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Valine--tRNA ligase

Catalyzes the attachment of valine to tRNA(Val). As ValRS can inadvertently accommodate and process structurally similar amino acids such as threonine, to avoid such errors, it has a 'posttransfer' editing activity that hydrolyzes mischarged Thr-tRNA(Val) in a tRNA-dependent manner.

AlphaFold DB (Q2FXR8), UniProt , Accession Q99TJ8, Species STAAN (Staphylococcus aureus (strain N315)), Gene valS, Length 876 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
1M56Low88.3Confident158 Ų15892.1 Ų92.178%0.77843%0.433SS*.  0125.70-155.2-174.6-143.100108.4M3 E587 K690M1-M3 PolarHBondContact O-N 3.2Å; M1-E587 PolarHBondContact N-OE1 3.3Å; M1-K690 PolarHBondContact SD-NZ 3.08Å
2E70.1Confident89Confident188 Ų18885.6 Ų85.688%0.87940%0.404SS*.  trans-77.9105.8-168.3-157.6177.5-170.200112.1
3M86.8Confident89.6Confident15 Ų1580.3 Ų80.37%0.07438%0.379CS..  trans-73.8126.5173.4-71178.173.900110.8M1 W575 A578 R579 L582 I691M1-M3 PolarHBondContact O-N 3.2Å; M3-W575 HydrophobicContact CB-CZ2 3.89Å; M3-W575 HydrophobicContact CE-CD2 3.33Å; M3-W575 HydrophobicContact CE-CE3 3.51Å; M3-W575 HydrophobicContact CE-CG 3.94Å; M3-W575 HydrophobicContact CE-CH2 3.75Å; M3-W575 HydrophobicContact CE-CZ2 3.57Å; M3-W575 HydrophobicContact CE-CZ3 3.72Å; M3-W575 HydrophobicContact CG-CH2 4.28Å; M3-W575 HydrophobicContact CG-CZ2 3.96Å; M3-A578 HydrophobicContact CE-CB 4.29Å; M3-R579 HydrophobicContact CB-CB 4.34Å; M3-R579 HydrophobicContact CB-CG 4.07Å; M3-R579 HydrophobicContact CE-CB 4.32Å; M3-R579 WeakPolarHBondContact O-CD 3.37Å; M3-R579 PolarHBondContact O-NE 3.3Å; M3-R579 HydrophobicContact SD-CB 4.3Å; M3-L582 HydrophobicContact SD-CD1 3.4Å; M3-L582 WeakPolarHBondContact SD-CD1 3.39Å; M3-I691 HydrophobicContact CE-CG1 4.02Å
4K91.1Very high90.1Very high104 Ų10479.9 Ų79.945%0.45240%0.396SS..  trans-63.4153.9176.8-69.1-178.6178.5176.60111.7K6 E11 W575K4-K6 PolarHBondContact O-N 3.5Å; K4-E11 WeakPolarHBondContact CE-OE2 3.5Å; K4-E11 IonicContact NZ-OE1 2.94Å; K4-E11 PolarHBondContact NZ-OE1 3.09Å; K4-E11 IonicContact NZ-OE2 3.95Å; K4-E11 PolarHBondContact NZ-OE2 3.48Å; K4-W575 PolarHBondContact O-NE1 3.46Å
5P92.1Very high90.5Very high95 Ų9577.5 Ų77.562%0.61740%0.4SS*.SBendtrans-64.2-21.9178-23.834.5000115.3N576P5-N576 PolarHBondContact O-OD1 2.89Å; P5-N576 VanDerWaalsContact O-OD1 3.12Å
6K94.9Very high90.9Very high135 Ų13574.1 Ų74.159%0.58738%0.38SS*.SBendtrans-122.7135.8177.2-169.4-177.3-178.3-1730108.5K4 W568K4-K6 PolarHBondContact O-N 3.5Å; K6-W568 HydrophobicContact CD-CH2 4.4Å; K6-W568 HydrophobicContact CG-CH2 4.25Å; K6-W568 HydrophobicContact CG-CZ2 4.44Å
7Y96.4Very high91.3Very high3 Ų370.3 Ų70.31%0.01236%0.36CS..  trans-66.4130.9171.5171.8-116.5000110.3P9 V12 W568 I571 N572 W575 V687Y7-P9 HydrophobicContact CE1-CB 3.94Å; Y7-P9 HydrophobicContact CE1-CG 4.29Å; Y7-V12 HydrophobicContact CD2-CG2 4.11Å; Y7-V12 HydrophobicContact CE2-CB 3.98Å; Y7-V12 HydrophobicContact CE2-CG1 4.18Å; Y7-V12 HydrophobicContact CE2-CG2 3.81Å; Y7-W568 AromaticContact CD1-NE1 3.75Å; Y7-I571 HydrophobicContact CD1-CB 4.41Å; Y7-I571 HydrophobicContact CD1-CG2 3.63Å; Y7-I571 HydrophobicContact CD2-CG2 4.48Å; Y7-I571 HydrophobicContact CE1-CB 4.26Å; Y7-I571 HydrophobicContact CE1-CG2 3.37Å; Y7-I571 HydrophobicContact CE2-CG2 4.26Å; Y7-I571 HydrophobicContact CG-CG2 4.19Å; Y7-N572 PolarHBondContact N-OD1 3.15Å; Y7-W575 HydrophobicContact CD2-CD2 4.01Å; Y7-W575 AromaticContact CD2-CE3 3.68Å; Y7-W575 HydrophobicContact CD2-CE3 3.68Å; Y7-W575 HydrophobicContact CD2-CG 4.48Å; Y7-W575 HydrophobicContact CD2-CZ3 4.11Å; Y7-W575 HydrophobicContact CE2-CE3 4.38Å; Y7-V687 HydrophobicContact CD2-CG2 4.09Å; Y7-V687 HydrophobicContact CE2-CB 4.05Å; Y7-V687 HydrophobicContact CE2-CG2 3.66Å
8D96.6Very high91.6Very high40 Ų4072.7 Ų72.721%0.21437%0.37CS..  trans-121.9108.2169-169.3-25.1000108.4R10 E11 V12D8-R10 PolarHBondContact O-N 2.77Å; D8-R10 WeakPolarHBondContact OD1-CB 3.23Å; D8-R10 IonicContact OD1-CZ 2.68Å; D8-R10 PolarHBondContact OD1-N 2.89Å; D8-R10 IonicContact OD1-NE 2.73Å; D8-R10 PolarHBondContact OD1-NE 3.42Å; D8-R10 IonicContact OD1-NH2 3.7Å; D8-R10 IonicContact OD2-CZ 2.97Å; D8-R10 IonicContact OD2-NE 3.96Å; D8-R10 IonicContact OD2-NH2 3.9Å; D8-R10 PolarHBondContact OD2-NH2 3.3Å; D8-E11 HydrophobicContact CB-CG 4.36Å; D8-E11 PolarHBondContact O-N 3.39Å; D8-V12 PolarHBondContact O-N 3.18Å
9P97Very high91.9Very high6 Ų672.9 Ų72.94%0.03937%0.369CS..Hα-helixtrans-59.4-34.3-177.821.9-31.5000111.9Y7 E11 V12 E13 G539Y7-P9 HydrophobicContact CE1-CB 3.94Å; Y7-P9 HydrophobicContact CE1-CG 4.29Å; P9-E11 VanDerWaalsContact C-N 3.27Å; P9-E11 PolarHBondContact O-N 2.76Å; P9-V12 PolarHBondContact O-N 3.34Å; P9-V12 VanDerWaalsContact O-N 3.13Å; P9-E13 VanDerWaalsContact O-CB 3.26Å; P9-E13 WeakPolarHBondContact O-CB 3.29Å; P9-E13 WeakPolarHBondContact O-CG 3.42Å; P9-E13 PolarHBondContact O-N 2.79Å; P9-G539 VanDerWaalsContact CB-CA 3.49Å
10R95.5Very high92.2Very high159 Ų15969.3 Ų69.360%0.635%0.35SS*.Hα-helixtrans-64.2-33.4-176.5-61.2167.6-63.6-174.62.9112.4D8 A14D8-R10 PolarHBondContact O-N 2.77Å; D8-R10 WeakPolarHBondContact OD1-CB 3.23Å; D8-R10 IonicContact OD1-CZ 2.68Å; D8-R10 PolarHBondContact OD1-N 2.89Å; D8-R10 IonicContact OD1-NE 2.73Å; D8-R10 PolarHBondContact OD1-NE 3.42Å; D8-R10 IonicContact OD1-NH2 3.7Å; D8-R10 IonicContact OD2-CZ 2.97Å; D8-R10 IonicContact OD2-NE 3.96Å; D8-R10 IonicContact OD2-NH2 3.9Å; D8-R10 PolarHBondContact OD2-NH2 3.3Å; R10-A14 VanDerWaalsContact O-CB 3.22Å; R10-A14 WeakPolarHBondContact O-CB 3.24Å
11E94.9Very high92.4Very high110 Ų11068.4 Ų68.451%0.51435%0.349SS..Hα-helixtrans-80.3-32.7176.7-66.1-172.9168.700112.4K4 D8 P9K4-E11 WeakPolarHBondContact CE-OE2 3.5Å; K4-E11 IonicContact NZ-OE1 2.94Å; K4-E11 PolarHBondContact NZ-OE1 3.09Å; K4-E11 IonicContact NZ-OE2 3.95Å; K4-E11 PolarHBondContact NZ-OE2 3.48Å; D8-E11 HydrophobicContact CB-CG 4.36Å; D8-E11 PolarHBondContact O-N 3.39Å; P9-E11 VanDerWaalsContact C-N 3.27Å; P9-E11 PolarHBondContact O-N 2.76Å
12V96.5Very high94.3Very high14 Ų1469.4 Ų69.49%0.08535%0.349CS..Hα-helixtrans-79.7-36.8-176.6173.40000111.9Y7 D8 P9 W575 K690Y7-V12 HydrophobicContact CD2-CG2 4.11Å; Y7-V12 HydrophobicContact CE2-CB 3.98Å; Y7-V12 HydrophobicContact CE2-CG1 4.18Å; Y7-V12 HydrophobicContact CE2-CG2 3.81Å; D8-V12 PolarHBondContact O-N 3.18Å; P9-V12 PolarHBondContact O-N 3.34Å; P9-V12 VanDerWaalsContact O-N 3.13Å; V12-W575 HydrophobicContact CG2-CH2 3.89Å; V12-W575 HydrophobicContact CG2-CZ3 3.85Å; V12-K690 HydrophobicContact CG1-CB 3.77Å; V12-K690 HydrophobicContact CG1-CG 4.14Å; V12-K690 HydrophobicContact CG2-CG 4.45Å
13E97.5Very high95.6Very high17 Ų1764 Ų648%0.07933%0.326CS..Hα-helixtrans-83.2-26.6-177.3-63.7176-176.600112.6P9 G15 R16 G539 A540 F686P9-E13 VanDerWaalsContact O-CB 3.26Å; P9-E13 WeakPolarHBondContact O-CB 3.29Å; P9-E13 WeakPolarHBondContact O-CG 3.42Å; P9-E13 PolarHBondContact O-N 2.79Å; E13-G15 PolarHBondContact O-N 2.94Å; E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 2.8Å; E13-G539 WeakPolarHBondContact OE1-CA 3.23Å; E13-A540 PolarHBondContact OE1-N 3.21Å; E13-A540 PolarHBondContact OE2-N 3.34Å; E13-F686 HydrophobicContact CB-CD1 4.01Å; E13-F686 HydrophobicContact CB-CE1 4.33Å; E13-F686 HydrophobicContact CB-CG 4.24Å; E13-F686 HydrophobicContact CG-CB 3.69Å; E13-F686 HydrophobicContact CG-CD1 3.94Å; E13-F686 HydrophobicContact CG-CD2 4.01Å; E13-F686 HydrophobicContact CG-CG 3.64Å
14A95.5Very high96Very high74 Ų7464.4 Ų64.461%0.61233%0.334SS*.THydrogen-bonded Turntrans-57.6122.5-173.300000113.3R10 R16R10-A14 VanDerWaalsContact O-CB 3.22Å; R10-A14 WeakPolarHBondContact O-CB 3.24Å; A14-R16 PolarHBondContact O-N 3.34Å
15G96Very high96.2Very high44 Ų4460.5 Ų60.545%0.45432%0.316SS..THydrogen-bonded Turntrans74.3-517600000114.8E13 E18 E19E13-G15 PolarHBondContact O-N 2.94Å; G15-E18 WeakPolarHBondContact CA-OE2 3.39Å; G15-E19 PolarHBondContact O-N 2.93Å
16R97Very high96.4Very high24 Ų2456.1 Ų56.19%0.09129%0.288CS..Hα-helixtrans-71.2-42.2-172.2-179.160.771.817224.7112.1E13 A14 E18 E19 W20 F686 Q693E13-R16 WeakPolarHBondContact O-CB 3.44Å; E13-R16 PolarHBondContact O-N 2.8Å; A14-R16 PolarHBondContact O-N 3.34Å; R16-E18 VanDerWaalsContact C-N 3.34Å; R16-E19 IonicContact CZ-OE2 2.62Å; R16-E19 IonicContact NE-OE2 3.75Å; R16-E19 IonicContact NH1-OE1 2.66Å; R16-E19 IonicContact NH1-OE2 2.77Å; R16-E19 PolarHBondContact NH1-OE2 3.34Å; R16-E19 WeakPolarHBondContact O-CB 3.33Å; R16-E19 PolarHBondContact O-N 3.27Å; R16-W20 HydrophobicContact CG-CD2 4.04Å; R16-W20 HydrophobicContact CG-CE3 4.32Å; R16-W20 HydrophobicContact CG-CH2 3.65Å; R16-W20 HydrophobicContact CG-CZ2 3.33Å; R16-W20 HydrophobicContact CG-CZ3 4.14Å; R16-W20 PolarHBondContact O-N 3.04Å; R16-W20 VanDerWaalsContact O-N 3.09Å; R16-F686 HydrophobicContact CB-CD1 3.98Å; R16-F686 HydrophobicContact CB-CE1 4.22Å; R16-F686 HydrophobicContact CG-CD1 4Å; R16-F686 HydrophobicContact CG-CE1 4.44Å; R16-Q693 VanDerWaalsContact NH1-OE1 3.09Å
17Y97.5Very high96.5Very high9 Ų954.8 Ų54.84%0.03528%0.282CS..Hα-helixtrans-64.3-43.8-179.3-175.6-104.4000111.6E19 W20 V21 F26 A131 L135 Y139Y17-E19 VanDerWaalsContact C-N 3.27Å; Y17-E19 PolarHBondContact O-N 3.11Å; Y17-W20 AromaticContact CD2-CE3 3.95Å; Y17-W20 HydrophobicContact CD2-CE3 3.95Å; Y17-W20 HydrophobicContact CD2-CZ3 4.37Å; Y17-W20 PolarHBondContact O-N 3.14Å; Y17-W20 VanDerWaalsContact O-N 3.17Å; Y17-V21 HydrophobicContact CD1-CG2 3.99Å; Y17-V21 HydrophobicContact CE1-CG2 3.51Å; Y17-V21 HydrophobicContact CE2-CG2 4.14Å; Y17-V21 WeakPolarHBondContact O-CG2 3.46Å; Y17-V21 PolarHBondContact O-N 3.43Å; Y17-F26 HydrophobicContact CD2-CE2 4.43Å; Y17-F26 HydrophobicContact CE2-CE2 4.01Å; Y17-A131 VanDerWaalsContact CD1-CA 3.47Å; Y17-A131 HydrophobicContact CD1-CB 3.39Å; Y17-A131 HydrophobicContact CE1-CB 3.41Å; Y17-A131 VanDerWaalsContact CE1-CB 3.41Å; Y17-A131 HydrophobicContact CG-CB 4.31Å; Y17-L135 WeakPolarHBondContact CE2-O 3.25Å; Y17-L135 VanDerWaalsContact CZ-O 3.26Å; Y17-L135 PolarHBondContact OH-O 3.05Å; Y17-Y139 HydrophobicContact CE1-CE2 4.1Å; Y17-Y139 WeakPolarHBondContact OH-CE2 3.16Å; Y17-Y139 PolarHBondContact OH-OH 3.01Å
18E97.2Very high96.4Very high114 Ų11455.1 Ų55.153%0.53328%0.284SS..Hα-helixtrans-61.2-38.5178-62.681.2178.200111.2G15 R16 K22G15-E18 WeakPolarHBondContact CA-OE2 3.39Å; R16-E18 VanDerWaalsContact C-N 3.34Å; E18-K22 WeakPolarHBondContact O-CB 3.48Å; E18-K22 PolarHBondContact O-N 3.28Å
19E97.2Very high96.1Very high76 Ų7656.2 Ų56.236%0.35530%0.295SS..Hα-helixtrans-60.7-49.9172.7-178-176.9-167.700111.7G15 R16 Y17 V21 K22 N23G15-E19 PolarHBondContact O-N 2.93Å; R16-E19 IonicContact CZ-OE2 2.62Å; R16-E19 IonicContact NE-OE2 3.75Å; R16-E19 IonicContact NH1-OE1 2.66Å; R16-E19 IonicContact NH1-OE2 2.77Å; R16-E19 PolarHBondContact NH1-OE2 3.34Å; R16-E19 WeakPolarHBondContact O-CB 3.33Å; R16-E19 PolarHBondContact O-N 3.27Å; Y17-E19 VanDerWaalsContact C-N 3.27Å; Y17-E19 PolarHBondContact O-N 3.11Å; E19-V21 PolarHBondContact O-N 2.88Å; E19-K22 PolarHBondContact O-N 2.96Å; E19-N23 WeakPolarHBondContact O-CB 3.46Å; E19-N23 PolarHBondContact O-N 3.36Å; E19-N23 PolarHBondContact O-ND2 2.78Å
20W97.8Very high95.5Very high0 Ų061.9 Ų61.90%032%0.321CS..Hα-helixtrans-60.5-44.3179.6-65.3-30000112.7R16 Y17 N23 G24 Y25 F26 P685 F686 E689 V703R16-W20 HydrophobicContact CG-CD2 4.04Å; R16-W20 HydrophobicContact CG-CE3 4.32Å; R16-W20 HydrophobicContact CG-CH2 3.65Å; R16-W20 HydrophobicContact CG-CZ2 3.33Å; R16-W20 HydrophobicContact CG-CZ3 4.14Å; R16-W20 PolarHBondContact O-N 3.04Å; R16-W20 VanDerWaalsContact O-N 3.09Å; Y17-W20 AromaticContact CD2-CE3 3.95Å; Y17-W20 HydrophobicContact CD2-CE3 3.95Å; Y17-W20 HydrophobicContact CD2-CZ3 4.37Å; Y17-W20 PolarHBondContact O-N 3.14Å; Y17-W20 VanDerWaalsContact O-N 3.17Å; W20-N23 PolarHBondContact O-N 3.41Å; W20-G24 PolarHBondContact O-N 3.19Å; W20-Y25 HydrophobicContact CB-CD2 4.22Å; W20-Y25 AromaticContact CD1-CD2 3.72Å; W20-Y25 HydrophobicContact CG-CD2 4.31Å; W20-Y25 PolarHBondContact O-N 2.82Å; W20-Y25 VanDerWaalsContact O-N 3.1Å; W20-F26 HydrophobicContact CB-CD2 4.31Å; W20-F26 HydrophobicContact CB-CE2 3.43Å; W20-F26 VanDerWaalsContact CB-CE2 3.43Å; W20-F26 HydrophobicContact CB-CZ 3.7Å; W20-F26 HydrophobicContact CD2-CE2 4.4Å; W20-F26 AromaticContact CD2-CZ 3.93Å; W20-F26 HydrophobicContact CD2-CZ 3.93Å; W20-F26 HydrophobicContact CE3-CE2 4.1Å; W20-F26 AromaticContact CE3-CZ 3.67Å; W20-F26 HydrophobicContact CE3-CZ 3.67Å; W20-F26 HydrophobicContact CG-CE2 4.22Å; W20-F26 HydrophobicContact CG-CZ 4.01Å; W20-P685 HydrophobicContact CH2-CB 3.92Å; W20-P685 HydrophobicContact CZ3-CB 4.39Å; W20-F686 AromaticContact CH2-CD1 3.73Å; W20-F686 HydrophobicContact CH2-CD1 3.73Å; W20-F686 HydrophobicContact CH2-CE1 4.01Å; W20-F686 HydrophobicContact CH2-CG 4.19Å; W20-F686 AromaticContact CZ3-CD1 4Å; W20-F686 HydrophobicContact CZ3-CD1 4Å; W20-F686 AromaticContact CZ3-CE1 3.76Å; W20-F686 HydrophobicContact CZ3-CE1 3.76Å; W20-F686 HydrophobicContact CZ3-CZ 4.23Å; W20-E689 HydrophobicContact CZ2-CB 3.82Å; W20-E689 HydrophobicContact CZ2-CG 3.83Å; W20-E689 PolarHBondContact NE1-OE1 2.71Å; W20-V703 HydrophobicContact CD2-CG2 4.48Å
21V96.6Very high95.4Very high52 Ų5257.4 Ų57.432%0.31531%0.309SS..Hα-helixtrans-65.5-46.2178.1173.80000110.6Y17 E19 N23 G24 F26 Y139Y17-V21 HydrophobicContact CD1-CG2 3.99Å; Y17-V21 HydrophobicContact CE1-CG2 3.51Å; Y17-V21 HydrophobicContact CE2-CG2 4.14Å; Y17-V21 WeakPolarHBondContact O-CG2 3.46Å; Y17-V21 PolarHBondContact O-N 3.43Å; E19-V21 PolarHBondContact O-N 2.88Å; V21-N23 VanDerWaalsContact C-N 3.29Å; V21-N23 PolarHBondContact O-N 2.77Å; V21-G24 PolarHBondContact O-N 3.46Å; V21-F26 HydrophobicContact CG2-CD2 4.33Å; V21-F26 HydrophobicContact CG2-CE2 4.45Å; V21-Y139 HydrophobicContact CG1-CD2 4.01Å; V21-Y139 HydrophobicContact CG1-CE2 4.37Å; V21-Y139 HydrophobicContact CG2-CD2 4.31Å; V21-Y139 HydrophobicContact CG2-CE2 3.95Å
22K96.6Very high95.2Very high179 Ų17960 Ų6078%0.77832%0.319SS*.Hα-helixtrans-59.4-39.7179.1179.9-176.4175.4-172.40112.2E18 E19 G24E18-K22 WeakPolarHBondContact O-CB 3.48Å; E18-K22 PolarHBondContact O-N 3.28Å; E19-K22 PolarHBondContact O-N 2.96Å; K22-G24 PolarHBondContact O-N 3.41Å
23N96.3Very high95.1Very high75 Ų7564.2 Ų64.240%0.40135%0.349SS..THydrogen-bonded Turntrans-81.70.8178.4-66.1-30.2000113.2E19 W20 V21 Y25E19-N23 WeakPolarHBondContact O-CB 3.46Å; E19-N23 PolarHBondContact O-N 3.36Å; E19-N23 PolarHBondContact O-ND2 2.78Å; W20-N23 PolarHBondContact O-N 3.41Å; V21-N23 VanDerWaalsContact C-N 3.29Å; V21-N23 PolarHBondContact O-N 2.77Å; N23-Y25 VanDerWaalsContact C-N 3.27Å; N23-Y25 HydrophobicContact CB-CD1 3.77Å; N23-Y25 HydrophobicContact CB-CD2 4.08Å; N23-Y25 HydrophobicContact CB-CE1 3.45Å; N23-Y25 VanDerWaalsContact CB-CE1 3.45Å; N23-Y25 HydrophobicContact CB-CE2 3.73Å; N23-Y25 HydrophobicContact CB-CG 4.11Å; N23-Y25 VanDerWaalsContact CB-CZ 3.42Å; N23-Y25 PolarHBondContact ND2-OH 3.09Å; N23-Y25 WeakPolarHBondContact O-CD1 3.49Å; N23-Y25 PolarHBondContact O-N 2.88Å
24G95.5Very high95.1Very high23 Ų2367.3 Ų67.324%0.23736%0.362CS..THydrogen-bonded Turntrans65.626.4176.300000113.7W20 V21 K22 F26 K27W20-G24 PolarHBondContact O-N 3.19Å; V21-G24 PolarHBondContact O-N 3.46Å; K22-G24 PolarHBondContact O-N 3.41Å; G24-F26 PolarHBondContact O-N 2.66Å; G24-K27 PolarHBondContact O-N 3.25Å
25Y95.8Very high95.1Very high21 Ų2170 Ų708%0.08236%0.361CS..THydrogen-bonded Turntrans-67.5-18.9-173.9-64.8-24.9000114.2W20 N23 R69 T701 K704W20-Y25 HydrophobicContact CB-CD2 4.22Å; W20-Y25 AromaticContact CD1-CD2 3.72Å; W20-Y25 HydrophobicContact CG-CD2 4.31Å; W20-Y25 PolarHBondContact O-N 2.82Å; W20-Y25 VanDerWaalsContact O-N 3.1Å; N23-Y25 VanDerWaalsContact C-N 3.27Å; N23-Y25 HydrophobicContact CB-CD1 3.77Å; N23-Y25 HydrophobicContact CB-CD2 4.08Å; N23-Y25 HydrophobicContact CB-CE1 3.45Å; N23-Y25 VanDerWaalsContact CB-CE1 3.45Å; N23-Y25 HydrophobicContact CB-CE2 3.73Å; N23-Y25 HydrophobicContact CB-CG 4.11Å; N23-Y25 VanDerWaalsContact CB-CZ 3.42Å; N23-Y25 PolarHBondContact ND2-OH 3.09Å; N23-Y25 WeakPolarHBondContact O-CD1 3.49Å; N23-Y25 PolarHBondContact O-N 2.88Å; Y25-R69 PolarHBondContact O-NH1 2.71Å; Y25-T701 HydrophobicContact CD1-CG2 4.28Å; Y25-T701 HydrophobicContact CD2-CG2 3.66Å; Y25-T701 HydrophobicContact CE1-CG2 4.16Å; Y25-T701 HydrophobicContact CE2-CG2 3.59Å; Y25-T701 HydrophobicContact CG-CG2 4.02Å; Y25-K704 HydrophobicContact CD1-CD 4.26Å
26F96.8Very high95.2Very high4 Ų469.2 Ų69.22%0.01835%0.348CS..THydrogen-bonded Turntrans-95.8-7.7178.7-58.1-51.4000114.6Y17 W20 V21 G24 R69 V703Y17-F26 HydrophobicContact CD2-CE2 4.43Å; Y17-F26 HydrophobicContact CE2-CE2 4.01Å; W20-F26 HydrophobicContact CB-CD2 4.31Å; W20-F26 HydrophobicContact CB-CE2 3.43Å; W20-F26 VanDerWaalsContact CB-CE2 3.43Å; W20-F26 HydrophobicContact CB-CZ 3.7Å; W20-F26 HydrophobicContact CD2-CE2 4.4Å; W20-F26 AromaticContact CD2-CZ 3.93Å; W20-F26 HydrophobicContact CD2-CZ 3.93Å; W20-F26 HydrophobicContact CE3-CE2 4.1Å; W20-F26 AromaticContact CE3-CZ 3.67Å; W20-F26 HydrophobicContact CE3-CZ 3.67Å; W20-F26 HydrophobicContact CG-CE2 4.22Å; W20-F26 HydrophobicContact CG-CZ 4.01Å; V21-F26 HydrophobicContact CG2-CD2 4.33Å; V21-F26 HydrophobicContact CG2-CE2 4.45Å; G24-F26 PolarHBondContact O-N 2.66Å; F26-R69 VanDerWaalsContact C-NH1 3.33Å; F26-R69 PolarHBondContact O-NH1 2.74Å; F26-R69 PolarHBondContact O-NH2 2.87Å; F26-V703 HydrophobicContact CD1-CG1 4Å; F26-V703 HydrophobicContact CE1-CG1 3.63Å; F26-V703 HydrophobicContact CE1-CG2 4.26Å
27K96Very high95.3Very high106 Ų10668.8 Ų68.846%0.46135%0.347SS..SBendtrans-64.2150.6173.8-65.9-171.3174.7-170.30110.2G24 R69G24-K27 PolarHBondContact O-N 3.25Å; K27-R69 PolarHBondContact O-NH1 2.81Å
28P94.9Very high95.3Very high10 Ų1068.4 Ų68.47%0.06535%0.345CS..  trans-54.9146.2165.2-21.332.2000110.2E30 D74 L76 D138 Y471P28-E30 PolarHBondContact O-N 3.12Å; P28-D74 WeakPolarHBondContact CA-OD1 3.29Å; P28-D74 WeakPolarHBondContact CB-OD1 3.4Å; P28-L76 HydrophobicContact CG-CB 4.1Å; P28-L76 HydrophobicContact CG-CD1 3.95Å; P28-D138 WeakPolarHBondContact CD-OD2 3.33Å; P28-Y471 WeakPolarHBondContact CB-OH 3.18Å
29S90.6Very high95.4Very high63 Ų6363 Ų6344%0.44132%0.32SS..  trans-70-18.4175.665.40000113.5D31 D74S29-D31 PolarHBondContact O-N 3.02Å; S29-D74 WeakPolarHBondContact CA-OD1 3.46Å; S29-D74 WeakPolarHBondContact CB-OD1 3.24Å; S29-D74 PolarHBondContact N-OD1 2.71Å; S29-D74 PolarHBondContact OG-OD1 3.01Å
30E84.7Confident95.4Very high126 Ų12659.3 Ų59.359%0.58930%0.303SS*.  trans60.69.8-176.9-57.7-178.817200114.1P28 K32 D74P28-E30 PolarHBondContact O-N 3.12Å; E30-K32 PolarHBondContact O-N 3.43Å; E30-K32 VanDerWaalsContact O-N 3.15Å; E30-D74 PolarHBondContact N-OD1 3.04Å; E30-D74 PolarHBondContact N-OD2 3.18Å
31D92Very high95.3Very high64 Ų6459.4 Ų59.434%0.34230%0.303SS..  trans-73.1105.4176.9-178-10000110.3S29 S33 K34 R470S29-D31 PolarHBondContact O-N 3.02Å; D31-S33 VanDerWaalsContact CG-OG 3.26Å; D31-S33 PolarHBondContact O-N 3.1Å; D31-S33 WeakPolarHBondContact OD1-CB 3.37Å; D31-S33 PolarHBondContact OD1-N 3.07Å; D31-S33 PolarHBondContact OD1-OG 2.82Å; D31-S33 PolarHBondContact OD2-OG 3.43Å; D31-K34 HydrophobicContact CB-CD 4Å; D31-K34 HydrophobicContact CB-CG 4.16Å; D31-K34 PolarHBondContact O-N 3.49Å; D31-K34 WeakPolarHBondContact OD2-CE 3.26Å; D31-R470 VanDerWaalsContact C-NH2 3.27Å; D31-R470 PolarHBondContact O-NH2 3.44Å
32K91.7Very high95.3Very high166 Ų16657.7 Ų57.772%0.72229%0.293SS*.THydrogen-bonded Turntrans-64.6-11.5-176.8-60.5-171.4179.8-175.80114.4E30E30-K32 PolarHBondContact O-N 3.43Å; E30-K32 VanDerWaalsContact O-N 3.15Å
33S95Very high95.2Very high102 Ų10249.7 Ų49.771%0.71326%0.259SS*.THydrogen-bonded Turntrans-81.1-17.9174.9720000113.7D31D31-S33 VanDerWaalsContact CG-OG 3.26Å; D31-S33 PolarHBondContact O-N 3.1Å; D31-S33 WeakPolarHBondContact OD1-CB 3.37Å; D31-S33 PolarHBondContact OD1-N 3.07Å; D31-S33 PolarHBondContact OD1-OG 2.82Å; D31-S33 PolarHBondContact OD2-OG 3.43Å
34K96.1Very high95.1Very high82 Ų8246.5 Ų46.536%0.35724%0.243SC..SBendtrans-88.3143.4-179.8-64.8-179.7177.6-171.50111.7D31 G72 D74D31-K34 HydrophobicContact CB-CD 4Å; D31-K34 HydrophobicContact CB-CG 4.16Å; D31-K34 PolarHBondContact O-N 3.49Å; D31-K34 WeakPolarHBondContact OD2-CE 3.26Å; K34-G72 WeakPolarHBondContact CD-O 3.42Å; K34-D74 HydrophobicContact CB-CB 4.06Å
35E97Very high94.9Very high129 Ų12948.1 Ų48.160%0.60325%0.246SC*.PPolyproline II helixtrans-68.4141.7169.3-170.2175.4-179.200110.1Y73 D74E35-Y73 HydrophobicContact CB-CD1 3.93Å; E35-Y73 HydrophobicContact CB-CE1 3.94Å; E35-Y73 HydrophobicContact CG-CD1 4.07Å; E35-Y73 HydrophobicContact CG-CE1 3.82Å; E35-Y73 CarbonylContact O-C 3.44Å; E35-Y73 WeakPolarHBondContact O-CA 3.41Å; E35-Y73 WeakPolarHBondContact OE2-CE1 3.41Å; E35-D74 PolarHBondContact O-N 3.47Å
36T97.8Very high94.5Very high29 Ų2947.1 Ų47.118%0.17824%0.242CC..EExtended strand (participates in β ladder)trans-86.6148-177.550.70000111.6D74 R470 Y471 N475T36-D74 WeakPolarHBondContact CA-O 3.41Å; T36-D74 HydrophobicContact CG2-CB 4.32Å; T36-R470 HydrophobicContact CG2-CG 3.74Å; T36-R470 PolarHBondContact OG1-O 3.02Å; T36-Y471 HydrophobicContact CG2-CD1 3.88Å; T36-Y471 HydrophobicContact CG2-CE1 3.78Å; T36-N475 PolarHBondContact O-ND2 2.65Å
37Y98.1Very high93.8Very high15 Ų1548.6 Ų48.66%0.05925%0.251CS..EExtended strand (participates in β ladder)trans-134.6105.6168.5-157.8-77.1000110.4I39 I64 K68 Y73 D74 T75 L76 N475 Y625Y37-I39 HydrophobicContact CD1-CG1 4.32Å; Y37-I39 HydrophobicContact CE1-CD1 4.02Å; Y37-I39 HydrophobicContact CE1-CG1 3.93Å; Y37-I64 HydrophobicContact CD1-CG2 4.44Å; Y37-I64 HydrophobicContact CE1-CG2 3.44Å; Y37-I64 VanDerWaalsContact CE1-CG2 3.44Å; Y37-I64 WeakPolarHBondContact OH-CG2 3.49Å; Y37-K68 HydrophobicContact CD1-CB 4.13Å; Y37-K68 HydrophobicContact CD1-CG 3.87Å; Y37-K68 HydrophobicContact CD2-CB 4.15Å; Y37-K68 HydrophobicContact CD2-CD 3.54Å; Y37-K68 HydrophobicContact CD2-CG 3.6Å; Y37-K68 HydrophobicContact CE1-CG 3.97Å; Y37-K68 HydrophobicContact CE2-CD 3.57Å; Y37-K68 HydrophobicContact CE2-CG 3.7Å; Y37-K68 HydrophobicContact CG-CB 3.82Å; Y37-K68 HydrophobicContact CG-CD 4.13Å; Y37-K68 HydrophobicContact CG-CG 3.68Å; Y37-Y73 HydrophobicContact CD2-CD1 4.35Å; Y37-D74 PolarHBondContact N-O 3.41Å; Y37-T75 CarbonylContact O-C 3.59Å; Y37-T75 VanDerWaalsContact O-CA 3.26Å; Y37-T75 WeakPolarHBondContact O-CA 3.48Å; Y37-T75 WeakPolarHBondContact O-CG2 3.34Å; Y37-L76 PolarHBondContact O-N 3.4Å; Y37-N475 VanDerWaalsContact CA-OD1 3.28Å; Y37-N475 WeakPolarHBondContact CA-OD1 3.46Å; Y37-N475 HydrophobicContact CD1-CB 4.02Å; Y37-N475 HydrophobicContact CD2-CB 3.85Å; Y37-N475 HydrophobicContact CE1-CB 3.89Å; Y37-N475 HydrophobicContact CE2-CB 3.74Å; Y37-N475 HydrophobicContact CG-CB 4.01Å; Y37-Y625 PolarHBondContact OH-OH 3.46Å
38T98.3Very high92.9Very high0 Ų044.5 Ų44.50%024%0.239CC..EExtended strand (participates in β ladder)trans-109.7129.8-173.4-48.40000111.2L76 Y471 T474 N475T38-L76 WeakPolarHBondContact CA-O 3.48Å; T38-L76 HydrophobicContact CG2-CB 4.18Å; T38-L76 HydrophobicContact CG2-CD2 4.05Å; T38-L76 HydrophobicContact CG2-CG 4.16Å; T38-Y471 VanDerWaalsContact OG1-CB 3.31Å; T38-Y471 WeakPolarHBondContact OG1-CB 2.85Å; T38-Y471 WeakPolarHBondContact OG1-CD1 3.49Å; T38-Y471 PolarHBondContact OG1-O 3.04Å; T38-Y471 VanDerWaalsContact OG1-O 3.13Å; T38-T474 HydrophobicContact CG2-CG2 3.86Å; T38-N475 PolarHBondContact N-OD1 3.03Å; T38-N475 PolarHBondContact O-N 3.25Å
39I98.5Very high92.5Very high0 Ų049.6 Ų49.60%026%0.261CS..EExtended strand (participates in β ladder)trans-126.5138.5165-59.9-169.6000108.2Y37 Q61 I64 T65 L76 Y77 L78 A476Y37-I39 HydrophobicContact CD1-CG1 4.32Å; Y37-I39 HydrophobicContact CE1-CD1 4.02Å; Y37-I39 HydrophobicContact CE1-CG1 3.93Å; I39-Q61 HydrophobicContact CG2-CB 4.17Å; I39-Q61 HydrophobicContact CG2-CG 3.94Å; I39-I64 HydrophobicContact CD1-CB 3.95Å; I39-I64 HydrophobicContact CD1-CD1 4.26Å; I39-I64 HydrophobicContact CD1-CG2 3.81Å; I39-T65 HydrophobicContact CB-CG2 4.02Å; I39-T65 HydrophobicContact CD1-CG2 3.78Å; I39-T65 HydrophobicContact CG1-CG2 3.9Å; I39-L76 PolarHBondContact N-O 2.94Å; I39-Y77 HydrophobicContact CB-CD2 4.28Å; I39-Y77 HydrophobicContact CG2-CD2 4.27Å; I39-Y77 HydrophobicContact CG2-CE2 4.2Å; I39-Y77 WeakPolarHBondContact O-CA 3.3Å; I39-L78 PolarHBondContact O-N 2.85Å; I39-A476 HydrophobicContact CD1-CB 4.22Å; I39-A476 HydrophobicContact CG1-CB 4.34Å
40V97.2Very high92.5Very high0 Ų047 Ų470%024%0.242CC..EExtended strand (participates in β ladder)trans-106.2133.2170.6-65.10000109P42 L78 T474 L477V40-P42 WeakPolarHBondContact O-CD 3.38Å; V40-L78 HydrophobicContact CG1-CB 4.19Å; V40-T474 HydrophobicContact CG1-CG2 4.24Å; V40-L477 HydrophobicContact CG2-CD1 4.5Å
41I96.3Very high92.8Very high1 Ų146 Ų461%0.00524%0.237CC..  trans-61.9131.6172.5-77.3-169.5000109P43 T58 Y77 L78 P79 W130 L137 W453I41-P43 VanDerWaalsContact O-CD 3.27Å; I41-P43 WeakPolarHBondContact O-CD 3.39Å; I41-T58 HydrophobicContact CD1-CG2 4.21Å; I41-Y77 HydrophobicContact CD1-CE2 3.98Å; I41-Y77 HydrophobicContact CG1-CD2 4.16Å; I41-Y77 HydrophobicContact CG1-CE2 3.28Å; I41-L78 PolarHBondContact N-O 3.43Å; I41-P79 HydrophobicContact CD1-CB 4.32Å; I41-W130 HydrophobicContact CD1-CZ2 4.19Å; I41-W130 HydrophobicContact CG2-CZ2 4.23Å; I41-L137 HydrophobicContact CD1-CD1 4.15Å; I41-L137 HydrophobicContact CD1-CD2 3.45Å; I41-L137 VanDerWaalsContact CD1-CD2 3.45Å; I41-L137 HydrophobicContact CD1-CG 4.45Å; I41-L137 HydrophobicContact CG1-CD2 4.24Å; I41-W453 PolarHBondContact O-NE1 3.35Å
42P95.4Very high92.9Very high16 Ų1643 Ų4310%0.10422%0.221CC..  trans-54.1108.2159.1-23.635.2000109.6V40 P44 D57 V478 W487V40-P42 WeakPolarHBondContact O-CD 3.38Å; P42-P44 WeakPolarHBondContact O-CD 3.46Å; P42-D57 WeakPolarHBondContact CG-OD2 3.38Å; P42-V478 WeakPolarHBondContact CG-O 3.49Å; P42-W487 HydrophobicContact CB-CE3 4.35Å; P42-W487 HydrophobicContact CB-CH2 3.64Å; P42-W487 HydrophobicContact CB-CZ3 3.42Å; P42-W487 VanDerWaalsContact CB-CZ3 3.42Å; P42-W487 HydrophobicContact CG-CH2 3.94Å; P42-W487 HydrophobicContact CG-CZ3 3.66Å
43P94.8Very high93Very high11 Ų1135.9 Ų35.97%0.07120%0.195CC..  trans-66.6113.2-164.125.2-31.9000109.1I41 G80 D82 W453 W487I41-P43 VanDerWaalsContact O-CD 3.27Å; I41-P43 WeakPolarHBondContact O-CD 3.39Å; P43-G80 WeakPolarHBondContact CA-O 3.41Å; P43-D82 HydrophobicContact CB-CB 3.99Å; P43-D82 HydrophobicContact CG-CB 4.09Å; P43-D82 WeakPolarHBondContact O-CB 3.23Å; P43-W453 HydrophobicContact CB-CD2 4.43Å; P43-W453 HydrophobicContact CB-CH2 3.83Å; P43-W453 HydrophobicContact CB-CZ2 3.6Å; P43-W453 HydrophobicContact CB-CZ3 4.33Å; P43-W453 HydrophobicContact CG-CD2 3.89Å; P43-W453 HydrophobicContact CG-CE3 4.19Å; P43-W453 HydrophobicContact CG-CG 4.38Å; P43-W453 HydrophobicContact CG-CH2 4.27Å; P43-W453 HydrophobicContact CG-CZ2 3.98Å; P43-W453 HydrophobicContact CG-CZ3 4.35Å; P43-W487 VanDerWaalsContact CD-CZ2 3.46Å; P43-W487 HydrophobicContact CG-CZ2 4.4Å
44P93.7Very high92.9Very high8 Ų833.6 Ų33.65%0.05217%0.172CC..  trans-65.5143.9-18026.6-34.7000110.4P42 L50 G80 D82 I126 W130P42-P44 WeakPolarHBondContact O-CD 3.46Å; P44-L50 HydrophobicContact CB-CD2 3.5Å; P44-L50 HydrophobicContact CG-CD2 4.02Å; P44-G80 VanDerWaalsContact CD-O 3.31Å; P44-G80 WeakPolarHBondContact CD-O 3.44Å; P44-D82 PolarHBondContact O-N 3.07Å; P44-I126 HydrophobicContact CG-CD1 4.32Å; P44-I126 HydrophobicContact CG-CG2 3.93Å; P44-W130 HydrophobicContact CG-CH2 4.38Å; P44-W130 HydrophobicContact CG-CZ2 3.6Å
45N92Very high92.9Very high58 Ų5829.7 Ų29.731%0.3116%0.156SC..BIsolated β-bridgetrans-65.8132.7177.6-66.7-18.9000110.8T47 A84N45-T47 HydrophobicContact CB-CG2 3.99Å; N45-T47 PolarHBondContact O-N 3.42Å; N45-A84 HydrophobicContact CB-CB 3.52Å; N45-A84 VanDerWaalsContact CG-CB 3.41Å; N45-A84 WeakPolarHBondContact OD1-CB 3.42Å
46V88.7Confident92.9Very high0 Ų023.9 Ų23.90%013%0.128CC..THydrogen-bonded Turntrans-73.545.9175.1-61.90000113.4M81 D82 T88 W118 K119 I126 F144V46-M81 HydrophobicContact CG1-CB 3.97Å; V46-M81 HydrophobicContact CG1-SD 4.18Å; V46-D82 WeakPolarHBondContact CG2-O 3.21Å; V46-D82 PolarHBondContact N-O 3.45Å; V46-T88 HydrophobicContact CG2-CG2 4.22Å; V46-W118 PolarHBondContact O-NE1 3.23Å; V46-K119 HydrophobicContact CB-CG 4.45Å; V46-K119 HydrophobicContact CG1-CG 4.19Å; V46-K119 HydrophobicContact CG2-CB 4.39Å; V46-K119 HydrophobicContact CG2-CG 4.26Å; V46-I126 HydrophobicContact CG1-CD1 4.46Å; V46-F144 HydrophobicContact CG1-CE2 4.16Å; V46-F144 HydrophobicContact CG2-CE2 4.44Å
47T81Confident92.9Very high34 Ų3423 Ų2321%0.20912%0.123CC..THydrogen-bonded Turntrans-114.6-7.9-171.659.10000113.7N45 A84 A87 T88N45-T47 HydrophobicContact CB-CG2 3.99Å; N45-T47 PolarHBondContact O-N 3.42Å; T47-A84 HydrophobicContact CG2-CB 3.99Å; T47-A87 HydrophobicContact CG2-CB 3.71Å; T47-T88 WeakPolarHBondContact CG2-OG1 3.36Å
48G77.9Confident92.9Very high20 Ų2022.5 Ų22.521%0.20612%0.121CC..SBendtrans178.8179.4-172.600000113.2Y122G48-Y122 VanDerWaalsContact CA-CE1 3.48Å
49K86.2Confident92.9Very high118 Ų11822.5 Ų22.551%0.51312%0.121SC..  trans-71.9147.8167.3-63.2-175.4179.3-175.50110.2
50L90.4Very high92.8Very high9 Ų922.9 Ų22.95%0.04712%0.123CC..  trans-64.1144.4172.3-55.5-175.6000110.8P44 H54 I126 Q129P44-L50 HydrophobicContact CB-CD2 3.5Å; P44-L50 HydrophobicContact CG-CD2 4.02Å; L50-H54 HydrophobicContact CB-CB 3.94Å; L50-H54 HydrophobicContact CD1-CB 4.27Å; L50-H54 HydrophobicContact CD2-CB 4.1Å; L50-H54 HydrophobicContact CG-CB 4.33Å; L50-I126 HydrophobicContact CD1-CG2 4.18Å; L50-I126 HydrophobicContact CD2-CG1 4.16Å; L50-I126 HydrophobicContact CD2-CG2 4.5Å; L50-I126 HydrophobicContact CG-CG1 4.26Å; L50-I126 HydrophobicContact CG-CG2 4.47Å; L50-Q129 HydrophobicContact CD1-CB 4.17Å; L50-Q129 PolarHBondContact O-NE2 2.91Å
51H91.1Very high92.9Very high104 Ų10422.9 Ų22.948%0.48112%0.123SC..  trans-110.2175.7174.757.454.3000111.6G53 H54 A55H51-G53 WeakPolarHBondContact ND1-CA 3.26Å; H51-G53 PolarHBondContact ND1-N 3.15Å; H51-G53 PolarHBondContact O-N 2.68Å; H51-H54 AromaticContact CD2-CE1 3.6Å; H51-H54 AromaticContact CD2-ND1 3.61Å; H51-H54 AromaticContact CE1-CE1 3.35Å; H51-H54 PolarHBondContact CE1-CE1 3.21Å; H51-H54 AromaticContact CE1-ND1 3.14Å; H51-H54 PolarHBondContact CE1-ND1 2.74Å; H51-H54 AromaticContact CG-CE1 3.97Å; H51-H54 AromaticContact CG-ND1 3.5Å; H51-H54 PolarHBondContact N-ND1 2.74Å; H51-H54 AromaticContact ND1-CE1 3.81Å; H51-H54 AromaticContact ND1-ND1 3.18Å; H51-H54 PolarHBondContact ND1-ND1 2.98Å; H51-H54 VanDerWaalsContact ND1-ND1 3.18Å; H51-H54 AromaticContact NE2-CE1 3.19Å; H51-H54 PolarHBondContact NE2-CE1 3.21Å; H51-H54 AromaticContact NE2-ND1 3.41Å; H51-H54 PolarHBondContact NE2-ND1 2.79Å; H51-H54 WeakPolarHBondContact O-CB 3.35Å; H51-H54 PolarHBondContact O-N 2.99Å; H51-A55 PolarHBondContact O-N 2.86Å
52L93.7Very high93Very high1 Ų122.8 Ų22.81%0.00512%0.123CC..Hα-helixtrans-50.3-35.4-179.8-74.5175.1000115.3H54 A55 W56 V513 M521 V529 P531 L543 Y559L52-H54 VanDerWaalsContact C-N 3.35Å; L52-H54 PolarHBondContact O-N 3.07Å; L52-A55 WeakPolarHBondContact O-CB 3.33Å; L52-A55 PolarHBondContact O-N 3.04Å; L52-W56 PolarHBondContact O-N 2.8Å; L52-V513 HydrophobicContact CB-CG1 4.32Å; L52-V513 HydrophobicContact CB-CG2 4.43Å; L52-M521 HydrophobicContact CB-CE 4.22Å; L52-M521 HydrophobicContact CD1-CE 4.01Å; L52-M521 HydrophobicContact CD1-SD 4.23Å; L52-V529 HydrophobicContact CD1-CB 3.7Å; L52-V529 HydrophobicContact CD1-CG1 3.95Å; L52-V529 HydrophobicContact CG-CB 4.45Å; L52-P531 HydrophobicContact CD2-CB 4.15Å; L52-L543 HydrophobicContact CD2-CD1 3.71Å; L52-L543 HydrophobicContact CD2-CD2 4.35Å; L52-Y559 HydrophobicContact CD1-CD2 3.36Å; L52-Y559 HydrophobicContact CD1-CE2 3.74Å; L52-Y559 HydrophobicContact CD1-CG 3.88Å; L52-Y559 HydrophobicContact CD2-CE2 4.44Å
53G92.9Very high93.2Very high17 Ų1722 Ų2218%0.17512%0.118CC..Hα-helixtrans-57-42.5173.300000114.3H51 W56 D57H51-G53 WeakPolarHBondContact ND1-CA 3.26Å; H51-G53 PolarHBondContact ND1-N 3.15Å; H51-G53 PolarHBondContact O-N 2.68Å; G53-W56 PolarHBondContact O-N 3.48Å; G53-D57 PolarHBondContact O-N 2.97Å
54H94.4Very high93.4Very high53 Ų5321.9 Ų21.925%0.24512%0.116CC..Hα-helixtrans-70.6-37176-59.898.6000111.5L50 H51 L52 W56 T58L50-H54 HydrophobicContact CB-CB 3.94Å; L50-H54 HydrophobicContact CD1-CB 4.27Å; L50-H54 HydrophobicContact CD2-CB 4.1Å; L50-H54 HydrophobicContact CG-CB 4.33Å; H51-H54 AromaticContact CD2-CE1 3.6Å; H51-H54 AromaticContact CD2-ND1 3.61Å; H51-H54 AromaticContact CE1-CE1 3.35Å; H51-H54 PolarHBondContact CE1-CE1 3.21Å; H51-H54 AromaticContact CE1-ND1 3.14Å; H51-H54 PolarHBondContact CE1-ND1 2.74Å; H51-H54 AromaticContact CG-CE1 3.97Å; H51-H54 AromaticContact CG-ND1 3.5Å; H51-H54 PolarHBondContact N-ND1 2.74Å; H51-H54 AromaticContact ND1-CE1 3.81Å; H51-H54 AromaticContact ND1-ND1 3.18Å; H51-H54 PolarHBondContact ND1-ND1 2.98Å; H51-H54 VanDerWaalsContact ND1-ND1 3.18Å; H51-H54 AromaticContact NE2-CE1 3.19Å; H51-H54 PolarHBondContact NE2-CE1 3.21Å; H51-H54 AromaticContact NE2-ND1 3.41Å; H51-H54 PolarHBondContact NE2-ND1 2.79Å; H51-H54 WeakPolarHBondContact O-CB 3.35Å; H51-H54 PolarHBondContact O-N 2.99Å; L52-H54 VanDerWaalsContact C-N 3.35Å; L52-H54 PolarHBondContact O-N 3.07Å; H54-W56 VanDerWaalsContact C-N 3.26Å; H54-W56 PolarHBondContact O-N 3.26Å; H54-T58 WeakPolarHBondContact O-CB 3.5Å; H54-T58 PolarHBondContact O-N 3.11Å; H54-T58 PolarHBondContact O-OG1 2.82Å
55A96Very high93.6Very high1 Ų121.5 Ų21.51%0.00811%0.114CC..Hα-helixtrans-62-38.4174.800000110.9H51 L52 T58 T59 L133 P531 L547H51-A55 PolarHBondContact O-N 2.86Å; L52-A55 WeakPolarHBondContact O-CB 3.33Å; L52-A55 PolarHBondContact O-N 3.04Å; A55-T58 PolarHBondContact O-OG1 3.28Å; A55-T59 WeakPolarHBondContact O-CB 3.5Å; A55-T59 PolarHBondContact O-N 2.89Å; A55-T59 PolarHBondContact O-OG1 2.91Å; A55-L133 HydrophobicContact CB-CD1 3.86Å; A55-L133 HydrophobicContact CB-CD2 4.21Å; A55-P531 HydrophobicContact CB-CB 4.24Å; A55-L547 HydrophobicContact CB-CD1 3.79Å
56W96.5Very high93.9Very high6 Ų619 Ų192%0.02310%0.1CC..Hα-helixtrans-66.7-53.4177.4-174.416.2000111.4L52 G53 H54 T58 T59 L60 H510 G511 V513 L547 H555 L557L52-W56 PolarHBondContact O-N 2.8Å; G53-W56 PolarHBondContact O-N 3.48Å; H54-W56 VanDerWaalsContact C-N 3.26Å; H54-W56 PolarHBondContact O-N 3.26Å; W56-T58 PolarHBondContact O-N 3.03Å; W56-T59 PolarHBondContact O-N 3.47Å; W56-L60 WeakPolarHBondContact O-CG 3.48Å; W56-L60 PolarHBondContact O-N 2.84Å; W56-L60 VanDerWaalsContact O-N 3.1Å; W56-H510 AromaticContact CE3-ND1 3.84Å; W56-H510 HydrophobicContact CH2-CB 4.13Å; W56-H510 HydrophobicContact CZ2-CB 3.97Å; W56-H510 HydrophobicContact CZ3-CB 4.48Å; W56-G511 VanDerWaalsContact CZ3-C 3.46Å; W56-G511 WeakPolarHBondContact CZ3-O 3.49Å; W56-V513 HydrophobicContact CB-CG2 4.35Å; W56-V513 HydrophobicContact CD2-CG2 4.35Å; W56-V513 HydrophobicContact CE3-CG2 3.52Å; W56-V513 HydrophobicContact CZ3-CG2 4.17Å; W56-L547 HydrophobicContact CB-CB 4.2Å; W56-L547 HydrophobicContact CB-CD1 4.23Å; W56-L547 HydrophobicContact CB-CD2 4.18Å; W56-L547 HydrophobicContact CB-CG 4.43Å; W56-L547 VanDerWaalsContact CD1-O 3.31Å; W56-L547 HydrophobicContact CG-CB 4.15Å; W56-L547 PolarHBondContact NE1-O 3.48Å; W56-H555 WeakPolarHBondContact CH2-O 3.38Å; W56-L557 HydrophobicContact CD2-CD2 4.3Å; W56-L557 HydrophobicContact CE3-CB 4.17Å; W56-L557 HydrophobicContact CE3-CD2 4.45Å; W56-L557 HydrophobicContact CH2-CB 3.58Å; W56-L557 HydrophobicContact CZ2-CB 4.12Å; W56-L557 HydrophobicContact CZ3-CB 3.6Å
57D97.1Very high94.3Very high12 Ų1219.2 Ų19.26%0.06410%0.101CC..Hα-helixtrans-52-55.2178.917847.5000111.9P42 G53 T59 L60 Q61 H510P42-D57 WeakPolarHBondContact CG-OD2 3.38Å; G53-D57 PolarHBondContact O-N 2.97Å; D57-T59 VanDerWaalsContact C-N 3.33Å; D57-T59 PolarHBondContact O-N 2.96Å; D57-L60 PolarHBondContact O-N 2.86Å; D57-Q61 WeakPolarHBondContact O-CG 3.37Å; D57-Q61 PolarHBondContact O-N 2.7Å; D57-Q61 PolarHBondContact O-NE2 3.08Å; D57-Q61 PolarHBondContact OD1-NE2 2.86Å; D57-Q61 PolarHBondContact OD2-NE2 2.82Å; D57-H510 VanDerWaalsContact CB-NE2 3.35Å; D57-H510 WeakPolarHBondContact CB-NE2 2.98Å; D57-H510 IonicContact OD1-CD2 2.67Å; D57-H510 IonicContact OD1-NE2 3.18Å; D57-H510 PolarHBondContact OD1-NE2 3.46Å
58T98Very high95.1Very high3 Ų318.6 Ų18.62%0.01810%0.096CC..Hα-helixtrans-69.6-27.3-178.654.40000113.8I41 H54 A55 W56 D62 Y77 L135I41-T58 HydrophobicContact CD1-CG2 4.21Å; H54-T58 WeakPolarHBondContact O-CB 3.5Å; H54-T58 PolarHBondContact O-N 3.11Å; H54-T58 PolarHBondContact O-OG1 2.82Å; A55-T58 PolarHBondContact O-OG1 3.28Å; W56-T58 PolarHBondContact O-N 3.03Å; T58-D62 WeakPolarHBondContact O-CB 3.09Å; T58-D62 PolarHBondContact O-N 3.04Å; T58-Y77 PolarHBondContact O-OH 3.48Å; T58-L135 HydrophobicContact CG2-CD1 3.99Å
59T98.2Very high96.1Very high0 Ų019.4 Ų19.40%09%0.092CC..Hα-helixtrans-65.7-43.8173.2-66.30000111A55 W56 D57 Q61 D62 I63 R544 A548A55-T59 WeakPolarHBondContact O-CB 3.5Å; A55-T59 PolarHBondContact O-N 2.89Å; A55-T59 PolarHBondContact O-OG1 2.91Å; W56-T59 PolarHBondContact O-N 3.47Å; D57-T59 VanDerWaalsContact C-N 3.33Å; D57-T59 PolarHBondContact O-N 2.96Å; T59-Q61 VanDerWaalsContact C-N 3.35Å; T59-Q61 PolarHBondContact O-N 3.32Å; T59-D62 PolarHBondContact O-N 3.31Å; T59-I63 HydrophobicContact CG2-CD1 3.82Å; T59-I63 HydrophobicContact CG2-CG1 4.45Å; T59-I63 WeakPolarHBondContact O-CD1 3.41Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.42Å; T59-I63 PolarHBondContact O-N 2.8Å; T59-R544 HydrophobicContact CG2-CB 3.75Å; T59-R544 HydrophobicContact CG2-CG 3.98Å; T59-A548 HydrophobicContact CG2-CB 4.19Å
60L98.2Very high96.6Very high8 Ų814 Ų144%0.0427%0.069CC..Hα-helixtrans-61.6-45.1177.8-66178.2000111W56 D57 D62 I63 I64 V478 H510 A548 F627W56-L60 WeakPolarHBondContact O-CG 3.48Å; W56-L60 PolarHBondContact O-N 2.84Å; W56-L60 VanDerWaalsContact O-N 3.1Å; D57-L60 PolarHBondContact O-N 2.86Å; L60-D62 PolarHBondContact O-N 3.03Å; L60-I63 PolarHBondContact O-N 2.73Å; L60-I64 WeakPolarHBondContact O-CD1 3.11Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 2.97Å; L60-I64 VanDerWaalsContact O-N 3.11Å; L60-V478 HydrophobicContact CB-CG1 4.01Å; L60-V478 HydrophobicContact CD1-CG1 4.23Å; L60-H510 HydrophobicContact CD1-CB 3.94Å; L60-A548 HydrophobicContact CD2-CB 4.23Å; L60-F627 HydrophobicContact CD2-CD2 3.62Å; L60-F627 HydrophobicContact CD2-CE2 4.08Å; L60-F627 HydrophobicContact CD2-CG 4.46Å
61Q98.6Very high96.9Very high0 Ų016 Ų160%08%0.078CC..Hα-helixtrans-61.1-44176.1-67169.751.100112.2I39 D57 T59 I63 I64 T65 Y77 V478I39-Q61 HydrophobicContact CG2-CB 4.17Å; I39-Q61 HydrophobicContact CG2-CG 3.94Å; D57-Q61 WeakPolarHBondContact O-CG 3.37Å; D57-Q61 PolarHBondContact O-N 2.7Å; D57-Q61 PolarHBondContact O-NE2 3.08Å; D57-Q61 PolarHBondContact OD1-NE2 2.86Å; D57-Q61 PolarHBondContact OD2-NE2 2.82Å; T59-Q61 VanDerWaalsContact C-N 3.35Å; T59-Q61 PolarHBondContact O-N 3.32Å; Q61-I63 PolarHBondContact O-N 2.62Å; Q61-I64 PolarHBondContact O-N 3.4Å; Q61-T65 WeakPolarHBondContact O-CG2 3.39Å; Q61-T65 PolarHBondContact O-N 3.47Å; Q61-T65 PolarHBondContact O-OG1 3.44Å; Q61-Y77 HydrophobicContact CB-CE1 4.3Å; Q61-Y77 HydrophobicContact CB-CE2 3.79Å; Q61-Y77 WeakPolarHBondContact CB-OH 3.49Å; Q61-Y77 VanDerWaalsContact OE1-CE2 3.31Å; Q61-Y77 PolarHBondContact OE1-OH 3.05Å; Q61-V478 HydrophobicContact CG-CB 3.45Å; Q61-V478 VanDerWaalsContact CG-CB 3.45Å; Q61-V478 HydrophobicContact CG-CG1 4.06Å; Q61-V478 HydrophobicContact CG-CG2 3.56Å
62D98.7Very high97.2Very high0 Ų012.8 Ų12.80%07%0.072CC..Hα-helixtrans-67-35.9178.8-166.252000112.4T58 T59 L60 T65 R66 Y77 L135 G136 R544T58-D62 WeakPolarHBondContact O-CB 3.09Å; T58-D62 PolarHBondContact O-N 3.04Å; T59-D62 PolarHBondContact O-N 3.31Å; L60-D62 PolarHBondContact O-N 3.03Å; D62-T65 WeakPolarHBondContact CA-OG1 3.39Å; D62-T65 PolarHBondContact O-OG1 2.88Å; D62-R66 VanDerWaalsContact O-CB 3.27Å; D62-R66 WeakPolarHBondContact O-CB 3.43Å; D62-R66 WeakPolarHBondContact O-CG 3.46Å; D62-R66 PolarHBondContact O-N 3.12Å; D62-R66 IonicContact OD1-NE 3.93Å; D62-R66 PolarHBondContact OD1-NE 3.35Å; D62-R66 IonicContact OD2-CZ 3.37Å; D62-R66 IonicContact OD2-NE 2.68Å; D62-R66 PolarHBondContact OD2-NE 3.43Å; D62-R66 IonicContact OD2-NH2 2.65Å; D62-Y77 HydrophobicContact CB-CE1 3.95Å; D62-L135 HydrophobicContact CB-CD2 3.85Å; D62-G136 WeakPolarHBondContact OD1-CA 3.43Å; D62-G136 PolarHBondContact OD1-N 2.91Å; D62-R544 IonicContact OD2-CZ 2.75Å; D62-R544 IonicContact OD2-NH1 3.44Å; D62-R544 PolarHBondContact OD2-NH1 2.91Å; D62-R544 IonicContact OD2-NH2 2.64Å; D62-R544 PolarHBondContact OD2-NH2 3.3Å
