94.6Very high18 Ų1815.5 Ų15.515%0.1498%0.082CC..Hα-helixtrans-64.8-46174.900000111.8T222 S460 Q461 S467 K468 L508T222-A464 WeakPolarHBondContact O-CB 3.38Å; S460-A464 WeakPolarHBondContact O-CB 3.26Å; S460-A464 PolarHBondContact O-N 2.96Å; Q461-A464 PolarHBondContact O-N 2.93Å; A464-S467 PolarHBondContact O-N 2.89Å; A464-K468 PolarHBondContact O-N 3.41Å; A464-K468 VanDerWaalsContact O-N 3.13Å; A464-L508 HydrophobicContact CB-CD2 4.39Å
465I98.1Very high95.1Very high1 Ų113.6 Ų13.61%0.0057%0.071CC..Hα-helixtrans-60.4-49.5174.9-63.6159.7000110.2I221 W275 F376 I379 L423 Q461 S462 S467 K468 Y469I221-I465 HydrophobicContact CG2-CD1 4.19Å; I221-I465 HydrophobicContact CG2-CG1 4.48Å; I221-I465 WeakPolarHBondContact O-CG1 3.42Å; W275-I465 HydrophobicContact CH2-CG2 4Å; W275-I465 HydrophobicContact CZ2-CG2 4.49Å; F376-I465 HydrophobicContact CD1-CD1 4.45Å; F376-I465 HydrophobicContact CE1-CD1 4.02Å; I379-I465 HydrophobicContact CD1-CD1 3.74Å; L423-I465 HydrophobicContact CD1-CG2 3.98Å; Q461-I465 WeakPolarHBondContact O-CG1 3.42Å; Q461-I465 PolarHBondContact O-N 2.69Å; Q461-I465 VanDerWaalsContact O-N 3.09Å; S462-I465 PolarHBondContact O-N 3.48Å; I465-S467 VanDerWaalsContact C-N 3.33Å; I465-S467 PolarHBondContact O-N 2.95Å; I465-K468 PolarHBondContact O-N 2.79Å; I465-Y469 WeakPolarHBondContact O-CB 3.29Å; I465-Y469 PolarHBondContact O-N 2.82Å
466L97.8Very high95.3Very high0 Ų011 Ų110%06%0.062CC..Hα-helixtrans-58.5-45.3178.8-179.760000111.4L423 Q426 V427 I447 L457 S462 K468 Y469 I470L423-L466 HydrophobicContact CD2-CB 3.71Å; L423-L466 HydrophobicContact CD2-CD1 4.11Å; L423-L466 HydrophobicContact CD2-CG 4.35Å; Q426-L466 HydrophobicContact CB-CD1 4.17Å; Q426-L466 HydrophobicContact CG-CD1 4.17Å; Q426-L466 HydrophobicContact CG-CD2 4.05Å; V427-L466 HydrophobicContact CG2-CD1 3.74Å; I447-L466 HydrophobicContact CD1-CD2 3.59Å; L457-L466 HydrophobicContact CB-CD2 4.37Å; L457-L466 HydrophobicContact CD1-CD2 4.1Å; L457-L466 HydrophobicContact CD2-CD2 4.18Å; L457-L466 HydrophobicContact CG-CD2 4.42Å; S462-L466 VanDerWaalsContact O-CB 3.26Å; S462-L466 WeakPolarHBondContact O-CB 3.37Å; S462-L466 PolarHBondContact O-N 2.99Å; L466-K468 PolarHBondContact O-N 3.33Å; L466-Y469 WeakPolarHBondContact O-CB 3.21Å; L466-Y469 PolarHBondContact O-N 2.8Å; L466-I470 HydrophobicContact CD1-CD1 4.02Å; L466-I470 HydrophobicContact CD1-CG1 4.08Å; L466-I470 HydrophobicContact CD2-CD1 4.34Å; L466-I470 HydrophobicContact CG-CD1 3.74Å; L466-I470 HydrophobicContact CG-CG1 4.26Å; L466-I470 VanDerWaalsContact O-CG1 3.26Å; L466-I470 WeakPolarHBondContact O-CG1 3.12Å; L466-I470 PolarHBondContact O-N 3.24Å
467S97.8Very high95.4Very high0 Ų014.5 Ų14.50%08%0.079CC..Hα-helixtrans-57.9-49.4179.8-61.90000111.8L463 A464 I465 Y469 I470 L471 L492 V494 I510L463-S467 VanDerWaalsContact O-CB 3.25Å; L463-S467 WeakPolarHBondContact O-CB 3.39Å; L463-S467 PolarHBondContact O-N 2.9Å; L463-S467 PolarHBondContact O-OG 3.35Å; A464-S467 PolarHBondContact O-N 2.89Å; I465-S467 VanDerWaalsContact C-N 3.33Å; I465-S467 PolarHBondContact O-N 2.95Å; S467-Y469 VanDerWaalsContact C-N 3.29Å; S467-Y469 PolarHBondContact O-N 2.98Å; S467-I470 PolarHBondContact O-N 3.36Å; S467-L471 PolarHBondContact O-N 3.49Å; S467-L492 WeakPolarHBondContact O-CD2 3.46Å; S467-V494 WeakPolarHBondContact OG-CG2 2.89Å; S467-I510 VanDerWaalsContact C-CD1 3.43Å; S467-I510 WeakPolarHBondContact O-CD1 3.38Å
468K97.1Very high95.2Very high41 Ų4119.9 Ų19.918%0.17810%0.099CC..Hα-helixtrans-64.4-38.3178-166.974.4173.5-170.10111.3H223 M290 A464 I465 L466 L471 M472H223-K468 WeakPolarHBondContact CD2-CB 3.48Å; H223-K468 WeakPolarHBondContact NE2-CB 3.22Å; M290-K468 HydrophobicContact CE-CG 4.27Å; M290-K468 HydrophobicContact SD-CB 4.13Å; M290-K468 HydrophobicContact SD-CG 3.86Å; A464-K468 PolarHBondContact O-N 3.41Å; A464-K468 VanDerWaalsContact O-N 3.13Å; I465-K468 PolarHBondContact O-N 2.79Å; L466-K468 PolarHBondContact O-N 3.33Å; K468-L471 PolarHBondContact O-N 2.71Å; K468-M472 WeakPolarHBondContact O-CB 2.73Å; K468-M472 PolarHBondContact O-N 2.75Å
469Y97.9Very high94.7Very high0 Ų021.4 Ų21.40%012%0.119CC..Hα-helixtrans-63.3-46.6177.1-160.8170.8000111.8W275 T288 M290 A293 F299 A424 V427 I465 L466 S467 L471 M472 A473W275-Y469 HydrophobicContact CH2-CD1 4.03Å; W275-Y469 HydrophobicContact CH2-CE1 4.14Å; W275-Y469 HydrophobicContact CZ3-CD1 4.34Å; W275-Y469 HydrophobicContact CZ3-CE1 4.07Å; T288-Y469 WeakPolarHBondContact O-CE1 3.26Å; T288-Y469 PolarHBondContact O-OH 3.11Å; M290-Y469 VanDerWaalsContact CA-CE2 3.48Å; M290-Y469 HydrophobicContact CB-CD1 4.28Å; M290-Y469 HydrophobicContact CB-CD2 3.9Å; M290-Y469 HydrophobicContact CB-CE1 4.46Å; M290-Y469 HydrophobicContact CB-CE2 4.11Å; M290-Y469 HydrophobicContact CB-CG 4Å; M290-Y469 HydrophobicContact CG-CD2 3.62Å; M290-Y469 HydrophobicContact CG-CE2 4.19Å; M290-Y469 HydrophobicContact CG-CG 3.89Å; A293-Y469 HydrophobicContact CB-CE2 4.06Å; A293-Y469 WeakPolarHBondContact CB-OH 3.48Å; F299-Y469 HydrophobicContact CE1-CE2 4.37Å; F299-Y469 AromaticContact CZ-CE2 3.68Å; F299-Y469 HydrophobicContact CZ-CE2 3.68Å; A424-Y469 HydrophobicContact CB-CE1 4.07Å; V427-Y469 HydrophobicContact CG1-CD2 4.37Å; V427-Y469 HydrophobicContact CG2-CD1 3.92Å; V427-Y469 HydrophobicContact CG2-CD2 4.05Å; V427-Y469 HydrophobicContact CG2-CE1 4.43Å; V427-Y469 HydrophobicContact CG2-CG 3.71Å; I465-Y469 WeakPolarHBondContact O-CB 3.29Å; I465-Y469 PolarHBondContact O-N 2.82Å; L466-Y469 WeakPolarHBondContact O-CB 3.21Å; L466-Y469 PolarHBondContact O-N 2.8Å; S467-Y469 VanDerWaalsContact C-N 3.29Å; S467-Y469 PolarHBondContact O-N 2.98Å; Y469-L471 VanDerWaalsContact C-N 3.34Å; Y469-L471 PolarHBondContact O-N 3.24Å; Y469-M472 PolarHBondContact O-N 2.8Å; Y469-A473 VanDerWaalsContact O-CB 3.26Å; Y469-A473 WeakPolarHBondContact O-CB 3.45Å; Y469-A473 PolarHBondContact O-N 2.62Å
470I97.6Very high94.1Very high1 Ų127.8 Ų27.81%0.00515%0.147CC..Hα-helixtrans-56-49.3174.6-70166.5000110.4V427 L430 V436 V445 I447 L466 S467 M472 A473 K474 L492V427-I470 HydrophobicContact CG2-CG1 3.96Å; L430-I470 HydrophobicContact CD1-CD1 3.51Å; L430-I470 HydrophobicContact CD1-CG1 4Å; V436-I470 HydrophobicContact CG1-CG2 4.11Å; V436-I470 HydrophobicContact CG2-CG2 3.59Å; V445-I470 HydrophobicContact CG1-CD1 4.21Å; I447-I470 HydrophobicContact CD1-CD1 4.38Å; L466-I470 HydrophobicContact CD1-CD1 4.02Å; L466-I470 HydrophobicContact CD1-CG1 4.08Å; L466-I470 HydrophobicContact CD2-CD1 4.34Å; L466-I470 HydrophobicContact CG-CD1 3.74Å; L466-I470 HydrophobicContact CG-CG1 4.26Å; L466-I470 VanDerWaalsContact O-CG1 3.26Å; L466-I470 WeakPolarHBondContact O-CG1 3.12Å; L466-I470 PolarHBondContact O-N 3.24Å; S467-I470 PolarHBondContact O-N 3.36Å; I470-M472 PolarHBondContact O-N 3.13Å; I470-A473 PolarHBondContact O-N 3.29Å; I470-K474 WeakPolarHBondContact O-CB 3.25Å; I470-K474 PolarHBondContact O-N 2.93Å; I470-L492 HydrophobicContact CB-CD2 4.03Å; I470-L492 HydrophobicContact CG2-CD2 3.8Å
471L96.7Very high93.4Very high0 Ų027.1 Ų27.10%014%0.141CC..Hα-helixtrans-63.7-42.4-177.9-174.354.6000111.6L443 S467 K468 Y469 K474 A475 V487 L492 I510 I513L443-L471 HydrophobicContact CD1-CD1 3.83Å; S467-L471 PolarHBondContact O-N 3.49Å; K468-L471 PolarHBondContact O-N 2.71Å; Y469-L471 VanDerWaalsContact C-N 3.34Å; Y469-L471 PolarHBondContact O-N 3.24Å; L471-K474 PolarHBondContact O-N 2.69Å; L471-A475 WeakPolarHBondContact O-CB 3.4Å; L471-A475 PolarHBondContact O-N 3.02Å; L471-V487 HydrophobicContact CD1-CG1 4.33Å; L471-L492 HydrophobicContact CB-CB 4.45Å; L471-L492 HydrophobicContact CB-CD2 4.14Å; L471-L492 HydrophobicContact CD1-CB 4.28Å; L471-L492 HydrophobicContact CD2-CB 4.28Å; L471-I510 HydrophobicContact CB-CD1 4.12Å; L471-I510 HydrophobicContact CD2-CD1 3.9Å; L471-I513 HydrophobicContact CB-CD1 4.33Å; L471-I513 HydrophobicContact CD2-CD1 4.37Å; L471-I513 HydrophobicContact CD2-CG1 3.89Å; L471-I513 HydrophobicContact CG-CD1 3.77Å; L471-I513 HydrophobicContact CG-CG1 3.86Å
472M96.1Very high92.5Very high32 Ų3228.8 Ų28.816%0.15816%0.161CC..Hα-helixtrans-67-42.7179.3-170.2178.1-72.400111.9M290 V291 K468 Y469 I470 A475 S476 I513M290-M472 HydrophobicContact CE-CE 3.85Å; M290-M472 HydrophobicContact CE-SD 4.39Å; M290-M472 HydrophobicContact CG-CB 4.36Å; M290-M472 HydrophobicContact CG-CE 4.36Å; M290-M472 HydrophobicContact CG-SD 3.73Å; M290-M472 HydrophobicContact SD-CB 4.46Å; M290-M472 HydrophobicContact SD-CE 4.13Å; M290-M472 HydrophobicContact SD-SD 4.25Å; V291-M472 HydrophobicContact CG2-CE 4.48Å; V291-M472 HydrophobicContact CG2-SD 4.22Å; K468-M472 WeakPolarHBondContact O-CB 2.73Å; K468-M472 PolarHBondContact O-N 2.75Å; Y469-M472 PolarHBondContact O-N 2.8Å; I470-M472 PolarHBondContact O-N 3.13Å; M472-A475 PolarHBondContact O-N 3.13Å; M472-S476 PolarHBondContact O-N 2.99Å; M472-I513 VanDerWaalsContact CA-CD1 3.45Å; M472-I513 HydrophobicContact CB-CD1 4Å; M472-I513 HydrophobicContact CG-CD1 4.43Å
473A96.5Very high91.2Very high0 Ų037.8 Ų37.80%020%0.202CC..Hα-helixtrans-67.3-41.3177.500000111.6S294 F299 V427 L431 Y469 I470 A475 S476 M477S294-A473 PolarHBondContact OG-N 3.05Å; F299-A473 HydrophobicContact CD2-CB 4.1Å; F299-A473 HydrophobicContact CE2-CB 3.42Å; F299-A473 VanDerWaalsContact CE2-CB 3.42Å; F299-A473 HydrophobicContact CZ-CB 3.83Å; V427-A473 HydrophobicContact CG1-CB 3.47Å; V427-A473 VanDerWaalsContact CG1-CB 3.47Å; L431-A473 HydrophobicContact CD1-CB 3.75Å; Y469-A473 VanDerWaalsContact O-CB 3.26Å; Y469-A473 WeakPolarHBondContact O-CB 3.45Å; Y469-A473 PolarHBondContact O-N 2.62Å; I470-A473 PolarHBondContact O-N 3.29Å; A473-A475 VanDerWaalsContact C-N 3.33Å; A473-A475 PolarHBondContact O-N 3.37Å; A473-S476 PolarHBondContact O-N 3.36Å; A473-S476 PolarHBondContact O-OG 2.96Å; A473-M477 WeakPolarHBondContact O-CB 3.29Å; A473-M477 VanDerWaalsContact O-CG 3.29Å; A473-M477 WeakPolarHBondContact O-CG 3.31Å; A473-M477 PolarHBondContact O-N 2.91Å
474K95.7Very high90.1Very high8 Ų840.4 Ų40.44%0.03523%0.23CC..Hα-helixtrans-62.2-42.3174.2-171.269.6175-157.40111.2L431 D434 V436 L443 I470 L471 S476 M477 R478 V487L431-K474 HydrophobicContact CD2-CB 4.28Å; L431-K474 HydrophobicContact CD2-CD 3.8Å; D434-K474 IonicContact OD1-NZ 2.69Å; D434-K474 PolarHBondContact OD1-NZ 3.06Å; V436-K474 HydrophobicContact CB-CD 4.02Å; V436-K474 HydrophobicContact CG1-CB 4.27Å; V436-K474 HydrophobicContact CG1-CD 4.02Å; V436-K474 HydrophobicContact CG1-CG 3.95Å; V436-K474 VanDerWaalsContact O-CE 3.29Å; V436-K474 WeakPolarHBondContact O-CE 3.34Å; V436-K474 PolarHBondContact O-NZ 3.43Å; L443-K474 HydrophobicContact CD1-CG 4.18Å; I470-K474 WeakPolarHBondContact O-CB 3.25Å; I470-K474 PolarHBondContact O-N 2.93Å; L471-K474 PolarHBondContact O-N 2.69Å; K474-S476 VanDerWaalsContact C-N 3.34Å; K474-S476 PolarHBondContact O-N 3.34Å; K474-M477 PolarHBondContact O-N 3.16Å; K474-R478 PolarHBondContact O-N 3.46Å; K474-V487 HydrophobicContact CB-CG1 4.27Å; K474-V487 HydrophobicContact CG-CG1 4.04Å
475A94.5Very high89.4Confident12 Ų1244.8 Ų44.810%0.09924%0.243CC..Hα-helixtrans-61.5-40177.400000112.8L471 M472 A473 V487 I488 I513L471-A475 WeakPolarHBondContact O-CB 3.4Å; L471-A475 PolarHBondContact O-N 3.02Å; M472-A475 PolarHBondContact O-N 3.13Å; A473-A475 VanDerWaalsContact C-N 3.33Å; A473-A475 PolarHBondContact O-N 3.37Å; A475-V487 HydrophobicContact CB-CB 4.43Å; A475-V487 HydrophobicContact CB-CG1 3.85Å; A475-I488 HydrophobicContact CB-CG2 3.69Å; A475-I513 HydrophobicContact CB-CD1 4.13Å
476S93Very high89Confident27 Ų2749.3 Ų49.319%0.18926%0.26CS..Hα-helixtrans-73.5-31.9179.479.10000112.9S294 K297 M472 A473 K474S294-S476 WeakPolarHBondContact O-CB 3.39Å; S294-S476 PolarHBondContact O-OG 3.45Å; K297-S476 WeakPolarHBondContact CE-O 3.22Å; K297-S476 PolarHBondContact NZ-O 3.23Å; M472-S476 PolarHBondContact O-N 2.99Å; A473-S476 PolarHBondContact O-N 3.36Å; A473-S476 PolarHBondContact O-OG 2.96Å; K474-S476 VanDerWaalsContact C-N 3.34Å; K474-S476 PolarHBondContact O-N 3.34Å
477M90.7Very high88.7Confident75 Ų7549.3 Ų49.337%0.36926%0.26SS..Hα-helixtrans-77-45.4177.9-72.9-57.8-69.500112.5K297 T300 L431 A473 K474K297-M477 HydrophobicContact CB-SD 3.85Å; K297-M477 HydrophobicContact CD-SD 3.98Å; K297-M477 HydrophobicContact CG-SD 4.13Å; T300-M477 HydrophobicContact CG2-CE 3.26Å; T300-M477 HydrophobicContact CG2-SD 3.79Å; L431-M477 HydrophobicContact CD1-CG 4.18Å; A473-M477 WeakPolarHBondContact O-CB 3.29Å; A473-M477 VanDerWaalsContact O-CG 3.29Å; A473-M477 WeakPolarHBondContact O-CG 3.31Å; A473-M477 PolarHBondContact O-N 2.91Å; K474-M477 PolarHBondContact O-N 3.16Å
478R84Confident88.5Confident116 Ų11652 Ų5244%0.43827%0.273SS..  trans-135.692-175-170.3168.8-176.4-179.50110.8K474 K480 L481 V487K474-R478 PolarHBondContact O-N 3.46Å; R478-K480 WeakPolarHBondContact CG-O 3.34Å; R478-K480 PolarHBondContact NE-O 3.46Å; R478-K480 PolarHBondContact O-N 3.36Å; R478-L481 HydrophobicContact CG-CD2 4.4Å; R478-V487 WeakPolarHBondContact O-CG2 3.4Å
479A80.6Confident88.3Confident67 Ų6754.1 Ų54.155%0.55428%0.284SS*.SBendtrans-61.7-29.2-177.600000114R486 V487A479-R486 WeakPolarHBondContact O-CA 3.43Å; A479-V487 PolarHBondContact O-N 2.96Å; A479-V487 VanDerWaalsContact O-N 3.16Å
480K80.3Confident88.2Confident137 Ų13754.5 Ų54.560%0.59629%0.286SS*.BIsolated β-bridgetrans-134.4141-177.7-65.9-176.3-179.7179.60113.4R478 R485 R486R478-K480 WeakPolarHBondContact CG-O 3.34Å; R478-K480 PolarHBondContact NE-O 3.46Å; R478-K480 PolarHBondContact O-N 3.36Å; K480-R485 CarbonylContact C-O 3.57Å; K480-R485 WeakPolarHBondContact CA-O 3.46Å; K480-R486 HydrophobicContact CG-CG 4.46Å
481L78.9Confident88.1Confident20 Ų2055.2 Ų55.211%0.10529%0.291CS..  trans-112.360.7175.1-73.9168000111.4A438 L443 R478 R485 V487 M490A438-L481 HydrophobicContact CB-CD1 4.09Å; L443-L481 HydrophobicContact CD2-CD1 3.61Å; R478-L481 HydrophobicContact CG-CD2 4.4Å; L481-R485 HydrophobicContact CB-CB 4.44Å; L481-R485 PolarHBondContact N-O 2.88Å; L481-R485 PolarHBondContact O-NE 2.92Å; L481-R485 VanDerWaalsContact O-NE 3.15Å; L481-R485 PolarHBondContact O-NH2 3.2Å; L481-V487 HydrophobicContact CD1-CG2 3.63Å; L481-V487 HydrophobicContact CG-CG2 3.82Å; L481-M490 HydrophobicContact CD1-CE 4.48Å; L481-M490 HydrophobicContact CD1-SD 3.92Å
482G76.9Confident88.1Confident46 Ų4655.2 Ų55.247%0.47429%0.291SS..SBendtrans59168.2-175.900000113.6G484 R485G482-G484 VanDerWaalsContact C-N 3.26Å; G482-G484 PolarHBondContact O-N 3.48Å; G482-R485 PolarHBondContact O-N 3.03Å
483H72Confident88.2Confident188 Ų18853.7 Ų53.787%0.8728%0.283SS*.THydrogen-bonded Turntrans45.638.8166.8-138.8-73.4000116.8R485H483-R485 VanDerWaalsContact C-N 3.26Å; H483-R485 PolarHBondContact O-N 3.3Å
484G73.7Confident88.3Confident59 Ų5953.7 Ų53.761%0.60828%0.283SS*.THydrogen-bonded Turntrans77.2-4.7177.800000116.3G482 R486G482-G484 VanDerWaalsContact C-N 3.26Å; G482-G484 PolarHBondContact O-N 3.48Å; G484-R486 PolarHBondContact O-N 3.08Å
485R82.2Confident88.4Confident111 Ų11153.3 Ų53.342%0.41928%0.281SS..  trans-71.1115.6-179.6-68-178-73.4-167.5-7.4111.1K480 L481 G482 H483 M490K480-R485 CarbonylContact C-O 3.57Å; K480-R485 WeakPolarHBondContact CA-O 3.46Å; L481-R485 HydrophobicContact CB-CB 4.44Å; L481-R485 PolarHBondContact N-O 2.88Å; L481-R485 PolarHBondContact O-NE 2.92Å; L481-R485 VanDerWaalsContact O-NE 3.15Å; L481-R485 PolarHBondContact O-NH2 3.2Å; G482-R485 PolarHBondContact O-N 3.03Å; H483-R485 VanDerWaalsContact C-N 3.26Å; H483-R485 PolarHBondContact O-N 3.3Å; R485-M490 HydrophobicContact CB-SD 4.36Å
486R89.4Confident88.5Confident95 Ų9552.9 Ų52.936%0.35828%0.278SS..BIsolated β-bridgetrans-95.8127.1175.2-60.6-168.1-70.2176.3-0.9109.8A479 K480 G484 I488 Q489A479-R486 WeakPolarHBondContact O-CA 3.43Å; K480-R486 HydrophobicContact CG-CG 4.46Å; G484-R486 PolarHBondContact O-N 3.08Å; R486-I488 HydrophobicContact CB-CG1 3.88Å; R486-I488 PolarHBondContact O-N 3.22Å; R486-Q489 HydrophobicContact CB-CG 4.3Å; R486-Q489 PolarHBondContact O-N 3.16Å
487V92.1Very high88.5Confident0 Ų052.1 Ų52.10%027%0.272CS..G310 helixtrans-58.5-36.3-179.1169.50000112.1L443 L471 K474 A475 R478 A479 L481 Q489 M490L443-V487 HydrophobicContact CD1-CG1 3.84Å; L471-V487 HydrophobicContact CD1-CG1 4.33Å; K474-V487 HydrophobicContact CB-CG1 4.27Å; K474-V487 HydrophobicContact CG-CG1 4.04Å; A475-V487 HydrophobicContact CB-CB 4.43Å; A475-V487 HydrophobicContact CB-CG1 3.85Å; R478-V487 WeakPolarHBondContact O-CG2 3.4Å; A479-V487 PolarHBondContact O-N 2.96Å; A479-V487 VanDerWaalsContact O-N 3.16Å; L481-V487 HydrophobicContact CD1-CG2 3.63Å; L481-V487 HydrophobicContact CG-CG2 3.82Å; V487-Q489 PolarHBondContact O-N 3.49Å; V487-Q489 VanDerWaalsContact O-N 3.08Å; V487-M490 PolarHBondContact O-N 2.93Å
488I92.4Very high88.6Confident56 Ų5648.6 Ų48.629%0.28725%0.254SS..G310 helixtrans-59-21.7176.655.4162.6000114.1A475 R486 I513 H514A475-I488 HydrophobicContact CB-CG2 3.69Å; R486-I488 HydrophobicContact CB-CG1 3.88Å; R486-I488 PolarHBondContact O-N 3.22Å; I488-I513 PolarHBondContact O-N 2.91Å; I488-H514 VanDerWaalsContact O-CB 3.23Å; I488-H514 WeakPolarHBondContact O-CB 3.34Å; I488-H514 PolarHBondContact O-N 3.19Å
489Q93.1Very high88.8Confident86 Ų8647.4 Ų47.440%0.40225%0.252SS..G310 helixtrans-99.2-3.4179.4-66.1179.1-63.300112.9R486 V487 P512 H514R486-Q489 HydrophobicContact CB-CG 4.3Å; R486-Q489 PolarHBondContact O-N 3.16Å; V487-Q489 PolarHBondContact O-N 3.49Å; V487-Q489 VanDerWaalsContact O-N 3.08Å; Q489-P512 WeakPolarHBondContact O-CG 3.49Å; Q489-H514 HydrophobicContact CG-CB 4.14Å
490M94.9Very high89.1Confident9 Ų948 Ų484%0.04425%0.253CS..SBendtrans-95.9131.7-179.7-63.7179.470.800109.2A438 L443 L481 R485 V487A438-M490 HydrophobicContact CB-CE 4.02Å; L443-M490 HydrophobicContact CD2-CE 3.82Å; L443-M490 HydrophobicContact CD2-SD 4.2Å; L443-M490 HydrophobicContact CG-CB 4.12Å; L443-M490 HydrophobicContact CG-CE 4.17Å; L443-M490 HydrophobicContact CG-SD 4.47Å; L481-M490 HydrophobicContact CD1-CE 4.48Å; L481-M490 HydrophobicContact CD1-SD 3.92Å; R485-M490 HydrophobicContact CB-SD 4.36Å; V487-M490 PolarHBondContact O-N 2.93Å