63I98.6Very high97.4Very high0 Ų015.7 Ų15.70%08%0.084CC..Hα-helixtrans-59.1-51172.9-74.6161.3000110.1T59 L60 Q61 T65 R66 M67 A548 F627 P682 F683T59-I63 HydrophobicContact CG2-CD1 3.82Å; T59-I63 HydrophobicContact CG2-CG1 4.45Å; T59-I63 WeakPolarHBondContact O-CD1 3.41Å; T59-I63 VanDerWaalsContact O-CG1 3.29Å; T59-I63 WeakPolarHBondContact O-CG1 3.42Å; T59-I63 PolarHBondContact O-N 2.8Å; L60-I63 PolarHBondContact O-N 2.73Å; Q61-I63 PolarHBondContact O-N 2.62Å; I63-T65 PolarHBondContact O-N 2.82Å; I63-R66 PolarHBondContact O-N 3.26Å; I63-M67 WeakPolarHBondContact O-CB 3.29Å; I63-M67 PolarHBondContact O-N 3.29Å; I63-A548 HydrophobicContact CD1-CB 3.33Å; I63-F627 HydrophobicContact CG2-CD1 3.99Å; I63-F627 HydrophobicContact CG2-CE1 3.55Å; I63-F627 HydrophobicContact CG2-CZ 3.99Å; I63-P682 HydrophobicContact CB-CB 4.24Å; I63-P682 HydrophobicContact CG1-CB 4.33Å; I63-P682 WeakPolarHBondContact CG1-O 3.37Å; I63-P682 HydrophobicContact CG2-CB 3.92Å; I63-F683 HydrophobicContact CD1-CD1 3.55Å; I63-F683 HydrophobicContact CD1-CE1 3.78Å; I63-F683 HydrophobicContact CD1-CG 4.17Å; I63-F683 HydrophobicContact CG1-CD1 4.16Å; I63-F683 HydrophobicContact CG1-CE1 4.45Å; I63-F683 HydrophobicContact CG1-CG 4.31Å; I63-F683 HydrophobicContact CG2-CE1 4.27Å; I63-F683 HydrophobicContact CG2-CE2 4.22Å; I63-F683 HydrophobicContact CG2-CZ 4Å
64I98.5Very high97.6Very high7 Ų714.9 Ų14.94%0.0368%0.075CC..Hα-helixtrans-60.8-49.6-179-63160.3000110.1Y37 I39 L60 Q61 R66 M67 K68 V478 L508 Y625 F627Y37-I64 HydrophobicContact CD1-CG2 4.44Å; Y37-I64 HydrophobicContact CE1-CG2 3.44Å; Y37-I64 VanDerWaalsContact CE1-CG2 3.44Å; Y37-I64 WeakPolarHBondContact OH-CG2 3.49Å; I39-I64 HydrophobicContact CD1-CB 3.95Å; I39-I64 HydrophobicContact CD1-CD1 4.26Å; I39-I64 HydrophobicContact CD1-CG2 3.81Å; L60-I64 WeakPolarHBondContact O-CD1 3.11Å; L60-I64 WeakPolarHBondContact O-CG1 3.38Å; L60-I64 PolarHBondContact O-N 2.97Å; L60-I64 VanDerWaalsContact O-N 3.11Å; Q61-I64 PolarHBondContact O-N 3.4Å; I64-R66 PolarHBondContact O-N 2.98Å; I64-M67 PolarHBondContact O-N 3.45Å; I64-K68 HydrophobicContact CG2-CG 4.26Å; I64-K68 WeakPolarHBondContact O-CB 3.44Å; I64-K68 VanDerWaalsContact O-CG 3.3Å; I64-K68 WeakPolarHBondContact O-CG 3.28Å; I64-K68 PolarHBondContact O-N 3.34Å; I64-V478 HydrophobicContact CD1-CG2 3.83Å; I64-L508 HydrophobicContact CD1-CD2 4.07Å; I64-Y625 HydrophobicContact CD1-CD1 3.84Å; I64-Y625 HydrophobicContact CD1-CE1 3.7Å; I64-Y625 HydrophobicContact CG1-CD1 4.18Å; I64-Y625 HydrophobicContact CG1-CE1 4.08Å; I64-F627 HydrophobicContact CD1-CE2 4.42Å; I64-F627 HydrophobicContact CD1-CZ 4.28Å; I64-F627 HydrophobicContact CG1-CE2 4.26Å; I64-F627 HydrophobicContact CG1-CZ 3.66Å
65T98.2Very high97.7Very high1 Ų112.4 Ų12.41%0.0066%0.064CC..Hα-helixtrans-67-38.5-17755.70000112.8I39 Q61 D62 I63 R69 T75 Y77I39-T65 HydrophobicContact CB-CG2 4.02Å; I39-T65 HydrophobicContact CD1-CG2 3.78Å; I39-T65 HydrophobicContact CG1-CG2 3.9Å; Q61-T65 WeakPolarHBondContact O-CG2 3.39Å; Q61-T65 PolarHBondContact O-N 3.47Å; Q61-T65 PolarHBondContact O-OG1 3.44Å; D62-T65 WeakPolarHBondContact CA-OG1 3.39Å; D62-T65 PolarHBondContact O-OG1 2.88Å; I63-T65 PolarHBondContact O-N 2.82Å; T65-R69 VanDerWaalsContact O-CB 3.27Å; T65-R69 WeakPolarHBondContact O-CB 3.49Å; T65-R69 PolarHBondContact O-N 3.21Å; T65-T75 HydrophobicContact CG2-CG2 3.85Å; T65-Y77 HydrophobicContact CG2-CD1 4.28Å; T65-Y77 HydrophobicContact CG2-CD2 4.39Å; T65-Y77 HydrophobicContact CG2-CG 3.95Å
66R98.3Very high97.8Very high5 Ų512.3 Ų12.32%0.0196%0.064CC..Hα-helixtrans-62.8-46.4173.1-75176.6-178.3-84.8-2.7111.6D62 I63 I64 R69 M70 G134 H681 P682D62-R66 VanDerWaalsContact O-CB 3.27Å; D62-R66 WeakPolarHBondContact O-CB 3.43Å; D62-R66 WeakPolarHBondContact O-CG 3.46Å; D62-R66 PolarHBondContact O-N 3.12Å; D62-R66 IonicContact OD1-NE 3.93Å; D62-R66 PolarHBondContact OD1-NE 3.35Å; D62-R66 IonicContact OD2-CZ 3.37Å; D62-R66 IonicContact OD2-NE 2.68Å; D62-R66 PolarHBondContact OD2-NE 3.43Å; D62-R66 IonicContact OD2-NH2 2.65Å; I63-R66 PolarHBondContact O-N 3.26Å; I64-R66 PolarHBondContact O-N 2.98Å; R66-R69 PolarHBondContact O-N 3.16Å; R66-M70 VanDerWaalsContact O-CG 3.25Å; R66-M70 WeakPolarHBondContact O-CG 3.24Å; R66-M70 PolarHBondContact O-N 3.05Å; R66-G134 PolarHBondContact NH2-O 3.09Å; R66-H681 PolarHBondContact NH1-NE2 2.82Å; R66-P682 HydrophobicContact CB-CB 4.12Å; R66-P682 HydrophobicContact CB-CG 4.27Å
67M98Very high97.9Very high5 Ų512 Ų123%0.0256%0.063CC..Hα-helixtrans-61.6-48.7179-177.6171.617500111.6I63 I64 R69 M70 Q71 T619 S622 P682 W707I63-M67 WeakPolarHBondContact O-CB 3.29Å; I63-M67 PolarHBondContact O-N 3.29Å; I64-M67 PolarHBondContact O-N 3.45Å; M67-R69 VanDerWaalsContact C-N 3.33Å; M67-R69 PolarHBondContact O-N 3.19Å; M67-M70 PolarHBondContact O-N 2.97Å; M67-M70 VanDerWaalsContact O-N 3.16Å; M67-Q71 HydrophobicContact CG-CG 4.46Å; M67-Q71 WeakPolarHBondContact O-CG 3.44Å; M67-Q71 PolarHBondContact O-N 3.28Å; M67-T619 HydrophobicContact CE-CG2 4.15Å; M67-S622 WeakPolarHBondContact SD-CB 3.46Å; M67-P682 HydrophobicContact CB-CG 4.1Å; M67-W707 HydrophobicContact CB-CZ3 4.4Å; M67-W707 HydrophobicContact CE-CH2 4.14Å; M67-W707 HydrophobicContact CE-CZ2 3.58Å; M67-W707 HydrophobicContact CG-CD2 4.26Å; M67-W707 HydrophobicContact CG-CE3 4.02Å; M67-W707 HydrophobicContact CG-CH2 4.02Å; M67-W707 HydrophobicContact CG-CZ2 4.26Å; M67-W707 HydrophobicContact CG-CZ3 3.91Å; M67-W707 HydrophobicContact SD-CH2 4.03Å; M67-W707 HydrophobicContact SD-CZ2 4.09Å; M67-W707 HydrophobicContact SD-CZ3 4.5Å
68K98Very high97.9Very high21 Ų2111.5 Ų11.59%0.0916%0.06CC..Hα-helixtrans-63.4-38.2179.1-65.8-72.5164.4-155.90111.9Y37 I64 M70 Q71 G72 Y73 D623Y37-K68 HydrophobicContact CD1-CB 4.13Å; Y37-K68 HydrophobicContact CD1-CG 3.87Å; Y37-K68 HydrophobicContact CD2-CB 4.15Å; Y37-K68 HydrophobicContact CD2-CD 3.54Å; Y37-K68 HydrophobicContact CD2-CG 3.6Å; Y37-K68 HydrophobicContact CE1-CG 3.97Å; Y37-K68 HydrophobicContact CE2-CD 3.57Å; Y37-K68 HydrophobicContact CE2-CG 3.7Å; Y37-K68 HydrophobicContact CG-CB 3.82Å; Y37-K68 HydrophobicContact CG-CD 4.13Å; Y37-K68 HydrophobicContact CG-CG 3.68Å; I64-K68 HydrophobicContact CG2-CG 4.26Å; I64-K68 WeakPolarHBondContact O-CB 3.44Å; I64-K68 VanDerWaalsContact O-CG 3.3Å; I64-K68 WeakPolarHBondContact O-CG 3.28Å; I64-K68 PolarHBondContact O-N 3.34Å; K68-M70 PolarHBondContact O-N 3.03Å; K68-Q71 CarbonylContact O-C 3.52Å; K68-Q71 PolarHBondContact O-N 3.31Å; K68-G72 PolarHBondContact O-N 3.4Å; K68-Y73 HydrophobicContact CB-CD2 4.11Å; K68-Y73 HydrophobicContact CB-CG 4.3Å; K68-Y73 HydrophobicContact CD-CD2 3.95Å; K68-Y73 HydrophobicContact CD-CE2 3.87Å; K68-Y73 WeakPolarHBondContact O-CB 3.31Å; K68-Y73 VanDerWaalsContact O-CD2 3.3Å; K68-Y73 WeakPolarHBondContact O-CD2 3.48Å; K68-Y73 PolarHBondContact O-N 3.19Å; K68-D623 IonicContact NZ-OD1 3.18Å; K68-D623 PolarHBondContact NZ-OD1 3.43Å
69R97.5Very high97.9Very high36 Ų3611.3 Ų11.314%0.1366%0.059CC..Hα-helixtrans-58.6-47.4172.7-175.6-177-58.7-101.1-9.5111.5Y25 F26 K27 T65 R66 M67 Q71 G72 T75 V703Y25-R69 PolarHBondContact O-NH1 2.71Å; F26-R69 VanDerWaalsContact C-NH1 3.33Å; F26-R69 PolarHBondContact O-NH1 2.74Å; F26-R69 PolarHBondContact O-NH2 2.87Å; K27-R69 PolarHBondContact O-NH1 2.81Å; T65-R69 VanDerWaalsContact O-CB 3.27Å; T65-R69 WeakPolarHBondContact O-CB 3.49Å; T65-R69 PolarHBondContact O-N 3.21Å; R66-R69 PolarHBondContact O-N 3.16Å; M67-R69 VanDerWaalsContact C-N 3.33Å; M67-R69 PolarHBondContact O-N 3.19Å; R69-Q71 VanDerWaalsContact C-N 3.3Å; R69-Q71 PolarHBondContact O-N 2.82Å; R69-G72 PolarHBondContact O-N 3.2Å; R69-G72 VanDerWaalsContact O-N 3.08Å; R69-T75 VanDerWaalsContact CA-OG1 3.32Å; R69-T75 WeakPolarHBondContact CA-OG1 3.31Å; R69-T75 PolarHBondContact N-OG1 2.87Å; R69-V703 WeakPolarHBondContact CD-O 3.46Å
70M97.7Very high97.8Very high5 Ų511.3 Ų11.33%0.0256%0.059CC..Hα-helixtrans-66.7-32.1177.9-64.8178.873.200111.8R66 M67 K68 G72 R678 H681 A705 S706 W707R66-M70 VanDerWaalsContact O-CG 3.25Å; R66-M70 WeakPolarHBondContact O-CG 3.24Å; R66-M70 PolarHBondContact O-N 3.05Å; M67-M70 PolarHBondContact O-N 2.97Å; M67-M70 VanDerWaalsContact O-N 3.16Å; K68-M70 PolarHBondContact O-N 3.03Å; M70-G72 PolarHBondContact O-N 3.01Å; M70-R678 HydrophobicContact CE-CB 3.72Å; M70-R678 HydrophobicContact CE-CG 3.92Å; M70-H681 HydrophobicContact SD-CB 4.32Å; M70-A705 WeakPolarHBondContact CA-O 3.24Å; M70-A705 WeakPolarHBondContact CB-O 3.15Å; M70-A705 HydrophobicContact CE-CB 4.44Å; M70-A705 WeakPolarHBondContact CE-O 3.24Å; M70-A705 VanDerWaalsContact CG-O 3.26Å; M70-A705 WeakPolarHBondContact CG-O 3.33Å; M70-S706 CarbonylContact O-C 3.41Å; M70-S706 WeakPolarHBondContact O-CA 3.32Å; M70-W707 HydrophobicContact CB-CB 4.05Å; M70-W707 HydrophobicContact CB-CE3 4.19Å; M70-W707 HydrophobicContact CE-CE3 4.47Å; M70-W707 PolarHBondContact O-N 3.08Å; M70-W707 HydrophobicContact SD-CE3 4.3Å
71Q97.4Very high97.7Very high52 Ų5211 Ų1124%0.2436%0.057CC..THydrogen-bonded Turntrans-72.2-1.5172.8-71.3178.1-28.800113.7M67 K68 R69 Y73 W707M67-Q71 HydrophobicContact CG-CG 4.46Å; M67-Q71 WeakPolarHBondContact O-CG 3.44Å; M67-Q71 PolarHBondContact O-N 3.28Å; K68-Q71 CarbonylContact O-C 3.52Å; K68-Q71 PolarHBondContact O-N 3.31Å; R69-Q71 VanDerWaalsContact C-N 3.3Å; R69-Q71 PolarHBondContact O-N 2.82Å; Q71-Y73 HydrophobicContact CB-CD2 4.01Å; Q71-Y73 HydrophobicContact CB-CE2 4.12Å; Q71-W707 HydrophobicContact CB-CB 4.43Å; Q71-W707 HydrophobicContact CG-CB 3.69Å; Q71-W707 HydrophobicContact CG-CD2 4.38Å; Q71-W707 HydrophobicContact CG-CG 3.73Å
72G96.3Very high97.6Very high35 Ų3511.3 Ų11.336%0.3616%0.058SC..THydrogen-bonded Turntrans97.18.2173.400000115.4K34 K68 R69 M70K34-G72 WeakPolarHBondContact CD-O 3.42Å; K68-G72 PolarHBondContact O-N 3.4Å; R69-G72 PolarHBondContact O-N 3.2Å; R69-G72 VanDerWaalsContact O-N 3.08Å; M70-G72 PolarHBondContact O-N 3.01Å
73Y97.5Very high97.4Very high62 Ų6211.3 Ų11.324%0.2436%0.058CC..  trans-72.7151.9174.3-69.6-99.9000111.9E35 Y37 K68 Q71 T75E35-Y73 HydrophobicContact CB-CD1 3.93Å; E35-Y73 HydrophobicContact CB-CE1 3.94Å; E35-Y73 HydrophobicContact CG-CD1 4.07Å; E35-Y73 HydrophobicContact CG-CE1 3.82Å; E35-Y73 CarbonylContact O-C 3.44Å; E35-Y73 WeakPolarHBondContact O-CA 3.41Å; E35-Y73 WeakPolarHBondContact OE2-CE1 3.41Å; Y37-Y73 HydrophobicContact CD2-CD1 4.35Å; K68-Y73 HydrophobicContact CB-CD2 4.11Å; K68-Y73 HydrophobicContact CB-CG 4.3Å; K68-Y73 HydrophobicContact CD-CD2 3.95Å; K68-Y73 HydrophobicContact CD-CE2 3.87Å; K68-Y73 WeakPolarHBondContact O-CB 3.31Å; K68-Y73 VanDerWaalsContact O-CD2 3.3Å; K68-Y73 WeakPolarHBondContact O-CD2 3.48Å; K68-Y73 PolarHBondContact O-N 3.19Å; Q71-Y73 HydrophobicContact CB-CD2 4.01Å; Q71-Y73 HydrophobicContact CB-CE2 4.12Å; Y73-T75 PolarHBondContact O-N 3.25Å; Y73-T75 PolarHBondContact O-OG1 3.46Å
74D97.2Very high97Very high0 Ų011.5 Ų11.50%06%0.06CC..EExtended strand (participates in β ladder)trans-81.290.5165.4-165.929.9000109.7P28 S29 E30 K34 E35 T36 Y37 R470 Y471P28-D74 WeakPolarHBondContact CA-OD1 3.29Å; P28-D74 WeakPolarHBondContact CB-OD1 3.4Å; S29-D74 WeakPolarHBondContact CA-OD1 3.46Å; S29-D74 WeakPolarHBondContact CB-OD1 3.24Å; S29-D74 PolarHBondContact N-OD1 2.71Å; S29-D74 PolarHBondContact OG-OD1 3.01Å; E30-D74 PolarHBondContact N-OD1 3.04Å; E30-D74 PolarHBondContact N-OD2 3.18Å; K34-D74 HydrophobicContact CB-CB 4.06Å; E35-D74 PolarHBondContact O-N 3.47Å; T36-D74 WeakPolarHBondContact CA-O 3.41Å; T36-D74 HydrophobicContact CG2-CB 4.32Å; Y37-D74 PolarHBondContact N-O 3.41Å; D74-R470 IonicContact OD2-CZ 2.67Å; D74-R470 VanDerWaalsContact OD2-CZ 3.29Å; D74-R470 IonicContact OD2-NE 2.81Å; D74-R470 PolarHBondContact OD2-NE 2.99Å; D74-R470 IonicContact OD2-NH2 3.68Å; D74-R470 PolarHBondContact OD2-NH2 2.87Å; D74-Y471 PolarHBondContact OD2-OH 3.37Å
75T97.8Very high96.5Very high1 Ų111.2 Ų11.21%0.0066%0.059CC..EExtended strand (participates in β ladder)trans-88.5128.8-169.2-480000112.8Y37 T65 R69 Y73Y37-T75 CarbonylContact O-C 3.59Å; Y37-T75 VanDerWaalsContact O-CA 3.26Å; Y37-T75 WeakPolarHBondContact O-CA 3.48Å; Y37-T75 WeakPolarHBondContact O-CG2 3.34Å; T65-T75 HydrophobicContact CG2-CG2 3.85Å; R69-T75 VanDerWaalsContact CA-OG1 3.32Å; R69-T75 WeakPolarHBondContact CA-OG1 3.31Å; R69-T75 PolarHBondContact N-OG1 2.87Å; Y73-T75 PolarHBondContact O-N 3.25Å; Y73-T75 PolarHBondContact O-OG1 3.46Å
76L98Very high95.9Very high0 Ų012 Ų120%06%0.063CC..EExtended strand (participates in β ladder)trans-114.2114.5169.2173.758000109.5P28 Y37 T38 I39 L78 D138 L458 Y471P28-L76 HydrophobicContact CG-CB 4.1Å; P28-L76 HydrophobicContact CG-CD1 3.95Å; Y37-L76 PolarHBondContact O-N 3.4Å; T38-L76 WeakPolarHBondContact CA-O 3.48Å; T38-L76 HydrophobicContact CG2-CB 4.18Å; T38-L76 HydrophobicContact CG2-CD2 4.05Å; T38-L76 HydrophobicContact CG2-CG 4.16Å; I39-L76 PolarHBondContact N-O 2.94Å; L76-L78 HydrophobicContact CD1-CB 4.31Å; L76-L78 HydrophobicContact CD2-CD1 4.44Å; L76-L78 HydrophobicContact CG-CB 4.3Å; L76-D138 HydrophobicContact CD1-CB 4.21Å; L76-L458 HydrophobicContact CD2-CD2 3.7Å; L76-Y471 HydrophobicContact CB-CD1 3.83Å; L76-Y471 HydrophobicContact CB-CE1 3.86Å; L76-Y471 HydrophobicContact CB-CG 4.3Å; L76-Y471 HydrophobicContact CD2-CD1 4.02Å; L76-Y471 HydrophobicContact CD2-CD2 3.6Å; L76-Y471 HydrophobicContact CD2-CE1 4.43Å; L76-Y471 HydrophobicContact CD2-CE2 4.05Å; L76-Y471 HydrophobicContact CD2-CG 3.59Å
77Y98.1Very high95.3Very high0 Ų012.5 Ų12.50%07%0.068CC..EExtended strand (participates in β ladder)trans-108.798168.9-168.2-170.4000108.8I39 I41 T58 Q61 D62 T65 P79 L137 D138I39-Y77 HydrophobicContact CB-CD2 4.28Å; I39-Y77 HydrophobicContact CG2-CD2 4.27Å; I39-Y77 HydrophobicContact CG2-CE2 4.2Å; I39-Y77 WeakPolarHBondContact O-CA 3.3Å; I41-Y77 HydrophobicContact CD1-CE2 3.98Å; I41-Y77 HydrophobicContact CG1-CD2 4.16Å; I41-Y77 HydrophobicContact CG1-CE2 3.28Å; T58-Y77 PolarHBondContact O-OH 3.48Å; Q61-Y77 HydrophobicContact CB-CE1 4.3Å; Q61-Y77 HydrophobicContact CB-CE2 3.79Å; Q61-Y77 WeakPolarHBondContact CB-OH 3.49Å; Q61-Y77 VanDerWaalsContact OE1-CE2 3.31Å; Q61-Y77 PolarHBondContact OE1-OH 3.05Å; D62-Y77 HydrophobicContact CB-CE1 3.95Å; T65-Y77 HydrophobicContact CG2-CD1 4.28Å; T65-Y77 HydrophobicContact CG2-CD2 4.39Å; T65-Y77 HydrophobicContact CG2-CG 3.95Å; Y77-P79 WeakPolarHBondContact O-CD 3.26Å; Y77-L137 HydrophobicContact CD1-CD2 3.54Å; Y77-L137 HydrophobicContact CD2-CD2 4.11Å; Y77-L137 HydrophobicContact CE1-CD2 3.44Å; Y77-L137 VanDerWaalsContact CE1-CD2 3.44Å; Y77-L137 HydrophobicContact CE2-CD2 4.03Å; Y77-L137 HydrophobicContact CG-CD2 3.86Å; Y77-D138 PolarHBondContact O-N 2.98Å; Y77-D138 VanDerWaalsContact O-N 3.12Å
78L97.7Very high94.9Very high0 Ų012.2 Ų12.20%07%0.067CC..EExtended strand (participates in β ladder)trans-90.9117-169.1-171.2151.3000110.7I39 V40 I41 L76 R141 R143 T457 L458I39-L78 PolarHBondContact O-N 2.85Å; V40-L78 HydrophobicContact CG1-CB 4.19Å; I41-L78 PolarHBondContact N-O 3.43Å; L76-L78 HydrophobicContact CD1-CB 4.31Å; L76-L78 HydrophobicContact CD2-CD1 4.44Å; L76-L78 HydrophobicContact CG-CB 4.3Å; L78-R141 HydrophobicContact CD1-CB 4.18Å; L78-R141 HydrophobicContact CG-CB 4.31Å; L78-R143 HydrophobicContact CD2-CG 4.23Å; L78-T457 HydrophobicContact CD2-CG2 3.85Å; L78-L458 HydrophobicContact CD1-CD2 3.88Å
79P97.6Very high94.6Very high0 Ų011.3 Ų11.30%06%0.063CC..  trans-84.2154.3174.934.2-33.2000111.8I41 Y77 W130 L137 D138 Y139 E142 R143I41-P79 HydrophobicContact CD1-CB 4.32Å; Y77-P79 WeakPolarHBondContact O-CD 3.26Å; P79-W130 HydrophobicContact CB-CH2 4.33Å; P79-W130 HydrophobicContact CB-CZ3 4.08Å; P79-L137 HydrophobicContact CB-CB 4.25Å; P79-L137 HydrophobicContact CB-CD1 4.05Å; P79-L137 HydrophobicContact CB-CD2 4.26Å; P79-L137 HydrophobicContact CB-CG 4.39Å; P79-L137 HydrophobicContact CG-CB 4.11Å; P79-D138 VanDerWaalsContact CD-O 3.27Å; P79-D138 WeakPolarHBondContact CD-O 3.09Å; P79-Y139 HydrophobicContact CG-CD1 4.49Å; P79-E142 HydrophobicContact CB-CG 4.44Å; P79-E142 HydrophobicContact CG-CB 4.04Å; P79-E142 HydrophobicContact CG-CG 4.17Å; P79-E142 VanDerWaalsContact O-CA 3.31Å; P79-E142 WeakPolarHBondContact O-CA 3.45Å; P79-R143 PolarHBondContact O-N 3.35Å; P79-R143 VanDerWaalsContact O-N 3.08Å
80G96.4Very high94.1Very high0 Ų011.9 Ų11.90%08%0.075CC..EExtended strand (participates in β ladder)trans-175.4175.7165.600000111.9P43 P44 W130 R143P43-G80 WeakPolarHBondContact CA-O 3.41Å; P44-G80 VanDerWaalsContact CD-O 3.31Å; P44-G80 WeakPolarHBondContact CD-O 3.44Å; G80-W130 WeakPolarHBondContact O-CH2 3.34Å; G80-R143 CarbonylContact C-O 3.56Å; G80-R143 WeakPolarHBondContact CA-O 3.41Å
81M96.4Very high93.7Very high2 Ų216.7 Ų16.71%0.0110%0.096CC..EExtended strand (participates in β ladder)trans-133.3153.5-174-57.6177.4-166.300111.3V46 A123 I126 R127 W130 E142 R143 F144 T145V46-M81 HydrophobicContact CG1-CB 3.97Å; V46-M81 HydrophobicContact CG1-SD 4.18Å; M81-A123 HydrophobicContact CE-CB 3.89Å; M81-A123 HydrophobicContact SD-CB 3.55Å; M81-A123 VanDerWaalsContact SD-CB 3.55Å; M81-I126 HydrophobicContact CE-CB 3.91Å; M81-I126 HydrophobicContact CE-CG2 3.71Å; M81-I126 HydrophobicContact SD-CB 4.39Å; M81-I126 HydrophobicContact SD-CD1 4.04Å; M81-I126 HydrophobicContact SD-CG2 4.33Å; M81-R127 HydrophobicContact CE-CG 3.81Å; M81-W130 HydrophobicContact CE-CE3 4.5Å; M81-W130 HydrophobicContact CE-CH2 3.8Å; M81-W130 HydrophobicContact CE-CZ3 3.62Å; M81-W130 HydrophobicContact CG-CH2 3.87Å; M81-E142 WeakPolarHBondContact CE-OE1 3.33Å; M81-R143 PolarHBondContact N-O 3.14Å; M81-F144 HydrophobicContact CB-CD2 4.09Å; M81-F144 WeakPolarHBondContact O-CA 3.5Å; M81-F144 VanDerWaalsContact O-CD2 3.28Å; M81-F144 WeakPolarHBondContact O-CD2 3.18Å; M81-T145 PolarHBondContact O-N 3.01Å; M81-T145 VanDerWaalsContact O-N 3.16Å
82D95.5Very high93.4Very high5 Ų514.5 Ų14.53%0.0279%0.086CC..BIsolated β-bridgetrans-104.5131.6179.5-163.4-18.3000109.9P43 P44 V46 A84 T145 T446 S450P43-D82 HydrophobicContact CB-CB 3.99Å; P43-D82 HydrophobicContact CG-CB 4.09Å; P43-D82 WeakPolarHBondContact O-CB 3.23Å; P44-D82 PolarHBondContact O-N 3.07Å; V46-D82 WeakPolarHBondContact CG2-O 3.21Å; V46-D82 PolarHBondContact N-O 3.45Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-A84 PolarHBondContact OD1-N 3.26Å; D82-T145 HydrophobicContact CB-CG2 4.18Å; D82-T145 PolarHBondContact OD1-OG1 3.39Å; D82-T446 WeakPolarHBondContact OD1-CG2 3.36Å; D82-T446 WeakPolarHBondContact OD2-CG2 3.44Å; D82-S450 PolarHBondContact OD2-OG 3.37Å
83H94.6Very high93.1Very high0 Ų014.6 Ų14.60%08%0.077CC..  trans-59-25.8172.176.4-62.8000113G85 T88 F144 T145 L146 W409 T446 S449H83-G85 PolarHBondContact CD2-N 3.27Å; H83-G85 VanDerWaalsContact CD2-N 3.3Å; H83-G85 PolarHBondContact O-N 3.18Å; H83-G85 VanDerWaalsContact O-N 3.09Å; H83-T88 VanDerWaalsContact O-CB 3.23Å; H83-T88 WeakPolarHBondContact O-CB 3.48Å; H83-T88 PolarHBondContact O-OG1 3.47Å; H83-F144 HydrophobicContact CB-CE1 4.43Å; H83-F144 HydrophobicContact CB-CE2 3.94Å; H83-F144 HydrophobicContact CB-CZ 3.57Å; H83-T145 WeakPolarHBondContact CB-OG1 3.49Å; H83-T145 PolarHBondContact N-OG1 2.91Å; H83-T145 PolarHBondContact ND1-OG1 2.91Å; H83-L146 HydrophobicContact CB-CD1 3.45Å; H83-L146 VanDerWaalsContact CB-CD1 3.45Å; H83-L146 HydrophobicContact CB-CG 3.69Å; H83-W409 HydrophobicContact CB-CZ2 4.23Å; H83-W409 AromaticContact CD2-NE1 3.97Å; H83-W409 PolarHBondContact O-NE1 3.11Å; H83-T446 PolarHBondContact NE2-OG1 2.9Å; H83-S449 PolarHBondContact CE1-OG 3.4Å
84A90.3Very high92.7Very high4 Ų413.8 Ų13.83%0.0338%0.084CC..  trans54.227.8174.800000115.5N45 T47 D82 I86 A87 T88N45-A84 HydrophobicContact CB-CB 3.52Å; N45-A84 VanDerWaalsContact CG-CB 3.41Å; N45-A84 WeakPolarHBondContact OD1-CB 3.42Å; T47-A84 HydrophobicContact CG2-CB 3.99Å; D82-A84 PolarHBondContact O-N 3.09Å; D82-A84 PolarHBondContact OD1-N 3.26Å; A84-I86 PolarHBondContact O-N 2.86Å; A84-A87 HydrophobicContact CB-CB 4.26Å; A84-A87 WeakPolarHBondContact O-CA 3.49Å; A84-A87 WeakPolarHBondContact O-CB 3.23Å; A84-A87 PolarHBondContact O-N 3.3Å; A84-T88 PolarHBondContact O-N 3.4Å
85G88.7Confident92.4Very high2 Ų217.7 Ų17.72%0.02110%0.1CC..Hα-helixtrans22.4-98.7171.100000115.2H83 A87 T88 Q89 T446H83-G85 PolarHBondContact CD2-N 3.27Å; H83-G85 VanDerWaalsContact CD2-N 3.3Å; H83-G85 PolarHBondContact O-N 3.18Å; H83-G85 VanDerWaalsContact O-N 3.09Å; G85-A87 VanDerWaalsContact C-N 3.33Å; G85-A87 PolarHBondContact O-N 2.91Å; G85-T88 PolarHBondContact O-N 3.24Å; G85-Q89 WeakPolarHBondContact O-CB 3.33Å; G85-Q89 PolarHBondContact O-N 2.7Å; G85-T446 VanDerWaalsContact CA-OG1 3.26Å; G85-T446 WeakPolarHBondContact CA-OG1 3.46Å; G85-T446 PolarHBondContact N-OG1 3.05Å
86I84.9Confident92.1Very high17 Ų1717.9 Ų17.99%0.08710%0.102CC..Hα-helixtrans-57.2-40.2-177.4-164.8169.5000113.5A84 A90 T182 L184 L407A84-I86 PolarHBondContact O-N 2.86Å; I86-A90 VanDerWaalsContact O-CB 3.23Å; I86-A90 WeakPolarHBondContact O-CB 3.35Å; I86-A90 PolarHBondContact O-N 3.36Å; I86-T182 HydrophobicContact CD1-CG2 3.63Å; I86-T182 HydrophobicContact CG1-CG2 4.42Å; I86-L184 HydrophobicContact CD1-CD2 3.92Å; I86-L407 HydrophobicContact CB-CD1 3.69Å; I86-L407 HydrophobicContact CG1-CD1 4.23Å; I86-L407 HydrophobicContact CG1-CD2 4.26Å
87A84.8Confident91.7Very high15 Ų1522.2 Ų22.212%0.12413%0.125CC..Hα-helixtrans-73.2-41.2-175.200000111.3T47 A84 G85 K91T47-A87 HydrophobicContact CG2-CB 3.71Å; A84-A87 HydrophobicContact CB-CB 4.26Å; A84-A87 WeakPolarHBondContact O-CA 3.49Å; A84-A87 WeakPolarHBondContact O-CB 3.23Å; A84-A87 PolarHBondContact O-N 3.3Å; G85-A87 VanDerWaalsContact C-N 3.33Å; G85-A87 PolarHBondContact O-N 2.91Å; A87-K91 VanDerWaalsContact O-CG 3.32Å; A87-K91 WeakPolarHBondContact O-CG 3.34Å; A87-K91 PolarHBondContact O-N 2.88Å
88T90.4Very high91.4Very high0 Ų030.3 Ų30.30%016%0.163CC..Hα-helixtrans-68.2-47175-61.20000110.6V46 T47 H83 A84 G85 A90 K91 V92V46-T88 HydrophobicContact CG2-CG2 4.22Å; T47-T88 WeakPolarHBondContact CG2-OG1 3.36Å; H83-T88 VanDerWaalsContact O-CB 3.23Å; H83-T88 WeakPolarHBondContact O-CB 3.48Å; H83-T88 PolarHBondContact O-OG1 3.47Å; A84-T88 PolarHBondContact O-N 3.4Å; G85-T88 PolarHBondContact O-N 3.24Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.07Å; T88-K91 PolarHBondContact O-N 3.47Å; T88-V92 HydrophobicContact CG2-CG2 4.24Å; T88-V92 WeakPolarHBondContact O-CG2 3.49Å; T88-V92 PolarHBondContact O-N 2.89Å
89Q91.1Very high91.1Very high1 Ų136 Ų361%0.00519%0.189CC..Hα-helixtrans-56.2-46.8176.5175.4146.9-2000111.7G85 K91 V92 E93 F111 L407 W409G85-Q89 WeakPolarHBondContact O-CB 3.33Å; G85-Q89 PolarHBondContact O-N 2.7Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 3.35Å; Q89-V92 PolarHBondContact O-N 3.18Å; Q89-E93 HydrophobicContact CG-CG 4.39Å; Q89-E93 WeakPolarHBondContact O-CB 3.41Å; Q89-E93 WeakPolarHBondContact O-CG 3.4Å; Q89-E93 PolarHBondContact O-N 2.96Å; Q89-F111 HydrophobicContact CB-CZ 4.34Å; Q89-F111 HydrophobicContact CG-CE1 4.21Å; Q89-F111 HydrophobicContact CG-CZ 3.74Å; Q89-L407 HydrophobicContact CG-CD2 4.25Å; Q89-W409 HydrophobicContact CB-CB 4.25Å
90A87.8Confident90.8Very high48 Ų4839.1 Ų39.140%0.39722%0.221SC..Hα-helixtrans-60.4-35.3177.400000113I86 T88 A94I86-A90 VanDerWaalsContact O-CB 3.23Å; I86-A90 WeakPolarHBondContact O-CB 3.35Å; I86-A90 PolarHBondContact O-N 3.36Å; T88-A90 VanDerWaalsContact C-N 3.33Å; T88-A90 PolarHBondContact O-N 3.07Å; A90-A94 WeakPolarHBondContact O-CB 3.34Å; A90-A94 PolarHBondContact O-N 3.35Å
91K88.3Confident90.6Very high107 Ų10741.9 Ų41.947%0.46524%0.235SC..Hα-helixtrans-72.7-43.2176.5-71.6-66.2-177.2-1690112.8A87 T88 Q89 A94 K95 W118A87-K91 VanDerWaalsContact O-CG 3.32Å; A87-K91 WeakPolarHBondContact O-CG 3.34Å; A87-K91 PolarHBondContact O-N 2.88Å; T88-K91 PolarHBondContact O-N 3.47Å; Q89-K91 VanDerWaalsContact C-N 3.27Å; Q89-K91 PolarHBondContact O-N 3.35Å; K91-A94 PolarHBondContact O-N 3.28Å; K91-K95 PolarHBondContact O-N 3.3Å; K91-W118 HydrophobicContact CB-CH2 3.75Å; K91-W118 HydrophobicContact CB-CZ2 3.49Å; K91-W118 VanDerWaalsContact CB-CZ2 3.49Å; K91-W118 HydrophobicContact CB-CZ3 4.49Å; K91-W118 HydrophobicContact CG-CZ2 4.14Å
92V91.5Very high90.3Very high5 Ų544 Ų443%0.0325%0.249CC..Hα-helixtrans-62.4-46.3175.8175.70000109.9T88 Q89 A94 K95 L96 F111 Q114 A115 W118T88-V92 HydrophobicContact CG2-CG2 4.24Å; T88-V92 WeakPolarHBondContact O-CG2 3.49Å; T88-V92 PolarHBondContact O-N 2.89Å; Q89-V92 PolarHBondContact O-N 3.18Å; V92-A94 PolarHBondContact O-N 3.03Å; V92-K95 PolarHBondContact O-N 2.98Å; V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CG 4.44Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 3.36Å; V92-F111 HydrophobicContact CB-CE2 4.35Å; V92-F111 HydrophobicContact CB-CZ 4.34Å; V92-F111 HydrophobicContact CG1-CD2 4.45Å; V92-F111 HydrophobicContact CG1-CE2 3.76Å; V92-F111 HydrophobicContact CG1-CZ 4.1Å; V92-Q114 HydrophobicContact CG1-CB 4.19Å; V92-A115 HydrophobicContact CG2-CB 4.43Å; V92-W118 HydrophobicContact CG2-CB 3.83Å; V92-W118 HydrophobicContact CG2-CD2 3.86Å; V92-W118 HydrophobicContact CG2-CE3 4.13Å; V92-W118 HydrophobicContact CG2-CG 3.71Å
93E90.9Very high89.9Confident37 Ų3744.4 Ų44.417%0.17325%0.25CC..Hα-helixtrans-61.8-40.6175.5-74-173.1147.500112.7Q89 K95 L96 N97 R103 F111Q89-E93 HydrophobicContact CG-CG 4.39Å; Q89-E93 WeakPolarHBondContact O-CB 3.41Å; Q89-E93 WeakPolarHBondContact O-CG 3.4Å; Q89-E93 PolarHBondContact O-N 2.96Å; E93-K95 VanDerWaalsContact C-N 3.33Å; E93-K95 PolarHBondContact O-N 3.47Å; E93-L96 PolarHBondContact O-N 2.92Å; E93-N97 VanDerWaalsContact O-CB 3.29Å; E93-N97 WeakPolarHBondContact O-CB 3.49Å; E93-N97 PolarHBondContact O-N 3Å; E93-N97 PolarHBondContact O-ND2 3.33Å; E93-N97 VanDerWaalsContact O-ND2 3.13Å; E93-R103 HydrophobicContact CG-CB 4.5Å; E93-R103 WeakPolarHBondContact OE1-CD 3.38Å; E93-R103 WeakPolarHBondContact OE1-CG 3.42Å; E93-R103 IonicContact OE1-CZ 3.77Å; E93-R103 IonicContact OE1-NE 3.43Å; E93-R103 PolarHBondContact OE1-NE 3.39Å; E93-R103 IonicContact OE1-NH1 3.02Å; E93-R103 PolarHBondContact OE1-NH1 2.84Å; E93-R103 IonicContact OE2-NH1 3.45Å; E93-F111 HydrophobicContact CG-CE2 3.83Å; E93-F111 HydrophobicContact CG-CZ 4.28Å
94A88.9Confident89.7Confident46 Ų4650 Ų5038%0.3827%0.272SS..Hα-helixtrans-59.1-44.9174.600000111.6A90 K91 V92 L96 N97 E98A90-A94 WeakPolarHBondContact O-CB 3.34Å; A90-A94 PolarHBondContact O-N 3.35Å; K91-A94 PolarHBondContact O-N 3.28Å; V92-A94 PolarHBondContact O-N 3.03Å; A94-L96 PolarHBondContact O-N 3.02Å; A94-N97 PolarHBondContact O-N 3.42Å; A94-E98 WeakPolarHBondContact O-CG 3.33Å; A94-E98 PolarHBondContact O-N 3.38Å; A94-E98 VanDerWaalsContact O-N 3.1Å
95K90.2Very high89.7Confident81 Ų8155.2 Ų55.235%0.35230%0.299SS..Hα-helixtrans-63.6-38.2175.9-178.9175.7175.4-178.30112.4K91 V92 E93 W118 E121K91-K95 PolarHBondContact O-N 3.3Å; V92-K95 PolarHBondContact O-N 2.98Å; E93-K95 VanDerWaalsContact C-N 3.33Å; E93-K95 PolarHBondContact O-N 3.47Å; K95-W118 HydrophobicContact CB-CZ3 4.12Å; K95-W118 HydrophobicContact CD-CE3 3.86Å; K95-W118 HydrophobicContact CD-CZ3 3.66Å; K95-E121 IonicContact NZ-OE2 2.62Å
96L91.5Very high89.8Confident6 Ų657.3 Ų57.33%0.03131%0.31CS..Hα-helixtrans-70-40.3176.3-68.9173.1000111.9V92 E93 A94 E98 Q99 G100 I101 L106 F111 Q114V92-L96 HydrophobicContact CG1-CD1 4.04Å; V92-L96 HydrophobicContact CG1-CG 4.44Å; V92-L96 WeakPolarHBondContact O-CG 3.46Å; V92-L96 PolarHBondContact O-N 3.36Å; E93-L96 PolarHBondContact O-N 2.92Å; A94-L96 PolarHBondContact O-N 3.02Å; L96-E98 VanDerWaalsContact C-N 3.29Å; L96-E98 PolarHBondContact O-N 2.89Å; L96-Q99 CarbonylContact O-C 3.45Å; L96-Q99 WeakPolarHBondContact O-CA 3.41Å; L96-Q99 VanDerWaalsContact O-CB 3.32Å; L96-Q99 WeakPolarHBondContact O-CB 3.42Å; L96-Q99 PolarHBondContact O-N 3.2Å; L96-G100 PolarHBondContact O-N 3.02Å; L96-I101 CarbonylContact C-O 3.21Å; L96-I101 WeakPolarHBondContact CB-O 3.42Å; L96-I101 PolarHBondContact O-N 3.08Å; L96-I101 VanDerWaalsContact O-N 3.13Å; L96-I101 VanDerWaalsContact O-O 3.1Å; L96-L106 HydrophobicContact CD1-CD1 3.74Å; L96-L106 HydrophobicContact CD2-CD1 3.98Å; L96-F111 HydrophobicContact CD1-CD2 3.9Å; L96-F111 HydrophobicContact CD1-CE2 4.05Å; L96-Q114 HydrophobicContact CD2-CG 4.43Å
97N89.9Confident90.1Very high91 Ų9157.9 Ų57.949%0.48732%0.32SS..Hα-helixtrans-64.3-32.6177.7-73.2-29.4000112.1E93 A94 Q99 G100 I101E93-N97 VanDerWaalsContact O-CB 3.29Å; E93-N97 WeakPolarHBondContact O-CB 3.49Å; E93-N97 PolarHBondContact O-N 3Å; E93-N97 PolarHBondContact O-ND2 3.33Å; E93-N97 VanDerWaalsContact O-ND2 3.13Å; A94-N97 PolarHBondContact O-N 3.42Å; N97-Q99 PolarHBondContact O-N 3.25Å; N97-G100 PolarHBondContact O-N 3.48Å; N97-I101 PolarHBondContact N-O 3.36Å; N97-I101 PolarHBondContact OD1-O 3.08Å
98E92Very high90.5Very high170 Ų17060 Ų6079%0.79432%0.324SS*.THydrogen-bonded Turntrans-59.8-25.3170.3-72.9173.5-171.400112.5A94 L96A94-E98 WeakPolarHBondContact O-CG 3.33Å; A94-E98 PolarHBondContact O-N 3.38Å; A94-E98 VanDerWaalsContact O-N 3.1Å; L96-E98 VanDerWaalsContact C-N 3.29Å; L96-E98 PolarHBondContact O-N 2.89Å
99Q91.1Very high90.6Very high120 Ų12067 Ų6756%0.56136%0.357SS*.THydrogen-bonded Turntrans-93.20.6174.6-54.4173.816.100112.6L96 N97 I101L96-Q99 CarbonylContact O-C 3.45Å; L96-Q99 WeakPolarHBondContact O-CA 3.41Å; L96-Q99 VanDerWaalsContact O-CB 3.32Å; L96-Q99 WeakPolarHBondContact O-CB 3.42Å; L96-Q99 PolarHBondContact O-N 3.2Å; N97-Q99 PolarHBondContact O-N 3.25Å; Q99-I101 VanDerWaalsContact C-N 3.32Å
100G91.2Very high90.7Very high65 Ų6572.8 Ų72.867%0.6738%0.382SS*.THydrogen-bonded Turntrans7319.4-177.600000114.4L96 N97L96-G100 PolarHBondContact O-N 3.02Å; N97-G100 PolarHBondContact O-N 3.48Å
101I92.4Very high91.1Very high57 Ų5770.5 Ų70.529%0.29236%0.363SS..  trans-113.6134.3-179.9-55.9174.4000108.6L96 N97 Q99 D105 L106L96-I101 CarbonylContact C-O 3.21Å; L96-I101 WeakPolarHBondContact CB-O 3.42Å; L96-I101 PolarHBondContact O-N 3.08Å; L96-I101 VanDerWaalsContact O-N 3.13Å; L96-I101 VanDerWaalsContact O-O 3.1Å; N97-I101 PolarHBondContact N-O 3.36Å; N97-I101 PolarHBondContact OD1-O 3.08Å; Q99-I101 VanDerWaalsContact C-N 3.32Å; I101-D105 HydrophobicContact CG2-CB 3.95Å; I101-L106 HydrophobicContact CG2-CD1 4.37Å; I101-L106 HydrophobicContact CG2-CD2 4Å; I101-L106 HydrophobicContact CG2-CG 3.8Å
102T89.7Confident91.3Very high48 Ų4867.6 Ų67.629%0.29435%0.353SS..  trans-98.7164.1173.573.40000111.4Y104 D105 L106T102-Y104 PolarHBondContact O-N 3.06Å; T102-Y104 PolarHBondContact OG1-N 2.9Å; T102-D105 WeakPolarHBondContact CA-OD2 3.4Å; T102-D105 VanDerWaalsContact CB-OD2 3.32Å; T102-D105 WeakPolarHBondContact CB-OD2 3.33Å; T102-D105 WeakPolarHBondContact CG2-OD2 3.45Å; T102-D105 PolarHBondContact N-OD2 2.89Å; T102-D105 PolarHBondContact O-N 3.32Å; T102-D105 VanDerWaalsContact O-N 3.13Å; T102-D105 VanDerWaalsContact OG1-CG 3.22Å; T102-D105 PolarHBondContact OG1-N 2.91Å; T102-D105 PolarHBondContact OG1-OD2 3.44Å; T102-L106 PolarHBondContact O-N 3.34Å
103R88.8Confident91.5Very high13 Ų1372.3 Ų72.35%0.04937%0.374CS..Hα-helixtrans-55.2-35.7172.369.9163.3176.6-127.217.3112.1E93 D105 L106 G107 F111 W408E93-R103 HydrophobicContact CG-CB 4.5Å; E93-R103 WeakPolarHBondContact OE1-CD 3.38Å; E93-R103 WeakPolarHBondContact OE1-CG 3.42Å; E93-R103 IonicContact OE1-CZ 3.77Å; E93-R103 IonicContact OE1-NE 3.43Å; E93-R103 PolarHBondContact OE1-NE 3.39Å; E93-R103 IonicContact OE1-NH1 3.02Å; E93-R103 PolarHBondContact OE1-NH1 2.84Å; E93-R103 IonicContact OE2-NH1 3.45Å; R103-D105 VanDerWaalsContact C-N 3.34Å; R103-D105 PolarHBondContact O-N 3.18Å; R103-L106 PolarHBondContact O-N 3.29Å; R103-G107 PolarHBondContact O-N 2.9Å; R103-F111 HydrophobicContact CB-CD2 3.59Å; R103-F111 HydrophobicContact CB-CE2 3.98Å; R103-F111 HydrophobicContact CB-CG 4.18Å; R103-W408 HydrophobicContact CB-CE3 4.02Å; R103-W408 HydrophobicContact CB-CH2 4.13Å; R103-W408 HydrophobicContact CB-CZ3 3.57Å; R103-W408 HydrophobicContact CG-CE3 4.3Å; R103-W408 HydrophobicContact CG-CH2 3.99Å; R103-W408 HydrophobicContact CG-CZ3 3.89Å; R103-W408 WeakPolarHBondContact O-CH2 3.44Å; R103-W408 WeakPolarHBondContact O-CZ3 3.29Å
104Y88.8Confident91.6Very high118 Ų11874 Ų7446%0.46338%0.382SS..Hα-helixtrans-69.8-31.5-178.4-58.8-71.6000112.5T102 L106 R181 W408T102-Y104 PolarHBondContact O-N 3.06Å; T102-Y104 PolarHBondContact OG1-N 2.9Å; Y104-L106 VanDerWaalsContact C-N 3.29Å; Y104-L106 PolarHBondContact O-N 2.96Å; Y104-R181 PolarHBondContact OH-NH1 3.29Å; Y104-W408 HydrophobicContact CD1-CH2 4.18Å; Y104-W408 HydrophobicContact CD1-CZ2 4.12Å; Y104-W408 HydrophobicContact CE1-CZ2 4.22Å
105D91.2Very high91.9Very high113 Ų11371.8 Ų71.860%0.60436%0.364SS*.Hα-helixtrans-69.1-29.7175.3-58.2-51.8000112.1I101 T102 R103I101-D105 HydrophobicContact CG2-CB 3.95Å; T102-D105 WeakPolarHBondContact CA-OD2 3.4Å; T102-D105 VanDerWaalsContact CB-OD2 3.32Å; T102-D105 WeakPolarHBondContact CB-OD2 3.33Å; T102-D105 WeakPolarHBondContact CG2-OD2 3.45Å; T102-D105 PolarHBondContact N-OD2 2.89Å; T102-D105 PolarHBondContact O-N 3.32Å; T102-D105 VanDerWaalsContact O-N 3.13Å; T102-D105 VanDerWaalsContact OG1-CG 3.22Å; T102-D105 PolarHBondContact OG1-N 2.91Å; T102-D105 PolarHBondContact OG1-OD2 3.44Å; R103-D105 VanDerWaalsContact C-N 3.34Å; R103-D105 PolarHBondContact O-N 3.18Å
106L90.3Very high92.1Very high46 Ų4672.8 Ų72.824%0.24137%0.366CS..Hα-helixtrans-83.8-36.1178.2-69178.9000113.3L96 I101 T102 R103 Y104 K110 Q114L96-L106 HydrophobicContact CD1-CD1 3.74Å; L96-L106 HydrophobicContact CD2-CD1 3.98Å; I101-L106 HydrophobicContact CG2-CD1 4.37Å; I101-L106 HydrophobicContact CG2-CD2 4Å; I101-L106 HydrophobicContact CG2-CG 3.8Å; T102-L106 PolarHBondContact O-N 3.34Å; R103-L106 PolarHBondContact O-N 3.29Å; Y104-L106 VanDerWaalsContact C-N 3.29Å; Y104-L106 PolarHBondContact O-N 2.96Å; L106-K110 HydrophobicContact CB-CB 4.05Å; L106-Q114 HydrophobicContact CD1-CG 4.33Å
107G92.2Very high92.2Very high29 Ų2977.4 Ų77.430%0.29939%0.39SS..  trans79164.5-164.800000112.8R103 E109 F111R103-G107 PolarHBondContact O-N 2.9Å; G107-E109 PolarHBondContact O-N 2.77Å; G107-F111 WeakPolarHBondContact O-CB 3.22Å; G107-F111 PolarHBondContact O-N 2.76Å
108R91.5Very high92.3Very high58 Ų5873.9 Ų73.922%0.21937%0.37CS..Hα-helixtrans-58-48.1-171.2-173.4176.3-175.8145.65.9113.3F111 L112 W408 E441R108-F111 PolarHBondContact O-N 3.24Å; R108-L112 HydrophobicContact CG-CD1 4.13Å; R108-L112 HydrophobicContact CG-CG 4.47Å; R108-L112 VanDerWaalsContact O-CG 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.22Å; R108-L112 PolarHBondContact O-N 3.24Å; R108-W408 HydrophobicContact CB-CD2 4.2Å; R108-W408 HydrophobicContact CB-CE3 4.24Å; R108-W408 HydrophobicContact CB-CZ3 4.47Å; R108-W408 HydrophobicContact CG-CB 4.3Å; R108-W408 HydrophobicContact CG-CD2 4.15Å; R108-W408 HydrophobicContact CG-CE3 4.45Å; R108-W408 HydrophobicContact CG-CG 4.08Å; R108-E441 PolarHBondContact NH1-O 3.36Å; R108-E441 PolarHBondContact NH2-O 2.88Å
109E92.8Very high92.3Very high148 Ų14866.6 Ų66.669%0.69234%0.336SS*.Hα-helixtrans-59.4-54-176.1-172.8179.7-17400111.9G107 F111 L112 E113G107-E109 PolarHBondContact O-N 2.77Å; E109-F111 VanDerWaalsContact C-N 3.33Å; E109-F111 PolarHBondContact O-N 2.97Å; E109-L112 WeakPolarHBondContact O-CB 3.45Å; E109-L112 PolarHBondContact O-N 2.77Å; E109-L112 VanDerWaalsContact O-N 3.14Å; E109-E113 PolarHBondContact O-N 3.45Å; E109-E113 VanDerWaalsContact O-N 3.07Å
110K94.7Very high92.4Very high122 Ų12265.4 Ų65.453%0.5333%0.33SS..Hα-helixtrans-66.5-33.4178.9-69.7-174.4179.6177.90113.2L106 L112 E113 Q114L106-K110 HydrophobicContact CB-CB 4.05Å; K110-L112 VanDerWaalsContact C-N 3.34Å; K110-E113 PolarHBondContact O-N 3.05Å; K110-Q114 WeakPolarHBondContact O-CG 3.49Å; K110-Q114 PolarHBondContact O-N 3.05Å
111F94.6Very high92.3Very high0 Ų066.2 Ų66.20%032%0.317CS..Hα-helixtrans-63.6-41.9173176.2-91.9000111.5Q89 V92 E93 L96 R103 G107 R108 E109 E113 Q114 A115 W408Q89-F111 HydrophobicContact CB-CZ 4.34Å; Q89-F111 HydrophobicContact CG-CE1 4.21Å; Q89-F111 HydrophobicContact CG-CZ 3.74Å; V92-F111 HydrophobicContact CB-CE2 4.35Å; V92-F111 HydrophobicContact CB-CZ 4.34Å; V92-F111 HydrophobicContact CG1-CD2 4.45Å; V92-F111 HydrophobicContact CG1-CE2 3.76Å; V92-F111 HydrophobicContact CG1-CZ 4.1Å; E93-F111 HydrophobicContact CG-CE2 3.83Å; E93-F111 HydrophobicContact CG-CZ 4.28Å; L96-F111 HydrophobicContact CD1-CD2 3.9Å; L96-F111 HydrophobicContact CD1-CE2 4.05Å; R103-F111 HydrophobicContact CB-CD2 3.59Å; R103-F111 HydrophobicContact CB-CE2 3.98Å; R103-F111 HydrophobicContact CB-CG 4.18Å; G107-F111 WeakPolarHBondContact O-CB 3.22Å; G107-F111 PolarHBondContact O-N 2.76Å; R108-F111 PolarHBondContact O-N 3.24Å; E109-F111 VanDerWaalsContact C-N 3.33Å; E109-F111 PolarHBondContact O-N 2.97Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-E113 PolarHBondContact O-N 2.72Å; F111-Q114 WeakPolarHBondContact O-CB 3.48Å; F111-Q114 PolarHBondContact O-N 3.07Å; F111-A115 PolarHBondContact O-N 3.45Å; F111-W408 HydrophobicContact CB-CE3 3.62Å; F111-W408 HydrophobicContact CB-CZ3 3.77Å; F111-W408 HydrophobicContact CD1-CB 3.91Å; F111-W408 HydrophobicContact CD1-CD2 4.46Å; F111-W408 AromaticContact CD1-CE3 3.67Å; F111-W408 HydrophobicContact CD1-CE3 3.67Å; F111-W408 HydrophobicContact CD2-CE3 4.44Å; F111-W408 HydrophobicContact CE1-CB 4.11Å; F111-W408 AromaticContact CG-CE3 3.63Å; F111-W408 HydrophobicContact CG-CE3 3.63Å; F111-W408 HydrophobicContact CG-CZ3 4.11Å
112L94.2Very high92.3Very high47 Ų4765.6 Ų65.625%0.24631%0.311CS..Hα-helixtrans-63.4-39176.5-72.3175.4000112R108 E109 K110 Q114 A115 W116 W408 W409R108-L112 HydrophobicContact CG-CD1 4.13Å; R108-L112 HydrophobicContact CG-CG 4.47Å; R108-L112 VanDerWaalsContact O-CG 3.3Å; R108-L112 WeakPolarHBondContact O-CG 3.22Å; R108-L112 PolarHBondContact O-N 3.24Å; E109-L112 WeakPolarHBondContact O-CB 3.45Å; E109-L112 PolarHBondContact O-N 2.77Å; E109-L112 VanDerWaalsContact O-N 3.14Å; K110-L112 VanDerWaalsContact C-N 3.34Å; L112-Q114 VanDerWaalsContact C-N 3.32Å; L112-Q114 PolarHBondContact O-N 2.91Å; L112-A115 PolarHBondContact O-N 3.35Å; L112-W116 PolarHBondContact O-N 3Å; L112-W408 WeakPolarHBondContact CD2-O 3.46Å; L112-W409 HydrophobicContact CD2-CE3 3.75Å; L112-W409 HydrophobicContact CD2-CZ3 4.31Å
113E95.1Very high92.4Very high104 Ų10463.3 Ų63.349%0.48630%0.297SS..Hα-helixtrans-56-47.5171.7-67.6175.9169.400111.1E109 K110 F111 A115 W116 D117E109-E113 PolarHBondContact O-N 3.45Å; E109-E113 VanDerWaalsContact O-N 3.07Å; K110-E113 PolarHBondContact O-N 3.05Å; F111-E113 VanDerWaalsContact C-N 3.34Å; F111-E113 PolarHBondContact O-N 2.72Å; E113-A115 VanDerWaalsContact C-N 3.31Å; E113-A115 PolarHBondContact O-N 3.07Å; E113-W116 PolarHBondContact O-N 2.94Å; E113-D117 PolarHBondContact O-N 3.38Å
114Q93.8Very high92.6Very high71 Ų7165.6 Ų65.633%0.33232%0.315SS..Hα-helixtrans-62.7-35.6176.9-66.4-60.2-60.800113.1V92 L96 L106 K110 F111 L112 W118V92-Q114 HydrophobicContact CG1-CB 4.19Å; L96-Q114 HydrophobicContact CD2-CG 4.43Å; L106-Q114 HydrophobicContact CD1-CG 4.33Å; K110-Q114 WeakPolarHBondContact O-CG 3.49Å; K110-Q114 PolarHBondContact O-N 3.05Å; F111-Q114 WeakPolarHBondContact O-CB 3.48Å; F111-Q114 PolarHBondContact O-N 3.07Å; L112-Q114 VanDerWaalsContact C-N 3.32Å; L112-Q114 PolarHBondContact O-N 2.91Å; Q114-W118 WeakPolarHBondContact O-CB 3.2Å; Q114-W118 PolarHBondContact O-N 3.24Å
115A93.6Very high92.8Very high0 Ų063.6 Ų63.60%031%0.309CS..Hα-helixtrans-69.8-36.9176.600000112.5V92 F111 L112 E113 K119 W409V92-A115 HydrophobicContact CG2-CB 4.43Å; F111-A115 PolarHBondContact O-N 3.45Å; L112-A115 PolarHBondContact O-N 3.35Å; E113-A115 VanDerWaalsContact C-N 3.31Å; E113-A115 PolarHBondContact O-N 3.07Å; A115-K119 WeakPolarHBondContact O-CB 3.32Å; A115-K119 PolarHBondContact O-N 3.47Å; A115-W409 HydrophobicContact CB-CD2 3.87Å; A115-W409 HydrophobicContact CB-CE3 3.47Å; A115-W409 VanDerWaalsContact CB-CE3 3.47Å; A115-W409 HydrophobicContact CB-CG 4.46Å; A115-W409 HydrophobicContact CB-CH2 4.33Å; A115-W409 HydrophobicContact CB-CZ3 3.74Å