491P96.3Very high89.6Confident15 Ų1544.4 Ų44.410%0.09724%0.24CC..  trans-72.4168.4169.930.6-32.5000110.8F442 L443 I510 P512 F522F442-P491 HydrophobicContact CB-CG 3.78Å; L443-P491 PolarHBondContact N-O 2.86Å; P491-I510 WeakPolarHBondContact CA-O 3.43Å; P491-I510 VanDerWaalsContact CB-O 3.24Å; P491-I510 WeakPolarHBondContact CB-O 3.29Å; P491-P512 HydrophobicContact CB-CG 4.25Å; P491-F522 HydrophobicContact CB-CE2 3.6Å; P491-F522 HydrophobicContact CB-CZ 3.62Å; P491-F522 HydrophobicContact CG-CE2 4.34Å; P491-F522 HydrophobicContact CG-CZ 3.94Å
492L97.7Very high90.2Very high0 Ų048.5 Ų48.50%026%0.262CS..EExtended strand (participates in β ladder)trans-124.2135.4178.2175.170.7000110.8V436 L443 V445 S467 I470 L471 V494 I510V436-L492 HydrophobicContact CG1-CD1 4.4Å; L443-L492 HydrophobicContact CB-CB 4.49Å; L443-L492 HydrophobicContact CB-CD1 3.68Å; L443-L492 CarbonylContact O-C 3.59Å; L443-L492 WeakPolarHBondContact O-CA 3.34Å; V445-L492 HydrophobicContact CG1-CD1 4.26Å; S467-L492 WeakPolarHBondContact O-CD2 3.46Å; I470-L492 HydrophobicContact CB-CD2 4.03Å; I470-L492 HydrophobicContact CG2-CD2 3.8Å; L471-L492 HydrophobicContact CB-CB 4.45Å; L471-L492 HydrophobicContact CB-CD2 4.14Å; L471-L492 HydrophobicContact CD1-CB 4.28Å; L471-L492 HydrophobicContact CD2-CB 4.28Å; L492-V494 HydrophobicContact CD2-CG2 3.6Å; L492-V494 HydrophobicContact CG-CG2 3.82Å; L492-I510 HydrophobicContact CB-CD1 4Å; L492-I510 HydrophobicContact CB-CG1 3.7Å; L492-I510 HydrophobicContact CD2-CD1 4.11Å; L492-I510 HydrophobicContact CD2-CG1 4.46Å; L492-I510 HydrophobicContact CG-CG1 4.39Å; L492-I510 PolarHBondContact N-O 2.7Å; L492-I510 WeakPolarHBondContact O-CG1 3.3Å; L492-I510 PolarHBondContact O-N 2.87Å
493I98.4Very high91.2Very high0 Ų050.9 Ų50.90%026%0.264CS..EExtended strand (participates in β ladder)trans-107.7115.2166.2-56.6179.3000108.5F442 L443 Y444 V445 L507 L508 F522 F526 F558 L561F442-I493 HydrophobicContact CD2-CD1 3.68Å; F442-I493 HydrophobicContact CD2-CG1 3.99Å; F442-I493 HydrophobicContact CE2-CD1 3.56Å; F442-I493 HydrophobicContact CE2-CG1 4.28Å; F442-I493 HydrophobicContact CG-CD1 4.28Å; F442-I493 HydrophobicContact CZ-CD1 4.06Å; L443-I493 PolarHBondContact O-N 3.21Å; Y444-I493 WeakPolarHBondContact CA-O 3.43Å; Y444-I493 WeakPolarHBondContact CB-O 3.49Å; V445-I493 PolarHBondContact N-O 3.28Å; V445-I493 VanDerWaalsContact N-O 3.11Å; I493-L507 HydrophobicContact CG2-CB 4.3Å; I493-L507 HydrophobicContact CG2-CD2 4.32Å; I493-L507 HydrophobicContact CG2-CG 4.12Å; I493-L508 WeakPolarHBondContact CA-O 3.25Å; I493-F522 HydrophobicContact CD1-CE1 3.81Å; I493-F522 HydrophobicContact CG1-CD1 4.46Å; I493-F522 HydrophobicContact CG1-CE1 3.66Å; I493-F522 HydrophobicContact CG1-CZ 4.01Å; I493-F526 HydrophobicContact CD1-CE1 4.23Å; I493-F558 HydrophobicContact CG2-CE2 4.43Å; I493-F558 HydrophobicContact CG2-CZ 4.12Å; I493-L561 HydrophobicContact CD1-CD1 3.79Å
494V98.1Very high92.3Very high0 Ų044.6 Ų44.60%023%0.233CC..EExtended strand (participates in β ladder)trans-96126.6173.2-177.60000109.3V445 I447 L463 S467 L492 V496 L507 L508V445-V494 HydrophobicContact CG1-CB 4.23Å; V445-V494 HydrophobicContact CG1-CG1 4.03Å; V445-V494 HydrophobicContact CG1-CG2 3.81Å; I447-V494 HydrophobicContact CD1-CG1 4.09Å; L463-V494 HydrophobicContact CD1-CB 4.41Å; L463-V494 HydrophobicContact CD1-CG1 3.68Å; S467-V494 WeakPolarHBondContact OG-CG2 2.89Å; L492-V494 HydrophobicContact CD2-CG2 3.6Å; L492-V494 HydrophobicContact CG-CG2 3.82Å; V494-V496 HydrophobicContact CG1-CG1 4.26Å; V494-L507 WeakPolarHBondContact O-CA 3.38Å; V494-L508 PolarHBondContact N-O 3.31Å; V494-L508 PolarHBondContact O-N 3.15Å
495C97.3Very high93.4Very high0 Ų041.9 Ų41.90%020%0.204CC..EExtended strand (participates in β ladder)trans-106.9129.8176.2-51.50000109.2V445 Y446 I447 I505 S506V445-C495 PolarHBondContact O-N 2.74Å; Y446-C495 CarbonylContact C-O 3.58Å; Y446-C495 WeakPolarHBondContact CA-O 3.49Å; Y446-C495 HydrophobicContact CD2-CB 4.04Å; Y446-C495 WeakPolarHBondContact CD2-O 3.35Å; Y446-C495 HydrophobicContact CG-CB 4.06Å; I447-C495 PolarHBondContact N-O 3.24Å; C495-I505 HydrophobicContact CB-CD1 4.43Å; C495-S506 WeakPolarHBondContact CA-O 3.33Å
496V95.8Very high94.1Very high4 Ų436.8 Ų36.82%0.02419%0.186CC..EExtended strand (participates in β ladder)trans-128.6151172.6-58.70000109.8I447 L463 V494 S498 I505 S506I447-V496 HydrophobicContact CB-CG1 4.22Å; L463-V496 HydrophobicContact CD1-CG1 3.75Å; L463-V496 HydrophobicContact CD2-CG1 4.24Å; L463-V496 HydrophobicContact CD2-CG2 4.04Å; V494-V496 HydrophobicContact CG1-CG1 4.26Å; V496-S498 PolarHBondContact O-N 3.3Å; V496-I505 CarbonylContact O-C 3.56Å; V496-I505 VanDerWaalsContact O-CA 3.24Å; V496-I505 WeakPolarHBondContact O-CA 3.23Å; V496-I505 WeakPolarHBondContact O-CB 3.25Å; V496-S506 PolarHBondContact N-O 3.01Å; V496-S506 PolarHBondContact O-N 2.99Å
497D94.1Very high94.5Very high11 Ų1132.3 Ų32.36%0.05917%0.169CC..EExtended strand (participates in β ladder)trans-62.4134.7172.6-71.6-25.3000110.9Y446 K449 R551Y446-D497 VanDerWaalsContact CE2-OD1 3.29Å; Y446-D497 WeakPolarHBondContact CE2-OD1 3.44Å; Y446-D497 PolarHBondContact OH-OD1 3.49Å; K449-D497 HydrophobicContact CB-CB 3.94Å; K449-D497 WeakPolarHBondContact CB-OD2 3.21Å; K449-D497 PolarHBondContact N-OD2 2.78Å; D497-R551 IonicContact OD1-CZ 3.15Å; D497-R551 IonicContact OD1-NH1 3.77Å; D497-R551 PolarHBondContact OD1-NH1 3.42Å; D497-R551 IonicContact OD1-NH2 2.97Å; D497-R551 PolarHBondContact OD1-NH2 3.43Å; D497-R551 VanDerWaalsContact OD1-NH2 3.16Å; D497-R551 IonicContact OD2-NH1 3.1Å; D497-R551 IonicContact OD2-NH2 3.73Å
498S92.5Very high94.8Very high1 Ų132.5 Ų32.51%0.00717%0.17CC..  trans-57.7152.5-179.5-178.70000112V496 S500 D501 Y504 E548V496-S498 PolarHBondContact O-N 3.3Å; S498-S500 PolarHBondContact OG-N 3.25Å; S498-S500 PolarHBondContact OG-OG 3.18Å; S498-D501 VanDerWaalsContact CB-O 3.32Å; S498-D501 WeakPolarHBondContact CB-O 3.23Å; S498-Y504 VanDerWaalsContact CB-O 3.24Å; S498-Y504 WeakPolarHBondContact CB-O 3.05Å; S498-Y504 PolarHBondContact N-O 3.39Å; S498-Y504 VanDerWaalsContact N-O 3.13Å; S498-E548 WeakPolarHBondContact CB-OE2 3.44Å; S498-E548 PolarHBondContact OG-OE2 3.03Å
499K88.1Confident95Very high90 Ų9029.9 Ų29.939%0.39116%0.156SC..SBendtrans-79.8-26.5173.6-65.8-179.8-170.3145.20113.1R458 N459R458-K499 HydrophobicContact CB-CG 4.22Å; R458-K499 WeakPolarHBondContact O-CE 3.3Å; R458-K499 PolarHBondContact O-NZ 3.06Å; N459-K499 WeakPolarHBondContact OD1-CE 3.47Å; N459-K499 PolarHBondContact OD1-NZ 3.22Å
500S86.4Confident95.2Very high81 Ų8126.5 Ų26.557%0.56614%0.141SC*.SBendtrans-107.9-29.6-168.545.50000114.4S498 K540S498-S500 PolarHBondContact OG-N 3.25Å; S498-S500 PolarHBondContact OG-OG 3.18Å; S500-K540 PolarHBondContact OG-NZ 3.12Å
501D91.7Very high95.2Very high61 Ų6127.5 Ų27.533%0.32615%0.148SC..  trans-140.8119.3-175.8-171.2-25.7000110.5S498 N503 Y504S498-D501 VanDerWaalsContact CB-O 3.32Å; S498-D501 WeakPolarHBondContact CB-O 3.23Å; D501-N503 PolarHBondContact O-N 3.27Å; D501-N503 VanDerWaalsContact O-N 3.11Å; D501-N503 WeakPolarHBondContact OD1-CB 3.17Å; D501-N503 PolarHBondContact OD1-N 3.06Å; D501-N503 PolarHBondContact OD1-ND2 2.74Å; D501-N503 VanDerWaalsContact OD1-ND2 3.13Å; D501-Y504 HydrophobicContact CB-CD2 3.9Å; D501-Y504 HydrophobicContact CB-CG 4.48Å; D501-Y504 PolarHBondContact O-N 2.89Å; D501-Y504 WeakPolarHBondContact OD2-CD2 3.29Å
502D91.9Very high95.1Very high106 Ų10628.6 Ų28.657%0.56716%0.155SC*.THydrogen-bonded Turntrans-64.3-14.9-179.8-74.3-30.9000112.8K449 Y504 R551K449-D502 IonicContact NZ-OD1 3.79Å; D502-Y504 VanDerWaalsContact C-N 3.32Å; D502-R551 PolarHBondContact O-NE 3.32Å; D502-R551 PolarHBondContact O-NH2 2.95Å
503N96.1Very high94.8Very high96 Ų9630.8 Ų30.851%0.51317%0.167SC..THydrogen-bonded Turntrans-83.4-8.5174-58.9-59.8000113.7D501 R551D501-N503 PolarHBondContact O-N 3.27Å; D501-N503 VanDerWaalsContact O-N 3.11Å; D501-N503 WeakPolarHBondContact OD1-CB 3.17Å; D501-N503 PolarHBondContact OD1-N 3.06Å; D501-N503 PolarHBondContact OD1-ND2 2.74Å; D501-N503 VanDerWaalsContact OD1-ND2 3.13Å; N503-R551 WeakPolarHBondContact O-CG 3.43Å; N503-R551 PolarHBondContact O-N 3.26Å
504Y96.9Very high94.1Very high56 Ų5635.9 Ų35.922%0.2219%0.19CC..EExtended strand (participates in β ladder)trans-111.8156.3-177.3-76-106.4000112.2S498 D501 D502 E548 L549 H550S498-Y504 VanDerWaalsContact CB-O 3.24Å; S498-Y504 WeakPolarHBondContact CB-O 3.05Å; S498-Y504 PolarHBondContact N-O 3.39Å; S498-Y504 VanDerWaalsContact N-O 3.13Å; D501-Y504 HydrophobicContact CB-CD2 3.9Å; D501-Y504 HydrophobicContact CB-CG 4.48Å; D501-Y504 PolarHBondContact O-N 2.89Å; D501-Y504 WeakPolarHBondContact OD2-CD2 3.29Å; D502-Y504 VanDerWaalsContact C-N 3.32Å; Y504-E548 HydrophobicContact CD1-CB 4.1Å; Y504-L549 CarbonylContact C-O 3.5Å; Y504-L549 VanDerWaalsContact CA-O 3.31Å; Y504-L549 WeakPolarHBondContact CA-O 3.33Å; Y504-H550 HydrophobicContact CD1-CB 4.38Å; Y504-H550 HydrophobicContact CE1-CB 4.02Å; Y504-H550 HydrophobicContact CE2-CB 4.49Å; Y504-H550 AromaticContact CE2-CD2 3.77Å
505I96.4Very high93.4Very high1 Ų138 Ų381%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-125.3144.2170.249.1169.6000109Y446 C495 V496 L507 L549 R551 M554Y446-I505 HydrophobicContact CE1-CG2 4.44Å; Y446-I505 HydrophobicContact CE2-CG2 4.04Å; Y446-I505 VanDerWaalsContact OH-CG2 3.26Å; Y446-I505 WeakPolarHBondContact OH-CG2 3.22Å; C495-I505 HydrophobicContact CB-CD1 4.43Å; V496-I505 CarbonylContact O-C 3.56Å; V496-I505 VanDerWaalsContact O-CA 3.24Å; V496-I505 WeakPolarHBondContact O-CA 3.23Å; V496-I505 WeakPolarHBondContact O-CB 3.25Å; I505-L507 HydrophobicContact CB-CD1 4.28Å; I505-L507 HydrophobicContact CD1-CD1 3.54Å; I505-L507 HydrophobicContact CG1-CD1 3.62Å; I505-L549 HydrophobicContact CD1-CD2 4.49Å; I505-L549 HydrophobicContact CG1-CB 4.25Å; I505-L549 VanDerWaalsContact CG1-O 3.31Å; I505-L549 WeakPolarHBondContact CG1-O 3.4Å; I505-L549 PolarHBondContact N-O 3.22Å; I505-L549 PolarHBondContact O-N 2.69Å; I505-R551 HydrophobicContact CG1-CG 4.35Å; I505-R551 HydrophobicContact CG2-CG 3.67Å; I505-M554 HydrophobicContact CD1-CB 4.32Å; I505-M554 HydrophobicContact CD1-CG 4.19Å; I505-M554 HydrophobicContact CD1-SD 3.96Å
506S96.3Very high92.6Very high5 Ų543.8 Ų43.84%0.03524%0.243CC..EExtended strand (participates in β ladder)trans-88.5127.3170.2-42.20000108.8C495 V496 Y541 I547 E548C495-S506 WeakPolarHBondContact CA-O 3.33Å; V496-S506 PolarHBondContact N-O 3.01Å; V496-S506 PolarHBondContact O-N 2.99Å; S506-Y541 PolarHBondContact OG-OH 2.89Å; S506-I547 CarbonylContact C-O 3.47Å; S506-I547 WeakPolarHBondContact CA-O 3.4Å; S506-E548 VanDerWaalsContact CB-OE1 3.25Å; S506-E548 WeakPolarHBondContact CB-OE1 3.48Å; S506-E548 PolarHBondContact OG-OE1 3.42Å
507L97.5Very high92.3Very high0 Ų047.4 Ų47.40%026%0.262CS..EExtended strand (participates in β ladder)trans-106.4128.1174.7-83.360000108.7I493 V494 I505 F526 C546 I547 L549 L557 F558I493-L507 HydrophobicContact CG2-CB 4.3Å; I493-L507 HydrophobicContact CG2-CD2 4.32Å; I493-L507 HydrophobicContact CG2-CG 4.12Å; V494-L507 WeakPolarHBondContact O-CA 3.38Å; I505-L507 HydrophobicContact CB-CD1 4.28Å; I505-L507 HydrophobicContact CD1-CD1 3.54Å; I505-L507 HydrophobicContact CG1-CD1 3.62Å; L507-F526 HydrophobicContact CB-CZ 4.35Å; L507-C546 WeakPolarHBondContact O-CA 3.13Å; L507-I547 HydrophobicContact CB-CG1 3.94Å; L507-I547 HydrophobicContact CD2-CD1 4.38Å; L507-I547 PolarHBondContact N-O 3.2Å; L507-I547 PolarHBondContact O-N 2.92Å; L507-L549 HydrophobicContact CD1-CB 3.86Å; L507-L549 HydrophobicContact CD1-CD2 4.01Å; L507-L549 HydrophobicContact CD2-CB 4.49Å; L507-L549 HydrophobicContact CD2-CD2 3.73Å; L507-L557 HydrophobicContact CD2-CD2 3.8Å; L507-F558 HydrophobicContact CD2-CE2 3.92Å
508L97.9Very high92.1Very high5 Ų548.6 Ų48.63%0.02627%0.268CS..EExtended strand (participates in β ladder)trans-114.9119.7170.1-179.266.8000109.7L463 A464 I493 V494 I510 N545 C546L463-L508 HydrophobicContact CB-CD2 4.35Å; L463-L508 HydrophobicContact CD2-CB 4.07Å; L463-L508 HydrophobicContact CD2-CD2 4.12Å; L463-L508 HydrophobicContact CG-CB 4.46Å; L463-L508 HydrophobicContact CG-CD2 3.76Å; A464-L508 HydrophobicContact CB-CD2 4.39Å; I493-L508 WeakPolarHBondContact CA-O 3.25Å; V494-L508 PolarHBondContact N-O 3.31Å; V494-L508 PolarHBondContact O-N 3.15Å; L508-I510 HydrophobicContact CD2-CG2 4.38Å; L508-I510 HydrophobicContact CG-CG2 4.27Å; L508-N545 WeakPolarHBondContact CD1-ND2 3.24Å; L508-C546 HydrophobicContact CD1-CB 4.03Å
509G97.9Very high92.2Very high0 Ų053.1 Ų53.10%029%0.285CS..EExtended strand (participates in β ladder)trans-94.6125.617400000111.8N520 F522 N545G509-N520 PolarHBondContact O-ND2 2.96Å; G509-F522 VanDerWaalsContact C-CD2 3.43Å; G509-N545 PolarHBondContact N-O 3.39Å; G509-N545 PolarHBondContact O-ND2 3.05Å
510I96.2Very high92.6Very high15 Ų1549.5 Ų49.58%0.07727%0.27CS..EExtended strand (participates in β ladder)trans-120.5138.717462.7156.1000111.5S467 L471 P491 L492 L508 F522S467-I510 VanDerWaalsContact C-CD1 3.43Å; S467-I510 WeakPolarHBondContact O-CD1 3.38Å; L471-I510 HydrophobicContact CB-CD1 4.12Å; L471-I510 HydrophobicContact CD2-CD1 3.9Å; P491-I510 WeakPolarHBondContact CA-O 3.43Å; P491-I510 VanDerWaalsContact CB-O 3.24Å; P491-I510 WeakPolarHBondContact CB-O 3.29Å; L492-I510 HydrophobicContact CB-CD1 4Å; L492-I510 HydrophobicContact CB-CG1 3.7Å; L492-I510 HydrophobicContact CD2-CD1 4.11Å; L492-I510 HydrophobicContact CD2-CG1 4.46Å; L492-I510 HydrophobicContact CG-CG1 4.39Å; L492-I510 PolarHBondContact N-O 2.7Å; L492-I510 WeakPolarHBondContact O-CG1 3.3Å; L492-I510 PolarHBondContact O-N 2.87Å; L508-I510 HydrophobicContact CD2-CG2 4.38Å; L508-I510 HydrophobicContact CG-CG2 4.27Å; I510-F522 WeakPolarHBondContact O-CE2 3.23Å
511P95.5Very high93Very high30 Ų3048.3 Ų48.320%0.19526%0.257CS..  trans-67.5167.9-179.829.3-35.5000112
512P94.7Very high93.2Very high38 Ų3845.4 Ų45.425%0.24724%0.242CC..  trans-56.1164.1174.4-22.834.6000113.3Q489 P491Q489-P512 WeakPolarHBondContact O-CG 3.49Å; P491-P512 HydrophobicContact CB-CG 4.25Å
513I91.6Very high93.4Very high47 Ų4740.6 Ų40.624%0.24122%0.217CC..SBendtrans-76.4-32.6171.1-64.5168.4000110.8L471 M472 A475 I488L471-I513 HydrophobicContact CB-CD1 4.33Å; L471-I513 HydrophobicContact CD2-CD1 4.37Å; L471-I513 HydrophobicContact CD2-CG1 3.89Å; L471-I513 HydrophobicContact CG-CD1 3.77Å; L471-I513 HydrophobicContact CG-CG1 3.86Å; M472-I513 VanDerWaalsContact CA-CD1 3.45Å; M472-I513 HydrophobicContact CB-CD1 4Å; M472-I513 HydrophobicContact CG-CD1 4.43Å; A475-I513 HydrophobicContact CB-CD1 4.13Å; I488-I513 PolarHBondContact O-N 2.91Å
514H83.4Confident93.3Very high107 Ų10738.7 Ų38.750%0.49521%0.205SC..SBendtrans-75.6131.9-178.5176.3-73.1000111.6I488 Q489I488-H514 VanDerWaalsContact O-CB 3.23Å; I488-H514 WeakPolarHBondContact O-CB 3.34Å; I488-H514 PolarHBondContact O-N 3.19Å; Q489-H514 HydrophobicContact CG-CB 4.14Å
515G83.4Confident93.3Very high44 Ų4436.4 Ų36.445%0.45420%0.198SC..SBendtrans105.815817900000111.1
516D81.1Confident93.4Very high121 Ų12136.4 Ų36.465%0.64720%0.198SC*.SBendtrans-102.24.7-175.1-52.4-47.4000112N226 D518N226-D516 PolarHBondContact ND2-O 3.24Å; D516-D518 PolarHBondContact O-N 3.08Å
517D88.3Confident93.4Very high80 Ų8041 Ų4143%0.42822%0.219SC..  trans-78.5119.9177.2-162.7-10.7000110.6R519D517-R519 VanDerWaalsContact C-N 3.33Å; D517-R519 WeakPolarHBondContact OD1-CB 3.14Å; D517-R519 WeakPolarHBondContact OD1-CG 2.99Å; D517-R519 IonicContact OD1-CZ 3.43Å; D517-R519 PolarHBondContact OD1-N 3.48Å; D517-R519 IonicContact OD1-NE 3.82Å; D517-R519 PolarHBondContact OD1-NE 3.46Å; D517-R519 IonicContact OD1-NH2 2.74Å; D517-R519 IonicContact OD2-CZ 2.69Å; D517-R519 IonicContact OD2-NE 2.77Å; D517-R519 PolarHBondContact OD2-NE 3.21Å; D517-R519 VanDerWaalsContact OD2-NE 3.11Å; D517-R519 IonicContact OD2-NH2 2.76Å; D517-R519 PolarHBondContact OD2-NH2 3.4Å
518D90Very high93.3Very high37 Ų3743 Ų4320%0.19824%0.235CC..  trans-88.7-1.717664.8-6.4000113.3N226 H229 D516N226-D518 HydrophobicContact CB-CB 3.86Å; H229-D518 IonicContact CG-OD2 3.16Å; H229-D518 IonicContact ND1-OD2 3.92Å; H229-D518 PolarHBondContact ND1-OD2 3.12Å; D516-D518 PolarHBondContact O-N 3.08Å
519R94.5Very high93.3Very high95 Ų9542.7 Ų42.736%0.35823%0.234SC..  trans-72.5143.4175.5-61.9-179.9-61.21685.3112.1F183 Y185 D517F183-R519 HydrophobicContact CB-CB 3.94Å; F183-R519 HydrophobicContact CB-CG 4.45Å; F183-R519 HydrophobicContact CD1-CB 4Å; F183-R519 HydrophobicContact CG-CB 4.13Å; Y185-R519 HydrophobicContact CD1-CG 4.34Å; Y185-R519 HydrophobicContact CG-CG 4.24Å; D517-R519 VanDerWaalsContact C-N 3.33Å; D517-R519 WeakPolarHBondContact OD1-CB 3.14Å; D517-R519 WeakPolarHBondContact OD1-CG 2.99Å; D517-R519 IonicContact OD1-CZ 3.43Å; D517-R519 PolarHBondContact OD1-N 3.48Å; D517-R519 IonicContact OD1-NE 3.82Å; D517-R519 PolarHBondContact OD1-NE 3.46Å; D517-R519 IonicContact OD1-NH2 2.74Å; D517-R519 IonicContact OD2-CZ 2.69Å; D517-R519 IonicContact OD2-NE 2.77Å; D517-R519 PolarHBondContact OD2-NE 3.21Å; D517-R519 VanDerWaalsContact OD2-NE 3.11Å; D517-R519 IonicContact OD2-NH2 2.76Å; D517-R519 PolarHBondContact OD2-NH2 3.4Å
520N96Very high93.3Very high15 Ų1544 Ų448%0.0824%0.24CC..BIsolated β-bridgetrans-115.1118.7-176.4-169.1-28.3000111.7S184 G509 F522 N545S184-N520 PolarHBondContact N-O 3.39Å; S184-N520 PolarHBondContact O-N 3.2Å; S184-N520 PolarHBondContact OG-O 2.87Å; G509-N520 PolarHBondContact O-ND2 2.96Å; N520-F522 WeakPolarHBondContact OD1-CB 3.4Å; N520-F522 WeakPolarHBondContact OD1-CD2 3.34Å; N520-F522 PolarHBondContact OD1-N 3.01Å; N520-N545 WeakPolarHBondContact ND2-CB 3.38Å; N520-N545 PolarHBondContact ND2-ND2 3.35Å