116W94.9Very high93Very high102 Ų10258.2 Ų58.239%0.38628%0.28SS..Hα-helixtrans-67.3-43.1172.9-81.7110.2000112.4L112 E113 W118 K119 E120 F144 L146 W409L112-W116 PolarHBondContact O-N 3Å; E113-W116 PolarHBondContact O-N 2.94Å; W116-W118 VanDerWaalsContact C-N 3.31Å; W116-W118 PolarHBondContact O-N 3.31Å; W116-K119 HydrophobicContact CE3-CD 4.12Å; W116-K119 HydrophobicContact CZ3-CD 4.14Å; W116-K119 WeakPolarHBondContact O-CB 3.49Å; W116-K119 PolarHBondContact O-N 3.11Å; W116-K119 VanDerWaalsContact O-N 3.12Å; W116-E120 PolarHBondContact O-N 2.88Å; W116-F144 HydrophobicContact CH2-CD1 4Å; W116-F144 AromaticContact CH2-CE1 3.69Å; W116-F144 HydrophobicContact CH2-CE1 3.69Å; W116-F144 AromaticContact CZ3-CD1 3.99Å; W116-F144 HydrophobicContact CZ3-CD1 3.99Å; W116-F144 AromaticContact CZ3-CE1 3.64Å; W116-F144 HydrophobicContact CZ3-CE1 3.64Å; W116-L146 HydrophobicContact CH2-CB 4.24Å; W116-L146 HydrophobicContact CZ2-CB 4.43Å; W116-W409 AromaticContact CD1-CZ3 3.75Å; W116-W409 AromaticContact CD2-CH2 3.68Å; W116-W409 HydrophobicContact CD2-CH2 3.68Å; W116-W409 HydrophobicContact CD2-CZ3 4.08Å; W116-W409 AromaticContact CE2-CH2 3.66Å; W116-W409 AromaticContact CE2-CZ3 3.81Å; W116-W409 HydrophobicContact CE3-CH2 4.12Å; W116-W409 AromaticContact CG-CH2 4Å; W116-W409 HydrophobicContact CG-CH2 4Å; W116-W409 HydrophobicContact CG-CZ3 4.04Å; W116-W409 HydrophobicContact CH2-CH2 4.48Å; W116-W409 HydrophobicContact CZ2-CH2 4.07Å; W116-W409 HydrophobicContact CZ2-CZ3 4.42Å; W116-W409 HydrophobicContact CZ3-CH2 4.49Å; W116-W409 AromaticContact NE1-CH2 3.94Å; W116-W409 AromaticContact NE1-CZ3 3.59Å
117D93Very high93.2Very high103 Ų10359.5 Ų59.555%0.55128%0.282SS*.Hα-helixtrans-59.2-44.2174.6-75.9-16.2000111.2E113 K119 E120 E121E113-D117 PolarHBondContact O-N 3.38Å; D117-K119 PolarHBondContact O-N 3.23Å; D117-E120 PolarHBondContact O-N 3.41Å; D117-E121 PolarHBondContact O-N 3.03Å; D117-E121 VanDerWaalsContact O-N 3.13Å
118W92.6Very high93.3Very high18 Ų1860.8 Ų60.87%0.06829%0.289CS..Hα-helixtrans-58-47.1173.3177.1-75.7000111.4V46 K91 V92 K95 Q114 W116 E120 E121 Y122V46-W118 PolarHBondContact O-NE1 3.23Å; K91-W118 HydrophobicContact CB-CH2 3.75Å; K91-W118 HydrophobicContact CB-CZ2 3.49Å; K91-W118 VanDerWaalsContact CB-CZ2 3.49Å; K91-W118 HydrophobicContact CB-CZ3 4.49Å; K91-W118 HydrophobicContact CG-CZ2 4.14Å; V92-W118 HydrophobicContact CG2-CB 3.83Å; V92-W118 HydrophobicContact CG2-CD2 3.86Å; V92-W118 HydrophobicContact CG2-CE3 4.13Å; V92-W118 HydrophobicContact CG2-CG 3.71Å; K95-W118 HydrophobicContact CB-CZ3 4.12Å; K95-W118 HydrophobicContact CD-CE3 3.86Å; K95-W118 HydrophobicContact CD-CZ3 3.66Å; Q114-W118 WeakPolarHBondContact O-CB 3.2Å; Q114-W118 PolarHBondContact O-N 3.24Å; W116-W118 VanDerWaalsContact C-N 3.31Å; W116-W118 PolarHBondContact O-N 3.31Å; W118-E120 VanDerWaalsContact C-N 3.33Å; W118-E120 PolarHBondContact O-N 3.12Å; W118-E121 PolarHBondContact O-N 3.45Å; W118-Y122 AromaticContact CD1-CD2 3.68Å; W118-Y122 AromaticContact CD2-CD2 3.84Å; W118-Y122 HydrophobicContact CD2-CD2 3.84Å; W118-Y122 AromaticContact CD2-CE2 3.56Å; W118-Y122 HydrophobicContact CD2-CE2 3.56Å; W118-Y122 AromaticContact CE2-CD2 3.39Å; W118-Y122 AromaticContact CE2-CE2 3.1Å; W118-Y122 AromaticContact CE2-CZ 3.98Å; W118-Y122 AromaticContact CE3-CE2 3.99Å; W118-Y122 HydrophobicContact CE3-CE2 3.99Å; W118-Y122 AromaticContact CG-CD2 3.99Å; W118-Y122 HydrophobicContact CG-CD2 3.99Å; W118-Y122 HydrophobicContact CG-CE2 4.2Å; W118-Y122 AromaticContact CH2-CE2 3.56Å; W118-Y122 HydrophobicContact CH2-CE2 3.56Å; W118-Y122 AromaticContact CH2-CZ 3.84Å; W118-Y122 WeakPolarHBondContact CH2-OH 3.43Å; W118-Y122 AromaticContact CZ2-CD2 3.82Å; W118-Y122 HydrophobicContact CZ2-CD2 3.82Å; W118-Y122 AromaticContact CZ2-CE2 3.09Å; W118-Y122 HydrophobicContact CZ2-CE2 3.09Å; W118-Y122 AromaticContact CZ2-CZ 3.5Å; W118-Y122 VanDerWaalsContact CZ2-CZ 3.5Å; W118-Y122 AromaticContact CZ3-CE2 4Å; W118-Y122 HydrophobicContact CZ3-CE2 4Å; W118-Y122 AromaticContact NE1-CD2 3.28Å; W118-Y122 VanDerWaalsContact NE1-CD2 3.28Å; W118-Y122 AromaticContact NE1-CE2 3.55Å; W118-Y122 WeakPolarHBondContact O-CD2 3.45Å; W118-Y122 PolarHBondContact O-N 3.27Å
119K92.9Very high93.5Very high17 Ų1758.4 Ų58.47%0.07428%0.281CS..Hα-helixtrans-58.4-43.9178.6176.4-94.6172.5176.60111.8V46 A115 W116 D117 Y122 A123 F144V46-K119 HydrophobicContact CB-CG 4.45Å; V46-K119 HydrophobicContact CG1-CG 4.19Å; V46-K119 HydrophobicContact CG2-CB 4.39Å; V46-K119 HydrophobicContact CG2-CG 4.26Å; A115-K119 WeakPolarHBondContact O-CB 3.32Å; A115-K119 PolarHBondContact O-N 3.47Å; W116-K119 HydrophobicContact CE3-CD 4.12Å; W116-K119 HydrophobicContact CZ3-CD 4.14Å; W116-K119 WeakPolarHBondContact O-CB 3.49Å; W116-K119 PolarHBondContact O-N 3.11Å; W116-K119 VanDerWaalsContact O-N 3.12Å; D117-K119 PolarHBondContact O-N 3.23Å; K119-Y122 PolarHBondContact O-N 3.47Å; K119-A123 WeakPolarHBondContact O-CB 3.45Å; K119-A123 PolarHBondContact O-N 3.22Å; K119-F144 HydrophobicContact CD-CE1 4.26Å; K119-F144 HydrophobicContact CD-CZ 4.27Å; K119-F144 HydrophobicContact CG-CE1 4.13Å; K119-F144 HydrophobicContact CG-CE2 3.99Å; K119-F144 HydrophobicContact CG-CZ 3.68Å
120E92Very high93.7Very high94 Ų9451.4 Ų51.444%0.43925%0.248SC..Hα-helixtrans-66.3-40.7-179.4-70.8-53.1137.400112.4W116 D117 W118 S124W116-E120 PolarHBondContact O-N 2.88Å; D117-E120 PolarHBondContact O-N 3.41Å; W118-E120 VanDerWaalsContact C-N 3.33Å; W118-E120 PolarHBondContact O-N 3.12Å; E120-S124 PolarHBondContact O-N 2.92Å
121E90.4Very high93.8Very high83 Ų8346.6 Ų46.639%0.38823%0.231SC..Hα-helixtrans-58.1-52.4174.5-174.1-177.3166.800110.9K95 D117 W118 S124 F125K95-E121 IonicContact NZ-OE2 2.62Å; D117-E121 PolarHBondContact O-N 3.03Å; D117-E121 VanDerWaalsContact O-N 3.13Å; W118-E121 PolarHBondContact O-N 3.45Å; E121-S124 WeakPolarHBondContact O-CB 3.37Å; E121-S124 PolarHBondContact O-N 3.06Å; E121-S124 PolarHBondContact O-OG 3.26Å; E121-F125 HydrophobicContact CG-CD2 4.47Å; E121-F125 HydrophobicContact CG-CE2 3.85Å; E121-F125 WeakPolarHBondContact O-CD2 3.22Å; E121-F125 PolarHBondContact O-N 3.31Å
122Y91.1Very high93.9Very high44 Ų4449.9 Ų49.917%0.17325%0.245CC..Hα-helixtrans-73.4-32.1-177-78.9-80.7000114.1G48 W118 K119 S124 F125 I126G48-Y122 VanDerWaalsContact CA-CE1 3.48Å; W118-Y122 AromaticContact CD1-CD2 3.68Å; W118-Y122 AromaticContact CD2-CD2 3.84Å; W118-Y122 HydrophobicContact CD2-CD2 3.84Å; W118-Y122 AromaticContact CD2-CE2 3.56Å; W118-Y122 HydrophobicContact CD2-CE2 3.56Å; W118-Y122 AromaticContact CE2-CD2 3.39Å; W118-Y122 AromaticContact CE2-CE2 3.1Å; W118-Y122 AromaticContact CE2-CZ 3.98Å; W118-Y122 AromaticContact CE3-CE2 3.99Å; W118-Y122 HydrophobicContact CE3-CE2 3.99Å; W118-Y122 AromaticContact CG-CD2 3.99Å; W118-Y122 HydrophobicContact CG-CD2 3.99Å; W118-Y122 HydrophobicContact CG-CE2 4.2Å; W118-Y122 AromaticContact CH2-CE2 3.56Å; W118-Y122 HydrophobicContact CH2-CE2 3.56Å; W118-Y122 AromaticContact CH2-CZ 3.84Å; W118-Y122 WeakPolarHBondContact CH2-OH 3.43Å; W118-Y122 AromaticContact CZ2-CD2 3.82Å; W118-Y122 HydrophobicContact CZ2-CD2 3.82Å; W118-Y122 AromaticContact CZ2-CE2 3.09Å; W118-Y122 HydrophobicContact CZ2-CE2 3.09Å; W118-Y122 AromaticContact CZ2-CZ 3.5Å; W118-Y122 VanDerWaalsContact CZ2-CZ 3.5Å; W118-Y122 AromaticContact CZ3-CE2 4Å; W118-Y122 HydrophobicContact CZ3-CE2 4Å; W118-Y122 AromaticContact NE1-CD2 3.28Å; W118-Y122 VanDerWaalsContact NE1-CD2 3.28Å; W118-Y122 AromaticContact NE1-CE2 3.55Å; W118-Y122 WeakPolarHBondContact O-CD2 3.45Å; W118-Y122 PolarHBondContact O-N 3.27Å; K119-Y122 PolarHBondContact O-N 3.47Å; Y122-S124 PolarHBondContact O-N 2.86Å; Y122-F125 HydrophobicContact CD1-CD2 4.23Å; Y122-F125 PolarHBondContact O-N 3.36Å; Y122-I126 WeakPolarHBondContact O-CG1 3.41Å; Y122-I126 PolarHBondContact O-N 3.12Å
123A92.9Very high94.1Very high0 Ų047.9 Ų47.90%023%0.234CC..Hα-helixtrans-59.3-38.4172.500000111.3M81 K119 F125 I126 R127M81-A123 HydrophobicContact CE-CB 3.89Å; M81-A123 HydrophobicContact SD-CB 3.55Å; M81-A123 VanDerWaalsContact SD-CB 3.55Å; K119-A123 WeakPolarHBondContact O-CB 3.45Å; K119-A123 PolarHBondContact O-N 3.22Å; A123-F125 PolarHBondContact O-N 2.89Å; A123-I126 PolarHBondContact O-N 2.99Å; A123-R127 WeakPolarHBondContact O-CG 3.34Å; A123-R127 PolarHBondContact O-N 3.42Å
124S92.5Very high94.2Very high61 Ų6142.9 Ų42.943%0.42721%0.211SC..Hα-helixtrans-63.2-40.3176.280.20000112.6E120 E121 Y122 A128E120-S124 PolarHBondContact O-N 2.92Å; E121-S124 WeakPolarHBondContact O-CB 3.37Å; E121-S124 PolarHBondContact O-N 3.06Å; E121-S124 PolarHBondContact O-OG 3.26Å; Y122-S124 PolarHBondContact O-N 2.86Å; S124-A128 WeakPolarHBondContact O-CB 3.2Å; S124-A128 PolarHBondContact O-N 3.27Å
125F92.6Very high94.4Very high76 Ų7639.5 Ų39.533%0.33320%0.195SC..Hα-helixtrans-66.6-45.1175.8-69.5-56.7000112.1E121 Y122 A123 R127 A128 Q129E121-F125 HydrophobicContact CG-CD2 4.47Å; E121-F125 HydrophobicContact CG-CE2 3.85Å; E121-F125 WeakPolarHBondContact O-CD2 3.22Å; E121-F125 PolarHBondContact O-N 3.31Å; Y122-F125 HydrophobicContact CD1-CD2 4.23Å; Y122-F125 PolarHBondContact O-N 3.36Å; A123-F125 PolarHBondContact O-N 2.89Å; F125-R127 PolarHBondContact O-N 2.87Å; F125-A128 PolarHBondContact O-N 3.48Å; F125-Q129 WeakPolarHBondContact O-CG 3.35Å; F125-Q129 PolarHBondContact O-N 3.25Å
126I94.9Very high94.6Very high0 Ų039.6 Ų39.60%020%0.196CC..Hα-helixtrans-59.7-47.8178.6-68.9169.3000110.3P44 V46 L50 M81 Y122 A123 A128 Q129 W130P44-I126 HydrophobicContact CG-CD1 4.32Å; P44-I126 HydrophobicContact CG-CG2 3.93Å; V46-I126 HydrophobicContact CG1-CD1 4.46Å; L50-I126 HydrophobicContact CD1-CG2 4.18Å; L50-I126 HydrophobicContact CD2-CG1 4.16Å; L50-I126 HydrophobicContact CD2-CG2 4.5Å; L50-I126 HydrophobicContact CG-CG1 4.26Å; L50-I126 HydrophobicContact CG-CG2 4.47Å; M81-I126 HydrophobicContact CE-CB 3.91Å; M81-I126 HydrophobicContact CE-CG2 3.71Å; M81-I126 HydrophobicContact SD-CB 4.39Å; M81-I126 HydrophobicContact SD-CD1 4.04Å; M81-I126 HydrophobicContact SD-CG2 4.33Å; Y122-I126 WeakPolarHBondContact O-CG1 3.41Å; Y122-I126 PolarHBondContact O-N 3.12Å; A123-I126 PolarHBondContact O-N 2.99Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 2.63Å; I126-Q129 PolarHBondContact O-N 3.15Å; I126-Q129 VanDerWaalsContact O-N 3.14Å; I126-W130 HydrophobicContact CG2-CD2 3.81Å; I126-W130 VanDerWaalsContact CG2-CE2 3.49Å; I126-W130 HydrophobicContact CG2-CE3 4.04Å; I126-W130 HydrophobicContact CG2-CH2 3.69Å; I126-W130 HydrophobicContact CG2-CZ2 3.46Å; I126-W130 VanDerWaalsContact CG2-CZ2 3.46Å; I126-W130 HydrophobicContact CG2-CZ3 3.98Å; I126-W130 PolarHBondContact O-N 2.95Å
127R95Very high94.7Very high73 Ų7335 Ų3528%0.27518%0.179SC..Hα-helixtrans-60.1-41.1176.6-70.4176.8-168.5122.51.2112.2M81 A123 F125 Q129 W130 A131 Y139 E142M81-R127 HydrophobicContact CE-CG 3.81Å; A123-R127 WeakPolarHBondContact O-CG 3.34Å; A123-R127 PolarHBondContact O-N 3.42Å; F125-R127 PolarHBondContact O-N 2.87Å; R127-Q129 VanDerWaalsContact C-N 3.32Å; R127-Q129 PolarHBondContact O-N 3.42Å; R127-W130 HydrophobicContact CG-CE3 4.26Å; R127-W130 HydrophobicContact CG-CZ3 4.36Å; R127-W130 PolarHBondContact O-N 2.99Å; R127-A131 VanDerWaalsContact O-CB 3.3Å; R127-A131 WeakPolarHBondContact O-CB 3.37Å; R127-A131 PolarHBondContact O-N 3.3Å; R127-Y139 HydrophobicContact CG-CE1 4.46Å; R127-E142 IonicContact CZ-OE1 3.66Å; R127-E142 VanDerWaalsContact CZ-OE1 3.26Å; R127-E142 IonicContact CZ-OE2 3.01Å; R127-E142 IonicContact NE-OE1 3.66Å; R127-E142 PolarHBondContact NE-OE1 3.26Å; R127-E142 IonicContact NE-OE2 2.77Å; R127-E142 PolarHBondContact NE-OE2 2.8Å; R127-E142 IonicContact NH2-OE1 3.94Å; R127-E142 PolarHBondContact NH2-OE1 3.36Å; R127-E142 IonicContact NH2-OE2 2.68Å
128A94.6Very high94.9Very high55 Ų5530.2 Ų30.246%0.45515%0.154SC..Hα-helixtrans-63.3-38.2176.400000112.2S124 F125 I126 A131 K132S124-A128 WeakPolarHBondContact O-CB 3.2Å; S124-A128 PolarHBondContact O-N 3.27Å; F125-A128 PolarHBondContact O-N 3.48Å; I126-A128 VanDerWaalsContact C-N 3.33Å; I126-A128 PolarHBondContact O-N 2.63Å; A128-A131 PolarHBondContact O-N 2.84Å; A128-K132 WeakPolarHBondContact O-CB 3.26Å; A128-K132 PolarHBondContact O-N 3.13Å
129Q95.8Very high95Very high9 Ų932.1 Ų32.14%0.04216%0.161CC..Hα-helixtrans-69.5-42.7176.4-68.3-177.5-7800112.1L50 F125 I126 R127 A131 K132 L133 M532L50-Q129 HydrophobicContact CD1-CB 4.17Å; L50-Q129 PolarHBondContact O-NE2 2.91Å; F125-Q129 WeakPolarHBondContact O-CG 3.35Å; F125-Q129 PolarHBondContact O-N 3.25Å; I126-Q129 PolarHBondContact O-N 3.15Å; I126-Q129 VanDerWaalsContact O-N 3.14Å; R127-Q129 VanDerWaalsContact C-N 3.32Å; R127-Q129 PolarHBondContact O-N 3.42Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 3.37Å; Q129-K132 PolarHBondContact O-N 2.95Å; Q129-L133 PolarHBondContact O-N 2.95Å; Q129-M532 HydrophobicContact CB-SD 4.44Å; Q129-M532 HydrophobicContact CG-CG 4.14Å; Q129-M532 HydrophobicContact CG-SD 3.9Å
130W97Very high95.1Very high1 Ų134.8 Ų34.80%0.00418%0.182CC..Hα-helixtrans-59.3-43.7172.3-70.4-23.5000112.3I41 P44 P79 G80 M81 I126 R127 L133 G134 L135 L137 Y139I41-W130 HydrophobicContact CD1-CZ2 4.19Å; I41-W130 HydrophobicContact CG2-CZ2 4.23Å; P44-W130 HydrophobicContact CG-CH2 4.38Å; P44-W130 HydrophobicContact CG-CZ2 3.6Å; P79-W130 HydrophobicContact CB-CH2 4.33Å; P79-W130 HydrophobicContact CB-CZ3 4.08Å; G80-W130 WeakPolarHBondContact O-CH2 3.34Å; M81-W130 HydrophobicContact CE-CE3 4.5Å; M81-W130 HydrophobicContact CE-CH2 3.8Å; M81-W130 HydrophobicContact CE-CZ3 3.62Å; M81-W130 HydrophobicContact CG-CH2 3.87Å; I126-W130 HydrophobicContact CG2-CD2 3.81Å; I126-W130 VanDerWaalsContact CG2-CE2 3.49Å; I126-W130 HydrophobicContact CG2-CE3 4.04Å; I126-W130 HydrophobicContact CG2-CH2 3.69Å; I126-W130 HydrophobicContact CG2-CZ2 3.46Å; I126-W130 VanDerWaalsContact CG2-CZ2 3.46Å; I126-W130 HydrophobicContact CG2-CZ3 3.98Å; I126-W130 PolarHBondContact O-N 2.95Å; R127-W130 HydrophobicContact CG-CE3 4.26Å; R127-W130 HydrophobicContact CG-CZ3 4.36Å; R127-W130 PolarHBondContact O-N 2.99Å; W130-L133 PolarHBondContact O-N 2.96Å; W130-G134 PolarHBondContact O-N 3.47Å; W130-L135 HydrophobicContact CB-CD1 3.88Å; W130-L135 VanDerWaalsContact CD1-CD1 3.41Å; W130-L135 HydrophobicContact CG-CD1 3.8Å; W130-L135 PolarHBondContact O-N 2.97Å; W130-L137 HydrophobicContact CB-CD1 3.85Å; W130-L137 HydrophobicContact CD2-CD1 3.88Å; W130-L137 HydrophobicContact CE3-CD1 3.83Å; W130-L137 HydrophobicContact CG-CD1 3.94Å; W130-Y139 HydrophobicContact CE3-CE1 4.35Å
131A96.6Very high95.2Very high20 Ų2032.1 Ų32.117%0.16517%0.168CC..Hα-helixtrans-62.6-45.1176.900000112.1Y17 R127 A128 Q129 L133 G134Y17-A131 VanDerWaalsContact CD1-CA 3.47Å; Y17-A131 HydrophobicContact CD1-CB 3.39Å; Y17-A131 HydrophobicContact CE1-CB 3.41Å; Y17-A131 VanDerWaalsContact CE1-CB 3.41Å; Y17-A131 HydrophobicContact CG-CB 4.31Å; R127-A131 VanDerWaalsContact O-CB 3.3Å; R127-A131 WeakPolarHBondContact O-CB 3.37Å; R127-A131 PolarHBondContact O-N 3.3Å; A128-A131 PolarHBondContact O-N 2.84Å; Q129-A131 VanDerWaalsContact C-N 3.33Å; Q129-A131 PolarHBondContact O-N 3.37Å; A131-L133 VanDerWaalsContact C-N 3.3Å; A131-L133 PolarHBondContact O-N 3.05Å; A131-G134 WeakPolarHBondContact O-CA 3.41Å; A131-G134 PolarHBondContact O-N 3.18Å
132K96.7Very high95.5Very high70 Ų7030.5 Ų30.530%0.30416%0.16SC..Hα-helixtrans-63-35.8178.4-167.679.7177.9-159.10112.3A128 Q129 G134 M532 I535 D536 A540A128-K132 WeakPolarHBondContact O-CB 3.26Å; A128-K132 PolarHBondContact O-N 3.13Å; Q129-K132 PolarHBondContact O-N 2.95Å; K132-G134 PolarHBondContact O-N 3.25Å; K132-M532 HydrophobicContact CB-CE 3.87Å; K132-M532 HydrophobicContact CB-SD 3.84Å; K132-M532 HydrophobicContact CD-CE 3.94Å; K132-M532 HydrophobicContact CG-CE 3.61Å; K132-M532 HydrophobicContact CG-SD 3.81Å; K132-I535 HydrophobicContact CB-CD1 4.43Å; K132-I535 HydrophobicContact CD-CG2 4.18Å; K132-I535 HydrophobicContact CG-CB 4.42Å; K132-I535 HydrophobicContact CG-CD1 3.81Å; K132-I535 HydrophobicContact CG-CG2 3.82Å; K132-D536 WeakPolarHBondContact CE-OD1 3.29Å; K132-D536 IonicContact NZ-OD1 3.88Å; K132-D536 PolarHBondContact NZ-OD1 3.27Å; K132-A540 WeakPolarHBondContact O-CB 3.4Å
133L97.6Very high95.8Very high4 Ų430.7 Ų30.72%0.02116%0.161CC..Hα-helixtrans-72.2-13.5172.6-75.4169.7000113.4A55 Q129 W130 A131 L135 I535 L543 R544A55-L133 HydrophobicContact CB-CD1 3.86Å; A55-L133 HydrophobicContact CB-CD2 4.21Å; Q129-L133 PolarHBondContact O-N 2.95Å; W130-L133 PolarHBondContact O-N 2.96Å; A131-L133 VanDerWaalsContact C-N 3.3Å; A131-L133 PolarHBondContact O-N 3.05Å; L133-L135 HydrophobicContact CB-CD2 4.13Å; L133-L135 HydrophobicContact CB-CG 4.02Å; L133-I535 HydrophobicContact CD2-CD1 3.85Å; L133-I535 HydrophobicContact CG-CD1 4.24Å; L133-L543 HydrophobicContact CD2-CD2 4.14Å; L133-R544 HydrophobicContact CD2-CG 4.49Å; L133-R544 WeakPolarHBondContact O-CD 3.46Å; L133-R544 PolarHBondContact O-NH1 2.99Å
134G97.8Very high96Very high0 Ų031.3 Ų31.30%016%0.163CC..THydrogen-bonded Turntrans74.230.7-179.200000114.2R66 W130 A131 K132 G136 R544 F686R66-G134 PolarHBondContact NH2-O 3.09Å; W130-G134 PolarHBondContact O-N 3.47Å; A131-G134 WeakPolarHBondContact O-CA 3.41Å; A131-G134 PolarHBondContact O-N 3.18Å; K132-G134 PolarHBondContact O-N 3.25Å; G134-G136 PolarHBondContact O-N 3.48Å; G134-R544 PolarHBondContact O-NH1 3.22Å; G134-F686 VanDerWaalsContact CA-CZ 3.43Å
135L98.2Very high96.2Very high0 Ų028.4 Ų28.40%014%0.143CC..  trans-69.4127.6-176.7-57.3-179.1000112.2Y17 T58 D62 W130 L133 L137Y17-L135 WeakPolarHBondContact CE2-O 3.25Å; Y17-L135 VanDerWaalsContact CZ-O 3.26Å; Y17-L135 PolarHBondContact OH-O 3.05Å; T58-L135 HydrophobicContact CG2-CD1 3.99Å; D62-L135 HydrophobicContact CB-CD2 3.85Å; W130-L135 HydrophobicContact CB-CD1 3.88Å; W130-L135 VanDerWaalsContact CD1-CD1 3.41Å; W130-L135 HydrophobicContact CG-CD1 3.8Å; W130-L135 PolarHBondContact O-N 2.97Å; L133-L135 HydrophobicContact CB-CD2 4.13Å; L133-L135 HydrophobicContact CB-CG 4.02Å; L135-L137 HydrophobicContact CB-CD1 3.93Å; L135-L137 HydrophobicContact CB-CD2 4.08Å; L135-L137 HydrophobicContact CB-CG 3.72Å; L135-L137 HydrophobicContact CD1-CD1 4.25Å; L135-L137 PolarHBondContact O-N 3.42Å
136G97.6Very high96.3Very high2 Ų225.7 Ų25.72%0.02113%0.132CC..  trans-7460.1-177.200000114.8D62 G134D62-G136 WeakPolarHBondContact OD1-CA 3.43Å; D62-G136 PolarHBondContact OD1-N 2.91Å; G134-G136 PolarHBondContact O-N 3.48Å
137L97.7Very high96.4Very high4 Ų427.4 Ų27.42%0.02114%0.141CC..  trans-88143-171.2-55.1174.7000113.2I41 Y77 P79 W130 L135 Y139I41-L137 HydrophobicContact CD1-CD1 4.15Å; I41-L137 HydrophobicContact CD1-CD2 3.45Å; I41-L137 VanDerWaalsContact CD1-CD2 3.45Å; I41-L137 HydrophobicContact CD1-CG 4.45Å; I41-L137 HydrophobicContact CG1-CD2 4.24Å; Y77-L137 HydrophobicContact CD1-CD2 3.54Å; Y77-L137 HydrophobicContact CD2-CD2 4.11Å; Y77-L137 HydrophobicContact CE1-CD2 3.44Å; Y77-L137 VanDerWaalsContact CE1-CD2 3.44Å; Y77-L137 HydrophobicContact CE2-CD2 4.03Å; Y77-L137 HydrophobicContact CG-CD2 3.86Å; P79-L137 HydrophobicContact CB-CB 4.25Å; P79-L137 HydrophobicContact CB-CD1 4.05Å; P79-L137 HydrophobicContact CB-CD2 4.26Å; P79-L137 HydrophobicContact CB-CG 4.39Å; P79-L137 HydrophobicContact CG-CB 4.11Å; W130-L137 HydrophobicContact CB-CD1 3.85Å; W130-L137 HydrophobicContact CD2-CD1 3.88Å; W130-L137 HydrophobicContact CE3-CD1 3.83Å; W130-L137 HydrophobicContact CG-CD1 3.94Å; L135-L137 HydrophobicContact CB-CD1 3.93Å; L135-L137 HydrophobicContact CB-CD2 4.08Å; L135-L137 HydrophobicContact CB-CG 3.72Å; L135-L137 HydrophobicContact CD1-CD1 4.25Å; L135-L137 PolarHBondContact O-N 3.42Å; L137-Y139 HydrophobicContact CB-CE2 4.15Å; L137-Y139 HydrophobicContact CD1-CE1 4.27Å; L137-Y139 PolarHBondContact O-N 3.19Å
138D96Very high96.3Very high3 Ų332.5 Ų32.52%0.01617%0.168CC..  trans-90.487166.9-175.28.5000111.5P28 L76 Y77 P79 S140 R141P28-D138 WeakPolarHBondContact CD-OD2 3.33Å; L76-D138 HydrophobicContact CD1-CB 4.21Å; Y77-D138 PolarHBondContact O-N 2.98Å; Y77-D138 VanDerWaalsContact O-N 3.12Å; P79-D138 VanDerWaalsContact CD-O 3.27Å; P79-D138 WeakPolarHBondContact CD-O 3.09Å; D138-S140 VanDerWaalsContact CG-OG 3.31Å; D138-S140 PolarHBondContact O-N 3.41Å; D138-S140 VanDerWaalsContact O-N 3.09Å; D138-S140 WeakPolarHBondContact OD1-CB 3.23Å; D138-S140 PolarHBondContact OD1-N 3.1Å; D138-S140 PolarHBondContact OD1-OG 3.4Å; D138-S140 PolarHBondContact OD2-OG 3.25Å; D138-R141 PolarHBondContact O-N 3.23Å; D138-R141 WeakPolarHBondContact OD2-CD 3.44Å; D138-R141 IonicContact OD2-CZ 3.46Å; D138-R141 IonicContact OD2-NE 3.96Å; D138-R141 IonicContact OD2-NH1 3.4Å; D138-R141 PolarHBondContact OD2-NH1 3.45Å
139Y95.5Very high96.3Very high59 Ų5931.2 Ų31.223%0.23116%0.161CC..G310 helixtrans-61.6-15.7176.6-66.1-75.4000114.3Y17 V21 P79 R127 W130 L137 R141 E142Y17-Y139 HydrophobicContact CE1-CE2 4.1Å; Y17-Y139 WeakPolarHBondContact OH-CE2 3.16Å; Y17-Y139 PolarHBondContact OH-OH 3.01Å; V21-Y139 HydrophobicContact CG1-CD2 4.01Å; V21-Y139 HydrophobicContact CG1-CE2 4.37Å; V21-Y139 HydrophobicContact CG2-CD2 4.31Å; V21-Y139 HydrophobicContact CG2-CE2 3.95Å; P79-Y139 HydrophobicContact CG-CD1 4.49Å; R127-Y139 HydrophobicContact CG-CE1 4.46Å; W130-Y139 HydrophobicContact CE3-CE1 4.35Å; L137-Y139 HydrophobicContact CB-CE2 4.15Å; L137-Y139 HydrophobicContact CD1-CE1 4.27Å; L137-Y139 PolarHBondContact O-N 3.19Å; Y139-R141 PolarHBondContact O-N 2.97Å; Y139-E142 PolarHBondContact O-N 3.12Å
140S94.1Very high96.3Very high73 Ų7331 Ų3151%0.5116%0.16SC..G310 helixtrans-71.6-14.8175.471.20000113.2D138D138-S140 VanDerWaalsContact CG-OG 3.31Å; D138-S140 PolarHBondContact O-N 3.41Å; D138-S140 VanDerWaalsContact O-N 3.09Å; D138-S140 WeakPolarHBondContact OD1-CB 3.23Å; D138-S140 PolarHBondContact OD1-N 3.1Å; D138-S140 PolarHBondContact OD1-OG 3.4Å; D138-S140 PolarHBondContact OD2-OG 3.25Å
141R95.2Very high96.3Very high37 Ų3732.1 Ų32.114%0.1417%0.168CC..G310 helixtrans-114.718.8176.3-67.5175.9168.480.20.2112.4L78 D138 Y139 R143 D467L78-R141 HydrophobicContact CD1-CB 4.18Å; L78-R141 HydrophobicContact CG-CB 4.31Å; D138-R141 PolarHBondContact O-N 3.23Å; D138-R141 WeakPolarHBondContact OD2-CD 3.44Å; D138-R141 IonicContact OD2-CZ 3.46Å; D138-R141 IonicContact OD2-NE 3.96Å; D138-R141 IonicContact OD2-NH1 3.4Å; D138-R141 PolarHBondContact OD2-NH1 3.45Å; Y139-R141 PolarHBondContact O-N 2.97Å; R141-R143 WeakPolarHBondContact O-CG 3.49Å; R141-R143 PolarHBondContact O-N 2.77Å; R141-D467 IonicContact CZ-OD1 2.76Å; R141-D467 IonicContact CZ-OD2 3.02Å; R141-D467 IonicContact NE-OD1 3.65Å; R141-D467 PolarHBondContact NE-OD1 2.7Å; R141-D467 IonicContact NE-OD2 3.64Å; R141-D467 PolarHBondContact NE-OD2 3.2Å; R141-D467 IonicContact NH2-OD1 2.99Å; R141-D467 PolarHBondContact NH2-OD1 3.28Å; R141-D467 IonicContact NH2-OD2 3.28Å
142E96.6Very high96.2Very high49 Ų4937.1 Ų37.123%0.22919%0.186CC..  trans-60.4130.6178.5-169.2-174.3154.100110.9P79 M81 R127 Y139P79-E142 HydrophobicContact CB-CG 4.44Å; P79-E142 HydrophobicContact CG-CB 4.04Å; P79-E142 HydrophobicContact CG-CG 4.17Å; P79-E142 VanDerWaalsContact O-CA 3.31Å; P79-E142 WeakPolarHBondContact O-CA 3.45Å; M81-E142 WeakPolarHBondContact CE-OE1 3.33Å; R127-E142 IonicContact CZ-OE1 3.66Å; R127-E142 VanDerWaalsContact CZ-OE1 3.26Å; R127-E142 IonicContact CZ-OE2 3.01Å; R127-E142 IonicContact NE-OE1 3.66Å; R127-E142 PolarHBondContact NE-OE1 3.26Å; R127-E142 IonicContact NE-OE2 2.77Å; R127-E142 PolarHBondContact NE-OE2 2.8Å; R127-E142 IonicContact NH2-OE1 3.94Å; R127-E142 PolarHBondContact NH2-OE1 3.36Å; R127-E142 IonicContact NH2-OE2 2.68Å; Y139-E142 PolarHBondContact O-N 3.12Å
143R96.8Very high96.3Very high48 Ų4833.8 Ų33.818%0.18117%0.171CC..EExtended strand (participates in β ladder)trans-116.7156.4-179.6-60.6-62.6-97.6-113.3-1.8113.2L78 P79 G80 M81 R141 D147 L150 W453 S456 T457L78-R143 HydrophobicContact CD2-CG 4.23Å; P79-R143 PolarHBondContact O-N 3.35Å; P79-R143 VanDerWaalsContact O-N 3.08Å; G80-R143 CarbonylContact C-O 3.56Å; G80-R143 WeakPolarHBondContact CA-O 3.41Å; M81-R143 PolarHBondContact N-O 3.14Å; R141-R143 WeakPolarHBondContact O-CG 3.49Å; R141-R143 PolarHBondContact O-N 2.77Å; R143-D147 WeakPolarHBondContact CD-OD2 3.37Å; R143-D147 IonicContact NE-OD2 3.41Å; R143-D147 PolarHBondContact NE-OD2 2.9Å; R143-L150 HydrophobicContact CB-CD1 4.34Å; R143-L150 HydrophobicContact CG-CD1 4.37Å; R143-W453 HydrophobicContact CB-CH2 3.86Å; R143-W453 HydrophobicContact CB-CZ3 4.35Å; R143-S456 PolarHBondContact NH2-O 3.06Å; R143-T457 HydrophobicContact CB-CG2 4.09Å; R143-T457 HydrophobicContact CG-CG2 4.02Å; R143-T457 VanDerWaalsContact CZ-O 3.3Å; R143-T457 PolarHBondContact NH1-O 3.03Å
144F96.8Very high96.3Very high13 Ų1333.7 Ų33.76%0.05717%0.171CC..EExtended strand (participates in β ladder)trans-132.1137171.4179.6-124.3000108.5V46 M81 H83 W116 K119 L146 D147 W409V46-F144 HydrophobicContact CG1-CE2 4.16Å; V46-F144 HydrophobicContact CG2-CE2 4.44Å; M81-F144 HydrophobicContact CB-CD2 4.09Å; M81-F144 WeakPolarHBondContact O-CA 3.5Å; M81-F144 VanDerWaalsContact O-CD2 3.28Å; M81-F144 WeakPolarHBondContact O-CD2 3.18Å; H83-F144 HydrophobicContact CB-CE1 4.43Å; H83-F144 HydrophobicContact CB-CE2 3.94Å; H83-F144 HydrophobicContact CB-CZ 3.57Å; W116-F144 HydrophobicContact CH2-CD1 4Å; W116-F144 AromaticContact CH2-CE1 3.69Å; W116-F144 HydrophobicContact CH2-CE1 3.69Å; W116-F144 AromaticContact CZ3-CD1 3.99Å; W116-F144 HydrophobicContact CZ3-CD1 3.99Å; W116-F144 AromaticContact CZ3-CE1 3.64Å; W116-F144 HydrophobicContact CZ3-CE1 3.64Å; K119-F144 HydrophobicContact CD-CE1 4.26Å; K119-F144 HydrophobicContact CD-CZ 4.27Å; K119-F144 HydrophobicContact CG-CE1 4.13Å; K119-F144 HydrophobicContact CG-CE2 3.99Å; K119-F144 HydrophobicContact CG-CZ 3.68Å; F144-L146 HydrophobicContact CD1-CB 3.96Å; F144-L146 HydrophobicContact CE1-CB 3.62Å; F144-L146 HydrophobicContact CE1-CD1 4.21Å; F144-L146 HydrophobicContact CE1-CG 4.28Å; F144-L146 HydrophobicContact CZ-CB 4.39Å; F144-L146 HydrophobicContact CZ-CD1 4.38Å; F144-L146 PolarHBondContact O-N 3.35Å; F144-D147 HydrophobicContact CB-CB 4.28Å; F144-D147 PolarHBondContact N-OD2 3.16Å; F144-D147 VanDerWaalsContact O-CB 3.32Å; F144-D147 WeakPolarHBondContact O-CB 3.48Å; F144-D147 PolarHBondContact O-N 3.48Å; F144-W409 HydrophobicContact CE1-CZ2 4.35Å; F144-W409 HydrophobicContact CZ-CZ2 4.01Å
145T96.5Very high96.3Very high0 Ų038 Ų380%019%0.19CC..THydrogen-bonded Turntrans-57.8-26.6-174.452.30000114.1M81 D82 H83 L150 H411 W453M81-T145 PolarHBondContact O-N 3.01Å; M81-T145 VanDerWaalsContact O-N 3.16Å; D82-T145 HydrophobicContact CB-CG2 4.18Å; D82-T145 PolarHBondContact OD1-OG1 3.39Å; H83-T145 WeakPolarHBondContact CB-OG1 3.49Å; H83-T145 PolarHBondContact N-OG1 2.91Å; H83-T145 PolarHBondContact ND1-OG1 2.91Å; T145-L150 WeakPolarHBondContact O-CB 3.08Å; T145-H411 PolarHBondContact O-CE1 2.8Å; T145-H411 PolarHBondContact O-NE2 3.13Å; T145-W453 HydrophobicContact CG2-CE3 4.03Å; T145-W453 HydrophobicContact CG2-CZ3 3.62Å
146L96Very high96.2Very high20 Ų2040.6 Ų40.611%0.10520%0.201CC..THydrogen-bonded Turntrans-100.616.7173.5-63.3168.7000113.6H83 W116 F144 S151 W409H83-L146 HydrophobicContact CB-CD1 3.45Å; H83-L146 VanDerWaalsContact CB-CD1 3.45Å; H83-L146 HydrophobicContact CB-CG 3.69Å; W116-L146 HydrophobicContact CH2-CB 4.24Å; W116-L146 HydrophobicContact CZ2-CB 4.43Å; F144-L146 HydrophobicContact CD1-CB 3.96Å; F144-L146 HydrophobicContact CE1-CB 3.62Å; F144-L146 HydrophobicContact CE1-CD1 4.21Å; F144-L146 HydrophobicContact CE1-CG 4.28Å; F144-L146 HydrophobicContact CZ-CB 4.39Å; F144-L146 HydrophobicContact CZ-CD1 4.38Å; F144-L146 PolarHBondContact O-N 3.35Å; L146-S151 PolarHBondContact O-OG 3.16Å; L146-W409 HydrophobicContact CD1-CD2 4.03Å; L146-W409 HydrophobicContact CD1-CE3 4.27Å; L146-W409 HydrophobicContact CD1-CH2 3.75Å; L146-W409 HydrophobicContact CD1-CZ2 3.47Å; L146-W409 VanDerWaalsContact CD1-CZ2 3.47Å; L146-W409 HydrophobicContact CD1-CZ3 4.14Å
147D95.5Very high96.2Very high36 Ų3640.5 Ų40.519%0.19320%0.2CC..SBendtrans-67165.3169.974.740.8000111.3R143 F144 G149 L150 S151R143-D147 WeakPolarHBondContact CD-OD2 3.37Å; R143-D147 IonicContact NE-OD2 3.41Å; R143-D147 PolarHBondContact NE-OD2 2.9Å; F144-D147 HydrophobicContact CB-CB 4.28Å; F144-D147 PolarHBondContact N-OD2 3.16Å; F144-D147 VanDerWaalsContact O-CB 3.32Å; F144-D147 WeakPolarHBondContact O-CB 3.48Å; F144-D147 PolarHBondContact O-N 3.48Å; D147-G149 VanDerWaalsContact C-N 3.32Å; D147-G149 PolarHBondContact O-N 3.09Å; D147-G149 PolarHBondContact OD1-N 3.41Å; D147-G149 VanDerWaalsContact OD1-N 3.07Å; D147-L150 PolarHBondContact O-N 3.22Å; D147-L150 WeakPolarHBondContact OD1-CD1 3.43Å; D147-L150 PolarHBondContact OD1-N 3.48Å; D147-S151 WeakPolarHBondContact O-CB 3.39Å; D147-S151 PolarHBondContact O-N 3.28Å; D147-S151 PolarHBondContact O-OG 3.4Å
148E94.3Very high96.3Very high179 Ų17940.3 Ų40.384%0.83620%0.199SC*.Hα-helixtrans-59.4-42-174.8-174.2-178.5177.300112.5K152E148-K152 WeakPolarHBondContact O-CB 3.22Å; E148-K152 PolarHBondContact O-N 3.42Å
149G93.6Very high96.4Very high29 Ų2940.8 Ų40.830%0.29920%0.202SC..Hα-helixtrans-68.1-47.2-177.500000112.1D147 K152 A153D147-G149 VanDerWaalsContact C-N 3.32Å; D147-G149 PolarHBondContact O-N 3.09Å; D147-G149 PolarHBondContact OD1-N 3.41Å; D147-G149 VanDerWaalsContact OD1-N 3.07Å; G149-K152 WeakPolarHBondContact O-CB 3.45Å; G149-K152 PolarHBondContact O-N 2.64Å; G149-A153 PolarHBondContact O-N 3.42Å
150L96.1Very high96.5Very high4 Ų439.9 Ų39.92%0.02120%0.201CC..Hα-helixtrans-70-37.3178.1-87.769.1000111.4R143 T145 D147 K152 A153 V154 W453 S456R143-L150 HydrophobicContact CB-CD1 4.34Å; R143-L150 HydrophobicContact CG-CD1 4.37Å; T145-L150 WeakPolarHBondContact O-CB 3.08Å; D147-L150 PolarHBondContact O-N 3.22Å; D147-L150 WeakPolarHBondContact OD1-CD1 3.43Å; D147-L150 PolarHBondContact OD1-N 3.48Å; L150-K152 VanDerWaalsContact C-N 3.27Å; L150-K152 PolarHBondContact O-N 3.45Å; L150-A153 WeakPolarHBondContact O-CB 3.31Å; L150-A153 PolarHBondContact O-N 2.82Å; L150-A153 VanDerWaalsContact O-N 3.13Å; L150-V154 WeakPolarHBondContact O-CG2 3.07Å; L150-V154 PolarHBondContact O-N 2.87Å; L150-W453 HydrophobicContact CD2-CE3 3.69Å; L150-W453 HydrophobicContact CD2-CH2 4.43Å; L150-W453 HydrophobicContact CD2-CZ3 3.36Å; L150-S456 WeakPolarHBondContact CD1-O 3.27Å
151S96.3Very high96.7Very high25 Ų2536.5 Ų36.518%0.17518%0.177CC..Hα-helixtrans-60.6-38.5174.2-64.10000111.8L146 D147 V154 K155L146-S151 PolarHBondContact O-OG 3.16Å; D147-S151 WeakPolarHBondContact O-CB 3.39Å; D147-S151 PolarHBondContact O-N 3.28Å; D147-S151 PolarHBondContact O-OG 3.4Å; S151-V154 PolarHBondContact O-N 3.34Å; S151-K155 WeakPolarHBondContact O-CG 3.41Å; S151-K155 PolarHBondContact O-N 3.13Å; S151-K155 VanDerWaalsContact O-N 3.08Å
152K96.3Very high96.8Very high124 Ų12438.2 Ų38.254%0.53918%0.184SC..Hα-helixtrans-65.5-43.8173.7-173.1179.5-179.6-1790111.7E148 G149 L150 V154 K155 K156 P461E148-K152 WeakPolarHBondContact O-CB 3.22Å; E148-K152 PolarHBondContact O-N 3.42Å; G149-K152 WeakPolarHBondContact O-CB 3.45Å; G149-K152 PolarHBondContact O-N 2.64Å; L150-K152 VanDerWaalsContact C-N 3.27Å; L150-K152 PolarHBondContact O-N 3.45Å; K152-V154 VanDerWaalsContact C-N 3.34Å; K152-V154 PolarHBondContact O-N 3.44Å; K152-K155 PolarHBondContact O-N 3.27Å; K152-K156 PolarHBondContact O-N 2.91Å; K152-P461 HydrophobicContact CG-CG 4.3Å
153A97.3Very high96.8Very high0 Ų041.3 Ų41.30%020%0.202CC..Hα-helixtrans-56-48.5174.600000111.6G149 L150 K155 K156 V157 L452 W460G149-A153 PolarHBondContact O-N 3.42Å; L150-A153 WeakPolarHBondContact O-CB 3.31Å; L150-A153 PolarHBondContact O-N 2.82Å; L150-A153 VanDerWaalsContact O-N 3.13Å; A153-K155 PolarHBondContact O-N 2.95Å; A153-K156 PolarHBondContact O-N 3.49Å; A153-V157 VanDerWaalsContact O-CG2 3.24Å; A153-V157 WeakPolarHBondContact O-CG2 3.43Å; A153-V157 PolarHBondContact O-N 2.62Å; A153-L452 HydrophobicContact CB-CD1 4.15Å; A153-W460 HydrophobicContact CB-CE3 3.66Å; A153-W460 HydrophobicContact CB-CZ3 3.67Å
154V97.8Very high96.8Very high2 Ų244.4 Ų44.41%0.01222%0.217CC..Hα-helixtrans-61.4-45.7179.9171.80000112L150 S151 K152 K156 V157 F158 H411 L444 F448 L452L150-V154 WeakPolarHBondContact O-CG2 3.07Å; L150-V154 PolarHBondContact O-N 2.87Å; S151-V154 PolarHBondContact O-N 3.34Å; K152-V154 VanDerWaalsContact C-N 3.34Å; K152-V154 PolarHBondContact O-N 3.44Å; V154-K156 PolarHBondContact O-N 2.82Å; V154-V157 PolarHBondContact O-N 3.18Å; V154-F158 PolarHBondContact O-N 3.12Å; V154-H411 HydrophobicContact CG1-CB 3.91Å; V154-L444 HydrophobicContact CG1-CD1 3.45Å; V154-L444 VanDerWaalsContact CG1-CD1 3.45Å; V154-F448 HydrophobicContact CG1-CD1 3.98Å; V154-F448 HydrophobicContact CG1-CE1 4.07Å; V154-L452 HydrophobicContact CB-CD1 4.37Å; V154-L452 HydrophobicContact CG2-CD1 3.68Å
155K97.1Very high96.8Very high92 Ų9245.5 Ų45.540%0.423%0.232SC..Hα-helixtrans-59.3-48176.9-73.7178.5-172.3-178.40111.6S151 K152 A153 V157 F158 V159 P414S151-K155 WeakPolarHBondContact O-CG 3.41Å; S151-K155 PolarHBondContact O-N 3.13Å; S151-K155 VanDerWaalsContact O-N 3.08Å; K152-K155 PolarHBondContact O-N 3.27Å; A153-K155 PolarHBondContact O-N 2.95Å; K155-V157 VanDerWaalsContact C-N 3.34Å; K155-V157 PolarHBondContact O-N 3.38Å; K155-F158 PolarHBondContact O-N 3.43Å; K155-V159 VanDerWaalsContact O-CG2 3.29Å; K155-V159 WeakPolarHBondContact O-CG2 3.36Å; K155-V159 PolarHBondContact O-N 3.15Å; K155-P414 HydrophobicContact CG-CB 4.4Å
156K97.5Very high96.9Very high54 Ų5446.5 Ų46.524%0.23524%0.237CC..Hα-helixtrans-57-47.8177.6177.5173177.142.50111.7K152 A153 V154 F158 V159 D160 W460 P461K152-K156 PolarHBondContact O-N 2.91Å; A153-K156 PolarHBondContact O-N 3.49Å; V154-K156 PolarHBondContact O-N 2.82Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 PolarHBondContact O-N 2.91Å; K156-V159 PolarHBondContact O-N 2.85Å; K156-D160 WeakPolarHBondContact CE-OD2 3.11Å; K156-D160 WeakPolarHBondContact CG-OD2 3.35Å; K156-D160 IonicContact NZ-OD1 3.4Å; K156-D160 PolarHBondContact NZ-OD1 2.97Å; K156-D160 IonicContact NZ-OD2 2.78Å; K156-D160 PolarHBondContact NZ-OD2 2.89Å; K156-D160 WeakPolarHBondContact O-CB 3.44Å; K156-D160 VanDerWaalsContact O-CG 3.31Å; K156-D160 PolarHBondContact O-N 3.49Å; K156-W460 HydrophobicContact CD-CH2 4.14Å; K156-W460 HydrophobicContact CD-CZ2 4.34Å; K156-W460 HydrophobicContact CG-CH2 4.37Å; K156-P461 HydrophobicContact CD-CB 3.42Å; K156-P461 VanDerWaalsContact CD-CB 3.42Å; K156-P461 HydrophobicContact CD-CG 4.01Å
157V97.8Very high97Very high0 Ų045.6 Ų45.60%023%0.232CC..Hα-helixtrans-59.2-45.2180165.40000111.2A153 V154 K155 L161 F448 L452 W460 F498A153-V157 VanDerWaalsContact O-CG2 3.24Å; A153-V157 WeakPolarHBondContact O-CG2 3.43Å; A153-V157 PolarHBondContact O-N 2.62Å; V154-V157 PolarHBondContact O-N 3.18Å; K155-V157 VanDerWaalsContact C-N 3.34Å; K155-V157 PolarHBondContact O-N 3.38Å; V157-L161 HydrophobicContact CG1-CD1 3.98Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 VanDerWaalsContact O-CG 3.31Å; V157-L161 WeakPolarHBondContact O-CG 3.45Å; V157-L161 PolarHBondContact O-N 3.43Å; V157-F448 HydrophobicContact CB-CE1 4.48Å; V157-F448 HydrophobicContact CG1-CE1 3.9Å; V157-F448 HydrophobicContact CG1-CE2 4.44Å; V157-F448 HydrophobicContact CG1-CZ 3.64Å; V157-L452 HydrophobicContact CB-CD1 4.33Å; V157-L452 HydrophobicContact CB-CD2 4.48Å; V157-L452 HydrophobicContact CG1-CD2 4.38Å; V157-L452 HydrophobicContact CG2-CD1 3.79Å; V157-L452 HydrophobicContact CG2-CD2 3.58Å; V157-L452 HydrophobicContact CG2-CG 4.35Å; V157-W460 HydrophobicContact CG2-CH2 3.44Å; V157-W460 VanDerWaalsContact CG2-CH2 3.44Å; V157-W460 HydrophobicContact CG2-CZ3 3.62Å; V157-F498 HydrophobicContact CB-CE1 4.39Å; V157-F498 HydrophobicContact CB-CE2 4.14Å; V157-F498 HydrophobicContact CB-CZ 3.81Å; V157-F498 HydrophobicContact CG1-CE2 3.58Å; V157-F498 HydrophobicContact CG1-CZ 3.56Å; V157-F498 HydrophobicContact CG2-CD1 4.35Å; V157-F498 HydrophobicContact CG2-CD2 4.16Å; V157-F498 HydrophobicContact CG2-CE1 3.97Å; V157-F498 HydrophobicContact CG2-CE2 3.79Å; V157-F498 HydrophobicContact CG2-CG 4.43Å; V157-F498 HydrophobicContact CG2-CZ 3.67Å
158F98.4Very high97Very high0 Ų046.3 Ų46.30%023%0.233CC..Hα-helixtrans-60-50177.5-172.6-82000111.5V154 K155 K156 L161 Y162 I167 W359 I403 I413 P414 V426 L444 F448V154-F158 PolarHBondContact O-N 3.12Å; K155-F158 PolarHBondContact O-N 3.43Å; K156-F158 VanDerWaalsContact C-N 3.33Å; K156-F158 PolarHBondContact O-N 2.91Å; F158-L161 PolarHBondContact O-N 3.42Å; F158-Y162 VanDerWaalsContact O-CB 3.3Å; F158-Y162 WeakPolarHBondContact O-CB 3.4Å; F158-Y162 PolarHBondContact O-N 3.43Å; F158-I167 HydrophobicContact CB-CD1 4.48Å; F158-I167 HydrophobicContact CD2-CD1 3.75Å; F158-I167 HydrophobicContact CE1-CG2 4.48Å; F158-I167 HydrophobicContact CE2-CD1 4.14Å; F158-I167 HydrophobicContact CE2-CG2 4.03Å; F158-I167 HydrophobicContact CG-CD1 4.12Å; F158-I167 HydrophobicContact CZ-CG2 3.96Å; F158-W359 HydrophobicContact CE1-CH2 4.46Å; F158-W359 HydrophobicContact CE1-CZ3 4.31Å; F158-W359 HydrophobicContact CE2-CD2 4.47Å; F158-W359 HydrophobicContact CE2-CE3 4.41Å; F158-W359 AromaticContact CZ-CD2 3.87Å; F158-W359 HydrophobicContact CZ-CD2 3.87Å; F158-W359 AromaticContact CZ-CE3 3.69Å; F158-W359 HydrophobicContact CZ-CE3 3.69Å; F158-W359 HydrophobicContact CZ-CG 4.48Å; F158-W359 HydrophobicContact CZ-CH2 4.19Å; F158-W359 HydrophobicContact CZ-CZ2 4.37Å; F158-W359 AromaticContact CZ-CZ3 3.85Å; F158-W359 HydrophobicContact CZ-CZ3 3.85Å; F158-I403 HydrophobicContact CD2-CD1 4.13Å; F158-I403 HydrophobicContact CE2-CD1 3.8Å; F158-I413 HydrophobicContact CE1-CG2 4.08Å; F158-I413 HydrophobicContact CE2-CG2 3.9Å; F158-I413 HydrophobicContact CZ-CG2 3.52Å; F158-P414 HydrophobicContact CB-CG 3.9Å; F158-P414 HydrophobicContact CD1-CG 3.5Å; F158-P414 VanDerWaalsContact CD1-CG 3.5Å; F158-P414 HydrophobicContact CE1-CG 4.2Å; F158-P414 HydrophobicContact CG-CG 3.78Å; F158-V426 HydrophobicContact CD1-CG1 3.84Å; F158-V426 HydrophobicContact CE1-CG1 3.72Å; F158-V426 HydrophobicContact CE1-CG2 4.48Å; F158-L444 HydrophobicContact CD2-CD1 4.22Å; F158-L444 HydrophobicContact CD2-CD2 3.67Å; F158-L444 HydrophobicContact CE2-CD2 3.82Å; F158-F448 HydrophobicContact CB-CE1 4.33Å; F158-F448 HydrophobicContact CB-CZ 4.3Å; F158-F448 HydrophobicContact CD2-CZ 4.32Å
159V98.3Very high97Very high12 Ų1242.8 Ų42.87%0.07321%0.211CC..Hα-helixtrans-64-44.4-178.31740000111.3K155 K156 Y162 N163 P414 V426 E428K155-V159 VanDerWaalsContact O-CG2 3.29Å; K155-V159 WeakPolarHBondContact O-CG2 3.36Å; K155-V159 PolarHBondContact O-N 3.15Å; K156-V159 PolarHBondContact O-N 2.85Å; V159-Y162 PolarHBondContact O-N 2.93Å; V159-N163 WeakPolarHBondContact O-CB 3.42Å; V159-N163 PolarHBondContact O-N 3.49Å; V159-N163 PolarHBondContact O-ND2 3.4Å; V159-P414 HydrophobicContact CG2-CG 4.41Å; V159-V426 HydrophobicContact CG2-CG1 4.05Å; V159-E428 HydrophobicContact CB-CG 4.3Å; V159-E428 HydrophobicContact CG2-CG 3.95Å
160D97.7Very high96.9Very high40 Ų4042.3 Ų42.321%0.21421%0.207CC..Hα-helixtrans-63.1-45.6179.4-76.2-12.4000111.7K156 N163 K164 F498K156-D160 WeakPolarHBondContact CE-OD2 3.11Å; K156-D160 WeakPolarHBondContact CG-OD2 3.35Å; K156-D160 IonicContact NZ-OD1 3.4Å; K156-D160 PolarHBondContact NZ-OD1 2.97Å; K156-D160 IonicContact NZ-OD2 2.78Å; K156-D160 PolarHBondContact NZ-OD2 2.89Å; K156-D160 WeakPolarHBondContact O-CB 3.44Å; K156-D160 VanDerWaalsContact O-CG 3.31Å; K156-D160 PolarHBondContact O-N 3.49Å; D160-N163 PolarHBondContact O-N 2.96Å; D160-K164 WeakPolarHBondContact O-CG 3.38Å; D160-K164 PolarHBondContact O-N 3.14Å; D160-K164 VanDerWaalsContact O-N 3.1Å; D160-F498 HydrophobicContact CB-CE1 3.95Å