521L95.3Very high93.3Very high55 Ų5547.4 Ų47.429%0.28827%0.266SS..  trans-80.8-12.5-179.566.586.5000114.5F183 G523 Q524 A525 L565F183-L521 HydrophobicContact CD1-CB 4.13Å; F183-L521 HydrophobicContact CE1-CB 4.01Å; L521-G523 VanDerWaalsContact C-N 3.31Å; L521-G523 PolarHBondContact O-N 2.7Å; L521-Q524 PolarHBondContact O-N 3.32Å; L521-A525 HydrophobicContact CD1-CB 3.95Å; L521-A525 PolarHBondContact O-N 2.86Å; L521-L565 HydrophobicContact CD1-CD2 3.41Å; L521-L565 VanDerWaalsContact CD1-CD2 3.41Å
522F97Very high93.4Very high0 Ų053.4 Ų53.40%029%0.285CS..Hα-helixtrans-69-26.8-168.9-83.9-77.8000113.9P491 I493 G509 I510 N520 A525 F526 N545 L565P491-F522 HydrophobicContact CB-CE2 3.6Å; P491-F522 HydrophobicContact CB-CZ 3.62Å; P491-F522 HydrophobicContact CG-CE2 4.34Å; P491-F522 HydrophobicContact CG-CZ 3.94Å; I493-F522 HydrophobicContact CD1-CE1 3.81Å; I493-F522 HydrophobicContact CG1-CD1 4.46Å; I493-F522 HydrophobicContact CG1-CE1 3.66Å; I493-F522 HydrophobicContact CG1-CZ 4.01Å; G509-F522 VanDerWaalsContact C-CD2 3.43Å; I510-F522 WeakPolarHBondContact O-CE2 3.23Å; N520-F522 WeakPolarHBondContact OD1-CB 3.4Å; N520-F522 WeakPolarHBondContact OD1-CD2 3.34Å; N520-F522 PolarHBondContact OD1-N 3.01Å; F522-A525 PolarHBondContact O-N 3.26Å; F522-F526 HydrophobicContact CB-CD2 4.25Å; F522-F526 HydrophobicContact CB-CE2 3.89Å; F522-F526 HydrophobicContact CB-CZ 4.13Å; F522-F526 HydrophobicContact CD1-CD1 4.44Å; F522-F526 AromaticContact CD1-CE1 3.78Å; F522-F526 HydrophobicContact CD1-CE1 3.78Å; F522-F526 HydrophobicContact CD1-CE2 4.32Å; F522-F526 AromaticContact CD1-CZ 3.7Å; F522-F526 HydrophobicContact CD1-CZ 3.7Å; F522-F526 HydrophobicContact CE1-CE1 4.45Å; F522-F526 HydrophobicContact CG-CE2 4.49Å; F522-F526 HydrophobicContact CG-CZ 4.24Å; F522-F526 VanDerWaalsContact O-CB 3.26Å; F522-F526 WeakPolarHBondContact O-CB 3.32Å; F522-F526 WeakPolarHBondContact O-CD2 3.4Å; F522-F526 WeakPolarHBondContact O-CG 3.42Å; F522-F526 PolarHBondContact O-N 2.88Å; F522-N545 HydrophobicContact CB-CB 4.05Å; F522-L565 HydrophobicContact CE1-CD1 4.04Å; F522-L565 HydrophobicContact CZ-CD1 4.35Å
523G95.4Very high93.5Very high5 Ų553.2 Ų53.25%0.05228%0.282CS..Hα-helixtrans-55.1-55.3173.200000111.4L521 F526 E527 T544L521-G523 VanDerWaalsContact C-N 3.31Å; L521-G523 PolarHBondContact O-N 2.7Å; G523-F526 PolarHBondContact O-N 2.88Å; G523-E527 PolarHBondContact O-N 2.93Å; G523-E527 VanDerWaalsContact O-N 3.12Å; G523-T544 WeakPolarHBondContact CA-O 3.46Å
524Q94.9Very high93.8Very high56 Ų5659.6 Ų59.626%0.26231%0.308SS..Hα-helixtrans-66.8-42177.4-169.4-170.133.600112.2M178 S182 L521 F526 E527 A528M178-Q524 PolarHBondContact O-NE2 3.21Å; S182-Q524 VanDerWaalsContact CA-CD 3.49Å; S182-Q524 VanDerWaalsContact CA-OE1 3.3Å; S182-Q524 PolarHBondContact O-OE1 2.95Å; S182-Q524 PolarHBondContact OG-NE2 3.11Å; L521-Q524 PolarHBondContact O-N 3.32Å; Q524-F526 VanDerWaalsContact C-N 3.3Å; Q524-F526 PolarHBondContact O-N 3.28Å; Q524-E527 PolarHBondContact O-N 2.95Å; Q524-A528 WeakPolarHBondContact O-CB 3.01Å; Q524-A528 PolarHBondContact O-N 3.01Å
525A96.9Very high94.5Very high9 Ų954.9 Ų54.97%0.07429%0.288CS..Hα-helixtrans-61.5-39.7-179.600000111.9L521 F522 A529 L561 L565L521-A525 HydrophobicContact CD1-CB 3.95Å; L521-A525 PolarHBondContact O-N 2.86Å; F522-A525 PolarHBondContact O-N 3.26Å; A525-A529 VanDerWaalsContact O-CB 3.23Å; A525-A529 WeakPolarHBondContact O-CB 3.38Å; A525-A529 PolarHBondContact O-N 3.07Å; A525-L561 HydrophobicContact CB-CD2 3.9Å; A525-L561 WeakPolarHBondContact O-CD2 3.09Å; A525-L565 HydrophobicContact CB-CD2 4.26Å
526F98Very high95.2Very high0 Ų057.7 Ų57.70%029%0.285CS..Hα-helixtrans-64.8-46.1173.6-69.3-30.2000111.6I493 L507 F522 G523 Q524 A528 A529 I530 F539 N545 I547 L561I493-F526 HydrophobicContact CD1-CE1 4.23Å; L507-F526 HydrophobicContact CB-CZ 4.35Å; F522-F526 HydrophobicContact CB-CD2 4.25Å; F522-F526 HydrophobicContact CB-CE2 3.89Å; F522-F526 HydrophobicContact CB-CZ 4.13Å; F522-F526 HydrophobicContact CD1-CD1 4.44Å; F522-F526 AromaticContact CD1-CE1 3.78Å; F522-F526 HydrophobicContact CD1-CE1 3.78Å; F522-F526 HydrophobicContact CD1-CE2 4.32Å; F522-F526 AromaticContact CD1-CZ 3.7Å; F522-F526 HydrophobicContact CD1-CZ 3.7Å; F522-F526 HydrophobicContact CE1-CE1 4.45Å; F522-F526 HydrophobicContact CG-CE2 4.49Å; F522-F526 HydrophobicContact CG-CZ 4.24Å; F522-F526 VanDerWaalsContact O-CB 3.26Å; F522-F526 WeakPolarHBondContact O-CB 3.32Å; F522-F526 WeakPolarHBondContact O-CD2 3.4Å; F522-F526 WeakPolarHBondContact O-CG 3.42Å; F522-F526 PolarHBondContact O-N 2.88Å; G523-F526 PolarHBondContact O-N 2.88Å; Q524-F526 VanDerWaalsContact C-N 3.3Å; Q524-F526 PolarHBondContact O-N 3.28Å; F526-A528 PolarHBondContact O-N 2.86Å; F526-A529 PolarHBondContact O-N 2.8Å; F526-I530 HydrophobicContact CB-CD1 4.5Å; F526-I530 WeakPolarHBondContact O-CB 3Å; F526-I530 WeakPolarHBondContact O-CD1 3.37Å; F526-I530 WeakPolarHBondContact O-CG1 3.35Å; F526-I530 PolarHBondContact O-N 3.01Å; F526-F539 HydrophobicContact CB-CE1 4.34Å; F526-F539 HydrophobicContact CB-CZ 3.87Å; F526-N545 WeakPolarHBondContact CE2-O 3.43Å; F526-I547 HydrophobicContact CB-CD1 4.08Å; F526-I547 HydrophobicContact CB-CG2 4.31Å; F526-I547 HydrophobicContact CD1-CD1 4.21Å; F526-I547 HydrophobicContact CD2-CD1 4.18Å; F526-I547 HydrophobicContact CD2-CG1 4.09Å; F526-I547 HydrophobicContact CD2-CG2 3.95Å; F526-I547 HydrophobicContact CE2-CG1 4.35Å; F526-I547 HydrophobicContact CG-CD1 3.91Å; F526-I547 HydrophobicContact CG-CG1 4.33Å; F526-I547 HydrophobicContact CG-CG2 4.43Å; F526-L561 HydrophobicContact CD1-CD1 3.95Å; F526-L561 HydrophobicContact CD1-CD2 3.98Å; F526-L561 HydrophobicContact CE1-CD1 3.84Å; F526-L561 HydrophobicContact CE1-CD2 4.39Å
527E95.9Very high96Very high102 Ų10253.4 Ų53.448%0.47727%0.266SS..Hα-helixtrans-61.2-44.9179.9-174.5171.6-170.400111.9G523 Q524 I530 S531 F539G523-E527 PolarHBondContact O-N 2.93Å; G523-E527 VanDerWaalsContact O-N 3.12Å; Q524-E527 PolarHBondContact O-N 2.95Å; E527-I530 PolarHBondContact O-N 3.05Å; E527-S531 WeakPolarHBondContact O-CB 3.22Å; E527-S531 PolarHBondContact O-N 3.18Å; E527-S531 PolarHBondContact O-OG 2.74Å; E527-F539 HydrophobicContact CB-CE2 4.07Å; E527-F539 HydrophobicContact CB-CZ 3.82Å; E527-F539 HydrophobicContact CG-CE2 4.49Å
528A95.5Very high96.3Very high41 Ų4154.6 Ų54.634%0.33927%0.269SS..Hα-helixtrans-63.1-43.4175.900000112Q524 F526 S531 R532 L564Q524-A528 WeakPolarHBondContact O-CB 3.01Å; Q524-A528 PolarHBondContact O-N 3.01Å; F526-A528 PolarHBondContact O-N 2.86Å; A528-S531 PolarHBondContact O-N 3Å; A528-R532 WeakPolarHBondContact O-CB 3.19Å; A528-R532 PolarHBondContact O-N 3.34Å; A528-L564 HydrophobicContact CB-CD1 3.82Å; A528-L564 HydrophobicContact CB-CD2 4.48Å
529A98Very high96.6Very high0 Ų055.5 Ų55.50%027%0.272CS..Hα-helixtrans-66.6-40.8178.100000112.3A525 F526 R532 T533 L557 A560 L561 L564A525-A529 VanDerWaalsContact O-CB 3.23Å; A525-A529 WeakPolarHBondContact O-CB 3.38Å; A525-A529 PolarHBondContact O-N 3.07Å; F526-A529 PolarHBondContact O-N 2.8Å; A529-R532 PolarHBondContact O-N 2.94Å; A529-T533 WeakPolarHBondContact O-CB 3.38Å; A529-T533 WeakPolarHBondContact O-CG2 3.41Å; A529-T533 PolarHBondContact O-N 3.1Å; A529-T533 VanDerWaalsContact O-N 3.08Å; A529-T533 PolarHBondContact O-OG1 3.39Å; A529-L557 HydrophobicContact CB-CD1 3.59Å; A529-L557 HydrophobicContact CB-CG 4.23Å; A529-A560 HydrophobicContact CB-CB 3.98Å; A529-L561 HydrophobicContact CB-CD2 3.77Å; A529-L561 HydrophobicContact CB-CG 3.78Å; A529-L564 HydrophobicContact CB-CD1 3.98Å
530I98.1Very high96.6Very high27 Ų2752.5 Ų52.514%0.13826%0.261CS..Hα-helixtrans-63-48.6175.5-69.4161.5000109.7F526 E527 R532 T533 K534 A537 F539 I547 L557F526-I530 HydrophobicContact CB-CD1 4.5Å; F526-I530 WeakPolarHBondContact O-CB 3Å; F526-I530 WeakPolarHBondContact O-CD1 3.37Å; F526-I530 WeakPolarHBondContact O-CG1 3.35Å; F526-I530 PolarHBondContact O-N 3.01Å; E527-I530 PolarHBondContact O-N 3.05Å; I530-R532 VanDerWaalsContact C-N 3.32Å; I530-R532 PolarHBondContact O-N 2.87Å; I530-T533 PolarHBondContact O-N 3.14Å; I530-K534 VanDerWaalsContact O-CA 3.28Å; I530-K534 WeakPolarHBondContact O-CA 3.16Å; I530-K534 PolarHBondContact O-N 3.27Å; I530-A537 HydrophobicContact CD1-CB 3.5Å; I530-A537 VanDerWaalsContact CD1-CB 3.5Å; I530-A537 HydrophobicContact CG1-CB 3.75Å; I530-A537 HydrophobicContact CG2-CB 4.48Å; I530-F539 HydrophobicContact CD1-CD2 4.46Å; I530-F539 HydrophobicContact CD1-CE2 3.68Å; I530-F539 HydrophobicContact CD1-CZ 4.22Å; I530-I547 HydrophobicContact CD1-CD1 4Å; I530-L557 HydrophobicContact CG1-CD1 3.75Å
531S96Very high96.6Very high87 Ų8753.1 Ų53.161%0.60826%0.263SS*.Hα-helixtrans-59.6-41.5179.1-63.10000112.2E527 A528E527-S531 WeakPolarHBondContact O-CB 3.22Å; E527-S531 PolarHBondContact O-N 3.18Å; E527-S531 PolarHBondContact O-OG 2.74Å; A528-S531 PolarHBondContact O-N 3Å
532R96.8Very high96.6Very high156 Ų15650.5 Ų50.559%0.58925%0.249SC*.Hα-helixtrans-68.4-34.7178.9-177.5172.3174.6175.2-4.3113.4A528 A529 I530 S563A528-R532 WeakPolarHBondContact O-CB 3.19Å; A528-R532 PolarHBondContact O-N 3.34Å; A529-R532 PolarHBondContact O-N 2.94Å; I530-R532 VanDerWaalsContact C-N 3.32Å; I530-R532 PolarHBondContact O-N 2.87Å; R532-S563 PolarHBondContact NH1-OG 3.41Å