161L98Very high96.5Very high3 Ų347.1 Ų47.12%0.01623%0.229CC..Hα-helixtrans-70.6-32.6178.6-65.3176.4000112.3V157 F158 K164 G165 I166 I167 E497 F498V157-L161 HydrophobicContact CG1-CD1 3.98Å; V157-L161 WeakPolarHBondContact O-CB 3.43Å; V157-L161 VanDerWaalsContact O-CG 3.31Å; V157-L161 WeakPolarHBondContact O-CG 3.45Å; V157-L161 PolarHBondContact O-N 3.43Å; F158-L161 PolarHBondContact O-N 3.42Å; L161-K164 PolarHBondContact O-N 3.22Å; L161-G165 PolarHBondContact O-N 3.48Å; L161-I166 HydrophobicContact CB-CB 4.28Å; L161-I166 HydrophobicContact CB-CG2 4.47Å; L161-I166 HydrophobicContact CD2-CB 4.28Å; L161-I166 HydrophobicContact CD2-CD1 3.93Å; L161-I166 HydrophobicContact CD2-CG2 4.19Å; L161-I166 PolarHBondContact O-N 3.37Å; L161-I167 HydrophobicContact CB-CB 4.21Å; L161-I167 HydrophobicContact CB-CD1 3.65Å; L161-I167 HydrophobicContact CB-CG1 3.66Å; L161-I167 HydrophobicContact CD1-CD1 4.07Å; L161-I167 HydrophobicContact CD1-CG1 4.34Å; L161-I167 HydrophobicContact CG-CD1 4.47Å; L161-I167 PolarHBondContact O-N 3.26Å; L161-E497 HydrophobicContact CD2-CG 4.09Å; L161-F498 HydrophobicContact CD1-CE2 4.28Å; L161-F498 HydrophobicContact CD1-CZ 4.17Å; L161-F498 HydrophobicContact CD2-CE2 4.34Å; L161-F498 HydrophobicContact CD2-CZ 3.95Å; L161-F498 HydrophobicContact CG-CE2 4.34Å; L161-F498 HydrophobicContact CG-CZ 3.8Å
162Y98Very high96.1Very high73 Ų7350.2 Ų50.229%0.28624%0.237SC..Hα-helixtrans-64.1-47.8172.8175.7-101.5000111.1F158 V159 K164 G165 I167 W359 V426F158-Y162 VanDerWaalsContact O-CB 3.3Å; F158-Y162 WeakPolarHBondContact O-CB 3.4Å; F158-Y162 PolarHBondContact O-N 3.43Å; V159-Y162 PolarHBondContact O-N 2.93Å; Y162-K164 PolarHBondContact O-N 2.89Å; Y162-G165 PolarHBondContact O-N 3.46Å; Y162-I167 HydrophobicContact CD2-CG2 4.43Å; Y162-W359 HydrophobicContact CD2-CH2 4.35Å; Y162-W359 AromaticContact CD2-CZ3 3.8Å; Y162-W359 HydrophobicContact CD2-CZ3 3.8Å; Y162-W359 HydrophobicContact CE2-CH2 4.16Å; Y162-W359 AromaticContact CE2-CZ3 3.91Å; Y162-W359 HydrophobicContact CE2-CZ3 3.91Å; Y162-V426 HydrophobicContact CD1-CB 3.51Å; Y162-V426 HydrophobicContact CD1-CG1 3.66Å; Y162-V426 HydrophobicContact CD1-CG2 3.77Å; Y162-V426 HydrophobicContact CD2-CG2 4.1Å; Y162-V426 HydrophobicContact CE1-CB 3.59Å; Y162-V426 HydrophobicContact CE1-CG1 4.27Å; Y162-V426 HydrophobicContact CE1-CG2 3.58Å; Y162-V426 HydrophobicContact CE2-CG2 3.92Å; Y162-V426 HydrophobicContact CG-CB 4.07Å; Y162-V426 HydrophobicContact CG-CG1 3.87Å; Y162-V426 HydrophobicContact CG-CG2 4.01Å
163N97.5Very high95.8Very high113 Ų11345.4 Ų45.460%0.60422%0.217SC*.Hα-helixtrans-62.6-26.3177.6-70.7-26.7000112.8V159 D160 G165V159-N163 WeakPolarHBondContact O-CB 3.42Å; V159-N163 PolarHBondContact O-N 3.49Å; V159-N163 PolarHBondContact O-ND2 3.4Å; D160-N163 PolarHBondContact O-N 2.96Å; N163-G165 VanDerWaalsContact C-N 3.34Å
164K97.1Very high95.5Very high114 Ų11445.7 Ų45.750%0.49622%0.218SC..THydrogen-bonded Turntrans-81.2-7.4172.6-72.2172.6177.5177.50114.1D160 L161 Y162 I166 E497D160-K164 WeakPolarHBondContact O-CG 3.38Å; D160-K164 PolarHBondContact O-N 3.14Å; D160-K164 VanDerWaalsContact O-N 3.1Å; L161-K164 PolarHBondContact O-N 3.22Å; Y162-K164 PolarHBondContact O-N 2.89Å; K164-I166 HydrophobicContact CB-CD1 4.08Å; K164-I166 HydrophobicContact CB-CG1 4.11Å; K164-I166 HydrophobicContact CD-CD1 4.22Å; K164-I166 PolarHBondContact O-N 3.28Å; K164-E497 IonicContact NZ-OE1 3.76Å; K164-E497 PolarHBondContact NZ-OE1 3.45Å
165G96.6Very high95.2Very high35 Ų3547 Ų4736%0.36123%0.225SC..THydrogen-bonded Turntrans71.612.4-173.800000114.4L161 Y162 N163L161-G165 PolarHBondContact O-N 3.48Å; Y162-G165 PolarHBondContact O-N 3.46Å; N163-G165 VanDerWaalsContact C-N 3.34Å
166I97.4Very high95.1Very high21 Ų2142.8 Ų42.811%0.10821%0.207CC..SBendtrans-79.9-44.2175.4-66.9172.3000109.5L161 K164 V361 R362 L366L161-I166 HydrophobicContact CB-CB 4.28Å; L161-I166 HydrophobicContact CB-CG2 4.47Å; L161-I166 HydrophobicContact CD2-CB 4.28Å; L161-I166 HydrophobicContact CD2-CD1 3.93Å; L161-I166 HydrophobicContact CD2-CG2 4.19Å; L161-I166 PolarHBondContact O-N 3.37Å; K164-I166 HydrophobicContact CB-CD1 4.08Å; K164-I166 HydrophobicContact CB-CG1 4.11Å; K164-I166 HydrophobicContact CD-CD1 4.22Å; K164-I166 PolarHBondContact O-N 3.28Å; I166-V361 HydrophobicContact CG2-CG1 3.93Å; I166-R362 PolarHBondContact O-N 2.99Å; I166-L366 HydrophobicContact CG2-CD1 4.18Å
167I97.9Very high94.8Very high2 Ų240.2 Ų40.21%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-84.4130.2166.8-73.9175.5000108.9F158 L161 Y162 W359 F360 V361 I403 F448F158-I167 HydrophobicContact CB-CD1 4.48Å; F158-I167 HydrophobicContact CD2-CD1 3.75Å; F158-I167 HydrophobicContact CE1-CG2 4.48Å; F158-I167 HydrophobicContact CE2-CD1 4.14Å; F158-I167 HydrophobicContact CE2-CG2 4.03Å; F158-I167 HydrophobicContact CG-CD1 4.12Å; F158-I167 HydrophobicContact CZ-CG2 3.96Å; L161-I167 HydrophobicContact CB-CB 4.21Å; L161-I167 HydrophobicContact CB-CD1 3.65Å; L161-I167 HydrophobicContact CB-CG1 3.66Å; L161-I167 HydrophobicContact CD1-CD1 4.07Å; L161-I167 HydrophobicContact CD1-CG1 4.34Å; L161-I167 HydrophobicContact CG-CD1 4.47Å; L161-I167 PolarHBondContact O-N 3.26Å; Y162-I167 HydrophobicContact CD2-CG2 4.43Å; I167-W359 HydrophobicContact CG2-CE3 3.6Å; I167-W359 HydrophobicContact CG2-CZ3 3.95Å; I167-F360 VanDerWaalsContact CA-O 3.29Å; I167-F360 WeakPolarHBondContact CA-O 3.42Å; I167-V361 HydrophobicContact CD1-CG2 4.31Å; I167-V361 HydrophobicContact CG1-CG2 3.78Å; I167-I403 HydrophobicContact CD1-CD1 3.78Å; I167-I403 HydrophobicContact CG1-CD1 4.04Å; I167-I403 HydrophobicContact CG2-CD1 4.26Å; I167-F448 HydrophobicContact CD1-CE2 4.05Å; I167-F448 HydrophobicContact CD1-CZ 3.93Å
168Y96.1Very high94.6Very high51 Ų5140.8 Ų40.820%0.220%0.2CC..EExtended strand (participates in β ladder)trans-142.5160.2175.669.4-84.4000110.9R172 W359 F360 R362 D400Y168-R172 PolarHBondContact OH-NE 2.86Å; Y168-R172 PolarHBondContact OH-NH2 2.85Å; Y168-W359 WeakPolarHBondContact O-CA 3.47Å; Y168-F360 HydrophobicContact CD1-CB 4.27Å; Y168-F360 HydrophobicContact CE1-CB 3.71Å; Y168-F360 HydrophobicContact CE2-CB 4.09Å; Y168-F360 HydrophobicContact CE2-CD2 4.04Å; Y168-F360 HydrophobicContact CE2-CG 4.33Å; Y168-F360 PolarHBondContact N-O 2.77Å; Y168-F360 PolarHBondContact O-N 3.31Å; Y168-R362 HydrophobicContact CE1-CB 4.34Å; Y168-D400 PolarHBondContact OH-OD2 2.83Å
169R94.7Very high94.1Very high104 Ų10448.1 Ų48.139%0.39223%0.232SC..EExtended strand (participates in β ladder)trans-107.7131.9173.8-164.6-179.6-175.3-143.16108.8T357 Q358 W359 Y417R169-T357 HydrophobicContact CG-CG2 3.78Å; R169-Q358 WeakPolarHBondContact CA-O 3.48Å; R169-W359 HydrophobicContact CB-CD2 4.04Å; R169-W359 HydrophobicContact CB-CE3 3.92Å; R169-W359 HydrophobicContact CB-CH2 4.26Å; R169-W359 HydrophobicContact CB-CZ2 4.35Å; R169-W359 HydrophobicContact CB-CZ3 4.04Å; R169-W359 HydrophobicContact CG-CD2 4.18Å; R169-W359 HydrophobicContact CG-CZ2 4.46Å; R169-Y417 VanDerWaalsContact CZ-CZ 3.42Å; R169-Y417 PolarHBondContact NE-OH 2.83Å; R169-Y417 PolarHBondContact NH1-OH 2.99Å; R169-Y417 PolarHBondContact NH2-OH 3.23Å
170G91.1Very high93.5Very high20 Ų2048.7 Ų48.721%0.20624%0.238CC..EExtended strand (participates in β ladder)trans-161.1167.6-178.200000112.7T357 Q358 F360G170-T357 WeakPolarHBondContact O-CA 3.33Å; G170-Q358 PolarHBondContact N-O 3.07Å; G170-Q358 PolarHBondContact O-N 3.28Å; G170-F360 WeakPolarHBondContact O-CE2 3.32Å
171E88.3Confident93.1Very high105 Ų10550.9 Ų50.949%0.49124%0.243SC..EExtended strand (participates in β ladder)trans-89.5127.7171.4-69.5-174146.300109.8F282 L355 T357E171-F282 WeakPolarHBondContact O-CZ 3.34Å; E171-L355 HydrophobicContact CB-CD1 4.03Å; E171-T357 WeakPolarHBondContact CG-OG1 3.32Å
172R86.9Confident92.6Very high90 Ų9050.7 Ų50.734%0.3424%0.242SC..EExtended strand (participates in β ladder)trans-144.9162.2168.3-69.8-168.1172.9-172.64.4109.9Y168 I174 F282 S356 F360 D400Y168-R172 PolarHBondContact OH-NE 2.86Å; Y168-R172 PolarHBondContact OH-NH2 2.85Å; R172-I174 PolarHBondContact O-N 2.88Å; R172-F282 HydrophobicContact CG-CE1 4.45Å; R172-S356 PolarHBondContact N-O 3.5Å; R172-S356 PolarHBondContact O-N 3.1Å; R172-S356 VanDerWaalsContact O-N 3.11Å; R172-F360 HydrophobicContact CB-CE1 4.28Å; R172-F360 HydrophobicContact CB-CE2 4.42Å; R172-F360 HydrophobicContact CB-CZ 3.74Å; R172-F360 HydrophobicContact CG-CE1 4.44Å; R172-F360 HydrophobicContact CG-CE2 4.33Å; R172-F360 HydrophobicContact CG-CZ 4Å; R172-D400 IonicContact CZ-OD2 2.8Å; R172-D400 IonicContact NH1-OD2 3.57Å; R172-D400 PolarHBondContact NH1-OD2 3.48Å; R172-D400 IonicContact NH2-OD2 3.31Å; R172-D400 PolarHBondContact NH2-OD2 2.84Å
173I91.3Very high92.3Very high23 Ų2347.2 Ų47.212%0.11823%0.228CC..EExtended strand (participates in β ladder)trans-70120.6162.3-61.7-65000108.5P275 A276 P279 F282 P353 Y354 L355I173-P275 WeakPolarHBondContact CD1-O 3.27Å; I173-A276 WeakPolarHBondContact CD1-O 3.47Å; I173-P279 HydrophobicContact CB-CB 4.28Å; I173-P279 HydrophobicContact CB-CG 4.27Å; I173-P279 HydrophobicContact CG2-CB 4.21Å; I173-P279 HydrophobicContact CG2-CG 3.65Å; I173-F282 HydrophobicContact CD1-CB 4.46Å; I173-F282 HydrophobicContact CG1-CB 3.54Å; I173-F282 HydrophobicContact CG1-CD2 4.32Å; I173-F282 HydrophobicContact CG1-CG 3.92Å; I173-P353 HydrophobicContact CG2-CB 3.48Å; I173-P353 VanDerWaalsContact CG2-CB 3.48Å; I173-Y354 WeakPolarHBondContact CA-O 3.37Å; I173-L355 HydrophobicContact CD1-CB 3.9Å; I173-L355 HydrophobicContact CD1-CD1 4.36Å
174I90.6Very high91.7Very high5 Ų542 Ų423%0.02620%0.2CC..EExtended strand (participates in β ladder)trans-112.1159.1175.357.3157.9000110.1R172 W176 A183 P353 Y354 Q358 F360 T402R172-I174 PolarHBondContact O-N 2.88Å; I174-W176 HydrophobicContact CD1-CE3 3.78Å; I174-W176 HydrophobicContact CD1-CZ3 4.41Å; I174-W176 PolarHBondContact O-N 3.26Å; I174-A183 HydrophobicContact CD1-CB 3.47Å; I174-A183 VanDerWaalsContact CD1-CB 3.47Å; I174-P353 WeakPolarHBondContact O-CA 3.49Å; I174-Y354 WeakPolarHBondContact CG1-O 3.37Å; I174-Y354 PolarHBondContact N-O 3.44Å; I174-Y354 PolarHBondContact O-N 2.91Å; I174-Q358 HydrophobicContact CD1-CG 4.01Å; I174-Q358 HydrophobicContact CG2-CG 4.09Å; I174-F360 HydrophobicContact CG2-CE1 4.34Å; I174-F360 HydrophobicContact CG2-CZ 4.09Å; I174-T402 HydrophobicContact CG2-CG2 4.31Å
175N91.4Very high90.9Very high30 Ų3036.9 Ų36.916%0.1618%0.179CC..EExtended strand (participates in β ladder)trans-74113.4165.1-64.6-43.8000108.1A183 L184 D186 V189 V351N175-A183 CarbonylContact O-C 3.56Å; N175-A183 WeakPolarHBondContact O-CA 3.45Å; N175-L184 HydrophobicContact CB-CB 3.97Å; N175-L184 PolarHBondContact O-N 3.43Å; N175-D186 PolarHBondContact ND2-OD1 3.49Å; N175-V189 HydrophobicContact CB-CG2 3.75Å; N175-V351 HydrophobicContact CB-CG1 3.56Å
176W94.2Very high90.2Very high3 Ų339.7 Ų39.71%0.01119%0.186CC..EExtended strand (participates in β ladder)trans-108.2132.5179.2-177.4-101000110.9I174 P178 R181 E298 V351 E352 Y354 Q406I174-W176 HydrophobicContact CD1-CE3 3.78Å; I174-W176 HydrophobicContact CD1-CZ3 4.41Å; I174-W176 PolarHBondContact O-N 3.26Å; W176-P178 VanDerWaalsContact O-CD 3.28Å; W176-P178 WeakPolarHBondContact O-CD 3.34Å; W176-R181 VanDerWaalsContact CH2-C 3.44Å; W176-R181 WeakPolarHBondContact CH2-O 3.35Å; W176-R181 VanDerWaalsContact CZ2-CA 3.46Å; W176-R181 HydrophobicContact CZ2-CB 3.92Å; W176-E298 HydrophobicContact CH2-CG 4.49Å; W176-E298 HydrophobicContact CZ2-CB 3.83Å; W176-E298 HydrophobicContact CZ2-CG 3.93Å; W176-E298 PolarHBondContact NE1-O 2.86Å; W176-V351 WeakPolarHBondContact O-CA 3.4Å; W176-E352 HydrophobicContact CB-CB 4.35Å; W176-E352 VanDerWaalsContact CB-O 3.29Å; W176-E352 WeakPolarHBondContact CB-O 3.24Å; W176-E352 PolarHBondContact N-O 3.34Å; W176-E352 PolarHBondContact O-N 3.18Å; W176-Y354 HydrophobicContact CB-CG 4.39Å; W176-Y354 HydrophobicContact CG-CG 4.44Å; W176-Q406 HydrophobicContact CH2-CB 4.32Å; W176-Q406 HydrophobicContact CH2-CG 3.99Å; W176-Q406 HydrophobicContact CZ3-CG 4.11Å; W176-Q406 VanDerWaalsContact CZ3-OE1 3.25Å
177D92.6Very high89.2Confident1 Ų141.3 Ų41.31%0.00519%0.194CC..EExtended strand (participates in β ladder)trans-91105.3169-173.3-32000109.3K179 A180 R181 T182 L184 S344 S347D177-K179 PolarHBondContact O-N 3.33Å; D177-K179 WeakPolarHBondContact OD1-CA 3.42Å; D177-K179 WeakPolarHBondContact OD1-CB 3.37Å; D177-K179 PolarHBondContact OD1-N 3.47Å; D177-A180 HydrophobicContact CB-CB 4.04Å; D177-A180 PolarHBondContact O-N 3.07Å; D177-A180 PolarHBondContact OD1-N 3.48Å; D177-R181 WeakPolarHBondContact O-CA 2.93Å; D177-R181 PolarHBondContact O-N 3.29Å; D177-T182 PolarHBondContact N-O 3.03Å; D177-T182 PolarHBondContact O-N 2.88Å; D177-L184 HydrophobicContact CB-CD1 4.05Å; D177-L184 HydrophobicContact CB-CD2 4.35Å; D177-L184 HydrophobicContact CB-CG 4.17Å; D177-S344 WeakPolarHBondContact OD2-CB 3.48Å; D177-S344 PolarHBondContact OD2-OG 3.35Å; D177-S347 VanDerWaalsContact CG-OG 3.24Å; D177-S347 PolarHBondContact OD1-OG 3.38Å; D177-S347 WeakPolarHBondContact OD2-CB 3.36Å; D177-S347 PolarHBondContact OD2-OG 3.37Å
178P93.1Very high88.3Confident12 Ų1241.7 Ų41.78%0.07820%0.196CC..THydrogen-bonded Turntrans-69.7-19-176.5-14.829.9000113.3W176 E352W176-P178 VanDerWaalsContact O-CD 3.28Å; W176-P178 WeakPolarHBondContact O-CD 3.34Å; P178-E352 HydrophobicContact CG-CB 4.07Å
179K88.1Confident87.9Confident154 Ų15439.9 Ų39.967%0.6719%0.19SC*.THydrogen-bonded Turntrans-85.3-43.9-179.8-177.9176.3171.8-172.40111D177 S347 A349D177-K179 PolarHBondContact O-N 3.33Å; D177-K179 WeakPolarHBondContact OD1-CA 3.42Å; D177-K179 WeakPolarHBondContact OD1-CB 3.37Å; D177-K179 PolarHBondContact OD1-N 3.47Å; K179-S347 PolarHBondContact NZ-O 2.9Å; K179-A349 HydrophobicContact CB-CB 3.87Å; K179-A349 HydrophobicContact CD-CB 4.48Å
180A84.2Confident87.4Confident24 Ų2439 Ų3920%0.19819%0.192CC..THydrogen-bonded Turntrans-83.2-16.6176.100000113.2D177 T182D177-A180 HydrophobicContact CB-CB 4.04Å; D177-A180 PolarHBondContact O-N 3.07Å; D177-A180 PolarHBondContact OD1-N 3.48Å; A180-T182 HydrophobicContact CB-CG2 3.96Å
181R89.3Confident87.4Confident85 Ų8543.6 Ų43.632%0.32121%0.208SC..THydrogen-bonded Turntrans54.356.9-174.8-59.7179.8-179.9175.5-4.6112.3Y104 W176 D177 N299 Q406Y104-R181 PolarHBondContact OH-NH1 3.29Å; W176-R181 VanDerWaalsContact CH2-C 3.44Å; W176-R181 WeakPolarHBondContact CH2-O 3.35Å; W176-R181 VanDerWaalsContact CZ2-CA 3.46Å; W176-R181 HydrophobicContact CZ2-CB 3.92Å; D177-R181 WeakPolarHBondContact O-CA 2.93Å; D177-R181 PolarHBondContact O-N 3.29Å; R181-N299 PolarHBondContact NE-OD1 2.95Å; R181-N299 PolarHBondContact NH2-OD1 2.84Å; R181-Q406 WeakPolarHBondContact O-CB 3.39Å
182T89Confident87.5Confident0 Ų043.5 Ų43.50%021%0.208CC..EExtended strand (participates in β ladder)trans-151.8151.3178.1-177.50000111.5I86 D177 A180 Q406 L407I86-T182 HydrophobicContact CD1-CG2 3.63Å; I86-T182 HydrophobicContact CG1-CG2 4.42Å; D177-T182 PolarHBondContact N-O 3.03Å; D177-T182 PolarHBondContact O-N 2.88Å; A180-T182 HydrophobicContact CB-CG2 3.96Å; T182-Q406 PolarHBondContact OG1-N 2.92Å; T182-L407 HydrophobicContact CG2-CD2 4.32Å
183A90.2Very high87.7Confident0 Ų045.7 Ų45.70%023%0.226CC..EExtended strand (participates in β ladder)trans-60.4147.5165.500000111.5I174 N175 T402 R405I174-A183 HydrophobicContact CD1-CB 3.47Å; I174-A183 VanDerWaalsContact CD1-CB 3.47Å; N175-A183 CarbonylContact O-C 3.56Å; N175-A183 WeakPolarHBondContact O-CA 3.45Å; A183-T402 HydrophobicContact CB-CG2 4.39Å; A183-R405 WeakPolarHBondContact O-CD 3.29Å; A183-R405 PolarHBondContact O-NE 2.75Å
184L85.8Confident87.6Confident2 Ų247.1 Ų47.11%0.0124%0.236CC..EExtended strand (participates in β ladder)trans-122.8147.3173.4-58.2-179.7000109I86 N175 D177 E188 V189 V351I86-L184 HydrophobicContact CD1-CD2 3.92Å; N175-L184 HydrophobicContact CB-CB 3.97Å; N175-L184 PolarHBondContact O-N 3.43Å; D177-L184 HydrophobicContact CB-CD1 4.05Å; D177-L184 HydrophobicContact CB-CD2 4.35Å; D177-L184 HydrophobicContact CB-CG 4.17Å; L184-E188 HydrophobicContact CB-CB 4.24Å; L184-V189 HydrophobicContact CB-CG2 4.42Å; L184-V189 HydrophobicContact CD1-CG2 4.36Å; L184-V351 HydrophobicContact CD1-CG2 3.87Å
185S81Confident87.6Confident8 Ų852.6 Ų52.66%0.05626%0.261CS..  trans-76.2158.4165.8640000111.2I187 E188S185-I187 PolarHBondContact O-N 3.33Å; S185-I187 VanDerWaalsContact O-N 3.1Å; S185-E188 WeakPolarHBondContact CB-OE2 3.23Å; S185-E188 PolarHBondContact N-OE2 3.22Å; S185-E188 WeakPolarHBondContact O-CB 3.36Å; S185-E188 PolarHBondContact O-N 3.37Å; S185-E188 WeakPolarHBondContact OG-CG 3.31Å; S185-E188 PolarHBondContact OG-OE2 2.9Å
186D80.5Confident87.5Confident93 Ų9352.2 Ų52.250%0.49726%0.264SS..G310 helixtrans-53.6-33.1179.1-70-20.9000113.3N175 E188 V189N175-D186 PolarHBondContact ND2-OD1 3.49Å; D186-E188 VanDerWaalsContact C-N 3.35Å; D186-V189 PolarHBondContact O-N 3.36Å
187I76.1Confident87.5Confident56 Ų5652.7 Ų52.729%0.28727%0.269SS..G310 helixtrans-80.6-17.7-177.7-45.5-178.1000111.8S185 V189 W394 F485 F486S185-I187 PolarHBondContact O-N 3.33Å; S185-I187 VanDerWaalsContact O-N 3.1Å; I187-V189 PolarHBondContact O-N 3.16Å; I187-W394 HydrophobicContact CD1-CZ2 3.75Å; I187-F485 HydrophobicContact CD1-CB 3.66Å; I187-F486 HydrophobicContact CB-CD1 4.17Å; I187-F486 HydrophobicContact CB-CE1 3.41Å; I187-F486 VanDerWaalsContact CB-CE1 3.41Å; I187-F486 HydrophobicContact CB-CE2 4.34Å; I187-F486 HydrophobicContact CB-CZ 3.56Å; I187-F486 HydrophobicContact CG2-CD1 4.1Å; I187-F486 HydrophobicContact CG2-CD2 4.09Å; I187-F486 HydrophobicContact CG2-CE1 3.4Å; I187-F486 HydrophobicContact CG2-CE2 3.37Å; I187-F486 HydrophobicContact CG2-CG 4.43Å; I187-F486 HydrophobicContact CG2-CZ 3.01Å; I187-F486 WeakPolarHBondContact O-CZ 3.31Å
188E79.9Confident87.5Confident10 Ų1053.4 Ų53.45%0.04727%0.272CS..G310 helixtrans-81.10.5174.2-68.5170.411600112.7L184 S185 D186 E345 R405 F486L184-E188 HydrophobicContact CB-CB 4.24Å; S185-E188 WeakPolarHBondContact CB-OE2 3.23Å; S185-E188 PolarHBondContact N-OE2 3.22Å; S185-E188 WeakPolarHBondContact O-CB 3.36Å; S185-E188 PolarHBondContact O-N 3.37Å; S185-E188 WeakPolarHBondContact OG-CG 3.31Å; S185-E188 PolarHBondContact OG-OE2 2.9Å; D186-E188 VanDerWaalsContact C-N 3.35Å; E188-E345 WeakPolarHBondContact O-CB 3.46Å; E188-E345 PolarHBondContact O-N 3.4Å; E188-R405 IonicContact OE2-CZ 3.64Å; E188-R405 IonicContact OE2-NE 2.68Å; E188-R405 IonicContact OE2-NH2 3.88Å; E188-R405 PolarHBondContact OE2-NH2 3.43Å; E188-F486 HydrophobicContact CG-CE1 4.17Å
189V87Confident87.7Confident13 Ų1354.5 Ų54.58%0.07928%0.275CS..EExtended strand (participates in β ladder)trans-103.8113.9-179.9-175.60000110.7N175 L184 D186 I187 H343 V351N175-V189 HydrophobicContact CB-CG2 3.75Å; L184-V189 HydrophobicContact CB-CG2 4.42Å; L184-V189 HydrophobicContact CD1-CG2 4.36Å; D186-V189 PolarHBondContact O-N 3.36Å; I187-V189 PolarHBondContact O-N 3.16Å; V189-H343 WeakPolarHBondContact CA-O 3.49Å; V189-V351 HydrophobicContact CG1-CB 4.49Å; V189-V351 HydrophobicContact CG1-CG2 4.03Å; V189-V351 HydrophobicContact CG2-CG1 4.41Å; V189-V351 HydrophobicContact CG2-CG2 4.1Å
190I86Confident88.1Confident84 Ų8447.3 Ų47.343%0.43124%0.243SC..EExtended strand (participates in β ladder)trans-90.2125.1174.4-58.9-179000109E192 G342 H343 E345I190-E192 HydrophobicContact CG2-CG 4.44Å; I190-G342 CarbonylContact O-C 3.56Å; I190-H343 PolarHBondContact N-O 3Å; I190-H343 PolarHBondContact O-N 3.09Å; I190-E345 HydrophobicContact CD1-CB 3.96Å; I190-E345 HydrophobicContact CD1-CG 3.88Å; I190-E345 HydrophobicContact CG1-CB 4.12Å; I190-E345 HydrophobicContact CG1-CG 4.48Å
191H90.6Very high88.7Confident117 Ų11746.1 Ų46.154%0.54223%0.234SC..EExtended strand (participates in β ladder)trans-90.9125.7178.6-75.879.5000110.9S340 V341H191-S340 WeakPolarHBondContact CB-OG 3.42Å; H191-S340 PolarHBondContact CD2-OG 3.4Å; H191-V341 WeakPolarHBondContact CA-O 3.12Å
192E89.7Confident89.1Confident104 Ų10444 Ų4449%0.48623%0.227SC..EExtended strand (participates in β ladder)trans-120.7139.7177.4-59.7-173.117800110.3I190 V194 V341I190-E192 HydrophobicContact CG2-CG 4.44Å; E192-V194 PolarHBondContact O-N 3.42Å; E192-V341 PolarHBondContact N-O 3.38Å; E192-V341 PolarHBondContact O-N 2.92Å
193D91Very high89.5Confident136 Ų13644 Ų4473%0.72723%0.227SC*.EExtended strand (participates in β ladder)trans-73.2112.2174.4-73-24.7000109.9V338D193-V338 HydrophobicContact CB-CG1 4.04Å
194V89.1Confident89.8Confident53 Ų5346.1 Ų46.132%0.32124%0.241SC..EExtended strand (participates in β ladder)trans-112.5132.4-179.5-179.20000109.9E192 G196 V338 H339 V341E192-V194 PolarHBondContact O-N 3.42Å; V194-G196 PolarHBondContact O-N 3.2Å; V194-G196 VanDerWaalsContact O-N 3.1Å; V194-V338 WeakPolarHBondContact O-CA 3.39Å; V194-H339 PolarHBondContact N-O 3.39Å; V194-H339 PolarHBondContact O-N 2.87Å; V194-H339 VanDerWaalsContact O-N 3.14Å; V194-V341 HydrophobicContact CB-CB 4.38Å; V194-V341 HydrophobicContact CB-CG2 3.81Å; V194-V341 HydrophobicContact CG2-CB 3.88Å; V194-V341 HydrophobicContact CG2-CG2 3.89Å
195Q90.2Very high90.3Very high120 Ų12047.2 Ų47.256%0.56125%0.245SC*.EExtended strand (participates in β ladder)trans-70.8104.7170.3-17466.151.300109.3
196G90.3Very high90.9Very high21 Ų2148.6 Ų48.622%0.21626%0.257CS..EExtended strand (participates in β ladder)trans-113.9-156.7173.800000112.4V194 H337V194-G196 PolarHBondContact O-N 3.2Å; V194-G196 VanDerWaalsContact O-N 3.1Å; G196-H337 CarbonylContact C-O 3.59Å; G196-H337 VanDerWaalsContact CA-O 3.3Å; G196-H337 WeakPolarHBondContact CA-O 3.36Å; G196-H337 PolarHBondContact N-O 2.62Å; G196-H337 PolarHBondContact O-N 3.23Å
197A93.3Very high91.5Very high14 Ų1448.2 Ų48.212%0.11626%0.255CS..EExtended strand (participates in β ladder)trans-138.9152176.200000110.6Y199 I334 E335A197-Y199 HydrophobicContact CB-CD2 4.4Å; A197-Y199 HydrophobicContact CB-CE1 4.33Å; A197-Y199 HydrophobicContact CB-CE2 3.72Å; A197-Y199 WeakPolarHBondContact O-CD2 3.38Å; A197-Y199 WeakPolarHBondContact O-CE2 3.48Å; A197-I334 HydrophobicContact CB-CG2 3.81Å; A197-E335 CarbonylContact C-O 3.45Å; A197-E335 WeakPolarHBondContact CA-O 3.12Å; A197-E335 WeakPolarHBondContact CB-O 3.45Å
198F94.1Very high92Very high16 Ų1648.6 Ų48.67%0.0727%0.273CS..EExtended strand (participates in β ladder)trans-111.3116.1174.5-164.9-136.4000108.7H200 A215 T217 F266 I334 E335 H337F198-H200 AromaticContact CD1-NE2 3.37Å; F198-H200 WeakPolarHBondContact CD1-NE2 3.36Å; F198-H200 AromaticContact CE1-NE2 3.65Å; F198-A215 HydrophobicContact CD1-CB 4.45Å; F198-A215 HydrophobicContact CE1-CB 3.66Å; F198-A215 HydrophobicContact CE2-CB 3.89Å; F198-A215 HydrophobicContact CZ-CB 3.33Å; F198-T217 HydrophobicContact CD2-CG2 3.72Å; F198-T217 HydrophobicContact CE2-CG2 4.3Å; F198-F266 HydrophobicContact CE1-CZ 4.43Å; F198-F266 HydrophobicContact CE2-CE1 4.12Å; F198-F266 HydrophobicContact CE2-CZ 4.2Å; F198-F266 HydrophobicContact CZ-CD1 4.39Å; F198-F266 AromaticContact CZ-CE1 3.64Å; F198-F266 HydrophobicContact CZ-CE1 3.64Å; F198-F266 AromaticContact CZ-CZ 3.79Å; F198-F266 HydrophobicContact CZ-CZ 3.79Å; F198-I334 WeakPolarHBondContact O-CA 3.18Å; F198-E335 PolarHBondContact N-O 3.2Å; F198-E335 PolarHBondContact O-N 2.94Å; F198-H337 HydrophobicContact CB-CB 3.81Å
199Y96.2Very high92.3Very high34 Ų3455.4 Ų55.413%0.13331%0.305CS..EExtended strand (participates in β ladder)trans-103.7132.1-168.7-57.4-99.4000109.8A197 F201 A215 T216 P219 V322 I334A197-Y199 HydrophobicContact CB-CD2 4.4Å; A197-Y199 HydrophobicContact CB-CE1 4.33Å; A197-Y199 HydrophobicContact CB-CE2 3.72Å; A197-Y199 WeakPolarHBondContact O-CD2 3.38Å; A197-Y199 WeakPolarHBondContact O-CE2 3.48Å; Y199-F201 HydrophobicContact CD1-CE1 4.48Å; Y199-F201 HydrophobicContact CD1-CZ 4.01Å; Y199-F201 HydrophobicContact CG-CE2 4.43Å; Y199-F201 AromaticContact CG-CZ 3.92Å; Y199-F201 HydrophobicContact CG-CZ 3.92Å; Y199-A215 CarbonylContact O-C 3.58Å; Y199-A215 VanDerWaalsContact O-CA 3.26Å; Y199-A215 WeakPolarHBondContact O-CA 3.42Å; Y199-T216 WeakPolarHBondContact CD2-O 3.33Å; Y199-T216 PolarHBondContact N-O 3.11Å; Y199-T216 PolarHBondContact O-N 2.87Å; Y199-P219 HydrophobicContact CD1-CG 3.94Å; Y199-P219 HydrophobicContact CD2-CG 3.38Å; Y199-P219 HydrophobicContact CE1-CG 4.18Å; Y199-P219 HydrophobicContact CE2-CG 3.64Å; Y199-P219 HydrophobicContact CG-CG 3.55Å; Y199-V322 HydrophobicContact CD1-CG1 4.27Å; Y199-V322 HydrophobicContact CD1-CG2 3.82Å; Y199-V322 HydrophobicContact CE1-CB 4.47Å; Y199-V322 HydrophobicContact CE1-CG1 4.06Å; Y199-V322 HydrophobicContact CE1-CG2 3.61Å; Y199-I334 HydrophobicContact CD1-CB 4.4Å; Y199-I334 HydrophobicContact CD1-CD1 3.78Å; Y199-I334 HydrophobicContact CD1-CG1 3.79Å; Y199-I334 HydrophobicContact CD1-CG2 3.81Å; Y199-I334 HydrophobicContact CE1-CD1 3.96Å; Y199-I334 HydrophobicContact CE1-CG1 4.34Å; Y199-I334 HydrophobicContact CE1-CG2 3.81Å; Y199-I334 HydrophobicContact CG-CG2 4.47Å
200H97.4Very high92.6Very high3 Ų356.9 Ų56.91%0.01432%0.323CS..EExtended strand (participates in β ladder)trans-111.9118.1177.3-68-112.1000109.7F198 E213 I214 I332 K333 E335F198-H200 AromaticContact CD1-NE2 3.37Å; F198-H200 WeakPolarHBondContact CD1-NE2 3.36Å; F198-H200 AromaticContact CE1-NE2 3.65Å; H200-E213 HydrophobicContact CB-CG 4.48Å; H200-E213 IonicContact CE1-OE1 3.92Å; H200-E213 IonicContact CG-OE1 2.78Å; H200-E213 IonicContact ND1-OE1 3.47Å; H200-E213 PolarHBondContact ND1-OE1 2.9Å; H200-I214 CarbonylContact C-O 3.55Å; H200-I214 WeakPolarHBondContact CA-O 3.31Å; H200-I332 HydrophobicContact CB-CB 4.09Å; H200-I332 PolarHBondContact O-N 3.41Å; H200-K333 HydrophobicContact CB-CG 3.69Å; H200-K333 WeakPolarHBondContact CE1-CE 3.32Å; H200-K333 PolarHBondContact N-O 3.35Å; H200-K333 WeakPolarHBondContact ND1-CE 3.38Å; H200-K333 WeakPolarHBondContact NE2-CE 3.3Å; H200-E335 IonicContact NE2-OE2 3.04Å
201F97.2Very high93Very high0 Ų057.4 Ų57.40%032%0.322CS..EExtended strand (participates in β ladder)trans-118.7149.9-175.1-57.6-52000112.3Y199 Y203 E213 I214 T216 P219 V322 L325 L330 V331Y199-F201 HydrophobicContact CD1-CE1 4.48Å; Y199-F201 HydrophobicContact CD1-CZ 4.01Å; Y199-F201 HydrophobicContact CG-CE2 4.43Å; Y199-F201 AromaticContact CG-CZ 3.92Å; Y199-F201 HydrophobicContact CG-CZ 3.92Å; F201-Y203 HydrophobicContact CB-CD2 4.45Å; F201-Y203 HydrophobicContact CB-CE2 4.24Å; F201-E213 WeakPolarHBondContact O-CA 3.22Å; F201-I214 PolarHBondContact N-O 3.49Å; F201-I214 PolarHBondContact O-N 2.85Å; F201-T216 HydrophobicContact CD2-CG2 4.11Å; F201-T216 HydrophobicContact CE2-CG2 3.82Å; F201-P219 HydrophobicContact CE2-CB 3.81Å; F201-P219 HydrophobicContact CE2-CG 3.91Å; F201-P219 HydrophobicContact CZ-CB 3.84Å; F201-P219 HydrophobicContact CZ-CG 3.81Å; F201-V322 HydrophobicContact CZ-CG2 4.2Å; F201-L325 HydrophobicContact CD1-CD1 3.89Å; F201-L325 HydrophobicContact CD2-CD1 4.45Å; F201-L325 HydrophobicContact CE1-CD1 3.63Å; F201-L325 HydrophobicContact CE2-CD1 4.22Å; F201-L325 HydrophobicContact CG-CD1 4.3Å; F201-L325 HydrophobicContact CZ-CD1 3.79Å; F201-L330 CarbonylContact C-O 3.51Å; F201-L330 VanDerWaalsContact CA-O 3.27Å; F201-L330 WeakPolarHBondContact CA-O 3.39Å; F201-V331 HydrophobicContact CD1-CB 4.43Å; F201-V331 HydrophobicContact CD1-CG1 4.5Å; F201-V331 HydrophobicContact CD1-CG2 3.86Å; F201-V331 HydrophobicContact CE1-CG1 4.4Å; F201-V331 HydrophobicContact CE1-CG2 3.77Å
202K96.8Very high93.2Very high39 Ų3951.9 Ų51.917%0.1730%0.297CS..EExtended strand (participates in β ladder)trans-86.5125.2170.4-57180-171.4153.80109.3F211 P248 D329 L330 I332K202-F211 HydrophobicContact CB-CB 4.03Å; K202-F211 HydrophobicContact CB-CD1 4.46Å; K202-F211 HydrophobicContact CB-CD2 3.78Å; K202-F211 HydrophobicContact CB-CE2 4.38Å; K202-F211 HydrophobicContact CB-CG 3.83Å; K202-F211 HydrophobicContact CD-CD1 3.96Å; K202-F211 HydrophobicContact CD-CD2 4.28Å; K202-F211 HydrophobicContact CD-CE1 3.91Å; K202-F211 HydrophobicContact CD-CE2 4.24Å; K202-F211 HydrophobicContact CD-CG 4.15Å; K202-F211 HydrophobicContact CD-CZ 4.06Å; K202-F211 HydrophobicContact CG-CD1 4.25Å; K202-F211 HydrophobicContact CG-CD2 3.67Å; K202-F211 HydrophobicContact CG-CE1 4.32Å; K202-F211 HydrophobicContact CG-CE2 3.76Å; K202-F211 HydrophobicContact CG-CG 3.95Å; K202-F211 HydrophobicContact CG-CZ 4.09Å; K202-P248 WeakPolarHBondContact O-CG 3.47Å; K202-D329 PolarHBondContact NZ-O 3.49Å; K202-D329 IonicContact NZ-OD1 2.94Å; K202-D329 IonicContact NZ-OD2 3.12Å; K202-D329 PolarHBondContact NZ-OD2 2.94Å; K202-L330 HydrophobicContact CB-CD2 4.12Å; K202-L330 PolarHBondContact N-O 3.04Å; K202-I332 HydrophobicContact CD-CG1 4.45Å; K202-I332 HydrophobicContact CG-CD1 3.82Å; K202-I332 HydrophobicContact CG-CG1 3.63Å
203Y97Very high93.5Very high0 Ų049.5 Ų49.50%029%0.285CS..EExtended strand (participates in β ladder)trans-106.5105.1167.1-84.9-126.4000108F201 F211 I212 I214 M222 D225 I228 V245 L247 P248 L254F201-Y203 HydrophobicContact CB-CD2 4.45Å; F201-Y203 HydrophobicContact CB-CE2 4.24Å; Y203-F211 CarbonylContact O-C 3.53Å; Y203-F211 WeakPolarHBondContact O-CA 3.5Å; Y203-F211 WeakPolarHBondContact O-CB 3.27Å; Y203-I212 PolarHBondContact N-O 3.34Å; Y203-I212 PolarHBondContact O-N 3.15Å; Y203-I214 HydrophobicContact CD1-CG1 4.47Å; Y203-I214 HydrophobicContact CD2-CB 3.97Å; Y203-I214 HydrophobicContact CD2-CG1 3.67Å; Y203-I214 HydrophobicContact CE2-CB 3.98Å; Y203-I214 HydrophobicContact CE2-CG1 4.02Å; Y203-I214 HydrophobicContact CE2-CG2 4.28Å; Y203-I214 HydrophobicContact CG-CG1 3.92Å; Y203-M222 HydrophobicContact CE2-CE 3.79Å; Y203-M222 WeakPolarHBondContact OH-CB 3.46Å; Y203-M222 WeakPolarHBondContact OH-CE 3.37Å; Y203-D225 WeakPolarHBondContact CE1-OD2 3.44Å; Y203-D225 PolarHBondContact OH-OD2 3.45Å; Y203-I228 HydrophobicContact CD1-CD1 3.98Å; Y203-I228 HydrophobicContact CD1-CG1 4.42Å; Y203-I228 HydrophobicContact CE1-CD1 3.95Å; Y203-V245 HydrophobicContact CD1-CG2 4.03Å; Y203-L247 HydrophobicContact CE1-CD1 3.56Å; Y203-P248 HydrophobicContact CD2-CG 4.05Å; Y203-P248 HydrophobicContact CE2-CG 4.16Å; Y203-P248 HydrophobicContact CG-CG 4.32Å; Y203-L254 HydrophobicContact CD1-CD1 4.33Å; Y203-L254 HydrophobicContact CE1-CD1 3.98Å
204P96.8Very high93.8Very high45 Ų4543 Ų4329%0.29225%0.251SS..EExtended strand (participates in β ladder)trans-61.6140.2-177.8-21.432.5000111.8G210 V245 I246 L330P204-G210 WeakPolarHBondContact CA-O 3.44Å; P204-V245 CarbonylContact O-C 3.54Å; P204-V245 WeakPolarHBondContact O-CA 3.46Å; P204-V245 WeakPolarHBondContact O-CB 3.45Å; P204-I246 WeakPolarHBondContact CD-O 3.33Å; P204-I246 PolarHBondContact O-N 2.94Å; P204-L330 HydrophobicContact CG-CD2 4.31Å
205Y97Very high94Very high25 Ų2541 Ų4110%0.09824%0.24CC..BIsolated β-bridgetrans-68.1143.8170.2-64.2-66000110.6D207 G208 E209 G210 F211 I212 V240 K243 V245 I256Y205-D207 WeakPolarHBondContact CB-OD1 3.49Å; Y205-D207 PolarHBondContact O-N 3.32Å; Y205-G208 PolarHBondContact O-N 3.09Å; Y205-E209 VanDerWaalsContact CD2-O 3.31Å; Y205-E209 WeakPolarHBondContact CD2-O 3.37Å; Y205-G210 VanDerWaalsContact CD2-C 3.44Å; Y205-G210 PolarHBondContact N-O 3.44Å; Y205-G210 VanDerWaalsContact N-O 3.08Å; Y205-F211 WeakPolarHBondContact CE2-O 3.38Å; Y205-I212 HydrophobicContact CE1-CB 4.19Å; Y205-V240 HydrophobicContact CE1-CB 4.18Å; Y205-V240 HydrophobicContact CE1-CG1 4.12Å; Y205-K243 HydrophobicContact CD1-CD 4.47Å; Y205-V245 HydrophobicContact CD1-CG1 3.66Å; Y205-V245 HydrophobicContact CE1-CG1 4.03Å; Y205-I256 HydrophobicContact CD1-CD1 4.2Å; Y205-I256 HydrophobicContact CE1-CD1 3.65Å
206A93.7Very high94.2Very high38 Ų3836.1 Ų36.131%0.31422%0.218SC..THydrogen-bonded Turntrans-67.2-23.5-178.800000113G208 T244 I246A206-G208 PolarHBondContact O-N 3.08Å; A206-T244 VanDerWaalsContact CB-OG1 3.24Å; A206-T244 WeakPolarHBondContact CB-OG1 3.28Å; A206-T244 PolarHBondContact N-O 3.35Å; A206-I246 HydrophobicContact CB-CD1 3.77Å; A206-I246 HydrophobicContact CB-CG1 4.31Å
207D92Very high94.3Very high84 Ų8437 Ų3745%0.44922%0.219SC..THydrogen-bonded Turntrans-73-9.317260.814.8000113.2Y205 E209 K243Y205-D207 WeakPolarHBondContact CB-OD1 3.49Å; Y205-D207 PolarHBondContact O-N 3.32Å; D207-E209 VanDerWaalsContact C-N 3.32Å; D207-E209 PolarHBondContact OD1-N 2.64Å; D207-K243 IonicContact OD2-NZ 2.86Å; D207-K243 PolarHBondContact OD2-NZ 3.35Å
208G86.5Confident94.3Very high65 Ų6538.3 Ų38.367%0.6722%0.221SC*.SBendtrans82.71.5-178.800000114.6Y205 A206 G210Y205-G208 PolarHBondContact O-N 3.09Å; A206-G208 PolarHBondContact O-N 3.08Å; G208-G210 PolarHBondContact O-N 3.36Å
209E86.1Confident94.4Very high152 Ų15237.5 Ų37.571%0.7122%0.218SC*.SBendtrans-95.664.7-173.6-63.4-165.9163.400112.9Y205 D207Y205-E209 VanDerWaalsContact CD2-O 3.31Å; Y205-E209 WeakPolarHBondContact CD2-O 3.37Å; D207-E209 VanDerWaalsContact C-N 3.32Å; D207-E209 PolarHBondContact OD1-N 2.64Å
210G92.8Very high94.4Very high44 Ų4435.9 Ų35.945%0.45421%0.211SC..  trans98.8-150.4174.100000113.6P204 Y205 G208P204-G210 WeakPolarHBondContact CA-O 3.44Å; Y205-G210 VanDerWaalsContact CD2-C 3.44Å; Y205-G210 PolarHBondContact N-O 3.44Å; Y205-G210 VanDerWaalsContact N-O 3.08Å; G208-G210 PolarHBondContact O-N 3.36Å
211F95.6Very high94.3Very high96 Ų9636 Ų3642%0.42121%0.212SC..EExtended strand (participates in β ladder)trans-153160.6-177.164-91.6000111.6K202 Y203 Y205 I332K202-F211 HydrophobicContact CB-CB 4.03Å; K202-F211 HydrophobicContact CB-CD1 4.46Å; K202-F211 HydrophobicContact CB-CD2 3.78Å; K202-F211 HydrophobicContact CB-CE2 4.38Å; K202-F211 HydrophobicContact CB-CG 3.83Å; K202-F211 HydrophobicContact CD-CD1 3.96Å; K202-F211 HydrophobicContact CD-CD2 4.28Å; K202-F211 HydrophobicContact CD-CE1 3.91Å; K202-F211 HydrophobicContact CD-CE2 4.24Å; K202-F211 HydrophobicContact CD-CG 4.15Å; K202-F211 HydrophobicContact CD-CZ 4.06Å; K202-F211 HydrophobicContact CG-CD1 4.25Å; K202-F211 HydrophobicContact CG-CD2 3.67Å; K202-F211 HydrophobicContact CG-CE1 4.32Å; K202-F211 HydrophobicContact CG-CE2 3.76Å; K202-F211 HydrophobicContact CG-CG 3.95Å; K202-F211 HydrophobicContact CG-CZ 4.09Å; Y203-F211 CarbonylContact O-C 3.53Å; Y203-F211 WeakPolarHBondContact O-CA 3.5Å; Y203-F211 WeakPolarHBondContact O-CB 3.27Å; Y205-F211 WeakPolarHBondContact CE2-O 3.38Å; F211-I332 HydrophobicContact CE2-CD1 3.93Å
212I95.5Very high94.2Very high1 Ų136 Ų361%0.00521%0.212CC..EExtended strand (participates in β ladder)trans-101.8141.1163.4-166.1162.5000109.9Y203 Y205 I214 I228 V230 Y237 V240 V245 I256 A270Y203-I212 PolarHBondContact N-O 3.34Å; Y203-I212 PolarHBondContact O-N 3.15Å; Y205-I212 HydrophobicContact CE1-CB 4.19Å; I212-I214 HydrophobicContact CG2-CD1 4.27Å; I212-I214 HydrophobicContact CG2-CG1 4.34Å; I212-I228 HydrophobicContact CD1-CG2 4.2Å; I212-V230 HydrophobicContact CD1-CG1 4.11Å; I212-Y237 HydrophobicContact CD1-CD1 3.81Å; I212-Y237 HydrophobicContact CD1-CE1 3.82Å; I212-Y237 HydrophobicContact CG1-CD1 4.29Å; I212-Y237 HydrophobicContact CG1-CE1 3.8Å; I212-V240 HydrophobicContact CD1-CG2 4.41Å; I212-V245 HydrophobicContact CG2-CG1 3.84Å; I212-I256 HydrophobicContact CD1-CD1 4.24Å; I212-A270 HydrophobicContact CD1-CB 3.79Å; I212-A270 HydrophobicContact CG1-CB 4.05Å
213E95.7Very high94.2Very high53 Ų5334.1 Ų34.125%0.24820%0.204CC..EExtended strand (participates in β ladder)trans-85.4127175.5175.2173.817100109.9H200 F201 S268 I332H200-E213 HydrophobicContact CB-CG 4.48Å; H200-E213 IonicContact CE1-OE1 3.92Å; H200-E213 IonicContact CG-OE1 2.78Å; H200-E213 IonicContact ND1-OE1 3.47Å; H200-E213 PolarHBondContact ND1-OE1 2.9Å; F201-E213 WeakPolarHBondContact O-CA 3.22Å; E213-S268 VanDerWaalsContact O-CB 3.25Å; E213-S268 WeakPolarHBondContact O-CB 3.49Å; E213-S268 PolarHBondContact O-OG 3.36Å; E213-I332 HydrophobicContact CB-CD1 3.79Å; E213-I332 HydrophobicContact CG-CD1 3.49Å; E213-I332 VanDerWaalsContact CG-CD1 3.49Å
214I95.8Very high94.2Very high0 Ų034.1 Ų34.10%020%0.204CC..EExtended strand (participates in β ladder)trans-118.9129.5177.1-62.1-57.2000109.4H200 F201 Y203 I212 I228 A270 K272H200-I214 CarbonylContact C-O 3.55Å; H200-I214 WeakPolarHBondContact CA-O 3.31Å; F201-I214 PolarHBondContact N-O 3.49Å; F201-I214 PolarHBondContact O-N 2.85Å; Y203-I214 HydrophobicContact CD1-CG1 4.47Å; Y203-I214 HydrophobicContact CD2-CB 3.97Å; Y203-I214 HydrophobicContact CD2-CG1 3.67Å; Y203-I214 HydrophobicContact CE2-CB 3.98Å; Y203-I214 HydrophobicContact CE2-CG1 4.02Å; Y203-I214 HydrophobicContact CE2-CG2 4.28Å; Y203-I214 HydrophobicContact CG-CG1 3.92Å; I212-I214 HydrophobicContact CG2-CD1 4.27Å; I212-I214 HydrophobicContact CG2-CG1 4.34Å; I214-I228 HydrophobicContact CD1-CD1 3.64Å; I214-I228 HydrophobicContact CD1-CG1 4.16Å; I214-I228 HydrophobicContact CD1-CG2 3.61Å; I214-I228 HydrophobicContact CG1-CD1 3.86Å; I214-A270 HydrophobicContact CD1-CB 3.87Å; I214-K272 HydrophobicContact CG2-CB 3.74Å; I214-K272 HydrophobicContact CG2-CD 4.41Å; I214-K272 HydrophobicContact CG2-CG 3.63Å
215A93.7Very high94.2Very high12 Ų1232 Ų3210%0.09919%0.19CC..EExtended strand (participates in β ladder)trans-105.5135.6175.800000111.1F198 Y199F198-A215 HydrophobicContact CD1-CB 4.45Å; F198-A215 HydrophobicContact CE1-CB 3.66Å; F198-A215 HydrophobicContact CE2-CB 3.89Å; F198-A215 HydrophobicContact CZ-CB 3.33Å; Y199-A215 CarbonylContact O-C 3.58Å; Y199-A215 VanDerWaalsContact O-CA 3.26Å; Y199-A215 WeakPolarHBondContact O-CA 3.42Å
216T94Very high94.2Very high16 Ų1631.4 Ų31.410%0.09819%0.189CC..EExtended strand (participates in β ladder)trans-153.4150.3178.3-174.30000112.3Y199 F201 R218 K272Y199-T216 WeakPolarHBondContact CD2-O 3.33Å; Y199-T216 PolarHBondContact N-O 3.11Å; Y199-T216 PolarHBondContact O-N 2.87Å; F201-T216 HydrophobicContact CD2-CG2 4.11Å; F201-T216 HydrophobicContact CE2-CG2 3.82Å; T216-R218 PolarHBondContact OG1-N 3.26Å; T216-R218 VanDerWaalsContact OG1-N 3.1Å; T216-K272 HydrophobicContact CG2-CD 4.36Å
217T92.5Very high94.4Very high39 Ų3929.6 Ų29.624%0.23917%0.174CC..SBendtrans-88.3-13.5168.853.50000112.8F198 P219F198-T217 HydrophobicContact CD2-CG2 3.72Å; F198-T217 HydrophobicContact CE2-CG2 4.3Å; T217-P219 WeakPolarHBondContact O-CD 3.35Å
218R93.9Very high94.7Very high42 Ų4225.6 Ų25.616%0.15815%0.153CC..  trans-124.973-174.2-59.2-167.764.8-168.73.2112.5T216 E220 T221 H277 E352T216-R218 PolarHBondContact OG1-N 3.26Å; T216-R218 VanDerWaalsContact OG1-N 3.1Å; R218-E220 IonicContact CZ-OE1 2.66Å; R218-E220 IonicContact NE-OE1 3.84Å; R218-E220 PolarHBondContact NE-OE1 2.63Å; R218-E220 IonicContact NH2-OE1 3.93Å; R218-E220 PolarHBondContact O-N 2.78Å; R218-E220 VanDerWaalsContact O-N 3.14Å; R218-T221 HydrophobicContact CB-CG2 3.91Å; R218-T221 VanDerWaalsContact CZ-CG2 3.46Å; R218-T221 PolarHBondContact O-N 3.4Å; R218-T221 VanDerWaalsContact O-N 3.11Å; R218-T221 PolarHBondContact O-OG1 3.23Å; R218-H277 PolarHBondContact NH1-O 3.47Å; R218-E352 IonicContact CZ-OE1 3.66Å; R218-E352 IonicContact NH1-OE1 2.62Å; R218-E352 PolarHBondContact NH1-OE1 3.01Å; R218-E352 VanDerWaalsContact NH2-CD 3.27Å; R218-E352 IonicContact NH2-OE1 2.67Å; R218-E352 PolarHBondContact NH2-OE1 2.74Å; R218-E352 IonicContact NH2-OE2 3.5Å; R218-E352 PolarHBondContact NH2-OE2 2.79Å; R218-E352 VanDerWaalsContact NH2-OE2 3.08Å
219P96.1Very high95.1Very high0 Ų022.5 Ų22.50%012%0.121CC..G310 helixtrans-50.9-39.8179.6-28.534.5000114.3Y199 F201 T217 T221 M222 R318 L321 V322Y199-P219 HydrophobicContact CD1-CG 3.94Å; Y199-P219 HydrophobicContact CD2-CG 3.38Å; Y199-P219 HydrophobicContact CE1-CG 4.18Å; Y199-P219 HydrophobicContact CE2-CG 3.64Å; Y199-P219 HydrophobicContact CG-CG 3.55Å; F201-P219 HydrophobicContact CE2-CB 3.81Å; F201-P219 HydrophobicContact CE2-CG 3.91Å; F201-P219 HydrophobicContact CZ-CB 3.84Å; F201-P219 HydrophobicContact CZ-CG 3.81Å; T217-P219 WeakPolarHBondContact O-CD 3.35Å; P219-T221 PolarHBondContact O-N 3.39Å; P219-M222 WeakPolarHBondContact O-CB 3.35Å; P219-M222 WeakPolarHBondContact O-CG 3.47Å; P219-M222 PolarHBondContact O-N 2.92Å; P219-R318 HydrophobicContact CB-CG 4.37Å; P219-R318 HydrophobicContact CG-CG 4.14Å; P219-L321 HydrophobicContact CB-CD2 4.32Å; P219-L321 WeakPolarHBondContact O-CD2 3.43Å; P219-V322 HydrophobicContact CB-CG2 3.86Å; P219-V322 HydrophobicContact CG-CG2 3.77Å
220E95.7Very high95.6Very high0 Ų015.2 Ų15.20%09%0.087CC..G310 helixtrans-62.4-24.8-177.671.6-76.2-178.300114.2R218 M222 M296 R314 C317 R318R218-E220 IonicContact CZ-OE1 2.66Å; R218-E220 IonicContact NE-OE1 3.84Å; R218-E220 PolarHBondContact NE-OE1 2.63Å; R218-E220 IonicContact NH2-OE1 3.93Å; R218-E220 PolarHBondContact O-N 2.78Å; R218-E220 VanDerWaalsContact O-N 3.14Å; E220-M222 VanDerWaalsContact C-N 3.26Å; E220-M222 PolarHBondContact O-N 2.95Å; E220-M296 HydrophobicContact CB-CE 4.37Å; E220-M296 HydrophobicContact CG-CE 3.42Å; E220-M296 VanDerWaalsContact CG-CE 3.42Å; E220-R314 HydrophobicContact CG-CB 4.41Å; E220-C317 HydrophobicContact CB-CB 4.5Å; E220-R318 HydrophobicContact CB-CB 4.28Å; E220-R318 IonicContact OE1-CZ 2.79Å; E220-R318 IonicContact OE1-NE 2.81Å; E220-R318 PolarHBondContact OE1-NE 3.28Å; E220-R318 IonicContact OE1-NH2 3.21Å; E220-R318 PolarHBondContact OE1-NH2 3.42Å; E220-R318 WeakPolarHBondContact OE2-CB 3.46Å; E220-R318 WeakPolarHBondContact OE2-CG 3.34Å; E220-R318 IonicContact OE2-CZ 3.74Å; E220-R318 IonicContact OE2-NE 2.73Å; E220-R318 PolarHBondContact OE2-NE 3.46Å; E220-R318 IonicContact OE2-NH2 3.95Å; E220-R318 PolarHBondContact OE2-NH2 3.06Å
221T96Very high95.7Very high4 Ų413.9 Ų13.93%0.0257%0.069CC..G310 helixtrans-74.7-21.2176.766.20000111.6R218 P219 L223 G224 K272 T274 H277 M296R218-T221 HydrophobicContact CB-CG2 3.91Å; R218-T221 VanDerWaalsContact CZ-CG2 3.46Å; R218-T221 PolarHBondContact O-N 3.4Å; R218-T221 VanDerWaalsContact O-N 3.11Å; R218-T221 PolarHBondContact O-OG1 3.23Å; P219-T221 PolarHBondContact O-N 3.39Å; T221-L223 PolarHBondContact O-N 3.22Å; T221-G224 PolarHBondContact O-N 2.89Å; T221-K272 WeakPolarHBondContact OG1-CE 3.36Å; T221-T274 WeakPolarHBondContact O-CG2 3.44Å; T221-H277 HydrophobicContact CG2-CB 3.83Å; T221-M296 HydrophobicContact CG2-CE 3.88Å
222M96Very high95.5Very high0 Ų011.2 Ų11.20%06%0.062CC..G310 helixtrans-54.2-28.5-177.284.2-173.5-70.400113.3Y203 P219 E220 G224 D225 L247 P248 K272 L321 L325Y203-M222 HydrophobicContact CE2-CE 3.79Å; Y203-M222 WeakPolarHBondContact OH-CB 3.46Å; Y203-M222 WeakPolarHBondContact OH-CE 3.37Å; P219-M222 WeakPolarHBondContact O-CB 3.35Å; P219-M222 WeakPolarHBondContact O-CG 3.47Å; P219-M222 PolarHBondContact O-N 2.92Å; E220-M222 VanDerWaalsContact C-N 3.26Å; E220-M222 PolarHBondContact O-N 2.95Å; M222-G224 PolarHBondContact O-N 3.4Å; M222-G224 VanDerWaalsContact O-N 3.15Å; M222-D225 WeakPolarHBondContact CA-OD1 3.22Å; M222-D225 VanDerWaalsContact O-CB 3.31Å; M222-D225 WeakPolarHBondContact O-CB 3.39Å; M222-D225 PolarHBondContact O-N 3.06Å; M222-L247 HydrophobicContact CE-CD1 4.29Å; M222-L247 WeakPolarHBondContact O-CD1 3.12Å; M222-L247 WeakPolarHBondContact O-CD2 3.42Å; M222-P248 HydrophobicContact CE-CB 3.82Å; M222-P248 HydrophobicContact CE-CG 4Å; M222-K272 HydrophobicContact CB-CD 4.26Å; M222-L321 HydrophobicContact CG-CD2 3.96Å; M222-L321 HydrophobicContact SD-CD1 4.17Å; M222-L321 HydrophobicContact SD-CD2 3.77Å; M222-L321 HydrophobicContact SD-CG 4.17Å; M222-L325 HydrophobicContact CE-CD1 4.24Å; M222-L325 HydrophobicContact CE-CD2 4.3Å; M222-L325 HydrophobicContact SD-CD1 3.7Å
223L96.4Very high95.3Very high0 Ų016.2 Ų16.20%09%0.088CC..G310 helixtrans-61.4-24.7179.3-57.7173.1000112.2T221 V250 R252 V295 M302 A306 Y309 L321T221-L223 PolarHBondContact O-N 3.22Å; L223-V250 HydrophobicContact CB-CG2 4.35Å; L223-V250 HydrophobicContact CD2-CG2 3.59Å; L223-R252 PolarHBondContact O-NH2 3.36Å; L223-V295 HydrophobicContact CB-CG1 4.21Å; L223-M302 HydrophobicContact CD1-CE 3.76Å; L223-A306 HydrophobicContact CD1-CB 4.01Å; L223-Y309 HydrophobicContact CD1-CD2 3.6Å; L223-Y309 HydrophobicContact CD1-CE2 4.13Å; L223-Y309 HydrophobicContact CD1-CG 4.48Å; L223-Y309 HydrophobicContact CD2-CD2 4.26Å; L223-Y309 HydrophobicContact CD2-CE2 4.04Å; L223-L321 HydrophobicContact CD1-CD2 4.47Å; L223-L321 HydrophobicContact CD2-CD1 4.28Å; L223-L321 HydrophobicContact CD2-CD2 4.48Å; L223-L321 HydrophobicContact CG-CD2 4.31Å
224G95.9Very high95.2Very high0 Ų014 Ų140%08%0.078CC..G310 helixtrans-98.112.3175.700000114.6T221 M222T221-G224 PolarHBondContact O-N 2.89Å; M222-G224 PolarHBondContact O-N 3.4Å; M222-G224 VanDerWaalsContact O-N 3.15Å
225D97.5Very high95.1Very high0 Ų020.7 Ų20.70%011%0.109CC..  trans-60.3141.5178-72.8-9000112Y203 M222 L247 R252 L254 K272 V273 T274Y203-D225 WeakPolarHBondContact CE1-OD2 3.44Å; Y203-D225 PolarHBondContact OH-OD2 3.45Å; M222-D225 WeakPolarHBondContact CA-OD1 3.22Å; M222-D225 VanDerWaalsContact O-CB 3.31Å; M222-D225 WeakPolarHBondContact O-CB 3.39Å; M222-D225 PolarHBondContact O-N 3.06Å; D225-L247 HydrophobicContact CB-CD1 4.03Å; D225-L247 HydrophobicContact CB-CD2 4.23Å; D225-R252 PolarHBondContact O-NE 2.84Å; D225-L254 HydrophobicContact CB-CD1 3.59Å; D225-L254 HydrophobicContact CB-CD2 4.41Å; D225-L254 VanDerWaalsContact O-CD2 3.24Å; D225-L254 WeakPolarHBondContact O-CD2 3.37Å; D225-K272 WeakPolarHBondContact OD1-CD 3.29Å; D225-K272 WeakPolarHBondContact OD1-CE 3.2Å; D225-K272 IonicContact OD1-NZ 2.72Å; D225-K272 PolarHBondContact OD1-NZ 2.95Å; D225-K272 WeakPolarHBondContact OD2-CB 3.14Å; D225-V273 WeakPolarHBondContact CA-O 3.4Å; D225-T274 WeakPolarHBondContact OD1-CG2 3.32Å
226T97.2Very high95Very high13 Ų1326.8 Ų26.88%0.0813%0.13CC..  trans-127-12.9176.557.70000114.5P255 V273 P275 E291 I293T226-P255 WeakPolarHBondContact O-CD 3.43Å; T226-V273 PolarHBondContact N-O 2.93Å; T226-P275 WeakPolarHBondContact OG1-CD 3.49Å; T226-P275 WeakPolarHBondContact OG1-CG 3.43Å; T226-E291 HydrophobicContact CG2-CB 4.25Å; T226-E291 WeakPolarHBondContact CG2-O 3.33Å; T226-E291 PolarHBondContact OG1-O 3.35Å; T226-I293 HydrophobicContact CG2-CB 4.41Å; T226-I293 HydrophobicContact CG2-CD1 3.54Å; T226-I293 HydrophobicContact CG2-CG1 3.65Å
227A97.8Very high95Very high0 Ų027.4 Ų27.40%013%0.131CC..EExtended strand (participates in β ladder)trans-158.1167.217000000111.2P255 L257 V273 L290A227-P255 WeakPolarHBondContact CA-O 3.26Å; A227-P255 HydrophobicContact CB-CG 4.14Å; A227-L257 HydrophobicContact CB-CD1 3.99Å; A227-L257 HydrophobicContact CB-CG 4.45Å; A227-V273 HydrophobicContact CB-CB 4.26Å; A227-V273 HydrophobicContact CB-CG2 4.21Å; A227-V273 PolarHBondContact O-N 3.17Å; A227-L290 HydrophobicContact CB-CD1 3.5Å; A227-L290 HydrophobicContact CB-CD2 3.98Å; A227-L290 HydrophobicContact CB-CG 4.41Å
228I97.4Very high94.8Very high0 Ų029.6 Ų29.60%014%0.137CC..EExtended strand (participates in β ladder)trans-109.6137.8158.4-60.4-53000107.6Y203 I212 I214 V245 P255 I256 L257 A270 M271 K272Y203-I228 HydrophobicContact CD1-CD1 3.98Å; Y203-I228 HydrophobicContact CD1-CG1 4.42Å; Y203-I228 HydrophobicContact CE1-CD1 3.95Å; I212-I228 HydrophobicContact CD1-CG2 4.2Å; I214-I228 HydrophobicContact CD1-CD1 3.64Å; I214-I228 HydrophobicContact CD1-CG1 4.16Å; I214-I228 HydrophobicContact CD1-CG2 3.61Å; I214-I228 HydrophobicContact CG1-CD1 3.86Å; I228-V245 HydrophobicContact CG1-CG2 3.79Å; I228-P255 PolarHBondContact N-O 3.47Å; I228-I256 HydrophobicContact CB-CG1 4.21Å; I228-I256 CarbonylContact O-C 3.58Å; I228-I256 WeakPolarHBondContact O-CA 3.35Å; I228-L257 PolarHBondContact O-N 3Å; I228-A270 HydrophobicContact CG2-CB 4.38Å; I228-M271 CarbonylContact C-O 3.43Å; I228-M271 WeakPolarHBondContact CA-O 3.42Å; I228-K272 HydrophobicContact CD1-CB 3.94Å
229V96.6Very high94.7Very high0 Ų034.9 Ų34.90%017%0.168CC..EExtended strand (participates in β ladder)trans-114.9142.8172.4-72.90000111.1L257 D259 V262 A270 M271 V273 I284V229-L257 WeakPolarHBondContact CA-O 3.14Å; V229-L257 HydrophobicContact CG1-CB 4.07Å; V229-D259 HydrophobicContact CB-CB 4.12Å; V229-D259 HydrophobicContact CG1-CB 3.97Å; V229-V262 HydrophobicContact CB-CG2 3.84Å; V229-V262 HydrophobicContact CG2-CG2 3.42Å; V229-V262 VanDerWaalsContact CG2-CG2 3.42Å; V229-A270 WeakPolarHBondContact O-CA 3.29Å; V229-M271 HydrophobicContact CG2-CB 4.01Å; V229-M271 HydrophobicContact CG2-CE 3.9Å; V229-M271 PolarHBondContact N-O 2.83Å; V229-M271 PolarHBondContact O-N 2.64Å; V229-V273 HydrophobicContact CB-CG2 4.16Å; V229-V273 HydrophobicContact CG1-CG2 3.64Å; V229-V273 HydrophobicContact CG2-CG2 3.59Å; V229-I284 HydrophobicContact CG1-CG2 3.92Å
230V96.3Very high94.5Very high0 Ų035.7 Ų35.70%017%0.173CC..EExtended strand (participates in β ladder)trans-129.9152.8173.6-63.40000109.3I212 Y237 I241 I256 L257 A258 D259 A270I212-V230 HydrophobicContact CD1-CG1 4.11Å; V230-Y237 HydrophobicContact CB-CD2 4.16Å; V230-Y237 HydrophobicContact CB-CG 4.18Å; V230-Y237 HydrophobicContact CG1-CD1 4.36Å; V230-Y237 HydrophobicContact CG1-CD2 3.88Å; V230-Y237 HydrophobicContact CG1-CG 3.76Å; V230-I241 HydrophobicContact CG2-CD1 4.13Å; V230-I241 HydrophobicContact CG2-CG1 3.65Å; V230-I256 HydrophobicContact CG1-CG2 4.3Å; V230-I256 HydrophobicContact CG2-CG2 4.13Å; V230-L257 PolarHBondContact N-O 3.24Å; V230-A258 WeakPolarHBondContact O-CA 3.24Å; V230-D259 PolarHBondContact O-N 3.18Å; V230-A270 HydrophobicContact CG1-CB 3.68Å
231N93.2Very high94.4Very high16 Ų1638.7 Ų38.79%0.08619%0.189CC..  trans-69.3131175.1-166.8-63.1000109.8N233 D234 V262 I264N231-N233 PolarHBondContact O-N 2.96Å; N231-N233 VanDerWaalsContact O-N 3.1Å; N231-N233 WeakPolarHBondContact OD1-CB 3.33Å; N231-N233 PolarHBondContact OD1-N 3Å; N231-N233 PolarHBondContact OD1-ND2 3.29Å; N231-D234 HydrophobicContact CB-CB 4.26Å; N231-D234 WeakPolarHBondContact O-CB 3.34Å; N231-D234 PolarHBondContact O-N 3.42Å; N231-V262 HydrophobicContact CB-CB 4.34Å; N231-V262 WeakPolarHBondContact CB-O 3.43Å; N231-V262 PolarHBondContact ND2-O 3.37Å; N231-I264 HydrophobicContact CB-CD1 4.28Å; N231-I264 HydrophobicContact CB-CG1 3.67Å
232P92.3Very high94.2Very high40 Ų4041.6 Ų41.626%0.2622%0.219SC..THydrogen-bonded Turntrans-60.1-22.2178.521.2-31.8000114.1K238 A258 E260P232-K238 WeakPolarHBondContact O-CE 3.5Å; P232-A258 HydrophobicContact CB-CB 4.13Å; P232-E260 HydrophobicContact CG-CG 3.88Å
233N92Very high94.2Very high105 Ų10544.9 Ų44.956%0.56123%0.234SC*.THydrogen-bonded Turntrans-91.1-2.8179-57.8-57.5000113.3N231 E235 I264N231-N233 PolarHBondContact O-N 2.96Å; N231-N233 VanDerWaalsContact O-N 3.1Å; N231-N233 WeakPolarHBondContact OD1-CB 3.33Å; N231-N233 PolarHBondContact OD1-N 3Å; N231-N233 PolarHBondContact OD1-ND2 3.29Å; N233-E235 PolarHBondContact O-N 2.82Å; N233-I264 HydrophobicContact CB-CD1 4.26Å
234D94Very high94.2Very high7 Ų747.3 Ų47.34%0.03725%0.249CC..  trans-80.2103.7175.8-167.7-17.3000111N231 R236 Y237 K238 I264N231-D234 HydrophobicContact CB-CB 4.26Å; N231-D234 WeakPolarHBondContact O-CB 3.34Å; N231-D234 PolarHBondContact O-N 3.42Å; D234-R236 PolarHBondContact O-N 3.39Å; D234-R236 VanDerWaalsContact OD1-CB 3.26Å; D234-R236 WeakPolarHBondContact OD1-CB 3.34Å; D234-R236 WeakPolarHBondContact OD1-CG 3.36Å; D234-R236 IonicContact OD1-CZ 2.92Å; D234-R236 PolarHBondContact OD1-N 2.88Å; D234-R236 IonicContact OD1-NE 3.42Å; D234-R236 PolarHBondContact OD1-NE 2.75Å; D234-R236 IonicContact OD1-NH2 3.63Å; D234-R236 IonicContact OD2-CZ 2.67Å; D234-R236 VanDerWaalsContact OD2-CZ 3.28Å; D234-R236 IonicContact OD2-NE 2.7Å; D234-R236 PolarHBondContact OD2-NE 2.95Å; D234-R236 VanDerWaalsContact OD2-NE 3.11Å; D234-R236 IonicContact OD2-NH2 3.44Å; D234-R236 PolarHBondContact OD2-NH2 3.44Å; D234-Y237 HydrophobicContact CB-CD2 4.24Å; D234-Y237 PolarHBondContact O-N 3.16Å; D234-Y237 VanDerWaalsContact OD2-CD2 3.28Å; D234-Y237 WeakPolarHBondContact OD2-CD2 3.47Å; D234-Y237 WeakPolarHBondContact OD2-CE2 3.18Å; D234-K238 PolarHBondContact O-N 2.74Å; D234-I264 HydrophobicContact CB-CD1 4.45Å; D234-I264 HydrophobicContact CB-CG1 4.25Å; D234-I264 HydrophobicContact CB-CG2 4.42Å
235E92.2Very high94.3Very high140 Ų14047.3 Ų47.365%0.65425%0.249SC*.THydrogen-bonded Turntrans-56-23.8179.1-60.6-63.2160.300113.1N233 Y237 K238N233-E235 PolarHBondContact O-N 2.82Å; E235-Y237 VanDerWaalsContact C-N 3.29Å; E235-Y237 PolarHBondContact O-N 3.29Å; E235-K238 IonicContact OE1-NZ 2.87Å; E235-K238 PolarHBondContact OE1-NZ 2.86Å; E235-K238 WeakPolarHBondContact OE2-CD 3.29Å; E235-K238 WeakPolarHBondContact OE2-CE 3.47Å; E235-K238 IonicContact OE2-NZ 2.62Å; E235-K238 PolarHBondContact OE2-NZ 2.77Å
236R92.6Very high94.3Very high141 Ų14149.8 Ų49.853%0.53226%0.261SS..THydrogen-bonded Turntrans-68.1-27.9179-59.9173.8-68-175.8-3.8112.8D234 I264D234-R236 PolarHBondContact O-N 3.39Å; D234-R236 VanDerWaalsContact OD1-CB 3.26Å; D234-R236 WeakPolarHBondContact OD1-CB 3.34Å; D234-R236 WeakPolarHBondContact OD1-CG 3.36Å; D234-R236 IonicContact OD1-CZ 2.92Å; D234-R236 PolarHBondContact OD1-N 2.88Å; D234-R236 IonicContact OD1-NE 3.42Å; D234-R236 PolarHBondContact OD1-NE 2.75Å; D234-R236 IonicContact OD1-NH2 3.63Å; D234-R236 IonicContact OD2-CZ 2.67Å; D234-R236 VanDerWaalsContact OD2-CZ 3.28Å; D234-R236 IonicContact OD2-NE 2.7Å; D234-R236 PolarHBondContact OD2-NE 2.95Å; D234-R236 VanDerWaalsContact OD2-NE 3.11Å; D234-R236 IonicContact OD2-NH2 3.44Å; D234-R236 PolarHBondContact OD2-NH2 3.44Å; R236-I264 PolarHBondContact NH2-O 3.17Å
237Y93.1Very high94.2Very high28 Ų2849.2 Ų49.211%0.1126%0.258CS..THydrogen-bonded Turntrans-118-0.3-170-60.1-60000114.9I212 V230 D234 E235 D239 V240 I241 S268 A270I212-Y237 HydrophobicContact CD1-CD1 3.81Å; I212-Y237 HydrophobicContact CD1-CE1 3.82Å; I212-Y237 HydrophobicContact CG1-CD1 4.29Å; I212-Y237 HydrophobicContact CG1-CE1 3.8Å; V230-Y237 HydrophobicContact CB-CD2 4.16Å; V230-Y237 HydrophobicContact CB-CG 4.18Å; V230-Y237 HydrophobicContact CG1-CD1 4.36Å; V230-Y237 HydrophobicContact CG1-CD2 3.88Å; V230-Y237 HydrophobicContact CG1-CG 3.76Å; D234-Y237 HydrophobicContact CB-CD2 4.24Å; D234-Y237 PolarHBondContact O-N 3.16Å; D234-Y237 VanDerWaalsContact OD2-CD2 3.28Å; D234-Y237 WeakPolarHBondContact OD2-CD2 3.47Å; D234-Y237 WeakPolarHBondContact OD2-CE2 3.18Å; E235-Y237 VanDerWaalsContact C-N 3.29Å; E235-Y237 PolarHBondContact O-N 3.29Å; Y237-D239 VanDerWaalsContact C-N 3.26Å; Y237-D239 PolarHBondContact O-N 2.97Å; Y237-V240 HydrophobicContact CD1-CG2 4.06Å; Y237-V240 HydrophobicContact CG-CG2 4.49Å; Y237-V240 WeakPolarHBondContact O-CG2 3.35Å; Y237-V240 PolarHBondContact O-N 3.15Å; Y237-V240 VanDerWaalsContact O-N 3.08Å; Y237-I241 PolarHBondContact O-N 3.38Å; Y237-S268 VanDerWaalsContact CE2-O 3.27Å; Y237-S268 WeakPolarHBondContact CE2-O 3.42Å; Y237-S268 PolarHBondContact OH-O 3.32Å; Y237-A270 HydrophobicContact CE1-CB 4.49Å; Y237-A270 HydrophobicContact CE2-CB 4.1Å
238K89.1Confident93.9Very high86 Ų8649.5 Ų49.537%0.37426%0.259SS..G310 helixtrans-53.5-41.4-179.9-77.9-173.4-177.1169.70113.9P232 D234 E235 V240P232-K238 WeakPolarHBondContact O-CE 3.5Å; D234-K238 PolarHBondContact O-N 2.74Å; E235-K238 IonicContact OE1-NZ 2.87Å; E235-K238 PolarHBondContact OE1-NZ 2.86Å; E235-K238 WeakPolarHBondContact OE2-CD 3.29Å; E235-K238 WeakPolarHBondContact OE2-CE 3.47Å; E235-K238 IonicContact OE2-NZ 2.62Å; E235-K238 PolarHBondContact OE2-NZ 2.77Å; K238-V240 PolarHBondContact O-N 3.46Å
239D90.8Very high93.6Very high152 Ų15252 Ų5281%0.81327%0.272SS*.G310 helixtrans-77.1-9.1-175.8-64.8-27.1000113.8Y237Y237-D239 VanDerWaalsContact C-N 3.26Å; Y237-D239 PolarHBondContact O-N 2.97Å
240V92.4Very high93.4Very high17 Ų1754.8 Ų54.810%0.10329%0.289CS..G310 helixtrans-106.2-7.3-179.4-55.90000113.2Y205 I212 Y237 K238 G242 K243 I256Y205-V240 HydrophobicContact CE1-CB 4.18Å; Y205-V240 HydrophobicContact CE1-CG1 4.12Å; I212-V240 HydrophobicContact CD1-CG2 4.41Å; Y237-V240 HydrophobicContact CD1-CG2 4.06Å; Y237-V240 HydrophobicContact CG-CG2 4.49Å; Y237-V240 WeakPolarHBondContact O-CG2 3.35Å; Y237-V240 PolarHBondContact O-N 3.15Å; Y237-V240 VanDerWaalsContact O-N 3.08Å; K238-V240 PolarHBondContact O-N 3.46Å; V240-G242 PolarHBondContact O-N 3.47Å; V240-K243 HydrophobicContact CB-CD 4.31Å; V240-K243 HydrophobicContact CG1-CD 4.31Å; V240-K243 VanDerWaalsContact O-CB 3.28Å; V240-K243 WeakPolarHBondContact O-CB 3.06Å; V240-K243 PolarHBondContact O-N 3.39Å; V240-I256 HydrophobicContact CB-CD1 4.1Å; V240-I256 HydrophobicContact CG2-CD1 4.14Å; V240-I256 HydrophobicContact CG2-CG2 4.38Å; V240-I256 WeakPolarHBondContact O-CB 3.3Å
241I93.4Very high93.2Very high64 Ų6457 Ų5733%0.32831%0.312SS..THydrogen-bonded Turntrans-60.3128.3172.4-64.6165.1000109V230 Y237 K243 A258V230-I241 HydrophobicContact CG2-CD1 4.13Å; V230-I241 HydrophobicContact CG2-CG1 3.65Å; Y237-I241 PolarHBondContact O-N 3.38Å; I241-K243 VanDerWaalsContact C-N 3.32Å; I241-A258 HydrophobicContact CD1-CB 4.1Å; I241-A258 HydrophobicContact CG2-CB 4.35Å
242G92.1Very high93.3Very high65 Ų6559.8 Ų59.867%0.6732%0.321SS*.THydrogen-bonded Turntrans86.1-8-175.400000114.9V240 I256V240-G242 PolarHBondContact O-N 3.47Å; G242-I256 PolarHBondContact N-O 2.61Å
243K95.6Very high93.5Very high69 Ų6963.9 Ų63.930%0.334%0.337SS..  trans-73166.6165.6-67.2-165.9171.2-153.20110.7Y205 D207 V240 I241 I256Y205-K243 HydrophobicContact CD1-CD 4.47Å; D207-K243 IonicContact OD2-NZ 2.86Å; D207-K243 PolarHBondContact OD2-NZ 3.35Å; V240-K243 HydrophobicContact CB-CD 4.31Å; V240-K243 HydrophobicContact CG1-CD 4.31Å; V240-K243 VanDerWaalsContact O-CB 3.28Å; V240-K243 WeakPolarHBondContact O-CB 3.06Å; V240-K243 PolarHBondContact O-N 3.39Å; I241-K243 VanDerWaalsContact C-N 3.32Å; K243-I256 HydrophobicContact CB-CD1 4.37Å; K243-I256 PolarHBondContact O-N 3Å
244T96.9Very high93.7Very high51 Ų5159 Ų5931%0.31331%0.311SS..EExtended strand (participates in β ladder)trans-114.5151172.254.70000111.6A206 L254A206-T244 VanDerWaalsContact CB-OG1 3.24Å; A206-T244 WeakPolarHBondContact CB-OG1 3.28Å; A206-T244 PolarHBondContact N-O 3.35Å; T244-L254 CarbonylContact C-O 3.47Å; T244-L254 WeakPolarHBondContact CA-O 3.11Å
245V97.4Very high93.9Very high0 Ų060.8 Ų60.80%032%0.323CS..EExtended strand (participates in β ladder)trans-119.6155.8173.4-64.30000110.4Y203 P204 Y205 I212 I228 E253 L254 I256Y203-V245 HydrophobicContact CD1-CG2 4.03Å; P204-V245 CarbonylContact O-C 3.54Å; P204-V245 WeakPolarHBondContact O-CA 3.46Å; P204-V245 WeakPolarHBondContact O-CB 3.45Å; Y205-V245 HydrophobicContact CD1-CG1 3.66Å; Y205-V245 HydrophobicContact CE1-CG1 4.03Å; I212-V245 HydrophobicContact CG2-CG1 3.84Å; I228-V245 HydrophobicContact CG1-CG2 3.79Å; V245-E253 CarbonylContact O-C 3.59Å; V245-E253 WeakPolarHBondContact O-CA 3.34Å; V245-L254 HydrophobicContact CG2-CB 3.86Å; V245-L254 HydrophobicContact CG2-CD1 4.4Å; V245-L254 HydrophobicContact CG2-CG 4.49Å; V245-L254 PolarHBondContact N-O 3.39Å; V245-L254 PolarHBondContact O-N 3.33Å; V245-I256 HydrophobicContact CG1-CD1 3.8Å; V245-I256 HydrophobicContact CG1-CG1 4.15Å
246I97.1Very high94.1Very high52 Ų5254.1 Ų54.127%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-90.5120.6171.5-53.7-53.5000108.4P204 A206 P248 E253P204-I246 WeakPolarHBondContact CD-O 3.33Å; P204-I246 PolarHBondContact O-N 2.94Å; A206-I246 HydrophobicContact CB-CD1 3.77Å; A206-I246 HydrophobicContact CB-CG1 4.31Å; I246-P248 WeakPolarHBondContact O-CD 3.28Å; I246-E253 HydrophobicContact CD1-CG 3.7Å
247L95.6Very high94.3Very high0 Ų049.2 Ų49.20%028%0.276CS..PPolyproline II helixtrans-61.8117.9171176.956.6000109.6Y203 M222 D225 V250 G251 R252 L254Y203-L247 HydrophobicContact CE1-CD1 3.56Å; M222-L247 HydrophobicContact CE-CD1 4.29Å; M222-L247 WeakPolarHBondContact O-CD1 3.12Å; M222-L247 WeakPolarHBondContact O-CD2 3.42Å; D225-L247 HydrophobicContact CB-CD1 4.03Å; D225-L247 HydrophobicContact CB-CD2 4.23Å; L247-V250 HydrophobicContact CD2-CB 3.77Å; L247-V250 HydrophobicContact CD2-CG1 4.21Å; L247-V250 HydrophobicContact CD2-CG2 3.87Å; L247-V250 HydrophobicContact CG-CB 4.02Å; L247-V250 HydrophobicContact CG-CG2 4.23Å; L247-G251 PolarHBondContact O-N 3.01Å; L247-R252 HydrophobicContact CB-CB 4.13Å; L247-R252 WeakPolarHBondContact CB-O 3.31Å; L247-R252 HydrophobicContact CD2-CB 4.25Å; L247-R252 PolarHBondContact N-O 3.05Å; L247-L254 HydrophobicContact CB-CD1 3.92Å; L247-L254 HydrophobicContact CB-CG 4.14Å; L247-L254 HydrophobicContact CD1-CD1 4.22Å; L247-L254 HydrophobicContact CG-CD1 4.47Å
248P92.9Very high94.5Very high6 Ų649.7 Ų49.74%0.03929%0.286CS..THydrogen-bonded Turntrans-51.1145.7176.3-34.241.1000113.6K202 Y203 M222 I246 V250 L325 L330K202-P248 WeakPolarHBondContact O-CG 3.47Å; Y203-P248 HydrophobicContact CD2-CG 4.05Å; Y203-P248 HydrophobicContact CE2-CG 4.16Å; Y203-P248 HydrophobicContact CG-CG 4.32Å; M222-P248 HydrophobicContact CE-CB 3.82Å; M222-P248 HydrophobicContact CE-CG 4Å; I246-P248 WeakPolarHBondContact O-CD 3.28Å; P248-V250 PolarHBondContact O-N 3.45Å; P248-L325 HydrophobicContact CB-CD2 3.6Å; P248-L330 HydrophobicContact CB-CD1 3.75Å; P248-L330 HydrophobicContact CG-CD1 4.14Å
249I90.5Very high94.7Very high52 Ų5246.1 Ų46.127%0.26727%0.271SS..THydrogen-bonded Turntrans67.6-48.4-178.2-47.5-60.4000114.7Y309 L321 D324 L325I249-Y309 HydrophobicContact CG2-CE2 3.93Å; I249-L321 HydrophobicContact CG1-CD1 3.86Å; I249-D324 HydrophobicContact CD1-CB 4.42Å; I249-L325 HydrophobicContact CD1-CD2 4.17Å; I249-L325 HydrophobicContact CG1-CD2 3.94Å
250V91.2Very high94.9Very high59 Ų5946.1 Ų46.136%0.35827%0.266SS..THydrogen-bonded Turntrans-79.6-35.7-175.5-176.80000111.9L223 L247 P248 R252L223-V250 HydrophobicContact CB-CG2 4.35Å; L223-V250 HydrophobicContact CD2-CG2 3.59Å; L247-V250 HydrophobicContact CD2-CB 3.77Å; L247-V250 HydrophobicContact CD2-CG1 4.21Å; L247-V250 HydrophobicContact CD2-CG2 3.87Å; L247-V250 HydrophobicContact CG-CB 4.02Å; L247-V250 HydrophobicContact CG-CG2 4.23Å; P248-V250 PolarHBondContact O-N 3.45Å; V250-R252 VanDerWaalsContact C-N 3.34Å; V250-R252 HydrophobicContact CG1-CB 4.19Å
251G92.5Very high94.8Very high47 Ų4750.1 Ų50.149%0.48528%0.28SS..  trans79.311.1-179.800000115L247L247-G251 PolarHBondContact O-N 3.01Å
252R94.8Very high94.8Very high74 Ų7447.5 Ų47.528%0.27927%0.266SS..  trans-71137.5176.3-164.3-167.3-33-105.41.9110.4L223 D225 L247 V250 L254L223-R252 PolarHBondContact O-NH2 3.36Å; D225-R252 PolarHBondContact O-NE 2.84Å; L247-R252 HydrophobicContact CB-CB 4.13Å; L247-R252 WeakPolarHBondContact CB-O 3.31Å; L247-R252 HydrophobicContact CD2-CB 4.25Å; L247-R252 PolarHBondContact N-O 3.05Å; V250-R252 VanDerWaalsContact C-N 3.34Å; V250-R252 HydrophobicContact CG1-CB 4.19Å; R252-L254 HydrophobicContact CB-CD2 4.46Å; R252-L254 HydrophobicContact CG-CD2 4.22Å
253E96.6Very high94.7Very high127 Ų12749 Ų4959%0.59326%0.259SS*.EExtended strand (participates in β ladder)trans-78.6130169.4-68.9-167.7-157.600110.7V245 I246V245-E253 CarbonylContact O-C 3.59Å; V245-E253 WeakPolarHBondContact O-CA 3.34Å; I246-E253 HydrophobicContact CD1-CG 3.7Å
254L97.3Very high94.6Very high1 Ų148.2 Ų48.21%0.00526%0.258CS..EExtended strand (participates in β ladder)trans-119.8133.2179.2-50.2178.7000110.2Y203 D225 T244 V245 L247 R252Y203-L254 HydrophobicContact CD1-CD1 4.33Å; Y203-L254 HydrophobicContact CE1-CD1 3.98Å; D225-L254 HydrophobicContact CB-CD1 3.59Å; D225-L254 HydrophobicContact CB-CD2 4.41Å; D225-L254 VanDerWaalsContact O-CD2 3.24Å; D225-L254 WeakPolarHBondContact O-CD2 3.37Å; T244-L254 CarbonylContact C-O 3.47Å; T244-L254 WeakPolarHBondContact CA-O 3.11Å; V245-L254 HydrophobicContact CG2-CB 3.86Å; V245-L254 HydrophobicContact CG2-CD1 4.4Å; V245-L254 HydrophobicContact CG2-CG 4.49Å; V245-L254 PolarHBondContact N-O 3.39Å; V245-L254 PolarHBondContact O-N 3.33Å; L247-L254 HydrophobicContact CB-CD1 3.92Å; L247-L254 HydrophobicContact CB-CG 4.14Å; L247-L254 HydrophobicContact CD1-CD1 4.22Å; L247-L254 HydrophobicContact CG-CD1 4.47Å; R252-L254 HydrophobicContact CB-CD2 4.46Å; R252-L254 HydrophobicContact CG-CD2 4.22Å
255P97.4Very high94.3Very high45 Ų4552.9 Ų52.929%0.29228%0.281SS..EExtended strand (participates in β ladder)trans-71.9147.2172.631.1-34.9000111.8T226 A227 I228 L257T226-P255 WeakPolarHBondContact O-CD 3.43Å; A227-P255 WeakPolarHBondContact CA-O 3.26Å; A227-P255 HydrophobicContact CB-CG 4.14Å; I228-P255 PolarHBondContact N-O 3.47Å; P255-L257 HydrophobicContact CB-CD2 4.14Å; P255-L257 HydrophobicContact CB-CG 4.33Å; P255-L257 HydrophobicContact CG-CG 4.4Å
256I97.5Very high93.9Very high0 Ų058.7 Ų58.70%031%0.306CS..EExtended strand (participates in β ladder)trans-94.1119.3165-58.6175.6000108.7Y205 I212 I228 V230 V240 G242 K243 V245Y205-I256 HydrophobicContact CD1-CD1 4.2Å; Y205-I256 HydrophobicContact CE1-CD1 3.65Å; I212-I256 HydrophobicContact CD1-CD1 4.24Å; I228-I256 HydrophobicContact CB-CG1 4.21Å; I228-I256 CarbonylContact O-C 3.58Å; I228-I256 WeakPolarHBondContact O-CA 3.35Å; V230-I256 HydrophobicContact CG1-CG2 4.3Å; V230-I256 HydrophobicContact CG2-CG2 4.13Å; V240-I256 HydrophobicContact CB-CD1 4.1Å; V240-I256 HydrophobicContact CG2-CD1 4.14Å; V240-I256 HydrophobicContact CG2-CG2 4.38Å; V240-I256 WeakPolarHBondContact O-CB 3.3Å; G242-I256 PolarHBondContact N-O 2.61Å; K243-I256 HydrophobicContact CB-CD1 4.37Å; K243-I256 PolarHBondContact O-N 3Å; V245-I256 HydrophobicContact CG1-CD1 3.8Å; V245-I256 HydrophobicContact CG1-CG1 4.15Å
257L96.8Very high93.5Very high39 Ų3957.9 Ų57.920%0.20431%0.311CS..EExtended strand (participates in β ladder)trans-116.5159.4-175.2-58.4178.5000111.5A227 I228 V229 V230 P255 H288 L290A227-L257 HydrophobicContact CB-CD1 3.99Å; A227-L257 HydrophobicContact CB-CG 4.45Å; I228-L257 PolarHBondContact O-N 3Å; V229-L257 WeakPolarHBondContact CA-O 3.14Å; V229-L257 HydrophobicContact CG1-CB 4.07Å; V230-L257 PolarHBondContact N-O 3.24Å; P255-L257 HydrophobicContact CB-CD2 4.14Å; P255-L257 HydrophobicContact CB-CG 4.33Å; P255-L257 HydrophobicContact CG-CG 4.4Å; L257-H288 HydrophobicContact CD1-CB 3.77Å; L257-L290 HydrophobicContact CD1-CD2 3.92Å
258A95.8Very high93.3Very high37 Ų3758.2 Ų58.231%0.30631%0.313SS..EExtended strand (participates in β ladder)trans-97.3125.5173.700000110.3V230 P232 I241 H288V230-A258 WeakPolarHBondContact O-CA 3.24Å; P232-A258 HydrophobicContact CB-CB 4.13Å; I241-A258 HydrophobicContact CD1-CB 4.1Å; I241-A258 HydrophobicContact CG2-CB 4.35Å; A258-H288 PolarHBondContact O-CE1 3Å; A258-H288 VanDerWaalsContact O-CE1 3.28Å
259D95.1Very high93.1Very high12 Ų1257.9 Ų57.96%0.06431%0.311CS..  trans-144.8131173.7-161.7-61.6000110.4V229 V230 Y261 V262 R287 H288V229-D259 HydrophobicContact CB-CB 4.12Å; V229-D259 HydrophobicContact CG1-CB 3.97Å; V230-D259 PolarHBondContact O-N 3.18Å; D259-Y261 PolarHBondContact O-N 2.95Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.26Å; D259-Y261 PolarHBondContact OD1-N 3.39Å; D259-V262 PolarHBondContact O-N 3.4Å; D259-R287 VanDerWaalsContact CG-NH2 3.3Å; D259-R287 IonicContact OD1-CZ 2.83Å; D259-R287 IonicContact OD1-NE 3.76Å; D259-R287 IonicContact OD1-NH2 3.05Å; D259-R287 PolarHBondContact OD1-NH2 3.34Å; D259-R287 IonicContact OD2-CZ 3.99Å; D259-R287 IonicContact OD2-NE 3.52Å; D259-R287 PolarHBondContact OD2-NE 3.5Å; D259-R287 VanDerWaalsContact OD2-NE 3.12Å; D259-R287 IonicContact OD2-NH2 3.29Å; D259-R287 PolarHBondContact OD2-NH2 3.13Å; D259-H288 IonicContact OD2-CD2 3.55Å; D259-H288 PolarHBondContact OD2-CD2 2.95Å; D259-H288 IonicContact OD2-CE1 3.49Å; D259-H288 IonicContact OD2-NE2 2.75Å; D259-H288 PolarHBondContact OD2-NE2 3.42Å
260E93Very high93.3Very high151 Ų15155.7 Ų55.771%0.70630%0.301SS*.THydrogen-bonded Turntrans-70.9-12.3-178.8-67-173.6165.200113.3P232 V262P232-E260 HydrophobicContact CG-CG 3.88Å; E260-V262 PolarHBondContact O-N 3.47Å
261Y92.1Very high93.5Very high102 Ų10255.1 Ų55.140%0.430%0.295SS..THydrogen-bonded Turntrans-60.4-28.9173.8-178.7-90.5000112.8D259 D263 M271 N280 I284D259-Y261 PolarHBondContact O-N 2.95Å; D259-Y261 WeakPolarHBondContact OD1-CB 3.26Å; D259-Y261 PolarHBondContact OD1-N 3.39Å; Y261-D263 PolarHBondContact O-N 2.84Å; Y261-M271 HydrophobicContact CD1-CE 4.01Å; Y261-M271 HydrophobicContact CD1-SD 4.49Å; Y261-M271 HydrophobicContact CE1-CE 4.03Å; Y261-M271 HydrophobicContact CE1-SD 4.2Å; Y261-N280 HydrophobicContact CE1-CB 4.03Å; Y261-N280 HydrophobicContact CE2-CB 3.96Å; Y261-N280 VanDerWaalsContact CZ-CB 3.47Å; Y261-N280 WeakPolarHBondContact OH-CB 3.16Å; Y261-N280 PolarHBondContact OH-ND2 2.67Å; Y261-N280 PolarHBondContact OH-OD1 3Å; Y261-I284 HydrophobicContact CD1-CD1 3.64Å; Y261-I284 HydrophobicContact CE1-CD1 4.23Å; Y261-I284 HydrophobicContact CG-CD1 4.01Å; Y261-I284 HydrophobicContact CG-CG1 4.48Å
262V91.7Very high93.7Very high8 Ų853.1 Ų53.15%0.04827%0.273CS..SBendtrans-73122.5-176.8-176.10000110.4V229 N231 D259 E260 G269 M271V229-V262 HydrophobicContact CB-CG2 3.84Å; V229-V262 HydrophobicContact CG2-CG2 3.42Å; V229-V262 VanDerWaalsContact CG2-CG2 3.42Å; N231-V262 HydrophobicContact CB-CB 4.34Å; N231-V262 WeakPolarHBondContact CB-O 3.43Å; N231-V262 PolarHBondContact ND2-O 3.37Å; D259-V262 PolarHBondContact O-N 3.4Å; E260-V262 PolarHBondContact O-N 3.47Å; V262-G269 WeakPolarHBondContact CG1-O 3.28Å; V262-M271 HydrophobicContact CG2-CB 4.33Å
263D91.5Very high93.8Very high96 Ų9649.6 Ų49.651%0.51326%0.26SS..  trans-74.5126.3169.8-173.3-16.7000110.2Y261 D265 F266Y261-D263 PolarHBondContact O-N 2.84Å; D263-D265 VanDerWaalsContact C-N 3.27Å; D263-D265 PolarHBondContact O-N 2.96Å; D263-D265 PolarHBondContact OD1-N 2.91Å; D263-F266 HydrophobicContact CB-CB 3.81Å; D263-F266 PolarHBondContact O-N 2.89Å
264I92.7Very high93.8Very high54 Ų5443.7 Ų43.728%0.27723%0.232SC..SBendtrans-63.2-35.4-179.9-62.2178.5000111.1N231 N233 D234 R236N231-I264 HydrophobicContact CB-CD1 4.28Å; N231-I264 HydrophobicContact CB-CG1 3.67Å; N233-I264 HydrophobicContact CB-CD1 4.26Å; D234-I264 HydrophobicContact CB-CD1 4.45Å; D234-I264 HydrophobicContact CB-CG1 4.25Å; D234-I264 HydrophobicContact CB-CG2 4.42Å; R236-I264 PolarHBondContact NH2-O 3.17Å
265D91.2Very high93.7Very high149 Ų14943.7 Ų43.780%0.79723%0.232SC*.SBendtrans-90.8-12.3-173.5-67.6-36.1000112.6D263D263-D265 VanDerWaalsContact C-N 3.27Å; D263-D265 PolarHBondContact O-N 2.96Å; D263-D265 PolarHBondContact OD1-N 2.91Å
266F89.3Confident93.6Very high121 Ų12141.5 Ų41.553%0.53122%0.218SC..SBendtrans-87.7127.2-179.2-169.4-104.3000112.6F198 D263 S268 G269F198-F266 HydrophobicContact CE1-CZ 4.43Å; F198-F266 HydrophobicContact CE2-CE1 4.12Å; F198-F266 HydrophobicContact CE2-CZ 4.2Å; F198-F266 HydrophobicContact CZ-CD1 4.39Å; F198-F266 AromaticContact CZ-CE1 3.64Å; F198-F266 HydrophobicContact CZ-CE1 3.64Å; F198-F266 AromaticContact CZ-CZ 3.79Å; F198-F266 HydrophobicContact CZ-CZ 3.79Å; D263-F266 HydrophobicContact CB-CB 3.81Å; D263-F266 PolarHBondContact O-N 2.89Å; F266-S268 PolarHBondContact O-N 2.76Å; F266-S268 VanDerWaalsContact O-N 3.15Å; F266-G269 PolarHBondContact O-N 3.09Å
267G87.9Confident93.5Very high36 Ų3641.6 Ų41.637%0.37122%0.219SC..THydrogen-bonded Turntrans60.2-115.8178.900000112.2
268S91.1Very high93.3Very high6 Ų642 Ų424%0.04222%0.221CC..THydrogen-bonded Turntrans-98.5-6.217761.20000113.9E213 Y237 F266 A270E213-S268 VanDerWaalsContact O-CB 3.25Å; E213-S268 WeakPolarHBondContact O-CB 3.49Å; E213-S268 PolarHBondContact O-OG 3.36Å; Y237-S268 VanDerWaalsContact CE2-O 3.27Å; Y237-S268 WeakPolarHBondContact CE2-O 3.42Å; Y237-S268 PolarHBondContact OH-O 3.32Å; F266-S268 PolarHBondContact O-N 2.76Å; F266-S268 VanDerWaalsContact O-N 3.15Å; S268-A270 PolarHBondContact OG-N 3.18Å; S268-A270 PolarHBondContact OG-O 3.38Å; S268-A270 VanDerWaalsContact OG-O 3.05Å
269G90.1Very high93.1Very high0 Ų042.5 Ų42.50%022%0.221CC..SBendtrans75.56.1-165.200000114.1V262 F266V262-G269 WeakPolarHBondContact CG1-O 3.28Å; F266-G269 PolarHBondContact O-N 3.09Å
270A94.3Very high93Very high6 Ų644.5 Ų44.55%0.0523%0.232CC..EExtended strand (participates in β ladder)trans-129.3134.4173.300000110.1I212 I214 I228 V229 V230 Y237 S268I212-A270 HydrophobicContact CD1-CB 3.79Å; I212-A270 HydrophobicContact CG1-CB 4.05Å; I214-A270 HydrophobicContact CD1-CB 3.87Å; I228-A270 HydrophobicContact CG2-CB 4.38Å; V229-A270 WeakPolarHBondContact O-CA 3.29Å; V230-A270 HydrophobicContact CG1-CB 3.68Å; Y237-A270 HydrophobicContact CE1-CB 4.49Å; Y237-A270 HydrophobicContact CE2-CB 4.1Å; S268-A270 PolarHBondContact OG-N 3.18Å; S268-A270 PolarHBondContact OG-O 3.38Å; S268-A270 VanDerWaalsContact OG-O 3.05Å
271M94.8Very high93.1Very high46 Ų4637.8 Ų37.823%0.22720%0.2CC..EExtended strand (participates in β ladder)trans-124.8137.4-173.1-170.8-177.882.700111I228 V229 Y261 V262 D281 I284I228-M271 CarbonylContact C-O 3.43Å; I228-M271 WeakPolarHBondContact CA-O 3.42Å; V229-M271 HydrophobicContact CG2-CB 4.01Å; V229-M271 HydrophobicContact CG2-CE 3.9Å; V229-M271 PolarHBondContact N-O 2.83Å; V229-M271 PolarHBondContact O-N 2.64Å; Y261-M271 HydrophobicContact CD1-CE 4.01Å; Y261-M271 HydrophobicContact CD1-SD 4.49Å; Y261-M271 HydrophobicContact CE1-CE 4.03Å; Y261-M271 HydrophobicContact CE1-SD 4.2Å; V262-M271 HydrophobicContact CG2-CB 4.33Å; M271-D281 WeakPolarHBondContact CE-OD1 3.35Å; M271-I284 HydrophobicContact CE-CD1 3.48Å; M271-I284 VanDerWaalsContact CE-CD1 3.48Å
272K96.4Very high93.2Very high6 Ų634 Ų343%0.02619%0.186CC..EExtended strand (participates in β ladder)trans-76.3136.2170.149.4154.2-93.439.20111.3I214 T216 T221 M222 D225 I228 T274I214-K272 HydrophobicContact CG2-CB 3.74Å; I214-K272 HydrophobicContact CG2-CD 4.41Å; I214-K272 HydrophobicContact CG2-CG 3.63Å; T216-K272 HydrophobicContact CG2-CD 4.36Å; T221-K272 WeakPolarHBondContact OG1-CE 3.36Å; M222-K272 HydrophobicContact CB-CD 4.26Å; D225-K272 WeakPolarHBondContact OD1-CD 3.29Å; D225-K272 WeakPolarHBondContact OD1-CE 3.2Å; D225-K272 IonicContact OD1-NZ 2.72Å; D225-K272 PolarHBondContact OD1-NZ 2.95Å; D225-K272 WeakPolarHBondContact OD2-CB 3.14Å; I228-K272 HydrophobicContact CD1-CB 3.94Å; K272-T274 PolarHBondContact NZ-OG1 2.82Å
273V97.4Very high93.2Very high0 Ų038.2 Ų38.20%021%0.205CC..EExtended strand (participates in β ladder)trans-102.6117.6177.4-167.10000110.3D225 T226 A227 V229 P275 D281 I284 L290D225-V273 WeakPolarHBondContact CA-O 3.4Å; T226-V273 PolarHBondContact N-O 2.93Å; A227-V273 HydrophobicContact CB-CB 4.26Å; A227-V273 HydrophobicContact CB-CG2 4.21Å; A227-V273 PolarHBondContact O-N 3.17Å; V229-V273 HydrophobicContact CB-CG2 4.16Å; V229-V273 HydrophobicContact CG1-CG2 3.64Å; V229-V273 HydrophobicContact CG2-CG2 3.59Å; V273-P275 HydrophobicContact CG1-CG 3.96Å; V273-D281 HydrophobicContact CG1-CB 3.91Å; V273-I284 HydrophobicContact CG1-CB 4.21Å; V273-I284 HydrophobicContact CG1-CG2 3.92Å; V273-I284 HydrophobicContact CG2-CG2 4.02Å; V273-L290 HydrophobicContact CB-CD1 4.22Å; V273-L290 HydrophobicContact CG1-CD1 3.85Å
274T96.5Very high93.3Very high3 Ų333.6 Ų33.62%0.01818%0.181CC..  trans-118.978.3173.728.10000111.5T221 D225 K272 A276 H277 D278 D281T221-T274 WeakPolarHBondContact O-CG2 3.44Å; D225-T274 WeakPolarHBondContact OD1-CG2 3.32Å; K272-T274 PolarHBondContact NZ-OG1 2.82Å; T274-A276 PolarHBondContact O-N 3.14Å; T274-H277 PolarHBondContact O-N 3.34Å; T274-D278 PolarHBondContact O-N 2.64Å; T274-D281 VanDerWaalsContact C-CB 3.49Å; T274-D281 WeakPolarHBondContact CA-OD2 3.48Å; T274-D281 PolarHBondContact N-OD2 3.29Å; T274-D281 WeakPolarHBondContact O-CB 3.22Å; T274-D281 PolarHBondContact OG1-OD2 2.81Å
275P95.4Very high93.4Very high0 Ų031 Ų310%017%0.168CC..THydrogen-bonded Turntrans-56.2-24.5-171.4-29.938.5000115.2I173 T226 V273 F282 L290 N292I173-P275 WeakPolarHBondContact CD1-O 3.27Å; T226-P275 WeakPolarHBondContact OG1-CD 3.49Å; T226-P275 WeakPolarHBondContact OG1-CG 3.43Å; V273-P275 HydrophobicContact CG1-CG 3.96Å; P275-F282 VanDerWaalsContact O-CB 3.29Å; P275-F282 WeakPolarHBondContact O-CB 3.44Å; P275-F282 VanDerWaalsContact O-CD2 3.32Å; P275-F282 WeakPolarHBondContact O-CD2 3.31Å; P275-L290 HydrophobicContact CG-CB 4.17Å; P275-N292 WeakPolarHBondContact CB-OD1 3.5Å
276A95.2Very high93.5Very high0 Ų029.1 Ų29.10%015%0.154CC..THydrogen-bonded Turntrans-89.5-3.6-178.400000115.4I173 T274 I293 I294 L355I173-A276 WeakPolarHBondContact CD1-O 3.47Å; T274-A276 PolarHBondContact O-N 3.14Å; A276-I293 WeakPolarHBondContact CB-O 3.46Å; A276-I294 HydrophobicContact CB-CG1 3.88Å; A276-L355 HydrophobicContact CB-CB 4.11Å; A276-L355 HydrophobicContact CB-CD2 4.24Å; A276-L355 PolarHBondContact O-N 3.29Å
277H95.4Very high93.7Very high2 Ų229.4 Ų29.41%0.00915%0.151CC..THydrogen-bonded Turntrans-135.33.6-171.4-56.9-80.8000115R218 T221 T274 I293 V295 P353R218-H277 PolarHBondContact NH1-O 3.47Å; T221-H277 HydrophobicContact CG2-CB 3.83Å; T274-H277 PolarHBondContact O-N 3.34Å; H277-I293 PolarHBondContact NE2-O 3.38Å; H277-I293 VanDerWaalsContact NE2-O 3.08Å; H277-V295 PolarHBondContact CE1-N 3.46Å; H277-V295 PolarHBondContact NE2-N 3.19Å; H277-V295 VanDerWaalsContact NE2-N 3.19Å; H277-P353 WeakPolarHBondContact CA-O 3.37Å; H277-P353 WeakPolarHBondContact O-CB 3.47Å
278D93.2Very high94.1Very high48 Ų4830.7 Ų30.726%0.25715%0.147SC..  trans-148.4134.7174.3-177.4-84.8000110.8T274 N280 D281 F282T274-D278 PolarHBondContact O-N 2.64Å; D278-N280 VanDerWaalsContact C-N 3.33Å; D278-N280 PolarHBondContact O-N 3.11Å; D278-N280 WeakPolarHBondContact OD1-CA 3.38Å; D278-N280 VanDerWaalsContact OD1-CB 3.29Å; D278-N280 WeakPolarHBondContact OD1-CB 3.4Å; D278-N280 PolarHBondContact OD1-N 3.48Å; D278-N280 PolarHBondContact OD1-ND2 3.25Å; D278-N280 VanDerWaalsContact OD1-ND2 3.09Å; D278-D281 HydrophobicContact CB-CB 3.87Å; D278-D281 PolarHBondContact O-N 3.31Å; D278-D281 PolarHBondContact OD1-N 3.5Å; D278-D281 VanDerWaalsContact OD1-N 3.1Å; D278-F282 WeakPolarHBondContact O-CB 3.17Å; D278-F282 PolarHBondContact O-N 3.16Å
279P90.6Very high94.2Very high47 Ų4739.1 Ų39.131%0.30519%0.186SC..Hα-helixtrans-60.6-37.9-178.1-19.629.3000113.9I173 F282 E283I173-P279 HydrophobicContact CB-CB 4.28Å; I173-P279 HydrophobicContact CB-CG 4.27Å; I173-P279 HydrophobicContact CG2-CB 4.21Å; I173-P279 HydrophobicContact CG2-CG 3.65Å; P279-F282 WeakPolarHBondContact O-CB 3.39Å; P279-F282 PolarHBondContact O-N 2.92Å; P279-E283 PolarHBondContact O-N 3.26Å
280N92.6Very high94.4Very high54 Ų5440.3 Ų40.329%0.28919%0.193SC..Hα-helixtrans-75.8-40.7-178.9-48.1-82000110.4Y261 D278 F282 E283 I284Y261-N280 HydrophobicContact CE1-CB 4.03Å; Y261-N280 HydrophobicContact CE2-CB 3.96Å; Y261-N280 VanDerWaalsContact CZ-CB 3.47Å; Y261-N280 WeakPolarHBondContact OH-CB 3.16Å; Y261-N280 PolarHBondContact OH-ND2 2.67Å; Y261-N280 PolarHBondContact OH-OD1 3Å; D278-N280 VanDerWaalsContact C-N 3.33Å; D278-N280 PolarHBondContact O-N 3.11Å; D278-N280 WeakPolarHBondContact OD1-CA 3.38Å; D278-N280 VanDerWaalsContact OD1-CB 3.29Å; D278-N280 WeakPolarHBondContact OD1-CB 3.4Å; D278-N280 PolarHBondContact OD1-N 3.48Å; D278-N280 PolarHBondContact OD1-ND2 3.25Å; D278-N280 VanDerWaalsContact OD1-ND2 3.09Å; N280-F282 PolarHBondContact O-N 3.21Å; N280-E283 PolarHBondContact O-N 2.89Å; N280-E283 VanDerWaalsContact O-N 3.16Å; N280-I284 WeakPolarHBondContact O-CG1 3.43Å; N280-I284 PolarHBondContact O-N 3.45Å
281D95.3Very high94.4Very high9 Ų946 Ų465%0.04822%0.218CC..Hα-helixtrans-60.3-34.9172.8-69-12.9000111.6M271 V273 T274 D278 I284 G285M271-D281 WeakPolarHBondContact CE-OD1 3.35Å; V273-D281 HydrophobicContact CG1-CB 3.91Å; T274-D281 VanDerWaalsContact C-CB 3.49Å; T274-D281 WeakPolarHBondContact CA-OD2 3.48Å; T274-D281 PolarHBondContact N-OD2 3.29Å; T274-D281 WeakPolarHBondContact O-CB 3.22Å; T274-D281 PolarHBondContact OG1-OD2 2.81Å; D278-D281 HydrophobicContact CB-CB 3.87Å; D278-D281 PolarHBondContact O-N 3.31Å; D278-D281 PolarHBondContact OD1-N 3.5Å; D278-D281 VanDerWaalsContact OD1-N 3.1Å; D281-I284 PolarHBondContact O-N 3.15Å; D281-G285 PolarHBondContact O-N 3.08Å
282F94Very high94.4Very high22 Ų2245.6 Ų45.610%0.09622%0.217CC..Hα-helixtrans-63.5-46.2174.3-177.5-105.5000111.4E171 R172 I173 P275 D278 P279 N280 I284 G285 Q286 L355E171-F282 WeakPolarHBondContact O-CZ 3.34Å; R172-F282 HydrophobicContact CG-CE1 4.45Å; I173-F282 HydrophobicContact CD1-CB 4.46Å; I173-F282 HydrophobicContact CG1-CB 3.54Å; I173-F282 HydrophobicContact CG1-CD2 4.32Å; I173-F282 HydrophobicContact CG1-CG 3.92Å; P275-F282 VanDerWaalsContact O-CB 3.29Å; P275-F282 WeakPolarHBondContact O-CB 3.44Å; P275-F282 VanDerWaalsContact O-CD2 3.32Å; P275-F282 WeakPolarHBondContact O-CD2 3.31Å; D278-F282 WeakPolarHBondContact O-CB 3.17Å; D278-F282 PolarHBondContact O-N 3.16Å; P279-F282 WeakPolarHBondContact O-CB 3.39Å; P279-F282 PolarHBondContact O-N 2.92Å; N280-F282 PolarHBondContact O-N 3.21Å; F282-I284 PolarHBondContact O-N 3.27Å; F282-G285 CarbonylContact O-C 3.5Å; F282-G285 WeakPolarHBondContact O-CA 3.48Å; F282-G285 PolarHBondContact O-N 3.42Å; F282-Q286 HydrophobicContact CD1-CG 4.34Å; F282-Q286 HydrophobicContact CE1-CG 4Å; F282-Q286 HydrophobicContact CE2-CG 4.49Å; F282-Q286 HydrophobicContact CZ-CG 4.09Å; F282-Q286 WeakPolarHBondContact O-CG 3.43Å; F282-Q286 PolarHBondContact O-N 2.94Å; F282-L355 HydrophobicContact CD2-CD1 3.85Å; F282-L355 HydrophobicContact CE2-CD1 3.43Å; F282-L355 VanDerWaalsContact CE2-CD1 3.43Å; F282-L355 HydrophobicContact CZ-CD1 4.09Å