533T97.8Very high96.5Very high33 Ų3351.3 Ų51.320%0.20226%0.255CS..Hα-helixtrans-105.5-12.1-171.260.20000114A529 I530 A535 K556 A560A529-T533 WeakPolarHBondContact O-CB 3.38Å; A529-T533 WeakPolarHBondContact O-CG2 3.41Å; A529-T533 PolarHBondContact O-N 3.1Å; A529-T533 VanDerWaalsContact O-N 3.08Å; A529-T533 PolarHBondContact O-OG1 3.39Å; I530-T533 PolarHBondContact O-N 3.14Å; T533-A535 PolarHBondContact O-N 2.85Å; T533-A535 WeakPolarHBondContact OG1-CB 3.45Å; T533-A535 PolarHBondContact OG1-N 3.18Å; T533-K556 WeakPolarHBondContact CG2-O 3.45Å; T533-A560 HydrophobicContact CG2-CB 3.49Å; T533-A560 VanDerWaalsContact CG2-CB 3.49Å
534K97.5Very high96.5Very high181 Ų18152.5 Ų52.579%0.78726%0.261SS*.THydrogen-bonded Turntrans50.841.9-167.9-55.1-178.8179.8-176.80111.1I530I530-K534 VanDerWaalsContact O-CA 3.28Å; I530-K534 WeakPolarHBondContact O-CA 3.16Å; I530-K534 PolarHBondContact O-N 3.27Å
535A98.1Very high96.6Very high9 Ų951 Ų517%0.07425%0.254CS..  trans-63.9140.7174.100000110.6T533 A537 L549 D553 K556 L557T533-A535 PolarHBondContact O-N 2.85Å; T533-A535 WeakPolarHBondContact OG1-CB 3.45Å; T533-A535 PolarHBondContact OG1-N 3.18Å; A535-A537 PolarHBondContact O-N 3.36Å; A535-L549 HydrophobicContact CB-CD1 3.98Å; A535-D553 HydrophobicContact CB-CB 4.07Å; A535-K556 VanDerWaalsContact CA-CE 3.47Å; A535-L557 HydrophobicContact CB-CD1 4.13Å
536R98.2Very high96.6Very high103 Ų10351 Ų5139%0.38925%0.254SS..  trans-73.392.6171.3-67167.1-72.1179.7-6.6107.7H550 E552 D553R536-H550 HydrophobicContact CB-CB 3.68Å; R536-H550 VanDerWaalsContact CZ-ND1 3.3Å; R536-H550 PolarHBondContact NH1-CE1 2.99Å; R536-H550 PolarHBondContact NH1-NE2 3.16Å; R536-H550 PolarHBondContact NH2-ND1 3.15Å; R536-H550 WeakPolarHBondContact O-CB 3.39Å; R536-H550 PolarHBondContact O-N 3.26Å; R536-E552 IonicContact CZ-OE2 3.37Å; R536-E552 IonicContact NH1-OE2 3.57Å; R536-E552 PolarHBondContact NH1-OE2 3.02Å; R536-E552 IonicContact NH2-OE2 3.6Å; R536-E552 PolarHBondContact NH2-OE2 3.08Å; R536-D553 WeakPolarHBondContact CB-OD2 3.41Å; R536-D553 IonicContact CZ-OD1 3.5Å; R536-D553 IonicContact CZ-OD2 2.75Å; R536-D553 PolarHBondContact N-OD2 3.25Å; R536-D553 IonicContact NE-OD1 3.77Å; R536-D553 IonicContact NE-OD2 2.72Å; R536-D553 PolarHBondContact NE-OD2 3.28Å; R536-D553 IonicContact NH2-OD1 3.91Å; R536-D553 PolarHBondContact NH2-OD1 3.05Å; R536-D553 VanDerWaalsContact NH2-OD1 3.15Å; R536-D553 IonicContact NH2-OD2 3.32Å
537A97.8Very high96.6Very high30 Ų3051 Ų5125%0.24825%0.254CS..EExtended strand (participates in β ladder)trans-140.2157.6-178.600000111.1I530 A535 I547 E548 L549I530-A537 HydrophobicContact CD1-CB 3.5Å; I530-A537 VanDerWaalsContact CD1-CB 3.5Å; I530-A537 HydrophobicContact CG1-CB 3.75Å; I530-A537 HydrophobicContact CG2-CB 4.48Å; A535-A537 PolarHBondContact O-N 3.36Å; A537-I547 HydrophobicContact CB-CD1 4.4Å; A537-E548 CarbonylContact C-O 3.59Å; A537-E548 WeakPolarHBondContact CA-O 3.39Å; A537-E548 WeakPolarHBondContact CB-O 3.39Å; A537-L549 HydrophobicContact CB-CD1 3.89Å
538E95.7Very high96.6Very high106 Ų10646.4 Ų46.450%0.49523%0.233SC..EExtended strand (participates in β ladder)trans-138130.4-178.6-169.3-173.4174.600110.9K540 E548E538-K540 HydrophobicContact CG-CB 4.19Å; E538-K540 PolarHBondContact O-N 3.25Å; E538-E548 HydrophobicContact CB-CB 4.39Å; E538-E548 PolarHBondContact N-O 3.19Å; E538-E548 PolarHBondContact O-N 3.4Å
539F95.6Very high96.8Very high55 Ų5544.4 Ų44.424%0.24122%0.216CC..  trans-8061.4168.2-77.1-89.5000110.9K56 F526 E527 I530 T544 I547K56-F539 WeakPolarHBondContact CD-O 3.08Å; K56-F539 PolarHBondContact NZ-O 3.03Å; F526-F539 HydrophobicContact CB-CE1 4.34Å; F526-F539 HydrophobicContact CB-CZ 3.87Å; E527-F539 HydrophobicContact CB-CE2 4.07Å; E527-F539 HydrophobicContact CB-CZ 3.82Å; E527-F539 HydrophobicContact CG-CE2 4.49Å; I530-F539 HydrophobicContact CD1-CD2 4.46Å; I530-F539 HydrophobicContact CD1-CE2 3.68Å; I530-F539 HydrophobicContact CD1-CZ 4.22Å; F539-T544 WeakPolarHBondContact CE1-O 3.48Å; F539-I547 HydrophobicContact CD1-CG2 3.51Å; F539-I547 HydrophobicContact CD2-CG2 4.33Å; F539-I547 HydrophobicContact CE1-CG2 3.45Å; F539-I547 VanDerWaalsContact CE1-CG2 3.45Å; F539-I547 HydrophobicContact CE2-CG2 4.27Å; F539-I547 HydrophobicContact CG-CG2 3.98Å; F539-I547 HydrophobicContact CZ-CG2 3.85Å
540K95Very high96.8Very high32 Ų3245.5 Ų45.514%0.13922%0.221CC..  trans-64.7-40.6-174-179.4173.3178.3170.30113.1D55 K56 S500 E538 E548D55-K540 HydrophobicContact CB-CG 3.98Å; D55-K540 WeakPolarHBondContact CB-O 3.21Å; D55-K540 WeakPolarHBondContact OD2-CE 3.37Å; D55-K540 IonicContact OD2-NZ 3.71Å; K56-K540 WeakPolarHBondContact CB-O 3.38Å; K56-K540 PolarHBondContact N-O 3.45Å; K56-K540 VanDerWaalsContact N-O 3.07Å; S500-K540 PolarHBondContact OG-NZ 3.12Å; E538-K540 HydrophobicContact CG-CB 4.19Å; E538-K540 PolarHBondContact O-N 3.25Å; K540-E548 HydrophobicContact CB-CG 4.12Å; K540-E548 HydrophobicContact CD-CG 3.79Å
541Y95.6Very high96.7Very high29 Ų2948 Ų4811%0.11423%0.229CC..SBendtrans-83.4161.8-172.9-54.1-74000112.7K56 S506 C546 E548K56-Y541 WeakPolarHBondContact CE-O 3.37Å; K56-Y541 PolarHBondContact NZ-O 3.2Å; K56-Y541 VanDerWaalsContact NZ-O 3.08Å; S506-Y541 PolarHBondContact OG-OH 2.89Å; Y541-C546 HydrophobicContact CD2-CB 3.89Å; Y541-C546 WeakPolarHBondContact CD2-SG 3.48Å; Y541-C546 HydrophobicContact CG-CB 4.36Å; Y541-E548 HydrophobicContact CE2-CG 4.06Å; Y541-E548 WeakPolarHBondContact CE2-OE1 3.28Å; Y541-E548 PolarHBondContact OH-OE1 3.43Å
542F95.9Very high96.8Very high0 Ų050.7 Ų50.70%023%0.232CC..SBendtrans-68.9-43.1170.9-62.6-64.7000110.8Y25 V53 K56 L59 C78 N81 F82 T544Y25-F542 AromaticContact CD2-CD2 3.54Å; Y25-F542 HydrophobicContact CD2-CD2 3.54Å; Y25-F542 AromaticContact CD2-CE2 3.78Å; Y25-F542 HydrophobicContact CD2-CE2 3.78Å; Y25-F542 AromaticContact CE2-CD2 3.96Å; Y25-F542 HydrophobicContact CE2-CD2 3.96Å; Y25-F542 HydrophobicContact CE2-CE2 4.45Å; Y25-F542 HydrophobicContact CG-CD2 4.01Å; Y25-F542 HydrophobicContact CG-CE2 4.37Å; V53-F542 HydrophobicContact CG2-CE2 4.47Å; K56-F542 HydrophobicContact CB-CE1 4.4Å; K56-F542 HydrophobicContact CG-CD1 3.77Å; K56-F542 HydrophobicContact CG-CE1 3.59Å; K56-F542 HydrophobicContact CG-CZ 4.34Å; L59-F542 HydrophobicContact CB-CZ 4.18Å; L59-F542 HydrophobicContact CD2-CE1 3.96Å; L59-F542 HydrophobicContact CD2-CZ 3.92Å; C78-F542 HydrophobicContact CB-CD1 3.97Å; C78-F542 HydrophobicContact CB-CD2 4.06Å; C78-F542 HydrophobicContact CB-CE1 3.55Å; C78-F542 HydrophobicContact CB-CE2 3.64Å; C78-F542 HydrophobicContact CB-CG 4.23Å; C78-F542 HydrophobicContact CB-CZ 3.38Å; N81-F542 PolarHBondContact ND2-O 3.21Å; F82-F542 HydrophobicContact CD1-CD1 4.44Å; F82-F542 HydrophobicContact CD1-CE1 4.38Å; F82-F542 HydrophobicContact CE1-CD1 4.21Å; F82-F542 AromaticContact CE1-CE1 3.77Å; F82-F542 HydrophobicContact CE1-CE1 3.77Å; F542-T544 PolarHBondContact O-N 3.29Å
543S94.2Very high96.8Very high17 Ų1743.8 Ų43.812%0.11921%0.207CC..SBendtrans-70.3115.1173.1-40.70000111H102 N545 C546H102-S543 PolarHBondContact NE2-OG 3.27Å; S543-N545 VanDerWaalsContact C-N 3.29Å; S543-N545 WeakPolarHBondContact CB-OD1 3.25Å; S543-N545 PolarHBondContact O-N 2.95Å; S543-C546 PolarHBondContact O-N 3.42Å; S543-C546 VanDerWaalsContact O-N 3.13Å
544T95Very high96.8Very high30 Ų3043.6 Ų43.618%0.18420%0.204CC..THydrogen-bonded Turntrans-72.7-20.5-17355.20000113.5S184 G523 F539 F542 C546S184-T544 VanDerWaalsContact CB-OG1 3.31Å; S184-T544 WeakPolarHBondContact CB-OG1 3.37Å; G523-T544 WeakPolarHBondContact CA-O 3.46Å; F539-T544 WeakPolarHBondContact CE1-O 3.48Å; F542-T544 PolarHBondContact O-N 3.29Å; T544-C546 PolarHBondContact O-N 3.49Å; T544-C546 VanDerWaalsContact O-N 3.13Å
545N96.7Very high96.9Very high23 Ų2340 Ų4012%0.12319%0.192CC..THydrogen-bonded Turntrans-73.49.2170.171.1-45.7000113.4L508 G509 N520 F522 F526 S543L508-N545 WeakPolarHBondContact CD1-ND2 3.24Å; G509-N545 PolarHBondContact N-O 3.39Å; G509-N545 PolarHBondContact O-ND2 3.05Å; N520-N545 WeakPolarHBondContact ND2-CB 3.38Å; N520-N545 PolarHBondContact ND2-ND2 3.35Å; F522-N545 HydrophobicContact CB-CB 4.05Å; F526-N545 WeakPolarHBondContact CE2-O 3.43Å; S543-N545 VanDerWaalsContact C-N 3.29Å; S543-N545 WeakPolarHBondContact CB-OD1 3.25Å; S543-N545 PolarHBondContact O-N 2.95Å
546C97.2Very high96.8Very high11 Ų1142.8 Ų42.87%0.07420%0.203CC..EExtended strand (participates in β ladder)trans-127.3127.7173.3-166.70000110.8L507 L508 Y541 S543 T544L507-C546 WeakPolarHBondContact O-CA 3.13Å; L508-C546 HydrophobicContact CD1-CB 4.03Å; Y541-C546 HydrophobicContact CD2-CB 3.89Å; Y541-C546 WeakPolarHBondContact CD2-SG 3.48Å; Y541-C546 HydrophobicContact CG-CB 4.36Å; S543-C546 PolarHBondContact O-N 3.42Å; S543-C546 VanDerWaalsContact O-N 3.13Å; T544-C546 PolarHBondContact O-N 3.49Å; T544-C546 VanDerWaalsContact O-N 3.13Å