283E92Very high94.3Very high97 Ų9745.4 Ų45.445%0.45322%0.216SC..Hα-helixtrans-61.5-43.6176-70.5-178-172.500112.2P279 N280 G285 Q286 R287P279-E283 PolarHBondContact O-N 3.26Å; N280-E283 PolarHBondContact O-N 2.89Å; N280-E283 VanDerWaalsContact O-N 3.16Å; E283-G285 VanDerWaalsContact C-N 3.32Å; E283-G285 PolarHBondContact O-N 2.99Å; E283-Q286 PolarHBondContact O-N 2.95Å; E283-R287 WeakPolarHBondContact O-CG 3.28Å; E283-R287 PolarHBondContact O-N 3.35Å
284I94.8Very high94.2Very high0 Ų047.5 Ų47.50%023%0.227CC..Hα-helixtrans-60-45.3172.9-66.3165.8000109.9V229 Y261 M271 V273 N280 D281 F282 Q286 R287 H288V229-I284 HydrophobicContact CG1-CG2 3.92Å; Y261-I284 HydrophobicContact CD1-CD1 3.64Å; Y261-I284 HydrophobicContact CE1-CD1 4.23Å; Y261-I284 HydrophobicContact CG-CD1 4.01Å; Y261-I284 HydrophobicContact CG-CG1 4.48Å; M271-I284 HydrophobicContact CE-CD1 3.48Å; M271-I284 VanDerWaalsContact CE-CD1 3.48Å; V273-I284 HydrophobicContact CG1-CB 4.21Å; V273-I284 HydrophobicContact CG1-CG2 3.92Å; V273-I284 HydrophobicContact CG2-CG2 4.02Å; N280-I284 WeakPolarHBondContact O-CG1 3.43Å; N280-I284 PolarHBondContact O-N 3.45Å; D281-I284 PolarHBondContact O-N 3.15Å; F282-I284 PolarHBondContact O-N 3.27Å; I284-Q286 VanDerWaalsContact C-N 3.3Å; I284-Q286 PolarHBondContact O-N 3.38Å; I284-R287 PolarHBondContact O-N 2.94Å; I284-R287 VanDerWaalsContact O-N 3.14Å; I284-H288 PolarHBondContact O-CD2 3.2Å; I284-H288 VanDerWaalsContact O-CD2 3.29Å; I284-H288 PolarHBondContact O-N 2.93Å
285G95Very high94.2Very high0 Ų047.3 Ų47.30%023%0.226CC..Hα-helixtrans-57.9-41.7176.900000112.5D281 F282 E283 Q289 L290D281-G285 PolarHBondContact O-N 3.08Å; F282-G285 CarbonylContact O-C 3.5Å; F282-G285 WeakPolarHBondContact O-CA 3.48Å; F282-G285 PolarHBondContact O-N 3.42Å; E283-G285 VanDerWaalsContact C-N 3.32Å; E283-G285 PolarHBondContact O-N 2.99Å; G285-Q289 CarbonylContact O-C 3.59Å; G285-Q289 VanDerWaalsContact O-CA 3.32Å; G285-Q289 WeakPolarHBondContact O-CA 3.44Å; G285-Q289 PolarHBondContact O-N 2.93Å; G285-L290 PolarHBondContact O-N 3.38Å
286Q91.8Very high94.2Very high109 Ų10947.3 Ų47.351%0.50923%0.226SC..Hα-helixtrans-66-43.9173.7-67.1-59.3-48.500112F282 E283 I284 H288 Q289F282-Q286 HydrophobicContact CD1-CG 4.34Å; F282-Q286 HydrophobicContact CE1-CG 4Å; F282-Q286 HydrophobicContact CE2-CG 4.49Å; F282-Q286 HydrophobicContact CZ-CG 4.09Å; F282-Q286 WeakPolarHBondContact O-CG 3.43Å; F282-Q286 PolarHBondContact O-N 2.94Å; E283-Q286 PolarHBondContact O-N 2.95Å; I284-Q286 VanDerWaalsContact C-N 3.3Å; I284-Q286 PolarHBondContact O-N 3.38Å; Q286-H288 VanDerWaalsContact C-N 3.31Å; Q286-H288 PolarHBondContact O-N 3.12Å; Q286-Q289 PolarHBondContact O-N 2.89Å
287R94.1Very high94.2Very high127 Ų12749.8 Ų49.848%0.47924%0.239SC..Hα-helixtrans-59.3-40.9178-73.7-163.4-66.3-107.59.8112.4D259 E283 I284D259-R287 VanDerWaalsContact CG-NH2 3.3Å; D259-R287 IonicContact OD1-CZ 2.83Å; D259-R287 IonicContact OD1-NE 3.76Å; D259-R287 IonicContact OD1-NH2 3.05Å; D259-R287 PolarHBondContact OD1-NH2 3.34Å; D259-R287 IonicContact OD2-CZ 3.99Å; D259-R287 IonicContact OD2-NE 3.52Å; D259-R287 PolarHBondContact OD2-NE 3.5Å; D259-R287 VanDerWaalsContact OD2-NE 3.12Å; D259-R287 IonicContact OD2-NH2 3.29Å; D259-R287 PolarHBondContact OD2-NH2 3.13Å; E283-R287 WeakPolarHBondContact O-CG 3.28Å; E283-R287 PolarHBondContact O-N 3.35Å; I284-R287 PolarHBondContact O-N 2.94Å; I284-R287 VanDerWaalsContact O-N 3.14Å
288H95.5Very high94Very high62 Ų6254.3 Ų54.329%0.28726%0.26SS..Hα-helixtrans-102.57-175.7-63.6-75.3000114.4L257 A258 D259 I284 Q286 L290L257-H288 HydrophobicContact CD1-CB 3.77Å; A258-H288 PolarHBondContact O-CE1 3Å; A258-H288 VanDerWaalsContact O-CE1 3.28Å; D259-H288 IonicContact OD2-CD2 3.55Å; D259-H288 PolarHBondContact OD2-CD2 2.95Å; D259-H288 IonicContact OD2-CE1 3.49Å; D259-H288 IonicContact OD2-NE2 2.75Å; D259-H288 PolarHBondContact OD2-NE2 3.42Å; I284-H288 PolarHBondContact O-CD2 3.2Å; I284-H288 VanDerWaalsContact O-CD2 3.29Å; I284-H288 PolarHBondContact O-N 2.93Å; Q286-H288 VanDerWaalsContact C-N 3.31Å; Q286-H288 PolarHBondContact O-N 3.12Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 HydrophobicContact CB-CD1 4.48Å; H288-L290 HydrophobicContact CB-CD2 4.32Å; H288-L290 HydrophobicContact CB-CG 4.05Å; H288-L290 PolarHBondContact O-N 3.12Å
289Q93.9Very high93.9Very high183 Ų18354.6 Ų54.686%0.85526%0.261SS*.THydrogen-bonded Turntrans56.444.1178.7-56.4167.617.100113.2G285 Q286G285-Q289 CarbonylContact O-C 3.59Å; G285-Q289 VanDerWaalsContact O-CA 3.32Å; G285-Q289 WeakPolarHBondContact O-CA 3.44Å; G285-Q289 PolarHBondContact O-N 2.93Å; Q286-Q289 PolarHBondContact O-N 2.89Å
290L95.3Very high94.1Very high26 Ų2652.4 Ų52.414%0.13625%0.247CC..  trans-81.8152.4178.7-56.8179.9000111.9A227 L257 V273 P275 G285 H288A227-L290 HydrophobicContact CB-CD1 3.5Å; A227-L290 HydrophobicContact CB-CD2 3.98Å; A227-L290 HydrophobicContact CB-CG 4.41Å; L257-L290 HydrophobicContact CD1-CD2 3.92Å; V273-L290 HydrophobicContact CB-CD1 4.22Å; V273-L290 HydrophobicContact CG1-CD1 3.85Å; P275-L290 HydrophobicContact CG-CB 4.17Å; G285-L290 PolarHBondContact O-N 3.38Å; H288-L290 VanDerWaalsContact C-N 3.34Å; H288-L290 HydrophobicContact CB-CD1 4.48Å; H288-L290 HydrophobicContact CB-CD2 4.32Å; H288-L290 HydrophobicContact CB-CG 4.05Å; H288-L290 PolarHBondContact O-N 3.12Å
291E94.3Very high94.2Very high126 Ų12654.5 Ų54.559%0.58925%0.254SS*.  trans-68147173.9-170.1-175.2175.500111.2T226 I293T226-E291 HydrophobicContact CG2-CB 4.25Å; T226-E291 WeakPolarHBondContact CG2-O 3.33Å; T226-E291 PolarHBondContact OG1-O 3.35Å; E291-I293 HydrophobicContact CB-CG1 4.31Å; E291-I293 HydrophobicContact CG-CD1 4.32Å; E291-I293 HydrophobicContact CG-CG1 3.89Å
292N93.3Very high94.3Very high37 Ų3754.2 Ų54.220%0.19825%0.252CS..  trans-99103.6174.8-69.3-30.6000110.9P275 L355P275-N292 WeakPolarHBondContact CB-OD1 3.5Å; N292-L355 HydrophobicContact CB-CD2 3.41Å; N292-L355 VanDerWaalsContact CB-CD2 3.41Å
293I95Very high94.4Very high2 Ų254.5 Ų54.51%0.0126%0.255CS..  trans-106.998.5-174.1-52.2-170.7000111.5T226 A276 H277 E291 V295 K305T226-I293 HydrophobicContact CG2-CB 4.41Å; T226-I293 HydrophobicContact CG2-CD1 3.54Å; T226-I293 HydrophobicContact CG2-CG1 3.65Å; A276-I293 WeakPolarHBondContact CB-O 3.46Å; H277-I293 PolarHBondContact NE2-O 3.38Å; H277-I293 VanDerWaalsContact NE2-O 3.08Å; E291-I293 HydrophobicContact CB-CG1 4.31Å; E291-I293 HydrophobicContact CG-CD1 4.32Å; E291-I293 HydrophobicContact CG-CG1 3.89Å; I293-V295 HydrophobicContact CG2-CG1 4.15Å; I293-V295 PolarHBondContact O-N 3.18Å; I293-K305 HydrophobicContact CG2-CD 3.85Å
294I94.9Very high94.5Very high43 Ų4355.1 Ų55.122%0.22126%0.262CS..  trans-74.2115.7175-58.4172.2000109.5A276 M296 N303 K305 Y354 L355A276-I294 HydrophobicContact CB-CG1 3.88Å; I294-M296 WeakPolarHBondContact CG2-O 3.48Å; I294-N303 PolarHBondContact O-ND2 3.13Å; I294-N303 PolarHBondContact O-OD1 3.1Å; I294-K305 WeakPolarHBondContact O-CD 3.22Å; I294-Y354 HydrophobicContact CG2-CE2 3.93Å; I294-L355 HydrophobicContact CD1-CB 4.39Å; I294-L355 HydrophobicContact CG1-CB 4.37Å
295V96.6Very high94.4Very high0 Ų059.7 Ų59.70%028%0.281CS..  trans-109.3-6.2177.6-62.20000113.7L223 H277 I293 M302 N303 K305L223-V295 HydrophobicContact CB-CG1 4.21Å; H277-V295 PolarHBondContact CE1-N 3.46Å; H277-V295 PolarHBondContact NE2-N 3.19Å; H277-V295 VanDerWaalsContact NE2-N 3.19Å; I293-V295 HydrophobicContact CG2-CG1 4.15Å; I293-V295 PolarHBondContact O-N 3.18Å; V295-M302 HydrophobicContact CB-CE 4.16Å; V295-M302 HydrophobicContact CG2-CE 3.95Å; V295-M302 CarbonylContact O-C 3.54Å; V295-M302 WeakPolarHBondContact O-CA 3.35Å; V295-N303 WeakPolarHBondContact CA-OD1 3.23Å; V295-N303 PolarHBondContact O-N 3.43Å; V295-N303 PolarHBondContact O-OD1 3.4Å; V295-K305 HydrophobicContact CG1-CB 4.16Å
296M96Very high94.4Very high0 Ų059.9 Ų59.90%028%0.283CS..BIsolated β-bridgetrans-116.8141.8176-58.2-175.8-160.500108.7E220 T221 I294 K301 M302 R314 Y354E220-M296 HydrophobicContact CB-CE 4.37Å; E220-M296 HydrophobicContact CG-CE 3.42Å; E220-M296 VanDerWaalsContact CG-CE 3.42Å; T221-M296 HydrophobicContact CG2-CE 3.88Å; I294-M296 WeakPolarHBondContact CG2-O 3.48Å; M296-K301 CarbonylContact C-O 3.53Å; M296-K301 VanDerWaalsContact CA-O 3.25Å; M296-K301 WeakPolarHBondContact CA-O 3.48Å; M296-M302 HydrophobicContact CE-SD 4.37Å; M296-M302 HydrophobicContact CG-CE 4.35Å; M296-M302 HydrophobicContact CG-SD 3.92Å; M296-R314 HydrophobicContact CE-CB 4.23Å; M296-R314 HydrophobicContact SD-CB 3.83Å; M296-Y354 WeakPolarHBondContact O-CE2 3.41Å
297D94.1Very high94.3Very high51 Ų5156.8 Ų56.827%0.27328%0.28SS..  trans-82.9177.7171.677.9-4.4000111.4N299 G300 K301D297-N299 PolarHBondContact O-N 3.27Å; D297-N299 WeakPolarHBondContact OD1-CA 3.44Å; D297-N299 VanDerWaalsContact OD1-CB 3.26Å; D297-N299 WeakPolarHBondContact OD1-CB 3.43Å; D297-N299 PolarHBondContact OD1-N 3.46Å; D297-N299 PolarHBondContact OD2-ND2 2.9Å; D297-N299 VanDerWaalsContact OD2-ND2 3.08Å; D297-G300 PolarHBondContact O-N 3.44Å; D297-G300 PolarHBondContact OD1-N 3.33Å; D297-K301 PolarHBondContact N-O 3.47Å; D297-K301 WeakPolarHBondContact OD1-CA 3.42Å; D297-K301 WeakPolarHBondContact OD1-CB 3.49Å; D297-K301 PolarHBondContact OD1-N 2.94Å
298E91.1Very high94.2Very high97 Ų9756.8 Ų56.845%0.45328%0.284SS..THydrogen-bonded Turntrans-60.8-12.4177.4-68.5178.7-173.600114.5W176W176-E298 HydrophobicContact CH2-CG 4.49Å; W176-E298 HydrophobicContact CZ2-CB 3.83Å; W176-E298 HydrophobicContact CZ2-CG 3.93Å; W176-E298 PolarHBondContact NE1-O 2.86Å
299N91.9Very high94.3Very high54 Ų5454 Ų5429%0.28927%0.27SS..THydrogen-bonded Turntrans-93.9-1.9175.9-57.7-66.6000113R181 D297 K301R181-N299 PolarHBondContact NE-OD1 2.95Å; R181-N299 PolarHBondContact NH2-OD1 2.84Å; D297-N299 PolarHBondContact O-N 3.27Å; D297-N299 WeakPolarHBondContact OD1-CA 3.44Å; D297-N299 VanDerWaalsContact OD1-CB 3.26Å; D297-N299 WeakPolarHBondContact OD1-CB 3.43Å; D297-N299 PolarHBondContact OD1-N 3.46Å; D297-N299 PolarHBondContact OD2-ND2 2.9Å; D297-N299 VanDerWaalsContact OD2-ND2 3.08Å; N299-K301 VanDerWaalsContact C-N 3.27Å; N299-K301 HydrophobicContact CB-CG 4.25Å
300G94.1Very high94.4Very high1 Ų151.3 Ų51.31%0.0126%0.258CS..SBendtrans71.423.4-169.400000112.8D297 R314D297-G300 PolarHBondContact O-N 3.44Å; D297-G300 PolarHBondContact OD1-N 3.33Å; G300-R314 VanDerWaalsContact O-CB 3.27Å; G300-R314 WeakPolarHBondContact O-CB 3.42Å; G300-R314 WeakPolarHBondContact O-CG 3.38Å; G300-R314 PolarHBondContact O-N 3.46Å
301K96.2Very high94.4Very high98 Ų9852.4 Ų52.443%0.42628%0.275SS..BIsolated β-bridgetrans-98.6149.2171.1-66.8-173.9176.8-174.10110.6M296 D297 N299 N303 M312M296-K301 CarbonylContact C-O 3.53Å; M296-K301 VanDerWaalsContact CA-O 3.25Å; M296-K301 WeakPolarHBondContact CA-O 3.48Å; D297-K301 PolarHBondContact N-O 3.47Å; D297-K301 WeakPolarHBondContact OD1-CA 3.42Å; D297-K301 WeakPolarHBondContact OD1-CB 3.49Å; D297-K301 PolarHBondContact OD1-N 2.94Å; N299-K301 VanDerWaalsContact C-N 3.27Å; N299-K301 HydrophobicContact CB-CG 4.25Å; K301-N303 PolarHBondContact O-N 3.01Å; K301-M312 CarbonylContact C-O 3.6Å; K301-M312 VanDerWaalsContact CA-O 3.26Å; K301-M312 WeakPolarHBondContact CA-O 3.22Å
302M97.4Very high94.6Very high3 Ų349.6 Ų49.62%0.01526%0.263CS..BIsolated β-bridgetrans-67.4132.7177.7-54.4-51.2-62.300110.9L223 V295 M296 A306 Y309 G311 M312 R314 C317L223-M302 HydrophobicContact CD1-CE 3.76Å; V295-M302 HydrophobicContact CB-CE 4.16Å; V295-M302 HydrophobicContact CG2-CE 3.95Å; V295-M302 CarbonylContact O-C 3.54Å; V295-M302 WeakPolarHBondContact O-CA 3.35Å; M296-M302 HydrophobicContact CE-SD 4.37Å; M296-M302 HydrophobicContact CG-CE 4.35Å; M296-M302 HydrophobicContact CG-SD 3.92Å; M302-A306 HydrophobicContact CB-CB 3.68Å; M302-A306 HydrophobicContact CE-CB 3.6Å; M302-A306 HydrophobicContact CG-CB 4.42Å; M302-Y309 VanDerWaalsContact CB-O 3.3Å; M302-Y309 WeakPolarHBondContact CB-O 3.14Å; M302-G311 PolarHBondContact O-N 3.1Å; M302-M312 HydrophobicContact CG-CB 4.39Å; M302-M312 PolarHBondContact N-O 3.22Å; M302-R314 HydrophobicContact SD-CB 4.42Å; M302-C317 HydrophobicContact CG-CB 3.48Å; M302-C317 VanDerWaalsContact CG-CB 3.48Å; M302-C317 VanDerWaalsContact CG-SG 3.59Å; M302-C317 HydrophobicContact SD-CB 3.86Å
303N95.6Very high94.7Very high29 Ų2950.5 Ų50.516%0.15527%0.268CS..  trans-93.6-170179.57214.9000112.4I294 V295 K301 K305 A306I294-N303 PolarHBondContact O-ND2 3.13Å; I294-N303 PolarHBondContact O-OD1 3.1Å; V295-N303 WeakPolarHBondContact CA-OD1 3.23Å; V295-N303 PolarHBondContact O-N 3.43Å; V295-N303 PolarHBondContact O-OD1 3.4Å; K301-N303 PolarHBondContact O-N 3.01Å; N303-K305 PolarHBondContact O-N 3.43Å; N303-K305 WeakPolarHBondContact OD1-CA 3.32Å; N303-K305 WeakPolarHBondContact OD1-CB 3.34Å; N303-K305 PolarHBondContact OD1-N 2.97Å; N303-A306 VanDerWaalsContact O-CB 3.29Å; N303-A306 WeakPolarHBondContact O-CB 3.33Å; N303-A306 PolarHBondContact O-N 3.39Å
304D93.4Very high94.7Very high110 Ų11051 Ų5159%0.58827%0.27SS*.G310 helixtrans-61-28.2-179.665.1-46.4000113.6A306 G307D304-A306 PolarHBondContact O-N 3.32Å; D304-G307 PolarHBondContact O-N 3.08Å
305K93.3Very high94.8Very high96 Ų9652.2 Ų52.242%0.41727%0.274SS..G310 helixtrans-73.8-10175.9-56.8-167.2-173.6177.10113.5I293 I294 V295 N303 G307I293-K305 HydrophobicContact CG2-CD 3.85Å; I294-K305 WeakPolarHBondContact O-CD 3.22Å; V295-K305 HydrophobicContact CG1-CB 4.16Å; N303-K305 PolarHBondContact O-N 3.43Å; N303-K305 WeakPolarHBondContact OD1-CA 3.32Å; N303-K305 WeakPolarHBondContact OD1-CB 3.34Å; N303-K305 PolarHBondContact OD1-N 2.97Å; K305-G307 VanDerWaalsContact C-N 3.29Å
306A94.1Very high94.8Very high3 Ų356.2 Ų56.23%0.02530%0.295CS..G310 helixtrans-85.41.2174.500000113.5L223 M302 N303 D304 K308 Y309L223-A306 HydrophobicContact CD1-CB 4.01Å; M302-A306 HydrophobicContact CB-CB 3.68Å; M302-A306 HydrophobicContact CE-CB 3.6Å; M302-A306 HydrophobicContact CG-CB 4.42Å; N303-A306 VanDerWaalsContact O-CB 3.29Å; N303-A306 WeakPolarHBondContact O-CB 3.33Å; N303-A306 PolarHBondContact O-N 3.39Å; D304-A306 PolarHBondContact O-N 3.32Å; A306-K308 PolarHBondContact O-N 2.96Å; A306-Y309 WeakPolarHBondContact O-CD2 3.28Å; A306-Y309 PolarHBondContact O-N 3.25Å
307G90Very high94.8Very high44 Ų4456.2 Ų56.245%0.45430%0.295SS..G310 helixtrans62.1-127.7178.100000112.2D304 K305 Y309 E310D304-G307 PolarHBondContact O-N 3.08Å; K305-G307 VanDerWaalsContact C-N 3.29Å; G307-Y309 PolarHBondContact O-N 3.43Å; G307-E310 WeakPolarHBondContact O-CB 3.41Å; G307-E310 PolarHBondContact O-N 2.88Å; G307-E310 VanDerWaalsContact O-N 3.08Å
308K93.1Very high94.9Very high128 Ų12856 Ų5656%0.55729%0.29SS*.G310 helixtrans-64.8-8.6-174.971.6176.1-175173.50115.2A306 D324A306-K308 PolarHBondContact O-N 2.96Å; K308-D324 WeakPolarHBondContact CE-OD2 3.44Å; K308-D324 IonicContact NZ-OD2 3.28Å; K308-D324 PolarHBondContact NZ-OD2 3.34Å
309Y96.6Very high95.2Very high2 Ų257.8 Ų57.81%0.00830%0.297CS..G310 helixtrans-94-0.6178.1-50.8-70.3000113.1L223 I249 M302 A306 G307 G311 M312 Q320 L321 D324L223-Y309 HydrophobicContact CD1-CD2 3.6Å; L223-Y309 HydrophobicContact CD1-CE2 4.13Å; L223-Y309 HydrophobicContact CD1-CG 4.48Å; L223-Y309 HydrophobicContact CD2-CD2 4.26Å; L223-Y309 HydrophobicContact CD2-CE2 4.04Å; I249-Y309 HydrophobicContact CG2-CE2 3.93Å; M302-Y309 VanDerWaalsContact CB-O 3.3Å; M302-Y309 WeakPolarHBondContact CB-O 3.14Å; A306-Y309 WeakPolarHBondContact O-CD2 3.28Å; A306-Y309 PolarHBondContact O-N 3.25Å; G307-Y309 PolarHBondContact O-N 3.43Å; Y309-G311 PolarHBondContact O-N 2.91Å; Y309-M312 HydrophobicContact CD1-SD 4.04Å; Y309-M312 VanDerWaalsContact O-CB 3.29Å; Y309-M312 WeakPolarHBondContact O-CB 3.39Å; Y309-M312 VanDerWaalsContact O-CG 3.32Å; Y309-M312 WeakPolarHBondContact O-CG 3.39Å; Y309-M312 PolarHBondContact O-N 3.16Å; Y309-M312 VanDerWaalsContact O-N 3.09Å; Y309-Q320 HydrophobicContact CD1-CG 4.36Å; Y309-Q320 HydrophobicContact CE1-CB 4.46Å; Y309-Q320 HydrophobicContact CE1-CG 4.06Å; Y309-L321 HydrophobicContact CE1-CB 4.34Å; Y309-L321 HydrophobicContact CE2-CD1 3.75Å; Y309-L321 VanDerWaalsContact OH-CD1 3.26Å; Y309-L321 WeakPolarHBondContact OH-CD1 3.37Å; Y309-D324 WeakPolarHBondContact CE1-OD2 3.25Å; Y309-D324 PolarHBondContact OH-OD2 2.82Å
310E96.3Very high95.4Very high127 Ų12758.3 Ų58.359%0.59330%0.298SS*.THydrogen-bonded Turntrans-46.4132.4177.3-176.6-178.4179.800111.9G307 M312G307-E310 WeakPolarHBondContact O-CB 3.41Å; G307-E310 PolarHBondContact O-N 2.88Å; G307-E310 VanDerWaalsContact O-N 3.08Å; E310-M312 VanDerWaalsContact C-N 3.31Å; E310-M312 PolarHBondContact O-N 2.8Å
311G95.6Very high95.5Very high49 Ų4958.3 Ų58.351%0.50530%0.297SS..THydrogen-bonded Turntrans84-10.1179.500000115.7M302 Y309M302-G311 PolarHBondContact O-N 3.1Å; Y309-G311 PolarHBondContact O-N 2.91Å
312M97.4Very high95.6Very high68 Ų6854.2 Ų54.234%0.33528%0.28SS..  trans-72.1146.9174.4-64.1-173.5-178.900111.4K301 M302 Y309 E310 C317 Q320K301-M312 CarbonylContact C-O 3.6Å; K301-M312 VanDerWaalsContact CA-O 3.26Å; K301-M312 WeakPolarHBondContact CA-O 3.22Å; M302-M312 HydrophobicContact CG-CB 4.39Å; M302-M312 PolarHBondContact N-O 3.22Å; Y309-M312 HydrophobicContact CD1-SD 4.04Å; Y309-M312 VanDerWaalsContact O-CB 3.29Å; Y309-M312 WeakPolarHBondContact O-CB 3.39Å; Y309-M312 VanDerWaalsContact O-CG 3.32Å; Y309-M312 WeakPolarHBondContact O-CG 3.39Å; Y309-M312 PolarHBondContact O-N 3.16Å; Y309-M312 VanDerWaalsContact O-N 3.09Å; E310-M312 VanDerWaalsContact C-N 3.31Å; E310-M312 PolarHBondContact O-N 2.8Å; M312-C317 HydrophobicContact CB-CB 4.14Å; M312-Q320 HydrophobicContact CE-CG 4.4Å; M312-Q320 HydrophobicContact SD-CB 4.35Å; M312-Q320 HydrophobicContact SD-CG 4.46Å
313D96.9Very high95.5Very high56 Ų5659.3 Ų59.330%0.29930%0.303SS..BIsolated β-bridgetrans-62.7141.8164176.2-90.5000109.9F315 D316 C317D313-F315 PolarHBondContact O-N 2.89Å; D313-F315 VanDerWaalsContact O-N 3.12Å; D313-F315 VanDerWaalsContact OD1-CB 3.31Å; D313-F315 WeakPolarHBondContact OD1-CB 3.42Å; D313-F315 WeakPolarHBondContact OD1-CD2 3.43Å; D313-F315 PolarHBondContact OD1-N 3.31Å; D313-D316 HydrophobicContact CB-CB 4.44Å; D313-D316 PolarHBondContact O-N 3.19Å; D313-C317 WeakPolarHBondContact O-CB 3.4Å; D313-C317 PolarHBondContact O-N 3.36Å
314R95.2Very high95.6Very high12 Ų1258.5 Ų58.55%0.04530%0.298CS..Hα-helixtrans-51.7-35.9-178.363.7-174.4178.7-168.4-7.1113.9E220 M296 G300 M302 R318 V350 E352E220-R314 HydrophobicContact CG-CB 4.41Å; M296-R314 HydrophobicContact CE-CB 4.23Å; M296-R314 HydrophobicContact SD-CB 3.83Å; G300-R314 VanDerWaalsContact O-CB 3.27Å; G300-R314 WeakPolarHBondContact O-CB 3.42Å; G300-R314 WeakPolarHBondContact O-CG 3.38Å; G300-R314 PolarHBondContact O-N 3.46Å; M302-R314 HydrophobicContact SD-CB 4.42Å; R314-R318 WeakPolarHBondContact O-CB 3.33Å; R314-R318 PolarHBondContact O-N 2.92Å; R314-V350 PolarHBondContact NH1-O 3.01Å; R314-V350 PolarHBondContact NH2-O 3.25Å; R314-E352 VanDerWaalsContact CD-OE2 3.32Å; R314-E352 WeakPolarHBondContact CD-OE2 3.3Å; R314-E352 IonicContact CZ-OE2 3.34Å; R314-E352 IonicContact NE-OE2 3.78Å; R314-E352 IonicContact NH1-OE2 3.6Å; R314-E352 PolarHBondContact NH1-OE2 3.34Å
315F95.3Very high95.7Very high68 Ų6853.2 Ų53.230%0.29827%0.27SS..Hα-helixtrans-77.8-32.7-179.5-57.8-59.3000112.2D313 R318 K319 V350D313-F315 PolarHBondContact O-N 2.89Å; D313-F315 VanDerWaalsContact O-N 3.12Å; D313-F315 VanDerWaalsContact OD1-CB 3.31Å; D313-F315 WeakPolarHBondContact OD1-CB 3.42Å; D313-F315 WeakPolarHBondContact OD1-CD2 3.43Å; D313-F315 PolarHBondContact OD1-N 3.31Å; F315-R318 WeakPolarHBondContact O-CB 3.42Å; F315-K319 WeakPolarHBondContact O-CG 3.46Å; F315-K319 PolarHBondContact O-N 3.23Å; F315-V350 HydrophobicContact CZ-CB 3.97Å; F315-V350 HydrophobicContact CZ-CG1 4.14Å; F315-V350 HydrophobicContact CZ-CG2 4.12Å
316D96.6Very high95.8Very high84 Ų8454.4 Ų54.445%0.44928%0.275SS..Hα-helixtrans-75.9-36.7173.5-69.8-26.8000111.2D313 R318 K319 Q320D313-D316 HydrophobicContact CB-CB 4.44Å; D313-D316 PolarHBondContact O-N 3.19Å; D316-R318 VanDerWaalsContact C-N 3.33Å; D316-R318 PolarHBondContact O-N 3.05Å; D316-K319 PolarHBondContact O-N 3.02Å; D316-K319 IonicContact OD1-NZ 2.59Å; D316-K319 PolarHBondContact OD1-NZ 3.02Å; D316-Q320 WeakPolarHBondContact O-CB 3.41Å; D316-Q320 PolarHBondContact O-N 2.84Å
317C97Very high95.9Very high0 Ų060.6 Ų60.60%030%0.304CS..Hα-helixtrans-56.1-47.5168178.70000110.6E220 M302 M312 D313 K319 Q320 L321E220-C317 HydrophobicContact CB-CB 4.5Å; M302-C317 HydrophobicContact CG-CB 3.48Å; M302-C317 VanDerWaalsContact CG-CB 3.48Å; M302-C317 VanDerWaalsContact CG-SG 3.59Å; M302-C317 HydrophobicContact SD-CB 3.86Å; M312-C317 HydrophobicContact CB-CB 4.14Å; D313-C317 WeakPolarHBondContact O-CB 3.4Å; D313-C317 PolarHBondContact O-N 3.36Å; C317-K319 VanDerWaalsContact C-N 3.33Å; C317-K319 PolarHBondContact O-N 3.48Å; C317-Q320 PolarHBondContact O-N 2.87Å; C317-L321 WeakPolarHBondContact O-CB 3.49Å; C317-L321 PolarHBondContact O-N 2.87Å
318R96.4Very high96.1Very high47 Ų4763.4 Ų63.418%0.17731%0.305CS..Hα-helixtrans-51.6-51175.3-178.5-176.4-66.9176.9-3.6111.8P219 E220 R314 F315 D316 V322P219-R318 HydrophobicContact CB-CG 4.37Å; P219-R318 HydrophobicContact CG-CG 4.14Å; E220-R318 HydrophobicContact CB-CB 4.28Å; E220-R318 IonicContact OE1-CZ 2.79Å; E220-R318 IonicContact OE1-NE 2.81Å; E220-R318 PolarHBondContact OE1-NE 3.28Å; E220-R318 IonicContact OE1-NH2 3.21Å; E220-R318 PolarHBondContact OE1-NH2 3.42Å; E220-R318 WeakPolarHBondContact OE2-CB 3.46Å; E220-R318 WeakPolarHBondContact OE2-CG 3.34Å; E220-R318 IonicContact OE2-CZ 3.74Å; E220-R318 IonicContact OE2-NE 2.73Å; E220-R318 PolarHBondContact OE2-NE 3.46Å; E220-R318 IonicContact OE2-NH2 3.95Å; E220-R318 PolarHBondContact OE2-NH2 3.06Å; R314-R318 WeakPolarHBondContact O-CB 3.33Å; R314-R318 PolarHBondContact O-N 2.92Å; F315-R318 WeakPolarHBondContact O-CB 3.42Å; D316-R318 VanDerWaalsContact C-N 3.33Å; D316-R318 PolarHBondContact O-N 3.05Å; R318-V322 WeakPolarHBondContact O-CB 3.13Å; R318-V322 WeakPolarHBondContact O-CG2 3.37Å; R318-V322 PolarHBondContact O-N 3.28Å
319K96.2Very high96.2Very high135 Ų13562.6 Ų62.659%0.58731%0.307SS*.Hα-helixtrans-62.6-45.6-179.3-65.4168.1-161.61530111.6F315 D316 C317 K323F315-K319 WeakPolarHBondContact O-CG 3.46Å; F315-K319 PolarHBondContact O-N 3.23Å; D316-K319 PolarHBondContact O-N 3.02Å; D316-K319 IonicContact OD1-NZ 2.59Å; D316-K319 PolarHBondContact OD1-NZ 3.02Å; C317-K319 VanDerWaalsContact C-N 3.33Å; C317-K319 PolarHBondContact O-N 3.48Å; K319-K323 PolarHBondContact O-N 3.49Å; K319-K323 VanDerWaalsContact O-N 3.16Å
320Q97.2Very high96.2Very high65 Ų6563.6 Ų63.630%0.30431%0.312SS..Hα-helixtrans-69.5-43.4-177.6-172.258.354.700111.8Y309 M312 D316 C317 V322 K323 D324Y309-Q320 HydrophobicContact CD1-CG 4.36Å; Y309-Q320 HydrophobicContact CE1-CB 4.46Å; Y309-Q320 HydrophobicContact CE1-CG 4.06Å; M312-Q320 HydrophobicContact CE-CG 4.4Å; M312-Q320 HydrophobicContact SD-CB 4.35Å; M312-Q320 HydrophobicContact SD-CG 4.46Å; D316-Q320 WeakPolarHBondContact O-CB 3.41Å; D316-Q320 PolarHBondContact O-N 2.84Å; C317-Q320 PolarHBondContact O-N 2.87Å; Q320-V322 PolarHBondContact O-N 2.9Å; Q320-K323 WeakPolarHBondContact O-CB 3.14Å; Q320-K323 PolarHBondContact O-N 2.89Å; Q320-K323 VanDerWaalsContact O-N 3.17Å; Q320-D324 PolarHBondContact NE2-OD1 2.99Å; Q320-D324 PolarHBondContact O-N 3.44Å
321L96.7Very high96.2Very high0 Ų058.6 Ų58.60%029%0.29CS..Hα-helixtrans-60.4-45.9176.8175.460.6000111.8P219 M222 L223 I249 Y309 C317 K323 D324 L325P219-L321 HydrophobicContact CB-CD2 4.32Å; P219-L321 WeakPolarHBondContact O-CD2 3.43Å; M222-L321 HydrophobicContact CG-CD2 3.96Å; M222-L321 HydrophobicContact SD-CD1 4.17Å; M222-L321 HydrophobicContact SD-CD2 3.77Å; M222-L321 HydrophobicContact SD-CG 4.17Å; L223-L321 HydrophobicContact CD1-CD2 4.47Å; L223-L321 HydrophobicContact CD2-CD1 4.28Å; L223-L321 HydrophobicContact CD2-CD2 4.48Å; L223-L321 HydrophobicContact CG-CD2 4.31Å; I249-L321 HydrophobicContact CG1-CD1 3.86Å; Y309-L321 HydrophobicContact CE1-CB 4.34Å; Y309-L321 HydrophobicContact CE2-CD1 3.75Å; Y309-L321 VanDerWaalsContact OH-CD1 3.26Å; Y309-L321 WeakPolarHBondContact OH-CD1 3.37Å; C317-L321 WeakPolarHBondContact O-CB 3.49Å; C317-L321 PolarHBondContact O-N 2.87Å; L321-K323 VanDerWaalsContact C-N 3.27Å; L321-K323 PolarHBondContact O-N 2.96Å; L321-D324 PolarHBondContact O-N 2.86Å; L321-L325 HydrophobicContact CD1-CD1 4.12Å; L321-L325 HydrophobicContact CD1-CG 4.17Å; L321-L325 HydrophobicContact CG-CD1 4.02Å; L321-L325 WeakPolarHBondContact O-CB 3.39Å; L321-L325 VanDerWaalsContact O-CG 3.29Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 3.4Å
322V96.6Very high96.3Very high12 Ų1259.2 Ų59.27%0.07328%0.281CS..Hα-helixtrans-61.1-38.8176.21710000111.1Y199 F201 P219 R318 Q320 K326 I334Y199-V322 HydrophobicContact CD1-CG1 4.27Å; Y199-V322 HydrophobicContact CD1-CG2 3.82Å; Y199-V322 HydrophobicContact CE1-CB 4.47Å; Y199-V322 HydrophobicContact CE1-CG1 4.06Å; Y199-V322 HydrophobicContact CE1-CG2 3.61Å; F201-V322 HydrophobicContact CZ-CG2 4.2Å; P219-V322 HydrophobicContact CB-CG2 3.86Å; P219-V322 HydrophobicContact CG-CG2 3.77Å; R318-V322 WeakPolarHBondContact O-CB 3.13Å; R318-V322 WeakPolarHBondContact O-CG2 3.37Å; R318-V322 PolarHBondContact O-N 3.28Å; Q320-V322 PolarHBondContact O-N 2.9Å; V322-K326 WeakPolarHBondContact O-CG 3.29Å; V322-K326 PolarHBondContact O-N 3.17Å; V322-I334 HydrophobicContact CG1-CD1 3.8Å
323K96.6Very high96.2Very high111 Ų11160 Ų6048%0.48328%0.283SS..Hα-helixtrans-62.7-46.2175.2-175.4-175.1172.1-168.60111K319 Q320 L321 L325 K326 E327K319-K323 PolarHBondContact O-N 3.49Å; K319-K323 VanDerWaalsContact O-N 3.16Å; Q320-K323 WeakPolarHBondContact O-CB 3.14Å; Q320-K323 PolarHBondContact O-N 2.89Å; Q320-K323 VanDerWaalsContact O-N 3.17Å; L321-K323 VanDerWaalsContact C-N 3.27Å; L321-K323 PolarHBondContact O-N 2.96Å; K323-L325 PolarHBondContact O-N 2.94Å; K323-K326 WeakPolarHBondContact O-CB 3.38Å; K323-K326 PolarHBondContact O-N 3.4Å; K323-E327 VanDerWaalsContact CE-OE1 3.27Å; K323-E327 WeakPolarHBondContact CE-OE1 3.22Å; K323-E327 WeakPolarHBondContact O-CG 3.43Å; K323-E327 PolarHBondContact O-N 2.75Å
324D96.6Very high96.2Very high11 Ų1160.2 Ų60.26%0.05928%0.283CS..Hα-helixtrans-66.8-37.5-178.8-65-5.5000112I249 K308 Y309 Q320 L321 K326 E327 Q328I249-D324 HydrophobicContact CD1-CB 4.42Å; K308-D324 WeakPolarHBondContact CE-OD2 3.44Å; K308-D324 IonicContact NZ-OD2 3.28Å; K308-D324 PolarHBondContact NZ-OD2 3.34Å; Y309-D324 WeakPolarHBondContact CE1-OD2 3.25Å; Y309-D324 PolarHBondContact OH-OD2 2.82Å; Q320-D324 PolarHBondContact NE2-OD1 2.99Å; Q320-D324 PolarHBondContact O-N 3.44Å; L321-D324 PolarHBondContact O-N 2.86Å; D324-K326 VanDerWaalsContact C-N 3.34Å; D324-E327 PolarHBondContact O-N 3.35Å; D324-Q328 PolarHBondContact O-N 3.43Å
325L96.3Very high96.1Very high0 Ų063.7 Ų63.70%030%0.3CS..Hα-helixtrans-64.8-37.5172.9-70.1167.7000111.9F201 M222 P248 I249 L321 K323 Q328 D329 L330 V331F201-L325 HydrophobicContact CD1-CD1 3.89Å; F201-L325 HydrophobicContact CD2-CD1 4.45Å; F201-L325 HydrophobicContact CE1-CD1 3.63Å; F201-L325 HydrophobicContact CE2-CD1 4.22Å; F201-L325 HydrophobicContact CG-CD1 4.3Å; F201-L325 HydrophobicContact CZ-CD1 3.79Å; M222-L325 HydrophobicContact CE-CD1 4.24Å; M222-L325 HydrophobicContact CE-CD2 4.3Å; M222-L325 HydrophobicContact SD-CD1 3.7Å; P248-L325 HydrophobicContact CB-CD2 3.6Å; I249-L325 HydrophobicContact CD1-CD2 4.17Å; I249-L325 HydrophobicContact CG1-CD2 3.94Å; L321-L325 HydrophobicContact CD1-CD1 4.12Å; L321-L325 HydrophobicContact CD1-CG 4.17Å; L321-L325 HydrophobicContact CG-CD1 4.02Å; L321-L325 WeakPolarHBondContact O-CB 3.39Å; L321-L325 VanDerWaalsContact O-CG 3.29Å; L321-L325 WeakPolarHBondContact O-CG 3.46Å; L321-L325 PolarHBondContact O-N 3.4Å; K323-L325 PolarHBondContact O-N 2.94Å; L325-Q328 PolarHBondContact O-N 3.03Å; L325-D329 PolarHBondContact O-N 3.01Å; L325-L330 HydrophobicContact CB-CB 4.46Å; L325-L330 HydrophobicContact CD2-CB 4.1Å; L325-L330 HydrophobicContact CD2-CD1 4.03Å; L325-L330 PolarHBondContact O-N 3.39Å; L325-V331 HydrophobicContact CB-CG2 3.73Å
326K96Very high96Very high120 Ų12067.3 Ų67.352%0.52232%0.322SS..Hα-helixtrans-64.6-41.1174.1-76.9-179.9-179.1178.70111.4V322 K323 D324 Q328 D329 V331V322-K326 WeakPolarHBondContact O-CG 3.29Å; V322-K326 PolarHBondContact O-N 3.17Å; K323-K326 WeakPolarHBondContact O-CB 3.38Å; K323-K326 PolarHBondContact O-N 3.4Å; D324-K326 VanDerWaalsContact C-N 3.34Å; K326-Q328 PolarHBondContact O-N 2.99Å; K326-D329 PolarHBondContact O-N 3.4Å; K326-D329 VanDerWaalsContact O-N 3.13Å; K326-V331 HydrophobicContact CB-CG2 4.32Å; K326-V331 HydrophobicContact CG-CB 3.95Å; K326-V331 HydrophobicContact CG-CG1 4.41Å; K326-V331 HydrophobicContact CG-CG2 3.55Å
327E95.4Very high95.7Very high134 Ų13466.2 Ų66.263%0.62632%0.315SS*.Hα-helixtrans-63.6-25.6177.2-71.4176.3-173.600112.5K323 D324K323-E327 VanDerWaalsContact CE-OE1 3.27Å; K323-E327 WeakPolarHBondContact CE-OE1 3.22Å; K323-E327 WeakPolarHBondContact O-CG 3.43Å; K323-E327 PolarHBondContact O-N 2.75Å; D324-E327 PolarHBondContact O-N 3.35Å
328Q94.2Very high95.3Very high102 Ų10269.9 Ų69.948%0.47734%0.337SS..THydrogen-bonded Turntrans-93.57.2175.5-64.6-176.623.500114.5D324 L325 K326 L330D324-Q328 PolarHBondContact O-N 3.43Å; L325-Q328 PolarHBondContact O-N 3.03Å; K326-Q328 PolarHBondContact O-N 2.99Å; Q328-L330 HydrophobicContact CB-CD1 3.92Å; Q328-L330 HydrophobicContact CB-CG 3.94Å; Q328-L330 PolarHBondContact O-N 3.37Å
329D95.1Very high94.8Very high112 Ų11269.8 Ų69.860%0.59934%0.338SS*.THydrogen-bonded Turntrans5630.8-174.5-16850.5000114.2K202 L325 K326K202-D329 PolarHBondContact NZ-O 3.49Å; K202-D329 IonicContact NZ-OD1 2.94Å; K202-D329 IonicContact NZ-OD2 3.12Å; K202-D329 PolarHBondContact NZ-OD2 2.94Å; L325-D329 PolarHBondContact O-N 3.01Å; K326-D329 PolarHBondContact O-N 3.4Å; K326-D329 VanDerWaalsContact O-N 3.13Å
330L96.5Very high94.4Very high22 Ų2266.6 Ų66.612%0.11533%0.333CS..  trans-95.5-0179.8-63.4177000113.2F201 K202 P204 P248 L325 Q328F201-L330 CarbonylContact C-O 3.51Å; F201-L330 VanDerWaalsContact CA-O 3.27Å; F201-L330 WeakPolarHBondContact CA-O 3.39Å; K202-L330 HydrophobicContact CB-CD2 4.12Å; K202-L330 PolarHBondContact N-O 3.04Å; P204-L330 HydrophobicContact CG-CD2 4.31Å; P248-L330 HydrophobicContact CB-CD1 3.75Å; P248-L330 HydrophobicContact CG-CD1 4.14Å; L325-L330 HydrophobicContact CB-CB 4.46Å; L325-L330 HydrophobicContact CD2-CB 4.1Å; L325-L330 HydrophobicContact CD2-CD1 4.03Å; L325-L330 PolarHBondContact O-N 3.39Å; Q328-L330 HydrophobicContact CB-CD1 3.92Å; Q328-L330 HydrophobicContact CB-CG 3.94Å; Q328-L330 PolarHBondContact O-N 3.37Å
331V97.1Very high94.1Very high22 Ų2264.5 Ų64.513%0.13332%0.324CS..EExtended strand (participates in β ladder)trans-99123.9176.3-175.40000110.2F201 L325 K326 I334F201-V331 HydrophobicContact CD1-CB 4.43Å; F201-V331 HydrophobicContact CD1-CG1 4.5Å; F201-V331 HydrophobicContact CD1-CG2 3.86Å; F201-V331 HydrophobicContact CE1-CG1 4.4Å; F201-V331 HydrophobicContact CE1-CG2 3.77Å; L325-V331 HydrophobicContact CB-CG2 3.73Å; K326-V331 HydrophobicContact CB-CG2 4.32Å; K326-V331 HydrophobicContact CG-CB 3.95Å; K326-V331 HydrophobicContact CG-CG1 4.41Å; K326-V331 HydrophobicContact CG-CG2 3.55Å; V331-I334 HydrophobicContact CG1-CD1 4.13Å; V331-I334 HydrophobicContact CG1-CG1 3.83Å
332I96.3Very high93.9Very high63 Ų6365.1 Ų65.132%0.32333%0.33SS..EExtended strand (participates in β ladder)trans-85.4-55.6177.1-63.9162000109.6H200 K202 F211 E213H200-I332 HydrophobicContact CB-CB 4.09Å; H200-I332 PolarHBondContact O-N 3.41Å; K202-I332 HydrophobicContact CD-CG1 4.45Å; K202-I332 HydrophobicContact CG-CD1 3.82Å; K202-I332 HydrophobicContact CG-CG1 3.63Å; F211-I332 HydrophobicContact CE2-CD1 3.93Å; E213-I332 HydrophobicContact CB-CD1 3.79Å; E213-I332 HydrophobicContact CG-CD1 3.49Å; E213-I332 VanDerWaalsContact CG-CD1 3.49Å
333K96Very high93.7Very high84 Ų8465.7 Ų65.737%0.36533%0.332SS..EExtended strand (participates in β ladder)trans-156.9160.5178.861.8178.5-175.3167.40110.7H200 E335H200-K333 HydrophobicContact CB-CG 3.69Å; H200-K333 WeakPolarHBondContact CE1-CE 3.32Å; H200-K333 PolarHBondContact N-O 3.35Å; H200-K333 WeakPolarHBondContact ND1-CE 3.38Å; H200-K333 WeakPolarHBondContact NE2-CE 3.3Å; K333-E335 HydrophobicContact CD-CG 4.16Å; K333-E335 WeakPolarHBondContact CD-OE1 3.11Å; K333-E335 VanDerWaalsContact CE-OE1 3.25Å; K333-E335 WeakPolarHBondContact CE-OE1 3.49Å; K333-E335 HydrophobicContact CG-CG 4.48Å; K333-E335 IonicContact NZ-OE1 2.83Å; K333-E335 PolarHBondContact NZ-OE1 3.18Å; K333-E335 IonicContact NZ-OE2 3.06Å
334I96Very high93.3Very high61 Ų6160.6 Ų60.631%0.31331%0.311SS..EExtended strand (participates in β ladder)trans-131.8120.5172.1-56.4178.2000106A197 F198 Y199 V322 V331A197-I334 HydrophobicContact CB-CG2 3.81Å; F198-I334 WeakPolarHBondContact O-CA 3.18Å; Y199-I334 HydrophobicContact CD1-CB 4.4Å; Y199-I334 HydrophobicContact CD1-CD1 3.78Å; Y199-I334 HydrophobicContact CD1-CG1 3.79Å; Y199-I334 HydrophobicContact CD1-CG2 3.81Å; Y199-I334 HydrophobicContact CE1-CD1 3.96Å; Y199-I334 HydrophobicContact CE1-CG1 4.34Å; Y199-I334 HydrophobicContact CE1-CG2 3.81Å; Y199-I334 HydrophobicContact CG-CG2 4.47Å; V322-I334 HydrophobicContact CG1-CD1 3.8Å; V331-I334 HydrophobicContact CG1-CD1 4.13Å; V331-I334 HydrophobicContact CG1-CG1 3.83Å
335E94.1Very high92.6Very high84 Ų8463.4 Ų63.439%0.39332%0.323SS..EExtended strand (participates in β ladder)trans-111.2145.7-177.6-62-176.8157.100109.9A197 F198 H200 K333A197-E335 CarbonylContact C-O 3.45Å; A197-E335 WeakPolarHBondContact CA-O 3.12Å; A197-E335 WeakPolarHBondContact CB-O 3.45Å; F198-E335 PolarHBondContact N-O 3.2Å; F198-E335 PolarHBondContact O-N 2.94Å; H200-E335 IonicContact NE2-OE2 3.04Å; K333-E335 HydrophobicContact CD-CG 4.16Å; K333-E335 WeakPolarHBondContact CD-OE1 3.11Å; K333-E335 VanDerWaalsContact CE-OE1 3.25Å; K333-E335 WeakPolarHBondContact CE-OE1 3.49Å; K333-E335 HydrophobicContact CG-CG 4.48Å; K333-E335 IonicContact NZ-OE1 2.83Å; K333-E335 PolarHBondContact NZ-OE1 3.18Å; K333-E335 IonicContact NZ-OE2 3.06Å
336D92.9Very high91.8Very high144 Ų14469 Ų6977%0.7734%0.344SS*.EExtended strand (participates in β ladder)trans-69.6132.3172.4-73.7-21000109.5
337H89.8Confident91.2Very high62 Ų6264.7 Ų64.729%0.28733%0.329SS..EExtended strand (participates in β ladder)trans-145.2116.8-176.2-172.472.1000111.4G196 F198 H339G196-H337 CarbonylContact C-O 3.59Å; G196-H337 VanDerWaalsContact CA-O 3.3Å; G196-H337 WeakPolarHBondContact CA-O 3.36Å; G196-H337 PolarHBondContact N-O 2.62Å; G196-H337 PolarHBondContact O-N 3.23Å; F198-H337 HydrophobicContact CB-CB 3.81Å; H337-H339 PolarHBondContact O-ND1 2.86Å
338V89.1Confident90.8Very high77 Ų7760.6 Ų60.647%0.46732%0.324SS..EExtended strand (participates in β ladder)trans-80127.3171179.60000107.9D193 V194D193-V338 HydrophobicContact CB-CG1 4.04Å; V194-V338 WeakPolarHBondContact O-CA 3.39Å
339H85.8Confident90.6Very high45 Ų4556.6 Ų56.621%0.20831%0.308CS..EExtended strand (participates in β ladder)trans-139.2155.3174.960-81.6000110.9V194 H337 V341V194-H339 PolarHBondContact N-O 3.39Å; V194-H339 PolarHBondContact O-N 2.87Å; V194-H339 VanDerWaalsContact O-N 3.14Å; H337-H339 PolarHBondContact O-ND1 2.86Å; H339-V341 WeakPolarHBondContact CD2-CG2 3.37Å; H339-V341 VanDerWaalsContact NE2-CG2 3.32Å; H339-V341 WeakPolarHBondContact NE2-CG2 3.49Å; H339-V341 PolarHBondContact O-N 2.9Å
340S89.1Confident90.6Very high67 Ų6753 Ų5347%0.46929%0.29SS..EExtended strand (participates in β ladder)trans-80.5114.8-180-176.60000109.6H191H191-S340 WeakPolarHBondContact CB-OG 3.42Å; H191-S340 PolarHBondContact CD2-OG 3.4Å
341V90.5Very high90.5Very high22 Ų2252.7 Ų52.713%0.13329%0.289CS..EExtended strand (participates in β ladder)trans-110.4127.9-176.2179.30000110H191 E192 V194 H339 H343 V350H191-V341 WeakPolarHBondContact CA-O 3.12Å; E192-V341 PolarHBondContact N-O 3.38Å; E192-V341 PolarHBondContact O-N 2.92Å; V194-V341 HydrophobicContact CB-CB 4.38Å; V194-V341 HydrophobicContact CB-CG2 3.81Å; V194-V341 HydrophobicContact CG2-CB 3.88Å; V194-V341 HydrophobicContact CG2-CG2 3.89Å; H339-V341 WeakPolarHBondContact CD2-CG2 3.37Å; H339-V341 VanDerWaalsContact NE2-CG2 3.32Å; H339-V341 WeakPolarHBondContact NE2-CG2 3.49Å; H339-V341 PolarHBondContact O-N 2.9Å; V341-H343 PolarHBondContact O-ND1 3.18Å; V341-V350 HydrophobicContact CG1-CB 4.49Å; V341-V350 HydrophobicContact CG1-CG1 3.65Å; V341-V350 HydrophobicContact CG1-CG2 4.23Å
342G92.7Very high90.4Very high12 Ų1251.8 Ų51.812%0.12428%0.283CS..EExtended strand (participates in β ladder)trans-71.3129.8174.400000112.6I190 V351I190-G342 CarbonylContact O-C 3.56Å; G342-V351 PolarHBondContact O-N 2.92Å
343H92.7Very high90.3Very high24 Ų2450 Ų5011%0.11128%0.275CS..EExtended strand (participates in β ladder)trans-122.5141.7174.3-64.279.7000109.7V189 I190 V341 E345 A349 V350V189-H343 WeakPolarHBondContact CA-O 3.49Å; I190-H343 PolarHBondContact N-O 3Å; I190-H343 PolarHBondContact O-N 3.09Å; V341-H343 PolarHBondContact O-ND1 3.18Å; H343-E345 PolarHBondContact O-N 2.96Å; H343-A349 CarbonylContact C-O 3.55Å; H343-A349 WeakPolarHBondContact CA-O 3.46Å; H343-V350 WeakPolarHBondContact NE2-CG2 3.34Å
344S88.3Confident90.1Very high4 Ų447.1 Ų47.13%0.02826%0.263CS..EExtended strand (participates in β ladder)trans-60.5122.6172.5170.70000109.5D177 R346 S347 G348 A349D177-S344 WeakPolarHBondContact OD2-CB 3.48Å; D177-S344 PolarHBondContact OD2-OG 3.35Å; S344-R346 PolarHBondContact O-N 3.43Å; S344-R346 PolarHBondContact OG-N 3.02Å; S344-S347 WeakPolarHBondContact CB-OG 3.49Å; S344-S347 PolarHBondContact OG-N 3.4Å; S344-S347 VanDerWaalsContact OG-N 3.14Å; S344-S347 PolarHBondContact OG-OG 3.44Å; S344-G348 WeakPolarHBondContact O-CA 3.48Å; S344-G348 PolarHBondContact O-N 3.03Å; S344-A349 PolarHBondContact N-O 2.97Å
345E81.2Confident89.9Confident70 Ų7044.6 Ų44.633%0.32725%0.25SC..THydrogen-bonded Turntrans-51.8-33.9175.8177.4-169.6-17700111.5E188 I190 H343E188-E345 WeakPolarHBondContact O-CB 3.46Å; E188-E345 PolarHBondContact O-N 3.4Å; I190-E345 HydrophobicContact CD1-CB 3.96Å; I190-E345 HydrophobicContact CD1-CG 3.88Å; I190-E345 HydrophobicContact CG1-CB 4.12Å; I190-E345 HydrophobicContact CG1-CG 4.48Å; H343-E345 PolarHBondContact O-N 2.96Å
346R78.9Confident89.7Confident117 Ų11741.5 Ų41.544%0.44224%0.237SC..THydrogen-bonded Turntrans-92.9-50.3-170.9-60.8-65.5179.6-124-10.3112.7S344S344-R346 PolarHBondContact O-N 3.43Å; S344-R346 PolarHBondContact OG-N 3.02Å
347S84.2Confident89.6Confident30 Ų3037.3 Ų37.321%0.2122%0.217CC..THydrogen-bonded Turntrans-93.6-17.1-172.382.80000113.7D177 K179 S344 A349D177-S347 VanDerWaalsContact CG-OG 3.24Å; D177-S347 PolarHBondContact OD1-OG 3.38Å; D177-S347 WeakPolarHBondContact OD2-CB 3.36Å; D177-S347 PolarHBondContact OD2-OG 3.37Å; K179-S347 PolarHBondContact NZ-O 2.9Å; S344-S347 WeakPolarHBondContact CB-OG 3.49Å; S344-S347 PolarHBondContact OG-N 3.4Å; S344-S347 VanDerWaalsContact OG-N 3.14Å; S344-S347 PolarHBondContact OG-OG 3.44Å; S347-A349 PolarHBondContact O-N 3.41Å; S347-A349 VanDerWaalsContact OG-CB 3.27Å; S347-A349 WeakPolarHBondContact OG-CB 3.48Å; S347-A349 PolarHBondContact OG-N 2.96Å; S347-A349 VanDerWaalsContact OG-N 3.11Å
348G86.2Confident89.8Confident49 Ų4934.5 Ų34.551%0.50520%0.204SC..  trans69.74.4-171.400000114.1S344S344-G348 WeakPolarHBondContact O-CA 3.48Å; S344-G348 PolarHBondContact O-N 3.03Å
349A90.8Very high90.1Very high17 Ų1730.9 Ų30.914%0.1418%0.182CC..PPolyproline II helixtrans-69.4141.5177.600000110.6K179 H343 S344 S347 V351K179-A349 HydrophobicContact CB-CB 3.87Å; K179-A349 HydrophobicContact CD-CB 4.48Å; H343-A349 CarbonylContact C-O 3.55Å; H343-A349 WeakPolarHBondContact CA-O 3.46Å; S344-A349 PolarHBondContact N-O 2.97Å; S347-A349 PolarHBondContact O-N 3.41Å; S347-A349 VanDerWaalsContact OG-CB 3.27Å; S347-A349 WeakPolarHBondContact OG-CB 3.48Å; S347-A349 PolarHBondContact OG-N 2.96Å; S347-A349 VanDerWaalsContact OG-N 3.11Å; A349-V351 PolarHBondContact O-N 2.85Å