547I97.4Very high96.8Very high0 Ų037.9 Ų37.90%019%0.185CC..EExtended strand (participates in β ladder)trans-134.4156.9179.862.4166.8000111.8S506 L507 F526 I530 A537 F539 L557S506-I547 CarbonylContact C-O 3.47Å; S506-I547 WeakPolarHBondContact CA-O 3.4Å; L507-I547 HydrophobicContact CB-CG1 3.94Å; L507-I547 HydrophobicContact CD2-CD1 4.38Å; L507-I547 PolarHBondContact N-O 3.2Å; L507-I547 PolarHBondContact O-N 2.92Å; F526-I547 HydrophobicContact CB-CD1 4.08Å; F526-I547 HydrophobicContact CB-CG2 4.31Å; F526-I547 HydrophobicContact CD1-CD1 4.21Å; F526-I547 HydrophobicContact CD2-CD1 4.18Å; F526-I547 HydrophobicContact CD2-CG1 4.09Å; F526-I547 HydrophobicContact CD2-CG2 3.95Å; F526-I547 HydrophobicContact CE2-CG1 4.35Å; F526-I547 HydrophobicContact CG-CD1 3.91Å; F526-I547 HydrophobicContact CG-CG1 4.33Å; F526-I547 HydrophobicContact CG-CG2 4.43Å; I530-I547 HydrophobicContact CD1-CD1 4Å; A537-I547 HydrophobicContact CB-CD1 4.4Å; F539-I547 HydrophobicContact CD1-CG2 3.51Å; F539-I547 HydrophobicContact CD2-CG2 4.33Å; F539-I547 HydrophobicContact CE1-CG2 3.45Å; F539-I547 VanDerWaalsContact CE1-CG2 3.45Å; F539-I547 HydrophobicContact CE2-CG2 4.27Å; F539-I547 HydrophobicContact CG-CG2 3.98Å; F539-I547 HydrophobicContact CZ-CG2 3.85Å; I547-L557 HydrophobicContact CD1-CD2 4.2Å
548E97.5Very high96.9Very high4 Ų436.6 Ų36.62%0.01917%0.173CC..EExtended strand (participates in β ladder)trans-91.2132.8162.5-66.6-67.2114.300109.2S498 Y504 S506 A537 E538 K540 Y541S498-E548 WeakPolarHBondContact CB-OE2 3.44Å; S498-E548 PolarHBondContact OG-OE2 3.03Å; Y504-E548 HydrophobicContact CD1-CB 4.1Å; S506-E548 VanDerWaalsContact CB-OE1 3.25Å; S506-E548 WeakPolarHBondContact CB-OE1 3.48Å; S506-E548 PolarHBondContact OG-OE1 3.42Å; A537-E548 CarbonylContact C-O 3.59Å; A537-E548 WeakPolarHBondContact CA-O 3.39Å; A537-E548 WeakPolarHBondContact CB-O 3.39Å; E538-E548 HydrophobicContact CB-CB 4.39Å; E538-E548 PolarHBondContact N-O 3.19Å; E538-E548 PolarHBondContact O-N 3.4Å; K540-E548 HydrophobicContact CB-CG 4.12Å; K540-E548 HydrophobicContact CD-CG 3.79Å; Y541-E548 HydrophobicContact CE2-CG 4.06Å; Y541-E548 WeakPolarHBondContact CE2-OE1 3.28Å; Y541-E548 PolarHBondContact OH-OE1 3.43Å
549L98.3Very high97Very high0 Ų037 Ų370%018%0.175CC..EExtended strand (participates in β ladder)trans-130.9133.7179.5177.567.5000110.4Y504 I505 L507 A535 A537 R551 D553 M554 L557Y504-L549 CarbonylContact C-O 3.5Å; Y504-L549 VanDerWaalsContact CA-O 3.31Å; Y504-L549 WeakPolarHBondContact CA-O 3.33Å; I505-L549 HydrophobicContact CD1-CD2 4.49Å; I505-L549 HydrophobicContact CG1-CB 4.25Å; I505-L549 VanDerWaalsContact CG1-O 3.31Å; I505-L549 WeakPolarHBondContact CG1-O 3.4Å; I505-L549 PolarHBondContact N-O 3.22Å; I505-L549 PolarHBondContact O-N 2.69Å; L507-L549 HydrophobicContact CD1-CB 3.86Å; L507-L549 HydrophobicContact CD1-CD2 4.01Å; L507-L549 HydrophobicContact CD2-CB 4.49Å; L507-L549 HydrophobicContact CD2-CD2 3.73Å; A535-L549 HydrophobicContact CB-CD1 3.98Å; A537-L549 HydrophobicContact CB-CD1 3.89Å; L549-R551 PolarHBondContact O-N 2.85Å; L549-D553 HydrophobicContact CD1-CB 3.97Å; L549-M554 HydrophobicContact CD2-CB 4.28Å; L549-L557 HydrophobicContact CD1-CD2 4.1Å; L549-L557 HydrophobicContact CD2-CB 4.25Å; L549-L557 HydrophobicContact CD2-CD2 3.53Å; L549-L557 HydrophobicContact CG-CD2 4.39Å
550H98.3Very high97.1Very high22 Ų2234.6 Ų34.610%0.10217%0.166CC..EExtended strand (participates in β ladder)trans-63.9128.8171.9-168.3-77.6000110.1Y504 R536 E552 D553Y504-H550 HydrophobicContact CD1-CB 4.38Å; Y504-H550 HydrophobicContact CE1-CB 4.02Å; Y504-H550 HydrophobicContact CE2-CB 4.49Å; Y504-H550 AromaticContact CE2-CD2 3.77Å; R536-H550 HydrophobicContact CB-CB 3.68Å; R536-H550 VanDerWaalsContact CZ-ND1 3.3Å; R536-H550 PolarHBondContact NH1-CE1 2.99Å; R536-H550 PolarHBondContact NH1-NE2 3.16Å; R536-H550 PolarHBondContact NH2-ND1 3.15Å; R536-H550 WeakPolarHBondContact O-CB 3.39Å; R536-H550 PolarHBondContact O-N 3.26Å; H550-E552 VanDerWaalsContact C-N 3.28Å; H550-E552 IonicContact CE1-OE2 2.69Å; H550-E552 PolarHBondContact CE1-OE2 3.03Å; H550-E552 VanDerWaalsContact CE1-OE2 3.32Å; H550-E552 PolarHBondContact ND1-N 3.47Å; H550-E552 IonicContact ND1-OE2 3.44Å; H550-E552 PolarHBondContact O-N 3.42Å; H550-E552 VanDerWaalsContact O-N 3.12Å; H550-D553 WeakPolarHBondContact O-CB 3.5Å; H550-D553 PolarHBondContact O-N 2.84Å
551R96.5Very high97.2Very high80 Ų8033 Ų3330%0.30216%0.159SC..G310 helixtrans-52.4-42.2-170.5-74.1177.2-159.7-130.79.1114.2Y446 D497 D502 N503 I505 L549 D553 M554Y446-R551 PolarHBondContact OH-NH1 3.22Å; D497-R551 IonicContact OD1-CZ 3.15Å; D497-R551 IonicContact OD1-NH1 3.77Å; D497-R551 PolarHBondContact OD1-NH1 3.42Å; D497-R551 IonicContact OD1-NH2 2.97Å; D497-R551 PolarHBondContact OD1-NH2 3.43Å; D497-R551 VanDerWaalsContact OD1-NH2 3.16Å; D497-R551 IonicContact OD2-NH1 3.1Å; D497-R551 IonicContact OD2-NH2 3.73Å; D502-R551 PolarHBondContact O-NE 3.32Å; D502-R551 PolarHBondContact O-NH2 2.95Å; N503-R551 WeakPolarHBondContact O-CG 3.43Å; N503-R551 PolarHBondContact O-N 3.26Å; I505-R551 HydrophobicContact CG1-CG 4.35Å; I505-R551 HydrophobicContact CG2-CG 3.67Å; L549-R551 PolarHBondContact O-N 2.85Å; R551-D553 PolarHBondContact O-N 3.29Å; R551-M554 VanDerWaalsContact O-CB 3.31Å; R551-M554 WeakPolarHBondContact O-CB 3.48Å; R551-M554 PolarHBondContact O-N 3.16Å
552E97.4Very high97.3Very high144 Ų14432.9 Ų32.967%0.67316%0.162SC*.G310 helixtrans-63.2-21179.5-62.8176.915800113.7R536 H550R536-E552 IonicContact CZ-OE2 3.37Å; R536-E552 IonicContact NH1-OE2 3.57Å; R536-E552 PolarHBondContact NH1-OE2 3.02Å; R536-E552 IonicContact NH2-OE2 3.6Å; R536-E552 PolarHBondContact NH2-OE2 3.08Å; H550-E552 VanDerWaalsContact C-N 3.28Å; H550-E552 IonicContact CE1-OE2 2.69Å; H550-E552 PolarHBondContact CE1-OE2 3.03Å; H550-E552 VanDerWaalsContact CE1-OE2 3.32Å; H550-E552 PolarHBondContact ND1-N 3.47Å; H550-E552 IonicContact ND1-OE2 3.44Å; H550-E552 PolarHBondContact O-N 3.42Å; H550-E552 VanDerWaalsContact O-N 3.12Å
553D98.3Very high97.3Very high10 Ų1035.8 Ų35.85%0.05318%0.182CC..G310 helixtrans-93.20.7-177.9-70.2-13.7000112.7A535 R536 L549 H550 R551 L555 K556 L557A535-D553 HydrophobicContact CB-CB 4.07Å; R536-D553 WeakPolarHBondContact CB-OD2 3.41Å; R536-D553 IonicContact CZ-OD1 3.5Å; R536-D553 IonicContact CZ-OD2 2.75Å; R536-D553 PolarHBondContact N-OD2 3.25Å; R536-D553 IonicContact NE-OD1 3.77Å; R536-D553 IonicContact NE-OD2 2.72Å; R536-D553 PolarHBondContact NE-OD2 3.28Å; R536-D553 IonicContact NH2-OD1 3.91Å; R536-D553 PolarHBondContact NH2-OD1 3.05Å; R536-D553 VanDerWaalsContact NH2-OD1 3.15Å; R536-D553 IonicContact NH2-OD2 3.32Å; L549-D553 HydrophobicContact CD1-CB 3.97Å; H550-D553 WeakPolarHBondContact O-CB 3.5Å; H550-D553 PolarHBondContact O-N 2.84Å; R551-D553 PolarHBondContact O-N 3.29Å; D553-L555 PolarHBondContact O-N 2.92Å; D553-K556 HydrophobicContact CB-CD 4.35Å; D553-K556 HydrophobicContact CB-CG 4.41Å; D553-K556 VanDerWaalsContact O-CG 3.31Å; D553-K556 WeakPolarHBondContact O-CG 3.46Å; D553-K556 WeakPolarHBondContact OD1-CE 3.19Å; D553-K556 IonicContact OD1-NZ 2.88Å; D553-K556 PolarHBondContact OD1-NZ 3.05Å; D553-K556 IonicContact OD2-NZ 3.46Å; D553-K556 PolarHBondContact OD2-NZ 2.84Å; D553-K556 VanDerWaalsContact OD2-NZ 3.1Å; D553-L557 WeakPolarHBondContact O-CB 3.45Å; D553-L557 PolarHBondContact O-N 2.86Å; D553-L557 VanDerWaalsContact O-N 3.12Å
554M97.7Very high97.3Very high29 Ų2938.4 Ų38.414%0.14320%0.195CC..Hα-helixtrans-57.6-49.4-179.3-175-176.7176.200112.8Y444 I505 L549 R551 L557 F558Y444-M554 HydrophobicContact CD2-CE 3.95Å; Y444-M554 HydrophobicContact CE2-CE 3.87Å; I505-M554 HydrophobicContact CD1-CB 4.32Å; I505-M554 HydrophobicContact CD1-CG 4.19Å; I505-M554 HydrophobicContact CD1-SD 3.96Å; L549-M554 HydrophobicContact CD2-CB 4.28Å; R551-M554 VanDerWaalsContact O-CB 3.31Å; R551-M554 WeakPolarHBondContact O-CB 3.48Å; R551-M554 PolarHBondContact O-N 3.16Å; M554-L557 PolarHBondContact O-N 2.79Å; M554-F558 HydrophobicContact CE-CD1 4.32Å; M554-F558 HydrophobicContact CE-CE1 3.54Å; M554-F558 HydrophobicContact CE-CE2 4.16Å; M554-F558 HydrophobicContact CE-CZ 3.46Å; M554-F558 VanDerWaalsContact CE-CZ 3.46Å; M554-F558 HydrophobicContact CG-CD2 4.15Å; M554-F558 HydrophobicContact CG-CE2 3.97Å; M554-F558 HydrophobicContact CG-CZ 4.22Å; M554-F558 WeakPolarHBondContact O-CB 3.1Å; M554-F558 VanDerWaalsContact O-CD2 3.23Å; M554-F558 WeakPolarHBondContact O-CD2 3.36Å; M554-F558 WeakPolarHBondContact O-CG 3.46Å; M554-F558 PolarHBondContact O-N 3.38Å
555L97.8Very high97.1Very high105 Ų10539.1 Ų39.155%0.5520%0.197SC..Hα-helixtrans-63.4-48.9-175.5-179.462.3000111.8F439 D553 L557 F558 E559F439-L555 HydrophobicContact CE2-CD1 4.16Å; F439-L555 HydrophobicContact CZ-CD1 4.24Å; D553-L555 PolarHBondContact O-N 2.92Å; L555-L557 VanDerWaalsContact C-N 3.31Å; L555-L557 PolarHBondContact O-N 3.09Å; L555-F558 PolarHBondContact O-N 2.96Å; L555-F558 VanDerWaalsContact O-N 3.17Å; L555-E559 HydrophobicContact CD1-CG 4.46Å; L555-E559 WeakPolarHBondContact O-CG 3.32Å; L555-E559 PolarHBondContact O-N 3.32Å
556K97.8Very high96.5Very high68 Ų6845.2 Ų45.230%0.29624%0.235SC..Hα-helixtrans-63.7-37.5-179.572.1-175.6-164.1-160.90111.8T533 A535 D553 A560T533-K556 WeakPolarHBondContact CG2-O 3.45Å; A535-K556 VanDerWaalsContact CA-CE 3.47Å; D553-K556 HydrophobicContact CB-CD 4.35Å; D553-K556 HydrophobicContact CB-CG 4.41Å; D553-K556 VanDerWaalsContact O-CG 3.31Å; D553-K556 WeakPolarHBondContact O-CG 3.46Å; D553-K556 WeakPolarHBondContact OD1-CE 3.19Å; D553-K556 IonicContact OD1-NZ 2.88Å; D553-K556 PolarHBondContact OD1-NZ 3.05Å; D553-K556 IonicContact OD2-NZ 3.46Å; D553-K556 PolarHBondContact OD2-NZ 2.84Å; D553-K556 VanDerWaalsContact OD2-NZ 3.1Å; K556-A560 PolarHBondContact O-N 3.13Å; K556-A560 VanDerWaalsContact O-N 3.17Å
557L98.3Very high96.5Very high0 Ų046.9 Ų46.90%024%0.243CC..Hα-helixtrans-64.6-43.8175-17080.2000110.9L507 A529 I530 A535 I547 L549 D553 M554 L555 A560 L561L507-L557 HydrophobicContact CD2-CD2 3.8Å; A529-L557 HydrophobicContact CB-CD1 3.59Å; A529-L557 HydrophobicContact CB-CG 4.23Å; I530-L557 HydrophobicContact CG1-CD1 3.75Å; A535-L557 HydrophobicContact CB-CD1 4.13Å; I547-L557 HydrophobicContact CD1-CD2 4.2Å; L549-L557 HydrophobicContact CD1-CD2 4.1Å; L549-L557 HydrophobicContact CD2-CB 4.25Å; L549-L557 HydrophobicContact CD2-CD2 3.53Å; L549-L557 HydrophobicContact CG-CD2 4.39Å; D553-L557 WeakPolarHBondContact O-CB 3.45Å; D553-L557 PolarHBondContact O-N 2.86Å; D553-L557 VanDerWaalsContact O-N 3.12Å; M554-L557 PolarHBondContact O-N 2.79Å; L555-L557 VanDerWaalsContact C-N 3.31Å; L555-L557 PolarHBondContact O-N 3.09Å; L557-A560 PolarHBondContact O-N 3.49Å; L557-L561 HydrophobicContact CD2-CD1 4.23Å; L557-L561 HydrophobicContact CG-CD1 4.12Å; L557-L561 WeakPolarHBondContact O-CG 3.37Å; L557-L561 PolarHBondContact O-N 3.5Å
558F98.3Very high96.4Very high3 Ų349.4 Ų49.41%0.01326%0.256CS..Hα-helixtrans-66.2-38.7-179.1-84.8-143.6000112.5F439 F442 Y444 I493 L507 M554 L555 A560 L561 S562F439-F558 HydrophobicContact CD1-CB 4.12Å; F439-F558 HydrophobicContact CD2-CD1 4.18Å; F439-F558 VanDerWaalsContact CE1-C 3.49Å; F439-F558 HydrophobicContact CE1-CB 3.79Å; F439-F558 WeakPolarHBondContact CE1-O 3.45Å; F439-F558 HydrophobicContact CE2-CB 4.23Å; F439-F558 HydrophobicContact CG-CB 4.5Å; F439-F558 HydrophobicContact CG-CD1 4.17Å; F439-F558 HydrophobicContact CZ-CB 3.84Å; F442-F558 AromaticContact CE2-CD1 3.84Å; F442-F558 HydrophobicContact CE2-CD1 3.84Å; F442-F558 AromaticContact CE2-CE1 3.95Å; F442-F558 HydrophobicContact CE2-CE1 3.95Å; F442-F558 HydrophobicContact CE2-CG 4.34Å; F442-F558 HydrophobicContact CZ-CB 4.18Å; F442-F558 AromaticContact CZ-CD1 3.9Å; F442-F558 HydrophobicContact CZ-CD1 3.9Å; F442-F558 HydrophobicContact CZ-CE1 4.44Å; F442-F558 HydrophobicContact CZ-CG 4.02Å; Y444-F558 HydrophobicContact CD1-CD1 4.38Å; Y444-F558 AromaticContact CD1-CE1 3.91Å; Y444-F558 HydrophobicContact CD1-CE1 3.91Å; Y444-F558 AromaticContact CD2-CE1 3.76Å; Y444-F558 HydrophobicContact CD2-CE1 3.76Å; Y444-F558 HydrophobicContact CD2-CZ 4.41Å; Y444-F558 HydrophobicContact CE1-CE1 4.43Å; Y444-F558 HydrophobicContact CE2-CE1 4.33Å; Y444-F558 HydrophobicContact CG-CD1 4.43Å; Y444-F558 AromaticContact CG-CE1 3.53Å; Y444-F558 HydrophobicContact CG-CE1 3.53Å; Y444-F558 HydrophobicContact CG-CZ 4.36Å; I493-F558 HydrophobicContact CG2-CE2 4.43Å; I493-F558 HydrophobicContact CG2-CZ 4.12Å; L507-F558 HydrophobicContact CD2-CE2 3.92Å; M554-F558 HydrophobicContact CE-CD1 4.32Å; M554-F558 HydrophobicContact CE-CE1 3.54Å; M554-F558 HydrophobicContact CE-CE2 4.16Å; M554-F558 HydrophobicContact CE-CZ 3.46Å; M554-F558 VanDerWaalsContact CE-CZ 3.46Å; M554-F558 HydrophobicContact CG-CD2 4.15Å; M554-F558 HydrophobicContact CG-CE2 3.97Å; M554-F558 HydrophobicContact CG-CZ 4.22Å; M554-F558 WeakPolarHBondContact O-CB 3.1Å; M554-F558 VanDerWaalsContact O-CD2 3.23Å; M554-F558 WeakPolarHBondContact O-CD2 3.36Å; M554-F558 WeakPolarHBondContact O-CG 3.46Å; M554-F558 PolarHBondContact O-N 3.38Å; L555-F558 PolarHBondContact O-N 2.96Å; L555-F558 VanDerWaalsContact O-N 3.17Å; F558-A560 VanDerWaalsContact C-N 3.34Å; F558-L561 HydrophobicContact CD2-CD1 4.42Å; F558-L561 PolarHBondContact O-N 3.42Å; F558-S562 WeakPolarHBondContact O-CB 3.45Å; F558-S562 PolarHBondContact O-N 3.07Å
559E98.1Very high96.4Very high114 Ų11451.9 Ų51.953%0.53327%0.269SS..Hα-helixtrans-61.3-42.6172.3-71.7177.3169.800111.6F439 L555 S562 S563F439-E559 HydrophobicContact CE1-CG 4.46Å; F439-E559 HydrophobicContact CZ-CG 4.04Å; L555-E559 HydrophobicContact CD1-CG 4.46Å; L555-E559 WeakPolarHBondContact O-CG 3.32Å; L555-E559 PolarHBondContact O-N 3.32Å; E559-S562 PolarHBondContact O-N 3.04Å; E559-S563 PolarHBondContact O-N 3.39Å; E559-S563 VanDerWaalsContact O-N 3.11Å
560A98.1Very high96.3Very high5 Ų554.9 Ų54.94%0.04129%0.285CS..Hα-helixtrans-65.3-45.6175.400000112.2A529 T533 K556 L557 F558 S562 S563 L564A529-A560 HydrophobicContact CB-CB 3.98Å; T533-A560 HydrophobicContact CG2-CB 3.49Å; T533-A560 VanDerWaalsContact CG2-CB 3.49Å; K556-A560 PolarHBondContact O-N 3.13Å; K556-A560 VanDerWaalsContact O-N 3.17Å; L557-A560 PolarHBondContact O-N 3.49Å; F558-A560 VanDerWaalsContact C-N 3.34Å; A560-S562 VanDerWaalsContact C-N 3.32Å; A560-S562 PolarHBondContact O-N 3.28Å; A560-S563 WeakPolarHBondContact O-CB 3.43Å; A560-S563 PolarHBondContact O-N 2.82Å; A560-S563 VanDerWaalsContact O-N 3.13Å; A560-L564 VanDerWaalsContact O-CG 3.31Å; A560-L564 WeakPolarHBondContact O-CG 3.32Å; A560-L564 PolarHBondContact O-N 3.23Å
561L97.9Very high96.2Very high0 Ų057 Ų570%030%0.297CS..Hα-helixtrans-60-41.8174.9-73.5168.5000111.7F442 I493 A525 F526 A529 L557 F558 S563 L564 L565F442-L561 HydrophobicContact CE1-CB 3.91Å; F442-L561 HydrophobicContact CZ-CB 4.31Å; I493-L561 HydrophobicContact CD1-CD1 3.79Å; A525-L561 HydrophobicContact CB-CD2 3.9Å; A525-L561 WeakPolarHBondContact O-CD2 3.09Å; F526-L561 HydrophobicContact CD1-CD1 3.95Å; F526-L561 HydrophobicContact CD1-CD2 3.98Å; F526-L561 HydrophobicContact CE1-CD1 3.84Å; F526-L561 HydrophobicContact CE1-CD2 4.39Å; A529-L561 HydrophobicContact CB-CD2 3.77Å; A529-L561 HydrophobicContact CB-CG 3.78Å; L557-L561 HydrophobicContact CD2-CD1 4.23Å; L557-L561 HydrophobicContact CG-CD1 4.12Å; L557-L561 WeakPolarHBondContact O-CG 3.37Å; L557-L561 PolarHBondContact O-N 3.5Å; F558-L561 HydrophobicContact CD2-CD1 4.42Å; F558-L561 PolarHBondContact O-N 3.42Å; L561-S563 PolarHBondContact O-N 3.44Å; L561-L564 PolarHBondContact O-N 3.01Å; L561-L564 VanDerWaalsContact O-N 3.08Å; L561-L565 WeakPolarHBondContact O-CB 3.49Å; L561-L565 VanDerWaalsContact O-CG 3.31Å; L561-L565 WeakPolarHBondContact O-CG 3.45Å; L561-L565 PolarHBondContact O-N 2.94Å
562S96.5Very high96.1Very high26 Ų2655.5 Ų55.518%0.18230%0.296CS..Hα-helixtrans-60.7-37.3176.5-176.50000111.5P441 F558 E559 A560 T566P441-S562 WeakPolarHBondContact CD-OG 3.34Å; F558-S562 WeakPolarHBondContact O-CB 3.45Å; F558-S562 PolarHBondContact O-N 3.07Å; E559-S562 PolarHBondContact O-N 3.04Å; A560-S562 VanDerWaalsContact C-N 3.32Å; A560-S562 PolarHBondContact O-N 3.28Å; S562-T566 PolarHBondContact O-N 2.92Å; S562-T566 PolarHBondContact O-OG1 3.08Å
563S96Very high96Very high60 Ų6049.1 Ų49.142%0.4227%0.269SS..Hα-helixtrans-72.9-26.9175.6175.20000113.4R532 E559 A560 L561R532-S563 PolarHBondContact NH1-OG 3.41Å; E559-S563 PolarHBondContact O-N 3.39Å; E559-S563 VanDerWaalsContact O-N 3.11Å; A560-S563 WeakPolarHBondContact O-CB 3.43Å; A560-S563 PolarHBondContact O-N 2.82Å; A560-S563 VanDerWaalsContact O-N 3.13Å; L561-S563 PolarHBondContact O-N 3.44Å
564L94.2Very high95.9Very high73 Ų7352.2 Ų52.238%0.38229%0.286SS..Hα-helixtrans-86.6-30.3-178.2-71.1166.8000112.7A528 A529 A560 L561A528-L564 HydrophobicContact CB-CD1 3.82Å; A528-L564 HydrophobicContact CB-CD2 4.48Å; A529-L564 HydrophobicContact CB-CD1 3.98Å; A560-L564 VanDerWaalsContact O-CG 3.31Å; A560-L564 WeakPolarHBondContact O-CG 3.32Å; A560-L564 PolarHBondContact O-N 3.23Å; L561-L564 PolarHBondContact O-N 3.01Å; L561-L564 VanDerWaalsContact O-N 3.08Å
565L91.7Very high95.7Very high44 Ų4454.1 Ų54.123%0.2330%0.298CS..  trans-97-1.4-176.4-62.3177.5000113.9P441 F442 L521 F522 A525 L561P441-L565 HydrophobicContact CB-CB 4.32Å; P441-L565 HydrophobicContact CG-CB 3.66Å; F442-L565 HydrophobicContact CD1-CD1 3.9Å; L521-L565 HydrophobicContact CD1-CD2 3.41Å; L521-L565 VanDerWaalsContact CD1-CD2 3.41Å; F522-L565 HydrophobicContact CE1-CD1 4.04Å; F522-L565 HydrophobicContact CZ-CD1 4.35Å; A525-L565 HydrophobicContact CB-CD2 4.26Å; L561-L565 WeakPolarHBondContact O-CB 3.49Å; L561-L565 VanDerWaalsContact O-CG 3.31Å; L561-L565 WeakPolarHBondContact O-CG 3.45Å; L561-L565 PolarHBondContact O-N 2.94Å
566T83.9Confident95.5Very high151 Ų15149.5 Ų49.593%0.92628%0.275SS*.  trans-88.60170.6-57.20000108.7S562S562-T566 PolarHBondContact O-N 2.92Å; S562-T566 PolarHBondContact O-OG1 3.08Å

Retrieved 566 of 566 residues in 265.4 ms (Link to these results)

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