350V94Very high90.6Very high38 Ų3828.9 Ų28.923%0.2317%0.173CC..BIsolated β-bridgetrans-59.6121.5166.91740000108.1R314 F315 V341 H343R314-V350 PolarHBondContact NH1-O 3.01Å; R314-V350 PolarHBondContact NH2-O 3.25Å; F315-V350 HydrophobicContact CZ-CB 3.97Å; F315-V350 HydrophobicContact CZ-CG1 4.14Å; F315-V350 HydrophobicContact CZ-CG2 4.12Å; V341-V350 HydrophobicContact CG1-CB 4.49Å; V341-V350 HydrophobicContact CG1-CG1 3.65Å; V341-V350 HydrophobicContact CG1-CG2 4.23Å; H343-V350 WeakPolarHBondContact NE2-CG2 3.34Å
351V94.7Very high90.9Very high14 Ų1425.8 Ų25.89%0.08515%0.151CC..PPolyproline II helixtrans-67.4136.2-178.9172.90000109.5N175 W176 L184 V189 G342 A349N175-V351 HydrophobicContact CB-CG1 3.56Å; W176-V351 WeakPolarHBondContact O-CA 3.4Å; L184-V351 HydrophobicContact CD1-CG2 3.87Å; V189-V351 HydrophobicContact CG1-CB 4.49Å; V189-V351 HydrophobicContact CG1-CG2 4.03Å; V189-V351 HydrophobicContact CG2-CG1 4.41Å; V189-V351 HydrophobicContact CG2-CG2 4.1Å; G342-V351 PolarHBondContact O-N 2.92Å; A349-V351 PolarHBondContact O-N 2.85Å
352E95Very high91.2Very high3 Ų330.1 Ų30.11%0.01417%0.165CC..EExtended strand (participates in β ladder)trans-96.6124.1171.2-168.555.8-126.500109.4W176 P178 R218 R314 Y354W176-E352 HydrophobicContact CB-CB 4.35Å; W176-E352 VanDerWaalsContact CB-O 3.29Å; W176-E352 WeakPolarHBondContact CB-O 3.24Å; W176-E352 PolarHBondContact N-O 3.34Å; W176-E352 PolarHBondContact O-N 3.18Å; P178-E352 HydrophobicContact CG-CB 4.07Å; R218-E352 IonicContact CZ-OE1 3.66Å; R218-E352 IonicContact NH1-OE1 2.62Å; R218-E352 PolarHBondContact NH1-OE1 3.01Å; R218-E352 VanDerWaalsContact NH2-CD 3.27Å; R218-E352 IonicContact NH2-OE1 2.67Å; R218-E352 PolarHBondContact NH2-OE1 2.74Å; R218-E352 IonicContact NH2-OE2 3.5Å; R218-E352 PolarHBondContact NH2-OE2 2.79Å; R218-E352 VanDerWaalsContact NH2-OE2 3.08Å; R314-E352 VanDerWaalsContact CD-OE2 3.32Å; R314-E352 WeakPolarHBondContact CD-OE2 3.3Å; R314-E352 IonicContact CZ-OE2 3.34Å; R314-E352 IonicContact NE-OE2 3.78Å; R314-E352 IonicContact NH1-OE2 3.6Å; R314-E352 PolarHBondContact NH1-OE2 3.34Å; E352-Y354 PolarHBondContact O-N 2.98Å; E352-Y354 VanDerWaalsContact O-N 3.15Å
353P93.9Very high91.3Very high25 Ų2529.6 Ų29.616%0.16216%0.159CC..EExtended strand (participates in β ladder)trans-66.3110.3160.9-11.425.7000108.2I173 I174 H277I173-P353 HydrophobicContact CG2-CB 3.48Å; I173-P353 VanDerWaalsContact CG2-CB 3.48Å; I174-P353 WeakPolarHBondContact O-CA 3.49Å; H277-P353 WeakPolarHBondContact CA-O 3.37Å; H277-P353 WeakPolarHBondContact O-CB 3.47Å
354Y92.2Very high91.5Very high25 Ų2535.5 Ų35.510%0.09819%0.187CC..EExtended strand (participates in β ladder)trans-125.4131.6-171.3-172.9-104.1000110.4I173 I174 W176 I294 M296 E352 S356I173-Y354 WeakPolarHBondContact CA-O 3.37Å; I174-Y354 WeakPolarHBondContact CG1-O 3.37Å; I174-Y354 PolarHBondContact N-O 3.44Å; I174-Y354 PolarHBondContact O-N 2.91Å; W176-Y354 HydrophobicContact CB-CG 4.39Å; W176-Y354 HydrophobicContact CG-CG 4.44Å; I294-Y354 HydrophobicContact CG2-CE2 3.93Å; M296-Y354 WeakPolarHBondContact O-CE2 3.41Å; E352-Y354 PolarHBondContact O-N 2.98Å; E352-Y354 VanDerWaalsContact O-N 3.15Å; Y354-S356 PolarHBondContact O-N 3.23Å
355L92.1Very high91.8Very high7 Ų739.9 Ų39.94%0.03721%0.21CC..EExtended strand (participates in β ladder)trans-73.3115173.2-176.265.6000109.9E171 I173 A276 F282 N292 I294E171-L355 HydrophobicContact CB-CD1 4.03Å; I173-L355 HydrophobicContact CD1-CB 3.9Å; I173-L355 HydrophobicContact CD1-CD1 4.36Å; A276-L355 HydrophobicContact CB-CB 4.11Å; A276-L355 HydrophobicContact CB-CD2 4.24Å; A276-L355 PolarHBondContact O-N 3.29Å; F282-L355 HydrophobicContact CD2-CD1 3.85Å; F282-L355 HydrophobicContact CE2-CD1 3.43Å; F282-L355 VanDerWaalsContact CE2-CD1 3.43Å; F282-L355 HydrophobicContact CZ-CD1 4.09Å; N292-L355 HydrophobicContact CB-CD2 3.41Å; N292-L355 VanDerWaalsContact CB-CD2 3.41Å; I294-L355 HydrophobicContact CD1-CB 4.39Å; I294-L355 HydrophobicContact CG1-CB 4.37Å
356S89.2Confident92.6Very high20 Ų2036.8 Ų36.814%0.1420%0.196CC..EExtended strand (participates in β ladder)trans-137.2142.3178.7-169.10000111.3R172 Y354 Q358R172-S356 PolarHBondContact N-O 3.5Å; R172-S356 PolarHBondContact O-N 3.1Å; R172-S356 VanDerWaalsContact O-N 3.11Å; Y354-S356 PolarHBondContact O-N 3.23Å; S356-Q358 PolarHBondContact O-N 3.3Å; S356-Q358 PolarHBondContact OG-NE2 3.17Å
357T91.5Very high93.5Very high56 Ų5631.4 Ų31.434%0.34418%0.176SC..EExtended strand (participates in β ladder)trans-69.8122.5161.1-61.70000108.1R169 G170 E171R169-T357 HydrophobicContact CG-CG2 3.78Å; G170-T357 WeakPolarHBondContact O-CA 3.33Å; E171-T357 WeakPolarHBondContact CG-OG1 3.32Å
358Q93.7Very high94.1Very high3 Ų336 Ų361%0.01419%0.192CC..EExtended strand (participates in β ladder)trans-142.7169.9-179-64.5-67.8-25.100110.3R169 G170 I174 S356 F360 T402 S404R169-Q358 WeakPolarHBondContact CA-O 3.48Å; G170-Q358 PolarHBondContact N-O 3.07Å; G170-Q358 PolarHBondContact O-N 3.28Å; I174-Q358 HydrophobicContact CD1-CG 4.01Å; I174-Q358 HydrophobicContact CG2-CG 4.09Å; S356-Q358 PolarHBondContact O-N 3.3Å; S356-Q358 PolarHBondContact OG-NE2 3.17Å; Q358-F360 HydrophobicContact CB-CD2 4.46Å; Q358-F360 HydrophobicContact CB-CE2 3.65Å; Q358-F360 HydrophobicContact CB-CZ 3.72Å; Q358-F360 WeakPolarHBondContact O-CD2 3.41Å; Q358-F360 WeakPolarHBondContact O-CE2 3.35Å; Q358-T402 HydrophobicContact CB-CG2 4.13Å; Q358-T402 HydrophobicContact CG-CG2 4.39Å; Q358-S404 WeakPolarHBondContact CB-OG 3.39Å; Q358-S404 PolarHBondContact OE1-OG 2.98Å
359W96.3Very high94.6Very high1 Ų137.3 Ų37.30%0.00418%0.182CC..EExtended strand (participates in β ladder)trans-94.9134.1171-68.492.9000110.5F158 Y162 I167 Y168 R169 I403 S404 I413 A415 I424 V426 D440F158-W359 HydrophobicContact CE1-CH2 4.46Å; F158-W359 HydrophobicContact CE1-CZ3 4.31Å; F158-W359 HydrophobicContact CE2-CD2 4.47Å; F158-W359 HydrophobicContact CE2-CE3 4.41Å; F158-W359 AromaticContact CZ-CD2 3.87Å; F158-W359 HydrophobicContact CZ-CD2 3.87Å; F158-W359 AromaticContact CZ-CE3 3.69Å; F158-W359 HydrophobicContact CZ-CE3 3.69Å; F158-W359 HydrophobicContact CZ-CG 4.48Å; F158-W359 HydrophobicContact CZ-CH2 4.19Å; F158-W359 HydrophobicContact CZ-CZ2 4.37Å; F158-W359 AromaticContact CZ-CZ3 3.85Å; F158-W359 HydrophobicContact CZ-CZ3 3.85Å; Y162-W359 HydrophobicContact CD2-CH2 4.35Å; Y162-W359 AromaticContact CD2-CZ3 3.8Å; Y162-W359 HydrophobicContact CD2-CZ3 3.8Å; Y162-W359 HydrophobicContact CE2-CH2 4.16Å; Y162-W359 AromaticContact CE2-CZ3 3.91Å; Y162-W359 HydrophobicContact CE2-CZ3 3.91Å; I167-W359 HydrophobicContact CG2-CE3 3.6Å; I167-W359 HydrophobicContact CG2-CZ3 3.95Å; Y168-W359 WeakPolarHBondContact O-CA 3.47Å; R169-W359 HydrophobicContact CB-CD2 4.04Å; R169-W359 HydrophobicContact CB-CE3 3.92Å; R169-W359 HydrophobicContact CB-CH2 4.26Å; R169-W359 HydrophobicContact CB-CZ2 4.35Å; R169-W359 HydrophobicContact CB-CZ3 4.04Å; R169-W359 HydrophobicContact CG-CD2 4.18Å; R169-W359 HydrophobicContact CG-CZ2 4.46Å; W359-I403 HydrophobicContact CB-CD1 4.15Å; W359-I403 HydrophobicContact CB-CG1 3.79Å; W359-I403 VanDerWaalsContact O-CG1 3.28Å; W359-I403 WeakPolarHBondContact O-CG1 3.48Å; W359-I403 PolarHBondContact O-N 2.85Å; W359-S404 PolarHBondContact N-OG 2.67Å; W359-I413 HydrophobicContact CG-CD1 4.15Å; W359-A415 HydrophobicContact CH2-CB 4.02Å; W359-A415 HydrophobicContact CZ2-CB 3.51Å; W359-I424 HydrophobicContact CH2-CG2 4.25Å; W359-I424 HydrophobicContact CZ2-CG2 4.48Å; W359-V426 HydrophobicContact CH2-CG2 3.97Å; W359-D440 PolarHBondContact NE1-OD2 2.89Å
360F95.2Very high94.9Very high3 Ų336.5 Ų36.51%0.01318%0.175CC..EExtended strand (participates in β ladder)trans-128.5148.5-177.4-60.4-91.3000111.1I167 Y168 G170 R172 I174 Q358 W401 T402I167-F360 VanDerWaalsContact CA-O 3.29Å; I167-F360 WeakPolarHBondContact CA-O 3.42Å; Y168-F360 HydrophobicContact CD1-CB 4.27Å; Y168-F360 HydrophobicContact CE1-CB 3.71Å; Y168-F360 HydrophobicContact CE2-CB 4.09Å; Y168-F360 HydrophobicContact CE2-CD2 4.04Å; Y168-F360 HydrophobicContact CE2-CG 4.33Å; Y168-F360 PolarHBondContact N-O 2.77Å; Y168-F360 PolarHBondContact O-N 3.31Å; G170-F360 WeakPolarHBondContact O-CE2 3.32Å; R172-F360 HydrophobicContact CB-CE1 4.28Å; R172-F360 HydrophobicContact CB-CE2 4.42Å; R172-F360 HydrophobicContact CB-CZ 3.74Å; R172-F360 HydrophobicContact CG-CE1 4.44Å; R172-F360 HydrophobicContact CG-CE2 4.33Å; R172-F360 HydrophobicContact CG-CZ 4Å; I174-F360 HydrophobicContact CG2-CE1 4.34Å; I174-F360 HydrophobicContact CG2-CZ 4.09Å; Q358-F360 HydrophobicContact CB-CD2 4.46Å; Q358-F360 HydrophobicContact CB-CE2 3.65Å; Q358-F360 HydrophobicContact CB-CZ 3.72Å; Q358-F360 WeakPolarHBondContact O-CD2 3.41Å; Q358-F360 WeakPolarHBondContact O-CE2 3.35Å; F360-W401 CarbonylContact C-O 3.48Å; F360-W401 VanDerWaalsContact CA-O 3.25Å; F360-W401 WeakPolarHBondContact CA-O 3.42Å; F360-T402 HydrophobicContact CE1-CG2 4.11Å; F360-T402 WeakPolarHBondContact CE1-OG1 3.32Å
361V96.2Very high95.1Very high2 Ų236.1 Ų36.11%0.01217%0.172CC..EExtended strand (participates in β ladder)trans-100.8123.9164.8175.40000108.2I166 I167 M363 L366 D400 W401 I403 F448I166-V361 HydrophobicContact CG2-CG1 3.93Å; I167-V361 HydrophobicContact CD1-CG2 4.31Å; I167-V361 HydrophobicContact CG1-CG2 3.78Å; V361-M363 HydrophobicContact CB-SD 4.23Å; V361-M363 HydrophobicContact CG1-SD 3.63Å; V361-M363 PolarHBondContact O-N 3.34Å; V361-L366 HydrophobicContact CG1-CD1 3.66Å; V361-D400 CarbonylContact O-C 3.55Å; V361-D400 VanDerWaalsContact O-CA 3.29Å; V361-D400 WeakPolarHBondContact O-CA 3.49Å; V361-D400 WeakPolarHBondContact O-CB 3.24Å; V361-W401 HydrophobicContact CB-CB 4.32Å; V361-W401 HydrophobicContact CB-CE3 4.23Å; V361-W401 HydrophobicContact CG2-CE3 4.1Å; V361-W401 PolarHBondContact N-O 3.47Å; V361-W401 PolarHBondContact O-N 3.4Å; V361-I403 HydrophobicContact CB-CG2 4.44Å; V361-I403 HydrophobicContact CG2-CD1 3.93Å; V361-I403 HydrophobicContact CG2-CG1 4.31Å; V361-I403 HydrophobicContact CG2-CG2 3.55Å; V361-F448 HydrophobicContact CG2-CE2 4.13Å
362R95.8Very high95.3Very high113 Ų11338.4 Ų38.443%0.42618%0.184SC..  trans-69.1114.5170.8-170.2-177.7-56.6179.25.5110.1I166 Y168 D400I166-R362 PolarHBondContact O-N 2.99Å; Y168-R362 HydrophobicContact CE1-CB 4.34Å; R362-D400 WeakPolarHBondContact CA-OD1 3.48Å
363M95.8Very high95.4Very high1 Ų139.1 Ų39.11%0.00519%0.188CC..  trans-89.7-21.1-169.1-72.5-51.3-55.300114.7V361 D365 L366 A367 I398 R399 D400 W401 F493V361-M363 HydrophobicContact CB-SD 4.23Å; V361-M363 HydrophobicContact CG1-SD 3.63Å; V361-M363 PolarHBondContact O-N 3.34Å; M363-D365 PolarHBondContact O-N 3.35Å; M363-L366 HydrophobicContact CE-CB 4.17Å; M363-L366 HydrophobicContact CE-CD1 4.34Å; M363-L366 PolarHBondContact O-N 3.41Å; M363-L366 HydrophobicContact SD-CD1 4.24Å; M363-A367 WeakPolarHBondContact O-CB 3.39Å; M363-A367 PolarHBondContact O-N 3.32Å; M363-I398 HydrophobicContact CB-CD1 4.18Å; M363-I398 HydrophobicContact CB-CG1 4.19Å; M363-I398 HydrophobicContact CB-CG2 3.84Å; M363-I398 HydrophobicContact CE-CD1 3.63Å; M363-I398 HydrophobicContact CG-CD1 4.02Å; M363-I398 HydrophobicContact CG-CG1 4.21Å; M363-R399 WeakPolarHBondContact CG-O 3.33Å; M363-D400 PolarHBondContact N-OD1 3.23Å; M363-W401 HydrophobicContact CG-CB 4.05Å; M363-W401 HydrophobicContact SD-CB 4.05Å; M363-W401 HydrophobicContact SD-CE3 4.39Å; M363-F493 HydrophobicContact CE-CD1 3.59Å; M363-F493 HydrophobicContact CE-CD2 4.33Å; M363-F493 HydrophobicContact CE-CE1 3.24Å; M363-F493 HydrophobicContact CE-CE2 4.08Å; M363-F493 HydrophobicContact CE-CG 4.13Å; M363-F493 HydrophobicContact CE-CZ 3.54Å; M363-F493 HydrophobicContact SD-CE1 4.36Å; M363-F493 HydrophobicContact SD-CZ 4.13Å
364E95.4Very high95.5Very high148 Ų14838.6 Ų38.669%0.69218%0.183SC*.Hα-helixtrans-52-54.1-171.7-173178.7-179.900113.6A367 K368E364-A367 PolarHBondContact O-N 3.19Å; E364-K368 WeakPolarHBondContact O-CB 3.32Å; E364-K368 PolarHBondContact O-N 3.48Å
365D95.9Very high95.7Very high96 Ų9644.9 Ų44.951%0.51321%0.211SC..Hα-helixtrans-69.1-41.3-177.5-69.6-41.5000112.5M363 A367 R369M363-D365 PolarHBondContact O-N 3.35Å; D365-A367 VanDerWaalsContact C-N 3.27Å; D365-A367 PolarHBondContact O-N 3.38Å; D365-R369 WeakPolarHBondContact O-CB 3.44Å; D365-R369 PolarHBondContact O-N 2.98Å
366L97.7Very high95.8Very high5 Ų547.6 Ų47.63%0.02623%0.227CC..Hα-helixtrans-63-37.8176.5-65.4179.5000111.2I166 V361 M363 S370 F493 E497I166-L366 HydrophobicContact CG2-CD1 4.18Å; V361-L366 HydrophobicContact CG1-CD1 3.66Å; M363-L366 HydrophobicContact CE-CB 4.17Å; M363-L366 HydrophobicContact CE-CD1 4.34Å; M363-L366 PolarHBondContact O-N 3.41Å; M363-L366 HydrophobicContact SD-CD1 4.24Å; L366-S370 PolarHBondContact O-N 3.13Å; L366-S370 PolarHBondContact O-OG 3.46Å; L366-F493 HydrophobicContact CB-CB 4.17Å; L366-F493 HydrophobicContact CB-CD2 4.36Å; L366-F493 HydrophobicContact CB-CG 4.36Å; L366-F493 HydrophobicContact CD1-CD2 3.97Å; L366-F493 HydrophobicContact CD1-CE2 4.16Å; L366-E497 HydrophobicContact CD2-CB 3.96Å; L366-E497 HydrophobicContact CD2-CG 3.88Å
367A97.3Very high96Very high3 Ų354.7 Ų54.73%0.02526%0.264CS..Hα-helixtrans-72.7-45.6-178.900000112.3M363 E364 D365 R369 S370 L371 M395 I398M363-A367 WeakPolarHBondContact O-CB 3.39Å; M363-A367 PolarHBondContact O-N 3.32Å; E364-A367 PolarHBondContact O-N 3.19Å; D365-A367 VanDerWaalsContact C-N 3.27Å; D365-A367 PolarHBondContact O-N 3.38Å; A367-R369 VanDerWaalsContact C-N 3.31Å; A367-R369 PolarHBondContact O-N 3.42Å; A367-S370 WeakPolarHBondContact O-CB 3.4Å; A367-S370 PolarHBondContact O-N 3.46Å; A367-S370 VanDerWaalsContact O-N 3.12Å; A367-L371 WeakPolarHBondContact O-CG 3.34Å; A367-L371 PolarHBondContact O-N 3.46Å; A367-M395 HydrophobicContact CB-CE 3.68Å; A367-I398 HydrophobicContact CB-CG2 3.59Å
368K97.4Very high96Very high127 Ų12754.8 Ų54.855%0.55226%0.262SS*.Hα-helixtrans-55.5-46.5172.2-178.5-179.6176.1-174.40111.7E364 S370 L371 D372E364-K368 WeakPolarHBondContact O-CB 3.32Å; E364-K368 PolarHBondContact O-N 3.48Å; K368-S370 PolarHBondContact O-N 3.35Å; K368-L371 PolarHBondContact O-N 3.04Å; K368-D372 WeakPolarHBondContact O-CB 3.47Å; K368-D372 PolarHBondContact O-N 2.85Å
369R97.1Very high96.1Very high77 Ų7757.6 Ų57.629%0.29127%0.273SS..Hα-helixtrans-57.4-40177.7-172.7175.6-177.9164.95.3112.1D365 A367 N373 L496 E497 D500D365-R369 WeakPolarHBondContact O-CB 3.44Å; D365-R369 PolarHBondContact O-N 2.98Å; A367-R369 VanDerWaalsContact C-N 3.31Å; A367-R369 PolarHBondContact O-N 3.42Å; R369-N373 PolarHBondContact O-N 2.94Å; R369-L496 HydrophobicContact CG-CB 4.4Å; R369-L496 PolarHBondContact NH1-O 3.48Å; R369-L496 PolarHBondContact NH2-O 2.68Å; R369-E497 IonicContact CZ-OE2 2.66Å; R369-E497 IonicContact NH1-OE2 3.79Å; R369-E497 PolarHBondContact NH1-OE2 3.19Å; R369-D500 IonicContact CZ-OD1 3.79Å; R369-D500 IonicContact NH1-OD1 2.68Å; R369-D500 IonicContact NH2-OD1 3.11Å; R369-D500 PolarHBondContact NH2-OD1 3.33Å
370S97.3Very high96.2Very high0 Ų057.6 Ų57.60%027%0.273CS..Hα-helixtrans-70.3-40.6179-54.10000112.9L366 A367 K368 N373 F493L366-S370 PolarHBondContact O-N 3.13Å; L366-S370 PolarHBondContact O-OG 3.46Å; A367-S370 WeakPolarHBondContact O-CB 3.4Å; A367-S370 PolarHBondContact O-N 3.46Å; A367-S370 VanDerWaalsContact O-N 3.12Å; K368-S370 PolarHBondContact O-N 3.35Å; S370-N373 PolarHBondContact O-N 3.27Å; S370-F493 WeakPolarHBondContact OG-CA 3.49Å; S370-F493 VanDerWaalsContact OG-CB 3.22Å; S370-F493 WeakPolarHBondContact OG-CB 3.36Å
371L97.7Very high96.3Very high29 Ų2959.9 Ų59.915%0.15229%0.285CS..Hα-helixtrans-66-39174.4-71.4169.3000112.1A367 K368 Q374 N392 M395 E396A367-L371 WeakPolarHBondContact O-CG 3.34Å; A367-L371 PolarHBondContact O-N 3.46Å; K368-L371 PolarHBondContact O-N 3.04Å; L371-Q374 PolarHBondContact O-N 2.65Å; L371-N392 HydrophobicContact CD2-CB 3.95Å; L371-M395 HydrophobicContact CD1-CB 4.19Å; L371-M395 HydrophobicContact CD2-CB 3.89Å; L371-M395 HydrophobicContact CG-CB 3.9Å; L371-E396 HydrophobicContact CD1-CG 3.88Å; L371-E396 HydrophobicContact CD2-CG 4.34Å
372D97.6Very high96.4Very high63 Ų6360 Ų6034%0.33729%0.286SS..Hα-helixtrans-69.1-35.6177.8-73.6-20.2000111.4K368 Q374 K375K368-D372 WeakPolarHBondContact O-CB 3.47Å; K368-D372 PolarHBondContact O-N 2.85Å; D372-Q374 VanDerWaalsContact C-N 3.27Å; D372-Q374 PolarHBondContact O-N 2.88Å; D372-K375 WeakPolarHBondContact O-CB 3.37Å; D372-K375 PolarHBondContact O-N 3.38Å; D372-K375 IonicContact OD1-NZ 3.61Å; D372-K375 PolarHBondContact OD1-NZ 3.47Å
373N97.2Very high96.5Very high18 Ų1858.1 Ų58.110%0.09628%0.279CS..Hα-helixtrans-57.3-39174.5-16973.2000112.6R369 S370 K375 T376 D378 L496R369-N373 PolarHBondContact O-N 2.94Å; S370-N373 PolarHBondContact O-N 3.27Å; N373-K375 PolarHBondContact O-N 3.46Å; N373-K375 VanDerWaalsContact O-N 3.09Å; N373-T376 PolarHBondContact O-N 3.39Å; N373-T376 PolarHBondContact O-OG1 3.32Å; N373-D378 PolarHBondContact ND2-O 3.13Å; N373-D378 PolarHBondContact OD1-O 2.94Å; N373-L496 HydrophobicContact CB-CD1 3.75Å; N373-L496 HydrophobicContact CB-CD2 4.19Å; N373-L496 WeakPolarHBondContact OD1-CD2 3.4Å
374Q96.7Very high96.5Very high13 Ų1359.6 Ų59.66%0.06129%0.289CS..THydrogen-bonded Turntrans-64.3-13178.4-64.9-54.4-33.300114.2L371 D372 I380 F391L371-Q374 PolarHBondContact O-N 2.65Å; D372-Q374 VanDerWaalsContact C-N 3.27Å; D372-Q374 PolarHBondContact O-N 2.88Å; Q374-I380 PolarHBondContact OE1-O 2.62Å; Q374-F391 HydrophobicContact CG-CE1 4.05Å
375K96.3Very high96.5Very high158 Ų15859.1 Ų59.169%0.68729%0.287SS*.THydrogen-bonded Turntrans-95.52.7177.8-54.5168.5-165.9159.20112.8D372 N373D372-K375 WeakPolarHBondContact O-CB 3.37Å; D372-K375 PolarHBondContact O-N 3.38Å; D372-K375 IonicContact OD1-NZ 3.61Å; D372-K375 PolarHBondContact OD1-NZ 3.47Å; N373-K375 PolarHBondContact O-N 3.46Å; N373-K375 VanDerWaalsContact O-N 3.09Å
376T95.1Very high96.4Very high63 Ų6360.5 Ų60.539%0.38728%0.284SS..SBendtrans-110.3173.6-176.774.80000111.8N373 D378 R379N373-T376 PolarHBondContact O-N 3.39Å; N373-T376 PolarHBondContact O-OG1 3.32Å; T376-D378 PolarHBondContact O-N 2.92Å; T376-D378 PolarHBondContact OG1-N 3.19Å; T376-D378 VanDerWaalsContact OG1-N 3.15Å; T376-R379 WeakPolarHBondContact O-CB 3.45Å; T376-R379 WeakPolarHBondContact O-CG 3.34Å; T376-R379 PolarHBondContact O-N 2.68Å
377D92.3Very high96.4Very high170 Ų17061.1 Ų61.191%0.90929%0.287SS*.THydrogen-bonded Turntrans-70.4-18.1171.5-62.7-25.6000112.5R379D377-R379 PolarHBondContact O-N 2.95Å
378D92.1Very high96.3Very high57 Ų5762.2 Ų62.231%0.30529%0.292SS..THydrogen-bonded Turntrans-90.223.3173-157.941.4000112.1N373 T376 R502N373-D378 PolarHBondContact ND2-O 3.13Å; N373-D378 PolarHBondContact OD1-O 2.94Å; T376-D378 PolarHBondContact O-N 2.92Å; T376-D378 PolarHBondContact OG1-N 3.19Å; T376-D378 VanDerWaalsContact OG1-N 3.15Å; D378-R502 WeakPolarHBondContact O-CD 3.47Å; D378-R502 WeakPolarHBondContact OD1-CD 3.36Å; D378-R502 IonicContact OD1-CZ 2.84Å; D378-R502 IonicContact OD1-NE 2.72Å; D378-R502 PolarHBondContact OD1-NE 2.96Å; D378-R502 IonicContact OD1-NH1 3.95Å; D378-R502 PolarHBondContact OD2-N 2.96Å
379R96.3Very high96.2Very high63 Ų6362.4 Ų62.424%0.23829%0.294CS..  trans-62166.8173.967.7-177.5-69.5-97.8-5.3112T376 D377 D381 E388 R502T376-R379 WeakPolarHBondContact O-CB 3.45Å; T376-R379 WeakPolarHBondContact O-CG 3.34Å; T376-R379 PolarHBondContact O-N 2.68Å; D377-R379 PolarHBondContact O-N 2.95Å; R379-D381 IonicContact CZ-OD1 3.17Å; R379-D381 IonicContact NH1-OD1 3.53Å; R379-D381 PolarHBondContact NH1-OD1 3.27Å; R379-D381 IonicContact NH2-OD1 3.71Å; R379-E388 IonicContact CZ-OE1 3.42Å; R379-E388 IonicContact NE-OE1 2.84Å; R379-E388 IonicContact NH2-OE1 3.26Å; R379-E388 PolarHBondContact NH2-OE1 2.9Å; R379-E388 IonicContact NH2-OE2 2.62Å; R379-E388 PolarHBondContact NH2-OE2 3.23Å; R379-R502 WeakPolarHBondContact O-CD 3.49Å; R379-R502 PolarHBondContact O-NH1 3.46Å
380I98.2Very high96.1Very high0 Ų061 Ų610%029%0.294CS..  trans-109.8126.6179.9-58.5171000107.7Q374 F382 I492 R502 P503 F504 N505 V507Q374-I380 PolarHBondContact OE1-O 2.62Å; I380-F382 HydrophobicContact CB-CE2 4.42Å; I380-F382 HydrophobicContact CG2-CE2 4.34Å; I380-F382 WeakPolarHBondContact O-CD2 3.13Å; I380-I492 HydrophobicContact CD1-CB 4.32Å; I380-I492 HydrophobicContact CD1-CD1 3.81Å; I380-I492 HydrophobicContact CD1-CG1 3.55Å; I380-I492 HydrophobicContact CD1-CG2 3.95Å; I380-R502 HydrophobicContact CD1-CB 4.12Å; I380-R502 HydrophobicContact CG1-CB 3.86Å; I380-P503 HydrophobicContact CD1-CG 4.47Å; I380-F504 HydrophobicContact CD1-CD2 4.27Å; I380-F504 HydrophobicContact CD1-CE2 4Å; I380-F504 HydrophobicContact CG2-CD2 3.63Å; I380-F504 HydrophobicContact CG2-CE2 3.82Å; I380-N505 WeakPolarHBondContact CA-O 3.47Å; I380-V507 HydrophobicContact CG2-CG2 3.56Å
381D97.6Very high96.1Very high51 Ų5161 Ų6127%0.27329%0.294SS..EExtended strand (participates in β ladder)trans-87.6116.5-177.3-73-49.8000110.9R379 Y383 N505 D506 V507R379-D381 IonicContact CZ-OD1 3.17Å; R379-D381 IonicContact NH1-OD1 3.53Å; R379-D381 PolarHBondContact NH1-OD1 3.27Å; R379-D381 IonicContact NH2-OD1 3.71Å; D381-Y383 HydrophobicContact CB-CE2 3.65Å; D381-Y383 WeakPolarHBondContact O-CD2 3.5Å; D381-N505 PolarHBondContact N-O 2.86Å; D381-D506 CarbonylContact O-C 3.47Å; D381-D506 WeakPolarHBondContact O-CA 3.37Å; D381-V507 PolarHBondContact O-N 3.16Å
382F97.7Very high96Very high6 Ų661.2 Ų61.23%0.02630%0.295CS..EExtended strand (participates in β ladder)trans-89.2133.1177-72.4-101000110.9I380 P384 Q385 F387 E388 F391 V488 I492 V507 L509I380-F382 HydrophobicContact CB-CE2 4.42Å; I380-F382 HydrophobicContact CG2-CE2 4.34Å; I380-F382 WeakPolarHBondContact O-CD2 3.13Å; F382-P384 CarbonylContact O-C 3.56Å; F382-Q385 WeakPolarHBondContact O-CA 3.45Å; F382-Q385 PolarHBondContact O-N 3.14Å; F382-F387 HydrophobicContact CB-CB 4.48Å; F382-F387 HydrophobicContact CD1-CB 4.14Å; F382-E388 HydrophobicContact CB-CB 4.17Å; F382-E388 HydrophobicContact CD2-CB 3.77Å; F382-E388 HydrophobicContact CD2-CG 4.11Å; F382-E388 HydrophobicContact CE2-CB 4.45Å; F382-E388 HydrophobicContact CE2-CG 4.47Å; F382-E388 HydrophobicContact CG-CB 4.1Å; F382-F391 HydrophobicContact CE1-CB 4.21Å; F382-F391 HydrophobicContact CE2-CD1 4.27Å; F382-F391 HydrophobicContact CE2-CG 4.49Å; F382-F391 HydrophobicContact CZ-CB 3.92Å; F382-F391 HydrophobicContact CZ-CD1 4.07Å; F382-F391 HydrophobicContact CZ-CD2 4.39Å; F382-F391 AromaticContact CZ-CG 3.86Å; F382-F391 HydrophobicContact CZ-CG 3.86Å; F382-V488 HydrophobicContact CE1-CG1 4.29Å; F382-I492 HydrophobicContact CZ-CD1 3.99Å; F382-V507 HydrophobicContact CD1-CB 3.97Å; F382-V507 HydrophobicContact CD1-CG1 4.16Å; F382-V507 HydrophobicContact CD1-CG2 4.45Å; F382-V507 HydrophobicContact CE1-CB 4.21Å; F382-V507 HydrophobicContact CE1-CG1 4.24Å; F382-V507 HydrophobicContact CE1-CG2 4.26Å; F382-V507 HydrophobicContact CG-CB 4.44Å; F382-L509 HydrophobicContact CD1-CD1 4.09Å
383Y97Very high95.9Very high72 Ų7263.2 Ų63.228%0.28230%0.303SS..EExtended strand (participates in β ladder)trans-121.3112.1176.3-64.4-94000109.8D381 D506 V507 L509 Y625D381-Y383 HydrophobicContact CB-CE2 3.65Å; D381-Y383 WeakPolarHBondContact O-CD2 3.5Å; Y383-D506 HydrophobicContact CD2-CB 4.13Å; Y383-D506 HydrophobicContact CE2-CB 3.83Å; Y383-V507 PolarHBondContact N-O 2.72Å; Y383-L509 PolarHBondContact O-N 2.73Å; Y383-Y625 AromaticContact CD1-CD2 3.86Å; Y383-Y625 HydrophobicContact CD1-CD2 3.86Å; Y383-Y625 HydrophobicContact CD1-CE2 4.34Å; Y383-Y625 HydrophobicContact CD2-CD2 4.04Å; Y383-Y625 AromaticContact CD2-CE2 3.87Å; Y383-Y625 HydrophobicContact CD2-CE2 3.87Å; Y383-Y625 HydrophobicContact CE1-CD2 4.2Å; Y383-Y625 HydrophobicContact CE1-CE2 4.35Å; Y383-Y625 HydrophobicContact CE2-CD2 4.37Å; Y383-Y625 AromaticContact CE2-CE2 3.89Å; Y383-Y625 HydrophobicContact CE2-CE2 3.89Å; Y383-Y625 AromaticContact CG-CD2 3.78Å; Y383-Y625 HydrophobicContact CG-CD2 3.78Å; Y383-Y625 HydrophobicContact CG-CE2 4.11Å
384P96.1Very high95.7Very high33 Ų3364.7 Ų64.721%0.21431%0.307CS..SBendcis-69.7153-7-18.831.1000114.6F382 R386 F387 P553F382-P384 CarbonylContact O-C 3.56Å; P384-R386 HydrophobicContact CB-CG 4.39Å; P384-R386 PolarHBondContact O-N 2.96Å; P384-F387 HydrophobicContact CG-CE2 4.46Å; P384-F387 PolarHBondContact O-N 3.37Å; P384-F387 VanDerWaalsContact O-N 3.12Å; P384-P553 HydrophobicContact CG-CB 4Å; P384-P553 WeakPolarHBondContact CG-O 3.26Å
385Q95.4Very high95.6Very high138 Ų13864.3 Ų64.365%0.64531%0.305SS*.THydrogen-bonded Turntrans-55.2-28.6-176.3-167179.111.800114.4F382 F387 E388F382-Q385 WeakPolarHBondContact O-CA 3.45Å; F382-Q385 PolarHBondContact O-N 3.14Å; Q385-F387 PolarHBondContact O-N 3.45Å; Q385-E388 VanDerWaalsContact O-CB 3.3Å; Q385-E388 WeakPolarHBondContact O-CB 3.33Å; Q385-E388 PolarHBondContact O-N 3.21Å
386R95.3Very high95.6Very high124 Ų12462.9 Ų62.947%0.46830%0.301SS..Hα-helixtrans-55.9-27179.173.1-176.8179.3-146.6-1.3113.7P384 E388 H389 G554P384-R386 HydrophobicContact CB-CG 4.39Å; P384-R386 PolarHBondContact O-N 2.96Å; R386-E388 VanDerWaalsContact C-N 3.29Å; R386-E388 PolarHBondContact O-N 3.5Å; R386-H389 WeakPolarHBondContact O-CB 3.31Å; R386-H389 PolarHBondContact O-N 3.05Å; R386-G554 PolarHBondContact NH2-O 3.03Å
387F96.6Very high95.4Very high19 Ų1965.5 Ų65.58%0.08331%0.313CS..Hα-helixtrans-75-17.5-179.6-72.3-63.8000113.7F382 P384 Q385 H389 T390 F391 Y481 I484 L509F382-F387 HydrophobicContact CB-CB 4.48Å; F382-F387 HydrophobicContact CD1-CB 4.14Å; P384-F387 HydrophobicContact CG-CE2 4.46Å; P384-F387 PolarHBondContact O-N 3.37Å; P384-F387 VanDerWaalsContact O-N 3.12Å; Q385-F387 PolarHBondContact O-N 3.45Å; F387-H389 VanDerWaalsContact C-N 3.28Å; F387-H389 PolarHBondContact O-N 3.39Å; F387-T390 WeakPolarHBondContact O-CB 3.2Å; F387-T390 PolarHBondContact O-N 2.87Å; F387-F391 WeakPolarHBondContact O-CB 3.39Å; F387-F391 PolarHBondContact O-N 3.46Å; F387-Y481 HydrophobicContact CE1-CG 4.34Å; F387-Y481 HydrophobicContact CZ-CD1 4.12Å; F387-Y481 HydrophobicContact CZ-CG 4.14Å; F387-I484 HydrophobicContact CB-CD1 4.32Å; F387-I484 HydrophobicContact CD1-CD1 3.46Å; F387-I484 VanDerWaalsContact CD1-CD1 3.46Å; F387-I484 HydrophobicContact CE1-CD1 3.9Å; F387-I484 HydrophobicContact CG-CD1 4.03Å; F387-L509 HydrophobicContact CB-CD1 3.33Å; F387-L509 HydrophobicContact CD1-CD1 4.03Å; F387-L509 HydrophobicContact CD2-CB 3.79Å; F387-L509 HydrophobicContact CD2-CD1 3.38Å; F387-L509 HydrophobicContact CD2-CG 4.22Å; F387-L509 HydrophobicContact CE2-CB 3.8Å; F387-L509 HydrophobicContact CE2-CD1 4.1Å; F387-L509 HydrophobicContact CG-CD1 3.33Å
388E96Very high95.3Very high26 Ų2659.3 Ų59.312%0.12128%0.279CS..Hα-helixtrans-61-41.6168.6-176.9-179.2-166.100110.6R379 F382 Q385 R386 T390 F391 N392R379-E388 IonicContact CZ-OE1 3.42Å; R379-E388 IonicContact NE-OE1 2.84Å; R379-E388 IonicContact NH2-OE1 3.26Å; R379-E388 PolarHBondContact NH2-OE1 2.9Å; R379-E388 IonicContact NH2-OE2 2.62Å; R379-E388 PolarHBondContact NH2-OE2 3.23Å; F382-E388 HydrophobicContact CB-CB 4.17Å; F382-E388 HydrophobicContact CD2-CB 3.77Å; F382-E388 HydrophobicContact CD2-CG 4.11Å; F382-E388 HydrophobicContact CE2-CB 4.45Å; F382-E388 HydrophobicContact CE2-CG 4.47Å; F382-E388 HydrophobicContact CG-CB 4.1Å; Q385-E388 VanDerWaalsContact O-CB 3.3Å; Q385-E388 WeakPolarHBondContact O-CB 3.33Å; Q385-E388 PolarHBondContact O-N 3.21Å; R386-E388 VanDerWaalsContact C-N 3.29Å; R386-E388 PolarHBondContact O-N 3.5Å; E388-T390 VanDerWaalsContact C-N 3.34Å; E388-T390 PolarHBondContact O-N 3.07Å; E388-F391 PolarHBondContact O-N 2.64Å; E388-N392 WeakPolarHBondContact O-CB 3.03Å; E388-N392 PolarHBondContact O-N 3.46Å; E388-N392 PolarHBondContact O-ND2 3.4Å
389H95.2Very high95.1Very high130 Ų13064.4 Ų64.460%0.60229%0.294SS*.Hα-helixtrans-63.6-41.8175.7-176.560.5000111.7R386 F387 F391 N392 Q393R386-H389 WeakPolarHBondContact O-CB 3.31Å; R386-H389 PolarHBondContact O-N 3.05Å; F387-H389 VanDerWaalsContact C-N 3.28Å; F387-H389 PolarHBondContact O-N 3.39Å; H389-F391 VanDerWaalsContact C-N 3.35Å; H389-F391 PolarHBondContact O-N 3.3Å; H389-N392 PolarHBondContact O-N 2.96Å; H389-Q393 WeakPolarHBondContact O-CB 3.25Å; H389-Q393 PolarHBondContact O-N 3.17Å
390T95Very high94.9Very high47 Ų4763.1 Ų63.129%0.28829%0.292SS..Hα-helixtrans-59.9-44.2174.6-56.20000111.9F387 E388 W394 F485F387-T390 WeakPolarHBondContact O-CB 3.2Å; F387-T390 PolarHBondContact O-N 2.87Å; E388-T390 VanDerWaalsContact C-N 3.34Å; E388-T390 PolarHBondContact O-N 3.07Å; T390-W394 PolarHBondContact O-N 3.35Å; T390-F485 HydrophobicContact CG2-CE1 3.75Å; T390-F485 HydrophobicContact CG2-CZ 3.54Å
391F96.5Very high94.6Very high0 Ų063.9 Ų63.90%030%0.295CS..Hα-helixtrans-61.6-50174.5165.7-102.8000111.5Q374 F382 F387 E388 H389 Q393 W394 M395 A489 I492Q374-F391 HydrophobicContact CG-CE1 4.05Å; F382-F391 HydrophobicContact CE1-CB 4.21Å; F382-F391 HydrophobicContact CE2-CD1 4.27Å; F382-F391 HydrophobicContact CE2-CG 4.49Å; F382-F391 HydrophobicContact CZ-CB 3.92Å; F382-F391 HydrophobicContact CZ-CD1 4.07Å; F382-F391 HydrophobicContact CZ-CD2 4.39Å; F382-F391 AromaticContact CZ-CG 3.86Å; F382-F391 HydrophobicContact CZ-CG 3.86Å; F387-F391 WeakPolarHBondContact O-CB 3.39Å; F387-F391 PolarHBondContact O-N 3.46Å; E388-F391 PolarHBondContact O-N 2.64Å; H389-F391 VanDerWaalsContact C-N 3.35Å; H389-F391 PolarHBondContact O-N 3.3Å; F391-Q393 PolarHBondContact O-N 3.48Å; F391-W394 PolarHBondContact O-N 3.14Å; F391-M395 HydrophobicContact CD2-CG 3.94Å; F391-M395 HydrophobicContact CE1-CG 4.17Å; F391-M395 HydrophobicContact CE2-CE 4.48Å; F391-M395 HydrophobicContact CE2-CG 3.46Å; F391-M395 VanDerWaalsContact CE2-CG 3.46Å; F391-M395 HydrophobicContact CE2-SD 3.91Å; F391-M395 HydrophobicContact CG-CG 4.48Å; F391-M395 HydrophobicContact CZ-CE 4.49Å; F391-M395 HydrophobicContact CZ-CG 3.6Å; F391-M395 HydrophobicContact CZ-SD 4.37Å; F391-M395 WeakPolarHBondContact O-CG 3.46Å; F391-M395 PolarHBondContact O-N 3.06Å; F391-A489 HydrophobicContact CD2-CB 3.85Å; F391-A489 HydrophobicContact CE2-CB 3.68Å; F391-I492 HydrophobicContact CD2-CD1 4.21Å; F391-I492 HydrophobicContact CE1-CD1 4.45Å; F391-I492 HydrophobicContact CE2-CD1 3.7Å; F391-I492 HydrophobicContact CZ-CB 4.47Å; F391-I492 HydrophobicContact CZ-CD1 3.83Å; F391-I492 HydrophobicContact CZ-CG2 4.06Å
392N96Very high94.4Very high34 Ų3462.3 Ų62.318%0.18229%0.287CS..Hα-helixtrans-59.8-48.1-178.4-69.8-16.9000111.8L371 E388 H389 W394 M395 E396L371-N392 HydrophobicContact CD2-CB 3.95Å; E388-N392 WeakPolarHBondContact O-CB 3.03Å; E388-N392 PolarHBondContact O-N 3.46Å; E388-N392 PolarHBondContact O-ND2 3.4Å; H389-N392 PolarHBondContact O-N 2.96Å; N392-W394 PolarHBondContact O-N 2.99Å; N392-M395 PolarHBondContact O-N 2.93Å; N392-E396 VanDerWaalsContact O-CG 3.32Å; N392-E396 WeakPolarHBondContact O-CG 3.26Å; N392-E396 PolarHBondContact O-N 3.49Å
393Q95.1Very high94.2Very high105 Ų10562 Ų6249%0.49129%0.286SS..Hα-helixtrans-59.9-36.9178.9-173.8-178.30.900112.1H389 F391 N397H389-Q393 WeakPolarHBondContact O-CB 3.25Å; H389-Q393 PolarHBondContact O-N 3.17Å; F391-Q393 PolarHBondContact O-N 3.48Å; Q393-N397 PolarHBondContact O-ND2 2.89Å
394W93.6Very high94.1Very high50 Ų5058.6 Ų58.619%0.18927%0.272CS..Hα-helixtrans-68.7-44.7176.7-175.376.2000111.8I187 T390 F391 N392 E396 N397 I398 F485 A489I187-W394 HydrophobicContact CD1-CZ2 3.75Å; T390-W394 PolarHBondContact O-N 3.35Å; F391-W394 PolarHBondContact O-N 3.14Å; N392-W394 PolarHBondContact O-N 2.99Å; W394-E396 VanDerWaalsContact C-N 3.31Å; W394-E396 PolarHBondContact O-N 3.46Å; W394-N397 PolarHBondContact O-N 3.4Å; W394-I398 HydrophobicContact CE3-CD1 4.21Å; W394-I398 HydrophobicContact CH2-CD1 3.35Å; W394-I398 HydrophobicContact CH2-CG1 4.21Å; W394-I398 HydrophobicContact CZ2-CD1 3.83Å; W394-I398 HydrophobicContact CZ2-CG1 4.2Å; W394-I398 HydrophobicContact CZ3-CD1 3.55Å; W394-I398 PolarHBondContact O-N 3.23Å; W394-I398 VanDerWaalsContact O-N 3.17Å; W394-F485 HydrophobicContact CB-CD1 3.62Å; W394-F485 HydrophobicContact CB-CE1 3.42Å; W394-F485 VanDerWaalsContact CB-CE1 3.42Å; W394-F485 HydrophobicContact CB-CZ 4.25Å; W394-F485 AromaticContact CD1-CD1 3.62Å; W394-F485 AromaticContact CD1-CE1 3.92Å; W394-F485 AromaticContact CD1-CG 3.77Å; W394-F485 HydrophobicContact CD2-CB 4.04Å; W394-F485 AromaticContact CD2-CD1 3.58Å; W394-F485 HydrophobicContact CD2-CD1 3.58Å; W394-F485 HydrophobicContact CD2-CE1 4.34Å; W394-F485 HydrophobicContact CD2-CG 4.02Å; W394-F485 HydrophobicContact CE3-CD1 4.16Å; W394-F485 HydrophobicContact CG-CB 4.42Å; W394-F485 AromaticContact CG-CD1 3.3Å; W394-F485 HydrophobicContact CG-CD1 3.3Å; W394-F485 AromaticContact CG-CE1 3.6Å; W394-F485 HydrophobicContact CG-CE1 3.6Å; W394-F485 AromaticContact CG-CG 3.89Å; W394-F485 HydrophobicContact CG-CG 3.89Å; W394-F485 HydrophobicContact CG-CZ 4.38Å; W394-F485 WeakPolarHBondContact CH2-O 3.37Å; W394-F485 HydrophobicContact CZ2-CB 3.98Å; W394-F485 AromaticContact NE1-CG 3.84Å; W394-A489 HydrophobicContact CE3-CB 3.7Å; W394-A489 HydrophobicContact CH2-CB 4.21Å; W394-A489 HydrophobicContact CZ3-CB 3.29Å
395M95.1Very high93.9Very high4 Ų457.2 Ų57.22%0.0226%0.263CS..Hα-helixtrans-65.6-31.2178.4-65.6-57.2-7900113A367 L371 F391 N392 N397 I398 A489 F493A367-M395 HydrophobicContact CB-CE 3.68Å; L371-M395 HydrophobicContact CD1-CB 4.19Å; L371-M395 HydrophobicContact CD2-CB 3.89Å; L371-M395 HydrophobicContact CG-CB 3.9Å; F391-M395 HydrophobicContact CD2-CG 3.94Å; F391-M395 HydrophobicContact CE1-CG 4.17Å; F391-M395 HydrophobicContact CE2-CE 4.48Å; F391-M395 HydrophobicContact CE2-CG 3.46Å; F391-M395 VanDerWaalsContact CE2-CG 3.46Å; F391-M395 HydrophobicContact CE2-SD 3.91Å; F391-M395 HydrophobicContact CG-CG 4.48Å; F391-M395 HydrophobicContact CZ-CE 4.49Å; F391-M395 HydrophobicContact CZ-CG 3.6Å; F391-M395 HydrophobicContact CZ-SD 4.37Å; F391-M395 WeakPolarHBondContact O-CG 3.46Å; F391-M395 PolarHBondContact O-N 3.06Å; N392-M395 PolarHBondContact O-N 2.93Å; M395-N397 VanDerWaalsContact C-N 3.3Å; M395-N397 PolarHBondContact O-N 3.48Å; M395-I398 WeakPolarHBondContact O-CG2 3.48Å; M395-I398 HydrophobicContact SD-CD1 4.3Å; M395-A489 HydrophobicContact SD-CB 4.2Å; M395-F493 HydrophobicContact CE-CD1 4.24Å
396E94.8Very high93.8Very high129 Ų12952.1 Ų52.160%0.60324%0.239SC*.Hα-helixtrans-67.9-26.6176.2-74.9169.8177.400113.5L371 N392 W394L371-E396 HydrophobicContact CD1-CG 3.88Å; L371-E396 HydrophobicContact CD2-CG 4.34Å; N392-E396 VanDerWaalsContact O-CG 3.32Å; N392-E396 WeakPolarHBondContact O-CG 3.26Å; N392-E396 PolarHBondContact O-N 3.49Å; W394-E396 VanDerWaalsContact C-N 3.31Å; W394-E396 PolarHBondContact O-N 3.46Å
397N90.9Very high93.6Very high118 Ų11846.6 Ų46.663%0.63122%0.219SC*.THydrogen-bonded Turntrans-115.511.7-173.7-62.4-73000113.3Q393 W394 M395Q393-N397 PolarHBondContact O-ND2 2.89Å; W394-N397 PolarHBondContact O-N 3.4Å; M395-N397 VanDerWaalsContact C-N 3.3Å; M395-N397 PolarHBondContact O-N 3.48Å
398I91.4Very high93.4Very high39 Ų3947.6 Ų47.620%0.222%0.222CC..PPolyproline II helixtrans-69.3141-173.4-163.6172.2000111.8M363 A367 W394 M395M363-I398 HydrophobicContact CB-CD1 4.18Å; M363-I398 HydrophobicContact CB-CG1 4.19Å; M363-I398 HydrophobicContact CB-CG2 3.84Å; M363-I398 HydrophobicContact CE-CD1 3.63Å; M363-I398 HydrophobicContact CG-CD1 4.02Å; M363-I398 HydrophobicContact CG-CG1 4.21Å; A367-I398 HydrophobicContact CB-CG2 3.59Å; W394-I398 HydrophobicContact CE3-CD1 4.21Å; W394-I398 HydrophobicContact CH2-CD1 3.35Å; W394-I398 HydrophobicContact CH2-CG1 4.21Å; W394-I398 HydrophobicContact CZ2-CD1 3.83Å; W394-I398 HydrophobicContact CZ2-CG1 4.2Å; W394-I398 HydrophobicContact CZ3-CD1 3.55Å; W394-I398 PolarHBondContact O-N 3.23Å; W394-I398 VanDerWaalsContact O-N 3.17Å; M395-I398 WeakPolarHBondContact O-CG2 3.48Å; M395-I398 HydrophobicContact SD-CD1 4.3Å
399R87.8Confident93.3Very high164 Ų16446.5 Ų46.562%0.61922%0.217SC*.PPolyproline II helixtrans-100.6164.2173.7-64.8-179175.2-169.2-5.6110.8M363 W401M363-R399 WeakPolarHBondContact CG-O 3.33Å; R399-W401 PolarHBondContact O-N 2.84Å
400D91.8Very high93.3Very high36 Ų3641 Ų4119%0.19320%0.195CC..PPolyproline II helixtrans-54.9133173.7-67.9-11.5000111Y168 R172 V361 R362 M363Y168-D400 PolarHBondContact OH-OD2 2.83Å; R172-D400 IonicContact CZ-OD2 2.8Å; R172-D400 IonicContact NH1-OD2 3.57Å; R172-D400 PolarHBondContact NH1-OD2 3.48Å; R172-D400 IonicContact NH2-OD2 3.31Å; R172-D400 PolarHBondContact NH2-OD2 2.84Å; V361-D400 CarbonylContact O-C 3.55Å; V361-D400 VanDerWaalsContact O-CA 3.29Å; V361-D400 WeakPolarHBondContact O-CA 3.49Å; V361-D400 WeakPolarHBondContact O-CB 3.24Å; R362-D400 WeakPolarHBondContact CA-OD1 3.48Å; M363-D400 PolarHBondContact N-OD1 3.23Å
401W92.4Very high93.4Very high17 Ų1739.3 Ų39.36%0.06418%0.184CC..EExtended strand (participates in β ladder)trans-89.3119.1-172.7168.127.7000110.5F360 V361 M363 R399 I403 D445 W447 F448 R490 F493F360-W401 CarbonylContact C-O 3.48Å; F360-W401 VanDerWaalsContact CA-O 3.25Å; F360-W401 WeakPolarHBondContact CA-O 3.42Å; V361-W401 HydrophobicContact CB-CB 4.32Å; V361-W401 HydrophobicContact CB-CE3 4.23Å; V361-W401 HydrophobicContact CG2-CE3 4.1Å; V361-W401 PolarHBondContact N-O 3.47Å; V361-W401 PolarHBondContact O-N 3.4Å; M363-W401 HydrophobicContact CG-CB 4.05Å; M363-W401 HydrophobicContact SD-CB 4.05Å; M363-W401 HydrophobicContact SD-CE3 4.39Å; R399-W401 PolarHBondContact O-N 2.84Å; W401-I403 HydrophobicContact CD2-CG2 3.45Å; W401-I403 VanDerWaalsContact CD2-CG2 3.45Å; W401-I403 HydrophobicContact CE3-CG2 3.8Å; W401-I403 HydrophobicContact CG-CG2 3.87Å; W401-I403 HydrophobicContact CH2-CG2 4.42Å; W401-I403 HydrophobicContact CZ2-CG2 4.03Å; W401-I403 HydrophobicContact CZ3-CG2 4.27Å; W401-I403 PolarHBondContact O-N 2.77Å; W401-D445 HydrophobicContact CZ2-CB 4.24Å; W401-D445 PolarHBondContact NE1-OD2 2.93Å; W401-W447 HydrophobicContact CZ2-CB 3.97Å; W401-F448 VanDerWaalsContact CH2-CA 3.42Å; W401-F448 HydrophobicContact CH2-CB 3.88Å; W401-F448 AromaticContact CH2-CD2 3.89Å; W401-F448 HydrophobicContact CH2-CD2 3.89Å; W401-F448 HydrophobicContact CH2-CG 4.33Å; W401-F448 HydrophobicContact CZ2-CB 4Å; W401-F448 HydrophobicContact CZ2-CD2 4.42Å; W401-F448 AromaticContact CZ3-CD2 3.95Å; W401-F448 HydrophobicContact CZ3-CD2 3.95Å; W401-R490 VanDerWaalsContact CE2-NH2 3.35Å; W401-R490 HydrophobicContact CH2-CG 4.32Å; W401-R490 HydrophobicContact CZ3-CG 4.37Å; W401-F493 AromaticContact CE3-CZ 3.99Å; W401-F493 HydrophobicContact CE3-CZ 3.99Å; W401-F493 HydrophobicContact CZ3-CE2 4.17Å; W401-F493 AromaticContact CZ3-CZ 3.73Å; W401-F493 HydrophobicContact CZ3-CZ 3.73Å
402T91.8Very high93.4Very high17 Ų1742.3 Ų42.310%0.10420%0.198CC..EExtended strand (participates in β ladder)trans-69.2114170.7-50.20000110I174 A183 Q358 F360 R405I174-T402 HydrophobicContact CG2-CG2 4.31Å; A183-T402 HydrophobicContact CB-CG2 4.39Å; Q358-T402 HydrophobicContact CB-CG2 4.13Å; Q358-T402 HydrophobicContact CG-CG2 4.39Å; F360-T402 HydrophobicContact CE1-CG2 4.11Å; F360-T402 WeakPolarHBondContact CE1-OG1 3.32Å; T402-R405 PolarHBondContact O-NH1 2.76Å
403I94.3Very high93.5Very high0 Ų040.7 Ų40.70%019%0.189CC..  trans-106.8-14.5-174.154.6161.6000114.5F158 I167 W359 V361 W401 L444 D445 F448F158-I403 HydrophobicContact CD2-CD1 4.13Å; F158-I403 HydrophobicContact CE2-CD1 3.8Å; I167-I403 HydrophobicContact CD1-CD1 3.78Å; I167-I403 HydrophobicContact CG1-CD1 4.04Å; I167-I403 HydrophobicContact CG2-CD1 4.26Å; W359-I403 HydrophobicContact CB-CD1 4.15Å; W359-I403 HydrophobicContact CB-CG1 3.79Å; W359-I403 VanDerWaalsContact O-CG1 3.28Å; W359-I403 WeakPolarHBondContact O-CG1 3.48Å; W359-I403 PolarHBondContact O-N 2.85Å; V361-I403 HydrophobicContact CB-CG2 4.44Å; V361-I403 HydrophobicContact CG2-CD1 3.93Å; V361-I403 HydrophobicContact CG2-CG1 4.31Å; V361-I403 HydrophobicContact CG2-CG2 3.55Å; W401-I403 HydrophobicContact CD2-CG2 3.45Å; W401-I403 VanDerWaalsContact CD2-CG2 3.45Å; W401-I403 HydrophobicContact CE3-CG2 3.8Å; W401-I403 HydrophobicContact CG-CG2 3.87Å; W401-I403 HydrophobicContact CH2-CG2 4.42Å; W401-I403 HydrophobicContact CZ2-CG2 4.03Å; W401-I403 HydrophobicContact CZ3-CG2 4.27Å; W401-I403 PolarHBondContact O-N 2.77Å; I403-L444 HydrophobicContact CB-CD2 4.38Å; I403-L444 HydrophobicContact CD1-CD2 4.02Å; I403-L444 HydrophobicContact CG1-CD2 4.46Å; I403-L444 CarbonylContact O-C 3.51Å; I403-L444 VanDerWaalsContact O-CA 3.31Å; I403-L444 WeakPolarHBondContact O-CA 3.3Å; I403-D445 PolarHBondContact O-N 2.97Å; I403-F448 HydrophobicContact CB-CD2 4.24Å; I403-F448 HydrophobicContact CD1-CD2 4.4Å; I403-F448 HydrophobicContact CD1-CE2 4.06Å; I403-F448 HydrophobicContact CG2-CD2 3.71Å; I403-F448 HydrophobicContact CG2-CE2 4.25Å
404S94.8Very high93.6Very high0 Ų035.8 Ų35.80%017%0.166CC..EExtended strand (participates in β ladder)trans-83.8149.7173.542.90000111.9Q358 W359 V443Q358-S404 WeakPolarHBondContact CB-OG 3.39Å; Q358-S404 PolarHBondContact OE1-OG 2.98Å; W359-S404 PolarHBondContact N-OG 2.67Å; S404-V443 CarbonylContact C-O 3.54Å
405R92.4Very high93.8Very high4 Ų433.4 Ų33.42%0.01516%0.157CC..EExtended strand (participates in β ladder)trans-143.3136.6177.9-64.5-64.3-174.6-75.1-3.7109.5A183 E188 T402 L407 V443 D445A183-R405 WeakPolarHBondContact O-CD 3.29Å; A183-R405 PolarHBondContact O-NE 2.75Å; E188-R405 IonicContact OE2-CZ 3.64Å; E188-R405 IonicContact OE2-NE 2.68Å; E188-R405 IonicContact OE2-NH2 3.88Å; E188-R405 PolarHBondContact OE2-NH2 3.43Å; T402-R405 PolarHBondContact O-NH1 2.76Å; R405-L407 HydrophobicContact CB-CD1 3.9Å; R405-L407 HydrophobicContact CB-CG 4.08Å; R405-L407 HydrophobicContact CG-CD1 4.46Å; R405-L407 PolarHBondContact O-N 3.32Å; R405-V443 HydrophobicContact CB-CG2 4.11Å; R405-V443 PolarHBondContact N-O 3.44Å; R405-V443 PolarHBondContact O-N 2.78Å; R405-D445 HydrophobicContact CG-CB 4.44Å; R405-D445 IonicContact CZ-OD2 3.11Å; R405-D445 VanDerWaalsContact NH2-CG 3.27Å; R405-D445 IonicContact NH2-OD1 2.71Å; R405-D445 IonicContact NH2-OD2 2.97Å; R405-D445 PolarHBondContact NH2-OD2 3.21Å
406Q92Very high93.9Very high32 Ų3233.8 Ų33.815%0.1516%0.159CC..SBendtrans-86.152.2-177.9-66.864.246.400110.4W176 R181 T182 D442W176-Q406 HydrophobicContact CH2-CB 4.32Å; W176-Q406 HydrophobicContact CH2-CG 3.99Å; W176-Q406 HydrophobicContact CZ3-CG 4.11Å; W176-Q406 VanDerWaalsContact CZ3-OE1 3.25Å; R181-Q406 WeakPolarHBondContact O-CB 3.39Å; T182-Q406 PolarHBondContact OG1-N 2.92Å; Q406-D442 WeakPolarHBondContact CG-OD1 3.35Å; Q406-D442 PolarHBondContact NE2-OD1 3.48Å; Q406-D442 PolarHBondContact NE2-OD2 2.82Å
407L91.6Very high94Very high8 Ų829.4 Ų29.44%0.04214%0.137CC..  trans-112.1165.4-179.5-57.9168.4000109.4I86 Q89 T182 R405 V443I86-L407 HydrophobicContact CB-CD1 3.69Å; I86-L407 HydrophobicContact CG1-CD1 4.23Å; I86-L407 HydrophobicContact CG1-CD2 4.26Å; Q89-L407 HydrophobicContact CG-CD2 4.25Å; T182-L407 HydrophobicContact CG2-CD2 4.32Å; R405-L407 HydrophobicContact CB-CD1 3.9Å; R405-L407 HydrophobicContact CB-CG 4.08Å; R405-L407 HydrophobicContact CG-CD1 4.46Å; R405-L407 PolarHBondContact O-N 3.32Å; L407-V443 HydrophobicContact CB-CG2 3.63Å; L407-V443 HydrophobicContact CD1-CG2 4.49Å; L407-V443 WeakPolarHBondContact O-CG1 3.18Å
408W92.5Very high94.3Very high39 Ų3925.3 Ų25.315%0.14811%0.114CC..SBendtrans-100.9-30.9173.4-66.9-9.7000111.3R103 Y104 R108 F111 L112R103-W408 HydrophobicContact CB-CE3 4.02Å; R103-W408 HydrophobicContact CB-CH2 4.13Å; R103-W408 HydrophobicContact CB-CZ3 3.57Å; R103-W408 HydrophobicContact CG-CE3 4.3Å; R103-W408 HydrophobicContact CG-CH2 3.99Å; R103-W408 HydrophobicContact CG-CZ3 3.89Å; R103-W408 WeakPolarHBondContact O-CH2 3.44Å; R103-W408 WeakPolarHBondContact O-CZ3 3.29Å; Y104-W408 HydrophobicContact CD1-CH2 4.18Å; Y104-W408 HydrophobicContact CD1-CZ2 4.12Å; Y104-W408 HydrophobicContact CE1-CZ2 4.22Å; R108-W408 HydrophobicContact CB-CD2 4.2Å; R108-W408 HydrophobicContact CB-CE3 4.24Å; R108-W408 HydrophobicContact CB-CZ3 4.47Å; R108-W408 HydrophobicContact CG-CB 4.3Å; R108-W408 HydrophobicContact CG-CD2 4.15Å; R108-W408 HydrophobicContact CG-CE3 4.45Å; R108-W408 HydrophobicContact CG-CG 4.08Å; F111-W408 HydrophobicContact CB-CE3 3.62Å; F111-W408 HydrophobicContact CB-CZ3 3.77Å; F111-W408 HydrophobicContact CD1-CB 3.91Å; F111-W408 HydrophobicContact CD1-CD2 4.46Å; F111-W408 AromaticContact CD1-CE3 3.67Å; F111-W408 HydrophobicContact CD1-CE3 3.67Å; F111-W408 HydrophobicContact CD2-CE3 4.44Å; F111-W408 HydrophobicContact CE1-CB 4.11Å; F111-W408 AromaticContact CG-CE3 3.63Å; F111-W408 HydrophobicContact CG-CE3 3.63Å; F111-W408 HydrophobicContact CG-CZ3 4.11Å; L112-W408 WeakPolarHBondContact CD2-O 3.46Å
409W94.4Very high94.5Very high3 Ų329.5 Ų29.51%0.01113%0.131CC..SBendtrans-88.1115.8175.8-172.7-115000111.7H83 Q89 L112 A115 W116 F144 L146H83-W409 HydrophobicContact CB-CZ2 4.23Å; H83-W409 AromaticContact CD2-NE1 3.97Å; H83-W409 PolarHBondContact O-NE1 3.11Å; Q89-W409 HydrophobicContact CB-CB 4.25Å; L112-W409 HydrophobicContact CD2-CE3 3.75Å; L112-W409 HydrophobicContact CD2-CZ3 4.31Å; A115-W409 HydrophobicContact CB-CD2 3.87Å; A115-W409 HydrophobicContact CB-CE3 3.47Å; A115-W409 VanDerWaalsContact CB-CE3 3.47Å; A115-W409 HydrophobicContact CB-CG 4.46Å; A115-W409 HydrophobicContact CB-CH2 4.33Å; A115-W409 HydrophobicContact CB-CZ3 3.74Å; W116-W409 AromaticContact CD1-CZ3 3.75Å; W116-W409 AromaticContact CD2-CH2 3.68Å; W116-W409 HydrophobicContact CD2-CH2 3.68Å; W116-W409 HydrophobicContact CD2-CZ3 4.08Å; W116-W409 AromaticContact CE2-CH2 3.66Å; W116-W409 AromaticContact CE2-CZ3 3.81Å; W116-W409 HydrophobicContact CE3-CH2 4.12Å; W116-W409 AromaticContact CG-CH2 4Å; W116-W409 HydrophobicContact CG-CH2 4Å; W116-W409 HydrophobicContact CG-CZ3 4.04Å; W116-W409 HydrophobicContact CH2-CH2 4.48Å; W116-W409 HydrophobicContact CZ2-CH2 4.07Å; W116-W409 HydrophobicContact CZ2-CZ3 4.42Å; W116-W409 HydrophobicContact CZ3-CH2 4.49Å; W116-W409 AromaticContact NE1-CH2 3.94Å; W116-W409 AromaticContact NE1-CZ3 3.59Å; F144-W409 HydrophobicContact CE1-CZ2 4.35Å; F144-W409 HydrophobicContact CZ-CZ2 4.01Å; L146-W409 HydrophobicContact CD1-CD2 4.03Å; L146-W409 HydrophobicContact CD1-CE3 4.27Å; L146-W409 HydrophobicContact CD1-CH2 3.75Å; L146-W409 HydrophobicContact CD1-CZ2 3.47Å; L146-W409 VanDerWaalsContact CD1-CZ2 3.47Å; L146-W409 HydrophobicContact CD1-CZ3 4.14Å
410G95.5Very high94.8Very high14 Ų1430.1 Ų30.114%0.14414%0.141CC..SBendtrans149-178.4-177.900000111.4Q412G410-Q412 PolarHBondContact O-N 3.22Å
411H96.8Very high94.9Very high13 Ų1332.9 Ų32.96%0.0616%0.159CC..  trans-75.2110.9175-63.993.2000109.7T145 V154 I413 V443 L444 S449T145-H411 PolarHBondContact O-CE1 2.8Å; T145-H411 PolarHBondContact O-NE2 3.13Å; V154-H411 HydrophobicContact CG1-CB 3.91Å; H411-I413 PolarHBondContact O-N 3.13Å; H411-V443 CarbonylContact O-C 3.6Å; H411-V443 WeakPolarHBondContact O-CA 3.22Å; H411-V443 WeakPolarHBondContact O-CB 3.26Å; H411-L444 HydrophobicContact CB-CB 4.31Å; H411-L444 HydrophobicContact CB-CD1 4.09Å; H411-L444 PolarHBondContact O-N 2.75Å; H411-S449 WeakPolarHBondContact CE1-CB 3.45Å; H411-S449 WeakPolarHBondContact ND1-CB 3.43Å
412Q95.9Very high94.9Very high62 Ų6234.5 Ų34.529%0.2918%0.181SC..BIsolated β-bridgetrans-60.8133.9175.7-169.3176.23.900110.5G410 Q439 D440G410-Q412 PolarHBondContact O-N 3.22Å; Q412-Q439 VanDerWaalsContact CD-CD 3.47Å; Q412-Q439 HydrophobicContact CG-CG 4.43Å; Q412-D440 VanDerWaalsContact CG-O 3.3Å; Q412-D440 WeakPolarHBondContact CG-O 3.49Å; Q412-D440 PolarHBondContact NE2-O 3.15Å
413I97.6Very high95Very high0 Ų039.4 Ų39.40%020%0.203CC..  trans-60.9129.5-176.5-67.7-179.6000109.5F158 W359 H411 A415 Q439 D440 D442 L444F158-I413 HydrophobicContact CE1-CG2 4.08Å; F158-I413 HydrophobicContact CE2-CG2 3.9Å; F158-I413 HydrophobicContact CZ-CG2 3.52Å; W359-I413 HydrophobicContact CG-CD1 4.15Å; H411-I413 PolarHBondContact O-N 3.13Å; I413-A415 HydrophobicContact CG2-CB 3.78Å; I413-A415 PolarHBondContact O-N 3.22Å; I413-Q439 PolarHBondContact O-NE2 3.43Å; I413-D440 HydrophobicContact CB-CB 4.08Å; I413-D440 HydrophobicContact CG2-CB 4.17Å; I413-D442 HydrophobicContact CD1-CB 3.74Å; I413-D442 HydrophobicContact CG1-CB 4.43Å; I413-D442 PolarHBondContact N-O 3.48Å; I413-L444 HydrophobicContact CD1-CD2 4.3Å; I413-L444 HydrophobicContact CG1-CD2 3.86Å; I413-L444 HydrophobicContact CG1-CG 3.93Å
414P97.5Very high95.1Very high2 Ų242.1 Ų42.11%0.01322%0.217CC..SBendtrans-83.254.4-179.435.7-36.2000111K155 F158 V159 W416 V426 G427K155-P414 HydrophobicContact CG-CB 4.4Å; F158-P414 HydrophobicContact CB-CG 3.9Å; F158-P414 HydrophobicContact CD1-CG 3.5Å; F158-P414 VanDerWaalsContact CD1-CG 3.5Å; F158-P414 HydrophobicContact CE1-CG 4.2Å; F158-P414 HydrophobicContact CG-CG 3.78Å; V159-P414 HydrophobicContact CG2-CG 4.41Å; P414-W416 HydrophobicContact CB-CH2 4.22Å; P414-W416 HydrophobicContact CB-CZ3 4.27Å; P414-W416 WeakPolarHBondContact O-CZ3 3.4Å; P414-V426 WeakPolarHBondContact O-CA 3.41Å; P414-G427 WeakPolarHBondContact CB-O 3.41Å; P414-G427 PolarHBondContact O-N 3.02Å
415A97.9Very high95.2Very high0 Ų046.3 Ų46.30%023%0.233CC..EExtended strand (participates in β ladder)trans-126.1144.8175.300000109.6W359 I413 Y425 V426 Q439 D440W359-A415 HydrophobicContact CH2-CB 4.02Å; W359-A415 HydrophobicContact CZ2-CB 3.51Å; I413-A415 HydrophobicContact CG2-CB 3.78Å; I413-A415 PolarHBondContact O-N 3.22Å; A415-Y425 CarbonylContact C-O 3.58Å; A415-Y425 VanDerWaalsContact CA-O 3.28Å; A415-Y425 WeakPolarHBondContact CA-O 3.38Å; A415-V426 HydrophobicContact CB-CG2 3.93Å; A415-Q439 CarbonylContact O-C 3.58Å; A415-Q439 WeakPolarHBondContact O-CA 3.17Å; A415-Q439 WeakPolarHBondContact O-CG 3.46Å; A415-D440 HydrophobicContact CB-CB 4.32Å; A415-D440 PolarHBondContact O-N 3.43Å
416W98Very high95.4Very high12 Ų1246.8 Ų46.85%0.04524%0.237CC..EExtended strand (participates in β ladder)trans-130.9141.5-179.7-65.8-101.4000110.1P414 I424 Y425 G427 A430 P431 W437 Q438 Q439P414-W416 HydrophobicContact CB-CH2 4.22Å; P414-W416 HydrophobicContact CB-CZ3 4.27Å; P414-W416 WeakPolarHBondContact O-CZ3 3.4Å; W416-I424 CarbonylContact O-C 3.47Å; W416-I424 WeakPolarHBondContact O-CA 3.46Å; W416-Y425 HydrophobicContact CB-CD1 4.42Å; W416-Y425 HydrophobicContact CD2-CD1 4.13Å; W416-Y425 AromaticContact CE3-CD1 3.46Å; W416-Y425 HydrophobicContact CE3-CD1 3.46Å; W416-Y425 VanDerWaalsContact CE3-CD1 3.46Å; W416-Y425 AromaticContact CE3-CE1 3.82Å; W416-Y425 HydrophobicContact CE3-CE1 3.82Å; W416-Y425 HydrophobicContact CZ3-CD1 4.04Å; W416-Y425 AromaticContact CZ3-CE1 3.93Å; W416-Y425 HydrophobicContact CZ3-CE1 3.93Å; W416-Y425 PolarHBondContact N-O 2.99Å; W416-Y425 PolarHBondContact O-N 3.16Å; W416-G427 WeakPolarHBondContact CH2-O 3.34Å; W416-G427 WeakPolarHBondContact CZ3-O 3.33Å; W416-A430 HydrophobicContact CH2-CB 4.4Å; W416-A430 HydrophobicContact CZ2-CB 3.61Å; W416-P431 HydrophobicContact CB-CG 4.07Å; W416-P431 HydrophobicContact CD2-CG 4.28Å; W416-P431 HydrophobicContact CG-CG 3.97Å; W416-W437 HydrophobicContact CB-CB 4.18Å; W416-W437 HydrophobicContact CB-CD2 4.37Å; W416-W437 HydrophobicContact CB-CE3 3.72Å; W416-Q438 CarbonylContact C-O 3.1Å; W416-Q438 WeakPolarHBondContact CA-O 3.47Å; W416-Q439 VanDerWaalsContact CD1-CA 3.49Å; W416-Q439 HydrophobicContact CD2-CG 4.31Å; W416-Q439 HydrophobicContact CG-CB 4.34Å; W416-Q439 HydrophobicContact CG-CG 4.42Å; W416-Q439 HydrophobicContact CZ2-CG 4.25Å
417Y96.8Very high95.7Very high38 Ų3845.5 Ų45.515%0.14923%0.232CC..EExtended strand (participates in β ladder)trans-108.5125.5177-54.8-65.9000109.8R169 K419 E423 I424 W437 Q438 D440R169-Y417 VanDerWaalsContact CZ-CZ 3.42Å; R169-Y417 PolarHBondContact NE-OH 2.83Å; R169-Y417 PolarHBondContact NH1-OH 2.99Å; R169-Y417 PolarHBondContact NH2-OH 3.23Å; Y417-K419 PolarHBondContact O-N 2.81Å; Y417-E423 WeakPolarHBondContact CA-O 3.49Å; Y417-I424 HydrophobicContact CD1-CB 4.47Å; Y417-I424 HydrophobicContact CD1-CD1 4.5Å; Y417-I424 HydrophobicContact CD1-CG1 3.86Å; Y417-I424 HydrophobicContact CD1-CG2 4.39Å; Y417-I424 HydrophobicContact CE1-CB 4.38Å; Y417-I424 HydrophobicContact CE1-CD1 3.95Å; Y417-I424 HydrophobicContact CE1-CG1 3.76Å; Y417-I424 HydrophobicContact CE1-CG2 3.97Å; Y417-W437 WeakPolarHBondContact O-CA 3.49Å; Y417-Q438 PolarHBondContact N-O 2.85Å; Y417-Q438 PolarHBondContact O-N 3.4Å; Y417-D440 HydrophobicContact CE2-CB 3.75Å; Y417-D440 PolarHBondContact OH-OD2 2.99Å
418H97.2Very high95.9Very high31 Ų3148.8 Ų48.814%0.14425%0.247CC..EExtended strand (participates in β ladder)trans-68.6125.8174-173.2-70.1000109.2E420 T421 G422 E423 W437H418-E420 VanDerWaalsContact C-N 3.25Å; H418-E420 PolarHBondContact ND1-N 2.71Å; H418-E420 VanDerWaalsContact ND1-N 3.15Å; H418-E420 PolarHBondContact O-N 2.73Å; H418-E420 VanDerWaalsContact O-N 3.16Å; H418-T421 VanDerWaalsContact CB-OG1 3.31Å; H418-T421 WeakPolarHBondContact CB-OG1 3.42Å; H418-T421 PolarHBondContact ND1-N 3.43Å; H418-T421 PolarHBondContact ND1-OG1 3.43Å; H418-G422 WeakPolarHBondContact O-CA 3.49Å; H418-G422 PolarHBondContact O-N 2.65Å; H418-E423 HydrophobicContact CB-CB 4.13Å; H418-E423 PolarHBondContact N-O 2.8Å; H418-W437 HydrophobicContact CB-CD2 4.21Å; H418-W437 HydrophobicContact CB-CE3 3.92Å; H418-W437 HydrophobicContact CB-CH2 3.88Å; H418-W437 HydrophobicContact CB-CZ2 4.18Å; H418-W437 HydrophobicContact CB-CZ3 3.75Å; H418-W437 AromaticContact CD2-CE2 3.87Å; H418-W437 AromaticContact CD2-CZ2 3.86Å; H418-W437 VanDerWaalsContact N-CE3 3.26Å
419K95.1Very high96Very high128 Ų12854.5 Ų54.556%0.55728%0.275SS*.THydrogen-bonded Turntrans-59.3-32.3-170.5-69.4173.1-174.7176.50113.7Y417 E435 N436 W437Y417-K419 PolarHBondContact O-N 2.81Å; K419-E435 WeakPolarHBondContact CE-O 3.39Å; K419-E435 PolarHBondContact NZ-O 3.45Å; K419-N436 WeakPolarHBondContact CB-O 3.33Å; K419-N436 VanDerWaalsContact CG-O 3.32Å; K419-N436 WeakPolarHBondContact CG-O 3.36Å; K419-N436 PolarHBondContact N-O 3.48Å; K419-W437 VanDerWaalsContact CE-O 3.24Å; K419-W437 WeakPolarHBondContact CE-O 3.46Å
420E94Very high96Very high176 Ų17656.8 Ų56.882%0.82230%0.295SS*.THydrogen-bonded Turntrans-95-48179.8-55.4-173.6164.600114.7H418H418-E420 VanDerWaalsContact C-N 3.25Å; H418-E420 PolarHBondContact ND1-N 2.71Å; H418-E420 VanDerWaalsContact ND1-N 3.15Å; H418-E420 PolarHBondContact O-N 2.73Å; H418-E420 VanDerWaalsContact O-N 3.16Å
421T95.1Very high95.9Very high95 Ų9556.8 Ų56.858%0.58329%0.292SS*.THydrogen-bonded Turntrans-88.9-19.7-172.162.80000113.6H418 E423H418-T421 VanDerWaalsContact CB-OG1 3.31Å; H418-T421 WeakPolarHBondContact CB-OG1 3.42Å; H418-T421 PolarHBondContact ND1-N 3.43Å; H418-T421 PolarHBondContact ND1-OG1 3.43Å; T421-E423 PolarHBondContact O-N 2.86Å; T421-E423 WeakPolarHBondContact OG1-CB 3.47Å; T421-E423 PolarHBondContact OG1-N 3.08Å
422G91.1Very high95.7Very high51 Ų5163.3 Ų63.353%0.52633%0.333SS..  trans71.48.6-171.100000114.2H418H418-G422 WeakPolarHBondContact O-CA 3.49Å; H418-G422 PolarHBondContact O-N 2.65Å
423E95Very high95.7Very high120 Ų12063.5 Ų63.556%0.56134%0.336SS*.  trans-57.2139.9174.6-177.1176.6-178.600110.8Y417 H418 T421 W437Y417-E423 WeakPolarHBondContact CA-O 3.49Å; H418-E423 HydrophobicContact CB-CB 4.13Å; H418-E423 PolarHBondContact N-O 2.8Å; T421-E423 PolarHBondContact O-N 2.86Å; T421-E423 WeakPolarHBondContact OG1-CB 3.47Å; T421-E423 PolarHBondContact OG1-N 3.08Å; E423-W437 HydrophobicContact CB-CH2 4.37Å; E423-W437 HydrophobicContact CG-CH2 4.22Å; E423-W437 WeakPolarHBondContact O-CZ3 3.5Å
424I95.5Very high95.5Very high57 Ų5767.2 Ų67.229%0.29236%0.355SS..EExtended strand (participates in β ladder)trans-101.5120.2178.7-48.7-177.5000108.9W359 W416 Y417 V426W359-I424 HydrophobicContact CH2-CG2 4.25Å; W359-I424 HydrophobicContact CZ2-CG2 4.48Å; W416-I424 CarbonylContact O-C 3.47Å; W416-I424 WeakPolarHBondContact O-CA 3.46Å; Y417-I424 HydrophobicContact CD1-CB 4.47Å; Y417-I424 HydrophobicContact CD1-CD1 4.5Å; Y417-I424 HydrophobicContact CD1-CG1 3.86Å; Y417-I424 HydrophobicContact CD1-CG2 4.39Å; Y417-I424 HydrophobicContact CE1-CB 4.38Å; Y417-I424 HydrophobicContact CE1-CD1 3.95Å; Y417-I424 HydrophobicContact CE1-CG1 3.76Å; Y417-I424 HydrophobicContact CE1-CG2 3.97Å; I424-V426 HydrophobicContact CG2-CG2 4.08Å
425Y97Very high95.4Very high87 Ų8774.4 Ų74.434%0.34139%0.389SS..EExtended strand (participates in β ladder)trans-104.7133.3167.5171.9-98000109.6A415 W416 E429 P431 W437A415-Y425 CarbonylContact C-O 3.58Å; A415-Y425 VanDerWaalsContact CA-O 3.28Å; A415-Y425 WeakPolarHBondContact CA-O 3.38Å; W416-Y425 HydrophobicContact CB-CD1 4.42Å; W416-Y425 HydrophobicContact CD2-CD1 4.13Å; W416-Y425 AromaticContact CE3-CD1 3.46Å; W416-Y425 HydrophobicContact CE3-CD1 3.46Å; W416-Y425 VanDerWaalsContact CE3-CD1 3.46Å; W416-Y425 AromaticContact CE3-CE1 3.82Å; W416-Y425 HydrophobicContact CE3-CE1 3.82Å; W416-Y425 HydrophobicContact CZ3-CD1 4.04Å; W416-Y425 AromaticContact CZ3-CE1 3.93Å; W416-Y425 HydrophobicContact CZ3-CE1 3.93Å; W416-Y425 PolarHBondContact N-O 2.99Å; W416-Y425 PolarHBondContact O-N 3.16Å; Y425-E429 WeakPolarHBondContact CE1-O 3.35Å; Y425-E429 PolarHBondContact OH-O 3.2Å; Y425-P431 HydrophobicContact CD1-CG 3.42Å; Y425-P431 VanDerWaalsContact CD1-CG 3.42Å; Y425-P431 HydrophobicContact CE1-CG 3.82Å; Y425-P431 HydrophobicContact CG-CG 4.06Å; Y425-W437 VanDerWaalsContact CB-CZ3 3.44Å
426V97.7Very high95.3Very high15 Ų1577.9 Ų77.99%0.09141%0.407CS..EExtended strand (participates in β ladder)trans-125.9126.8175.6176.10000108.1F158 V159 Y162 W359 P414 A415 I424F158-V426 HydrophobicContact CD1-CG1 3.84Å; F158-V426 HydrophobicContact CE1-CG1 3.72Å; F158-V426 HydrophobicContact CE1-CG2 4.48Å; V159-V426 HydrophobicContact CG2-CG1 4.05Å; Y162-V426 HydrophobicContact CD1-CB 3.51Å; Y162-V426 HydrophobicContact CD1-CG1 3.66Å; Y162-V426 HydrophobicContact CD1-CG2 3.77Å; Y162-V426 HydrophobicContact CD2-CG2 4.1Å; Y162-V426 HydrophobicContact CE1-CB 3.59Å; Y162-V426 HydrophobicContact CE1-CG1 4.27Å; Y162-V426 HydrophobicContact CE1-CG2 3.58Å; Y162-V426 HydrophobicContact CE2-CG2 3.92Å; Y162-V426 HydrophobicContact CG-CB 4.07Å; Y162-V426 HydrophobicContact CG-CG1 3.87Å; Y162-V426 HydrophobicContact CG-CG2 4.01Å; W359-V426 HydrophobicContact CH2-CG2 3.97Å; P414-V426 WeakPolarHBondContact O-CA 3.41Å; A415-V426 HydrophobicContact CB-CG2 3.93Å; I424-V426 HydrophobicContact CG2-CG2 4.08Å
427G96.7Very high95.2Very high5 Ų578.5 Ų78.55%0.05241%0.409CS..  trans-166.6153.9-172.900000113.7P414 W416 E429P414-G427 WeakPolarHBondContact CB-O 3.41Å; P414-G427 PolarHBondContact O-N 3.02Å; W416-G427 WeakPolarHBondContact CH2-O 3.34Å; W416-G427 WeakPolarHBondContact CZ3-O 3.33Å; G427-E429 PolarHBondContact O-N 3.4Å
428E95.5Very high95.2Very high77 Ų7781.4 Ų81.436%0.3642%0.424SS..SBendtrans-69.5-26.8175.4-65.4-174.5-143.800111.8V159V159-E428 HydrophobicContact CB-CG 4.3Å; V159-E428 HydrophobicContact CG2-CG 3.95Å
429E94.6Very high95.1Very high159 Ų15982.6 Ų82.674%0.74343%0.43SS*.SBendtrans-109.5149.9174-62.2-174.2173.400110.3Y425 G427Y425-E429 WeakPolarHBondContact CE1-O 3.35Å; Y425-E429 PolarHBondContact OH-O 3.2Å; G427-E429 PolarHBondContact O-N 3.4Å
430A94.5Very high95.1Very high51 Ų5177 Ų7742%0.42141%0.406SS..  trans-71.6154.9176.700000111.8W416 I434W416-A430 HydrophobicContact CH2-CB 4.4Å; W416-A430 HydrophobicContact CZ2-CB 3.61Å; A430-I434 HydrophobicContact CB-CD1 4.25Å
431P94.6Very high95.1Very high14 Ų1473.8 Ų73.89%0.09139%0.391CS..  trans-51.7142.7170-25.532.9000112.5W416 Y425 D433 I434 W437W416-P431 HydrophobicContact CB-CG 4.07Å; W416-P431 HydrophobicContact CD2-CG 4.28Å; W416-P431 HydrophobicContact CG-CG 3.97Å; Y425-P431 HydrophobicContact CD1-CG 3.42Å; Y425-P431 VanDerWaalsContact CD1-CG 3.42Å; Y425-P431 HydrophobicContact CE1-CG 3.82Å; Y425-P431 HydrophobicContact CG-CG 4.06Å; P431-D433 PolarHBondContact O-N 2.76Å; P431-I434 PolarHBondContact O-N 2.76Å; P431-W437 HydrophobicContact CB-CD2 4.15Å; P431-W437 HydrophobicContact CB-CG 3.86Å; P431-W437 HydrophobicContact CG-CB 4.19Å; P431-W437 HydrophobicContact CG-CD2 3.79Å; P431-W437 HydrophobicContact CG-CE3 4.28Å; P431-W437 HydrophobicContact CG-CG 3.73Å
432T93Very high95.1Very high150 Ų15070.6 Ų70.692%0.9237%0.371SS*.THydrogen-bonded Turntrans-66.9-25.1-178.351.10000113.1
433D94.7Very high95.4Very high66 Ų6668.1 Ų68.135%0.35335%0.346SS..THydrogen-bonded Turntrans-105.646.9177.468.5-40.6000112.1P431 E435 N436 W437P431-D433 PolarHBondContact O-N 2.76Å; D433-E435 PolarHBondContact O-N 3.23Å; D433-N436 PolarHBondContact O-N 2.93Å; D433-N436 PolarHBondContact OD2-ND2 3.33Å; D433-W437 PolarHBondContact OD1-NE1 3.05Å
434I93.7Very high95.4Very high77 Ų7762.6 Ų62.640%0.39532%0.32SS..G310 helixtrans-46.5-25.7-173.6-166.157.3000115.6A430 P431 N436 W437A430-I434 HydrophobicContact CB-CD1 4.25Å; P431-I434 PolarHBondContact O-N 2.76Å; I434-N436 PolarHBondContact O-N 2.87Å; I434-W437 HydrophobicContact CD1-CB 4.29Å; I434-W437 PolarHBondContact O-N 3.21Å
435E94.8Very high95.3Very high154 Ų15460 Ų6072%0.7231%0.306SS*.G310 helixtrans-58.6-27174.2-53.4-68.4179.900113.1K419 D433K419-E435 WeakPolarHBondContact CE-O 3.39Å; K419-E435 PolarHBondContact NZ-O 3.45Å; D433-E435 PolarHBondContact O-N 3.23Å
436N96.4Very high95.1Very high72 Ų7256.5 Ų56.539%0.38529%0.294SS..G310 helixtrans-91.2-5.8177.7-64-34.8000113.4K419 D433 I434K419-N436 WeakPolarHBondContact CB-O 3.33Å; K419-N436 VanDerWaalsContact CG-O 3.32Å; K419-N436 WeakPolarHBondContact CG-O 3.36Å; K419-N436 PolarHBondContact N-O 3.48Å; D433-N436 PolarHBondContact O-N 2.93Å; D433-N436 PolarHBondContact OD2-ND2 3.33Å; I434-N436 PolarHBondContact O-N 2.87Å
437W97Very high94.9Very high25 Ų2557.7 Ų57.710%0.09530%0.297CS..EExtended strand (participates in β ladder)trans-119.9149.3-172.8-64.586.9000110.8W416 Y417 H418 K419 E423 Y425 P431 D433 I434W416-W437 HydrophobicContact CB-CB 4.18Å; W416-W437 HydrophobicContact CB-CD2 4.37Å; W416-W437 HydrophobicContact CB-CE3 3.72Å; Y417-W437 WeakPolarHBondContact O-CA 3.49Å; H418-W437 HydrophobicContact CB-CD2 4.21Å; H418-W437 HydrophobicContact CB-CE3 3.92Å; H418-W437 HydrophobicContact CB-CH2 3.88Å; H418-W437 HydrophobicContact CB-CZ2 4.18Å; H418-W437 HydrophobicContact CB-CZ3 3.75Å; H418-W437 AromaticContact CD2-CE2 3.87Å; H418-W437 AromaticContact CD2-CZ2 3.86Å; H418-W437 VanDerWaalsContact N-CE3 3.26Å; K419-W437 VanDerWaalsContact CE-O 3.24Å; K419-W437 WeakPolarHBondContact CE-O 3.46Å; E423-W437 HydrophobicContact CB-CH2 4.37Å; E423-W437 HydrophobicContact CG-CH2 4.22Å; E423-W437 WeakPolarHBondContact O-CZ3 3.5Å; Y425-W437 VanDerWaalsContact CB-CZ3 3.44Å; P431-W437 HydrophobicContact CB-CD2 4.15Å; P431-W437 HydrophobicContact CB-CG 3.86Å; P431-W437 HydrophobicContact CG-CB 4.19Å; P431-W437 HydrophobicContact CG-CD2 3.79Å; P431-W437 HydrophobicContact CG-CE3 4.28Å; P431-W437 HydrophobicContact CG-CG 3.73Å; D433-W437 PolarHBondContact OD1-NE1 3.05Å; I434-W437 HydrophobicContact CD1-CB 4.29Å; I434-W437 PolarHBondContact O-N 3.21Å
438Q95.2Very high94.8Very high99 Ų9957.5 Ų57.546%0.46330%0.295SS..EExtended strand (participates in β ladder)trans-121122.2169-178.1173.9300107.6W416 Y417 E441W416-Q438 CarbonylContact C-O 3.1Å; W416-Q438 WeakPolarHBondContact CA-O 3.47Å; Y417-Q438 PolarHBondContact N-O 2.85Å; Y417-Q438 PolarHBondContact O-N 3.4Å; Q438-E441 PolarHBondContact NE2-OE1 2.89Å; Q438-E441 VanDerWaalsContact NE2-OE1 3.08Å
439Q96.3Very high94.8Very high56 Ų5654 Ų5426%0.26228%0.279SS..EExtended strand (participates in β ladder)trans-65.3143.7173.6-165.5176-6.700109.5Q412 I413 A415 W416 E441Q412-Q439 VanDerWaalsContact CD-CD 3.47Å; Q412-Q439 HydrophobicContact CG-CG 4.43Å; I413-Q439 PolarHBondContact O-NE2 3.43Å; A415-Q439 CarbonylContact O-C 3.58Å; A415-Q439 WeakPolarHBondContact O-CA 3.17Å; A415-Q439 WeakPolarHBondContact O-CG 3.46Å; W416-Q439 VanDerWaalsContact CD1-CA 3.49Å; W416-Q439 HydrophobicContact CD2-CG 4.31Å; W416-Q439 HydrophobicContact CG-CB 4.34Å; W416-Q439 HydrophobicContact CG-CG 4.42Å; W416-Q439 HydrophobicContact CZ2-CG 4.25Å; Q439-E441 PolarHBondContact O-N 3.43Å
440D95.6Very high94.8Very high11 Ų1146.4 Ų46.46%0.05924%0.243CC..  trans-52.1126.9169.4-163.4-23.6000109.5W359 Q412 I413 A415 Y417 D442W359-D440 PolarHBondContact NE1-OD2 2.89Å; Q412-D440 VanDerWaalsContact CG-O 3.3Å; Q412-D440 WeakPolarHBondContact CG-O 3.49Å; Q412-D440 PolarHBondContact NE2-O 3.15Å; I413-D440 HydrophobicContact CB-CB 4.08Å; I413-D440 HydrophobicContact CG2-CB 4.17Å; A415-D440 HydrophobicContact CB-CB 4.32Å; A415-D440 PolarHBondContact O-N 3.43Å; Y417-D440 HydrophobicContact CE2-CB 3.75Å; Y417-D440 PolarHBondContact OH-OD2 2.99Å; D440-D442 VanDerWaalsContact C-N 3.28Å; D440-D442 WeakPolarHBondContact OD1-CB 3.34Å; D440-D442 PolarHBondContact OD1-N 2.87Å
441E93.7Very high94.9Very high109 Ų10944 Ų4451%0.50922%0.223SC..  trans-78.5-21.1-176.3-67.1-169.8179.500111.8R108 Q438 Q439R108-E441 PolarHBondContact NH1-O 3.36Å; R108-E441 PolarHBondContact NH2-O 2.88Å; Q438-E441 PolarHBondContact NE2-OE1 2.89Å; Q438-E441 VanDerWaalsContact NE2-OE1 3.08Å; Q439-E441 PolarHBondContact O-N 3.43Å
442D95.1Very high95Very high27 Ų2743.3 Ų43.314%0.14422%0.219CC..  trans-63.5154.7178.3-75.5-8000111.6Q406 I413 D440Q406-D442 WeakPolarHBondContact CG-OD1 3.35Å; Q406-D442 PolarHBondContact NE2-OD1 3.48Å; Q406-D442 PolarHBondContact NE2-OD2 2.82Å; I413-D442 HydrophobicContact CD1-CB 3.74Å; I413-D442 HydrophobicContact CG1-CB 4.43Å; I413-D442 PolarHBondContact N-O 3.48Å; D440-D442 VanDerWaalsContact C-N 3.28Å; D440-D442 WeakPolarHBondContact OD1-CB 3.34Å; D440-D442 PolarHBondContact OD1-N 2.87Å
443V96Very high95.3Very high0 Ų036.1 Ų36.10%018%0.175CC..EExtended strand (participates in β ladder)trans-111.2161.8170-58.20000110.4S404 R405 L407 H411S404-V443 CarbonylContact C-O 3.54Å; R405-V443 HydrophobicContact CB-CG2 4.11Å; R405-V443 PolarHBondContact N-O 3.44Å; R405-V443 PolarHBondContact O-N 2.78Å; L407-V443 HydrophobicContact CB-CG2 3.63Å; L407-V443 HydrophobicContact CD1-CG2 4.49Å; L407-V443 WeakPolarHBondContact O-CG1 3.18Å; H411-V443 CarbonylContact O-C 3.6Å; H411-V443 WeakPolarHBondContact O-CA 3.22Å; H411-V443 WeakPolarHBondContact O-CB 3.26Å
444L96.1Very high95.4Very high3 Ų333 Ų332%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-76146.7174.5-66165.1000111.1V154 F158 I403 H411 I413 T446 F448V154-L444 HydrophobicContact CG1-CD1 3.45Å; V154-L444 VanDerWaalsContact CG1-CD1 3.45Å; F158-L444 HydrophobicContact CD2-CD1 4.22Å; F158-L444 HydrophobicContact CD2-CD2 3.67Å; F158-L444 HydrophobicContact CE2-CD2 3.82Å; I403-L444 HydrophobicContact CB-CD2 4.38Å; I403-L444 HydrophobicContact CD1-CD2 4.02Å; I403-L444 HydrophobicContact CG1-CD2 4.46Å; I403-L444 CarbonylContact O-C 3.51Å; I403-L444 VanDerWaalsContact O-CA 3.31Å; I403-L444 WeakPolarHBondContact O-CA 3.3Å; H411-L444 HydrophobicContact CB-CB 4.31Å; H411-L444 HydrophobicContact CB-CD1 4.09Å; H411-L444 PolarHBondContact O-N 2.75Å; I413-L444 HydrophobicContact CD1-CD2 4.3Å; I413-L444 HydrophobicContact CG1-CD2 3.86Å; I413-L444 HydrophobicContact CG1-CG 3.93Å; L444-T446 PolarHBondContact O-N 3.24Å; L444-F448 HydrophobicContact CB-CB 4.3Å; L444-F448 HydrophobicContact CB-CD1 4.31Å; L444-F448 HydrophobicContact CD1-CD1 3.72Å; L444-F448 HydrophobicContact CD1-CE1 3.83Å; L444-F448 HydrophobicContact CD2-CD1 4.28Å; L444-F448 HydrophobicContact CD2-CE1 4.45Å; L444-F448 HydrophobicContact CD2-CG 4.46Å; L444-F448 HydrophobicContact CG-CD1 4.32Å
445D93Very high95.5Very high3 Ų329.3 Ų29.32%0.01614%0.139CC..  trans-46.3132.8165.6-175.8-7.2000109.4W401 I403 R405 W447 F448 R490W401-D445 HydrophobicContact CZ2-CB 4.24Å; W401-D445 PolarHBondContact NE1-OD2 2.93Å; I403-D445 PolarHBondContact O-N 2.97Å; R405-D445 HydrophobicContact CG-CB 4.44Å; R405-D445 IonicContact CZ-OD2 3.11Å; R405-D445 VanDerWaalsContact NH2-CG 3.27Å; R405-D445 IonicContact NH2-OD1 2.71Å; R405-D445 IonicContact NH2-OD2 2.97Å; R405-D445 PolarHBondContact NH2-OD2 3.21Å; D445-W447 PolarHBondContact O-N 2.59Å; D445-W447 VanDerWaalsContact O-N 3.16Å; D445-W447 PolarHBondContact OD1-N 3.25Å; D445-F448 HydrophobicContact CB-CB 4.4Å; D445-F448 WeakPolarHBondContact O-CA 3.29Å; D445-F448 WeakPolarHBondContact O-CB 3.36Å; D445-F448 PolarHBondContact O-N 3.34Å; D445-R490 IonicContact OD2-NH2 2.68Å
446T93.2Very high95.6Very high14 Ų1422 Ų229%0.08611%0.105CC..Hα-helixtrans-50.1-43.3176.3-64.90000111D82 H83 G85 L444 F448 S449 S450D82-T446 WeakPolarHBondContact OD1-CG2 3.36Å; D82-T446 WeakPolarHBondContact OD2-CG2 3.44Å; H83-T446 PolarHBondContact NE2-OG1 2.9Å; G85-T446 VanDerWaalsContact CA-OG1 3.26Å; G85-T446 WeakPolarHBondContact CA-OG1 3.46Å; G85-T446 PolarHBondContact N-OG1 3.05Å; L444-T446 PolarHBondContact O-N 3.24Å; T446-F448 PolarHBondContact O-N 2.91Å; T446-F448 VanDerWaalsContact O-N 3.16Å; T446-S449 PolarHBondContact O-N 3.37Å; T446-S449 PolarHBondContact O-OG 3.1Å; T446-S450 PolarHBondContact O-N 3.49Å; T446-S450 PolarHBondContact O-OG 3.35Å
447W93.3Very high95.6Very high40 Ų4018.6 Ų18.615%0.1529%0.087CC..Hα-helixtrans-65.1-20.1-179.5-57.8113.6000113.8W401 D445 A451 I483 F486 W487W401-W447 HydrophobicContact CZ2-CB 3.97Å; D445-W447 PolarHBondContact O-N 2.59Å; D445-W447 VanDerWaalsContact O-N 3.16Å; D445-W447 PolarHBondContact OD1-N 3.25Å; W447-A451 WeakPolarHBondContact O-CB 3.38Å; W447-A451 PolarHBondContact O-N 3.19Å; W447-I483 HydrophobicContact CH2-CG2 4.19Å; W447-F486 HydrophobicContact CD2-CB 4.02Å; W447-F486 HydrophobicContact CD2-CD1 4.47Å; W447-F486 AromaticContact CE2-CD1 3.75Å; W447-F486 HydrophobicContact CE3-CB 4.04Å; W447-F486 HydrophobicContact CH2-CB 3.68Å; W447-F486 HydrophobicContact CH2-CG 4.3Å; W447-F486 HydrophobicContact CZ2-CB 3.64Å; W447-F486 AromaticContact CZ2-CD1 3.92Å; W447-F486 HydrophobicContact CZ2-CD1 3.92Å; W447-F486 AromaticContact CZ2-CG 3.85Å; W447-F486 HydrophobicContact CZ2-CG 3.85Å; W447-F486 HydrophobicContact CZ3-CB 3.89Å; W447-F486 AromaticContact NE1-CD1 3.68Å; W447-W487 HydrophobicContact CE3-CB 4.14Å; W447-W487 HydrophobicContact CE3-CG 4.39Å; W447-W487 HydrophobicContact CZ3-CB 3.77Å; W447-W487 HydrophobicContact CZ3-CG 4.07Å
448F95.6Very high95.6Very high0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-65.8-40.1172.2-168.8-91.9000111.8V154 V157 F158 I167 V361 W401 I403 L444 D445 T446V154-F448 HydrophobicContact CG1-CD1 3.98Å; V154-F448 HydrophobicContact CG1-CE1 4.07Å; V157-F448 HydrophobicContact CB-CE1 4.48Å; V157-F448 HydrophobicContact CG1-CE1 3.9Å; V157-F448 HydrophobicContact CG1-CE2 4.44Å; V157-F448 HydrophobicContact CG1-CZ 3.64Å; F158-F448 HydrophobicContact CB-CE1 4.33Å; F158-F448 HydrophobicContact CB-CZ 4.3Å; F158-F448 HydrophobicContact CD2-CZ 4.32Å; I167-F448 HydrophobicContact CD1-CE2 4.05Å; I167-F448 HydrophobicContact CD1-CZ 3.93Å; V361-F448 HydrophobicContact CG2-CE2 4.13Å; W401-F448 VanDerWaalsContact CH2-CA 3.42Å; W401-F448 HydrophobicContact CH2-CB 3.88Å; W401-F448 AromaticContact CH2-CD2 3.89Å; W401-F448 HydrophobicContact CH2-CD2 3.89Å; W401-F448 HydrophobicContact CH2-CG 4.33Å; W401-F448 HydrophobicContact CZ2-CB 4Å; W401-F448 HydrophobicContact CZ2-CD2 4.42Å; W401-F448 AromaticContact CZ3-CD2 3.95Å; W401-F448 HydrophobicContact CZ3-CD2 3.95Å; I403-F448 HydrophobicContact CB-CD2 4.24Å; I403-F448 HydrophobicContact CD1-CD2 4.4Å; I403-F448 HydrophobicContact CD1-CE2 4.06Å; I403-F448 HydrophobicContact CG2-CD2 3.71Å; I403-F448 HydrophobicContact CG2-CE2 4.25Å; L444-F448 HydrophobicContact CB-CB 4.3Å; L444-F448 HydrophobicContact CB-CD1 4.31Å; L444-F448 HydrophobicContact CD1-CD1 3.72Å; L444-F448 HydrophobicContact CD1-CE1 3.83Å; L444-F448 HydrophobicContact CD2-CD1 4.28Å; L444-F448 HydrophobicContact CD2-CE1 4.45Å; L444-F448 HydrophobicContact CD2-CG 4.46Å; L444-F448 HydrophobicContact CG-CD1 4.32Å; D445-F448 HydrophobicContact CB-CB 4.4Å; D445-F448 WeakPolarHBondContact O-CA 3.29Å; D445-F448 WeakPolarHBondContact O-CB 3.36Å; D445-F448 PolarHBondContact O-N 3.34Å; T446-F448 PolarHBondContact O-N 2.91Å; T446-F448 VanDerWaalsContact O-N 3.16Å
449S94.8Very high95.7Very high3 Ų313.6 Ų13.62%0.0217%0.07CC..Hα-helixtrans-78.2-43.2174.358.30000113H83 H411 T446 A451 L452H83-S449 PolarHBondContact CE1-OG 3.4Å; H411-S449 WeakPolarHBondContact CE1-CB 3.45Å; H411-S449 WeakPolarHBondContact ND1-CB 3.43Å; T446-S449 PolarHBondContact O-N 3.37Å; T446-S449 PolarHBondContact O-OG 3.1Å; S449-A451 PolarHBondContact O-N 3.41Å; S449-L452 WeakPolarHBondContact O-CB 3.47Å; S449-L452 PolarHBondContact O-N 3.35Å
450S94.8Very high95.7Very high0 Ų011.3 Ų11.30%06%0.058CC..Hα-helixtrans-67.3-21.7-177.3-42.20000111.8D82 T446 L452 W453 W487D82-S450 PolarHBondContact OD2-OG 3.37Å; T446-S450 PolarHBondContact O-N 3.49Å; T446-S450 PolarHBondContact O-OG 3.35Å; S450-L452 PolarHBondContact O-N 3.14Å; S450-W453 WeakPolarHBondContact O-CB 3.34Å; S450-W453 PolarHBondContact O-N 3.31Å; S450-W487 PolarHBondContact O-NE1 3.26Å
451A96.4Very high95.7Very high0 Ų012.1 Ų12.10%06%0.064CC..THydrogen-bonded Turntrans-65.8-19.2172.600000114.4W447 S449 W453 R490 M491 Q494W447-A451 WeakPolarHBondContact O-CB 3.38Å; W447-A451 PolarHBondContact O-N 3.19Å; S449-A451 PolarHBondContact O-N 3.41Å; A451-W453 VanDerWaalsContact C-N 3.32Å; A451-R490 HydrophobicContact CB-CB 3.72Å; A451-M491 WeakPolarHBondContact O-CA 3.29Å; A451-M491 WeakPolarHBondContact O-CG 3.33Å; A451-Q494 HydrophobicContact CB-CG 4.11Å
452L97.4Very high95.8Very high0 Ų011.2 Ų11.20%06%0.063CC..THydrogen-bonded Turntrans-87.5-2.9177.7-56.2175.9000113.1A153 V154 V157 S449 S450 P454 F455 S456 Q494A153-L452 HydrophobicContact CB-CD1 4.15Å; V154-L452 HydrophobicContact CB-CD1 4.37Å; V154-L452 HydrophobicContact CG2-CD1 3.68Å; V157-L452 HydrophobicContact CB-CD1 4.33Å; V157-L452 HydrophobicContact CB-CD2 4.48Å; V157-L452 HydrophobicContact CG1-CD2 4.38Å; V157-L452 HydrophobicContact CG2-CD1 3.79Å; V157-L452 HydrophobicContact CG2-CD2 3.58Å; V157-L452 HydrophobicContact CG2-CG 4.35Å; S449-L452 WeakPolarHBondContact O-CB 3.47Å; S449-L452 PolarHBondContact O-N 3.35Å; S450-L452 PolarHBondContact O-N 3.14Å; L452-P454 VanDerWaalsContact C-CD 3.4Å; L452-F455 HydrophobicContact CB-CE2 4.2Å; L452-F455 HydrophobicContact CB-CZ 4.15Å; L452-F455 HydrophobicContact CD2-CE1 4.44Å; L452-F455 HydrophobicContact CD2-CE2 3.67Å; L452-F455 HydrophobicContact CD2-CZ 3.38Å; L452-F455 HydrophobicContact CG-CZ 4.4Å; L452-F455 PolarHBondContact O-N 3.18Å; L452-S456 VanDerWaalsContact O-CB 3.24Å; L452-S456 WeakPolarHBondContact O-CB 3.22Å; L452-S456 PolarHBondContact O-N 3.09Å; L452-S456 PolarHBondContact O-OG 3.26Å; L452-Q494 HydrophobicContact CD2-CB 4.35Å
453W97.7Very high95.7Very high0 Ų014.9 Ų14.90%08%0.082CC..Hα-helixtrans-53.5-41.4-167.3-162.2-112.7000115.6I41 P43 R143 T145 L150 S450 A451 F455 T457 W487 M491I41-W453 PolarHBondContact O-NE1 3.35Å; P43-W453 HydrophobicContact CB-CD2 4.43Å; P43-W453 HydrophobicContact CB-CH2 3.83Å; P43-W453 HydrophobicContact CB-CZ2 3.6Å; P43-W453 HydrophobicContact CB-CZ3 4.33Å; P43-W453 HydrophobicContact CG-CD2 3.89Å; P43-W453 HydrophobicContact CG-CE3 4.19Å; P43-W453 HydrophobicContact CG-CG 4.38Å; P43-W453 HydrophobicContact CG-CH2 4.27Å; P43-W453 HydrophobicContact CG-CZ2 3.98Å; P43-W453 HydrophobicContact CG-CZ3 4.35Å; R143-W453 HydrophobicContact CB-CH2 3.86Å; R143-W453 HydrophobicContact CB-CZ3 4.35Å; T145-W453 HydrophobicContact CG2-CE3 4.03Å; T145-W453 HydrophobicContact CG2-CZ3 3.62Å; L150-W453 HydrophobicContact CD2-CE3 3.69Å; L150-W453 HydrophobicContact CD2-CH2 4.43Å; L150-W453 HydrophobicContact CD2-CZ3 3.36Å; S450-W453 WeakPolarHBondContact O-CB 3.34Å; S450-W453 PolarHBondContact O-N 3.31Å; A451-W453 VanDerWaalsContact C-N 3.32Å; W453-F455 PolarHBondContact O-N 3.43Å; W453-F455 VanDerWaalsContact O-N 3.14Å; W453-T457 HydrophobicContact CD2-CG2 3.47Å; W453-T457 VanDerWaalsContact CD2-CG2 3.47Å; W453-T457 HydrophobicContact CE3-CG2 3.65Å; W453-T457 HydrophobicContact CG-CG2 4.04Å; W453-T457 HydrophobicContact CH2-CG2 3.98Å; W453-T457 HydrophobicContact CZ2-CG2 3.81Å; W453-T457 HydrophobicContact CZ3-CG2 3.92Å; W453-T457 WeakPolarHBondContact O-CB 3.22Å; W453-T457 WeakPolarHBondContact O-CG2 3.35Å; W453-T457 PolarHBondContact O-OG1 2.91Å; W453-W487 HydrophobicContact CB-CZ2 4.09Å; W453-W487 AromaticContact CD1-CZ2 3.74Å; W453-W487 HydrophobicContact CG-CZ2 4.06Å; W453-M491 HydrophobicContact CB-SD 4.33Å
454P97.2Very high95.7Very high0 Ų021.1 Ų21.10%011%0.111CC..Hα-helixtrans-65.2-20.9-175.1-23.836.1000115L452 L458 Y472 T474 M491 P503 F504L452-P454 VanDerWaalsContact C-CD 3.4Å; P454-L458 WeakPolarHBondContact O-CD1 3.39Å; P454-Y472 HydrophobicContact CB-CE2 4.32Å; P454-T474 HydrophobicContact CB-CG2 4.41Å; P454-M491 VanDerWaalsContact CD-SD 3.55Å; P454-M491 HydrophobicContact CG-CB 4.03Å; P454-M491 HydrophobicContact CG-CG 3.89Å; P454-M491 HydrophobicContact CG-SD 3.41Å; P454-M491 WeakPolarHBondContact CG-SD 3.48Å; P454-P503 HydrophobicContact CB-CB 3.85Å; P454-P503 HydrophobicContact CG-CB 3.84Å; P454-F504 HydrophobicContact CG-CD1 4.32Å; P454-F504 HydrophobicContact CG-CE1 4.28Å
455F96.4Very high95.7Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-126.3-33.9-175.352-88.7000113.7L452 W453 T457 L458 W460 F468 Y472 Q494 F498 T499L452-F455 HydrophobicContact CB-CE2 4.2Å; L452-F455 HydrophobicContact CB-CZ 4.15Å; L452-F455 HydrophobicContact CD2-CE1 4.44Å; L452-F455 HydrophobicContact CD2-CE2 3.67Å; L452-F455 HydrophobicContact CD2-CZ 3.38Å; L452-F455 HydrophobicContact CG-CZ 4.4Å; L452-F455 PolarHBondContact O-N 3.18Å; W453-F455 PolarHBondContact O-N 3.43Å; W453-F455 VanDerWaalsContact O-N 3.14Å; F455-T457 PolarHBondContact O-N 2.91Å; F455-L458 PolarHBondContact O-N 3.06Å; F455-W460 HydrophobicContact CB-CB 4.25Å; F455-W460 HydrophobicContact CD2-CB 3.85Å; F455-W460 AromaticContact CD2-CD2 3.52Å; F455-W460 HydrophobicContact CD2-CD2 3.52Å; F455-W460 AromaticContact CD2-CE3 3.72Å; F455-W460 HydrophobicContact CD2-CE3 3.72Å; F455-W460 AromaticContact CD2-CG 3.58Å; F455-W460 HydrophobicContact CD2-CG 3.58Å; F455-W460 AromaticContact CE2-CD2 3.71Å; F455-W460 HydrophobicContact CE2-CD2 3.71Å; F455-W460 AromaticContact CE2-CE3 3.61Å; F455-W460 HydrophobicContact CE2-CE3 3.61Å; F455-W460 HydrophobicContact CE2-CG 4.25Å; F455-W460 HydrophobicContact CE2-CH2 4.44Å; F455-W460 AromaticContact CE2-CZ3 3.99Å; F455-W460 HydrophobicContact CE2-CZ3 3.99Å; F455-W460 VanDerWaalsContact O-CB 3.24Å; F455-W460 WeakPolarHBondContact O-CB 3.29Å; F455-W460 PolarHBondContact O-N 3.35Å; F455-F468 HydrophobicContact CB-CD2 4.11Å; F455-F468 HydrophobicContact CB-CE2 3.75Å; F455-Y472 HydrophobicContact CB-CD2 3.83Å; F455-Y472 HydrophobicContact CB-CE2 3.82Å; F455-Y472 HydrophobicContact CB-CG 4.39Å; F455-Y472 HydrophobicContact CD1-CE2 4.17Å; F455-Y472 HydrophobicContact CG-CE2 4.45Å; F455-Q494 HydrophobicContact CZ-CB 4.48Å; F455-F498 HydrophobicContact CE2-CB 4.43Å; F455-F498 HydrophobicContact CZ-CB 4.44Å; F455-T499 HydrophobicContact CB-CG2 4.48Å; F455-T499 HydrophobicContact CD1-CG2 4.39Å; F455-T499 HydrophobicContact CD2-CG2 4.39Å; F455-T499 HydrophobicContact CG-CG2 4.19Å
456S96.9Very high95.8Very high1 Ų129 Ų291%0.00715%0.15CC..Hα-helixtrans-64.7-30.6175.563.10000112.4R143 L150 L452 L458 G459R143-S456 PolarHBondContact NH2-O 3.06Å; L150-S456 WeakPolarHBondContact CD1-O 3.27Å; L452-S456 VanDerWaalsContact O-CB 3.24Å; L452-S456 WeakPolarHBondContact O-CB 3.22Å; L452-S456 PolarHBondContact O-N 3.09Å; L452-S456 PolarHBondContact O-OG 3.26Å; S456-L458 PolarHBondContact O-N 3.22Å; S456-G459 PolarHBondContact O-N 2.87Å
457T96.7Very high95.9Very high0 Ų030 Ų300%016%0.155CC..THydrogen-bonded Turntrans-66.5-23173.855.40000113.1L78 R143 W453 F455L78-T457 HydrophobicContact CD2-CG2 3.85Å; R143-T457 HydrophobicContact CB-CG2 4.09Å; R143-T457 HydrophobicContact CG-CG2 4.02Å; R143-T457 VanDerWaalsContact CZ-O 3.3Å; R143-T457 PolarHBondContact NH1-O 3.03Å; W453-T457 HydrophobicContact CD2-CG2 3.47Å; W453-T457 VanDerWaalsContact CD2-CG2 3.47Å; W453-T457 HydrophobicContact CE3-CG2 3.65Å; W453-T457 HydrophobicContact CG-CG2 4.04Å; W453-T457 HydrophobicContact CH2-CG2 3.98Å; W453-T457 HydrophobicContact CZ2-CG2 3.81Å; W453-T457 HydrophobicContact CZ3-CG2 3.92Å; W453-T457 WeakPolarHBondContact O-CB 3.22Å; W453-T457 WeakPolarHBondContact O-CG2 3.35Å; W453-T457 PolarHBondContact O-OG1 2.91Å; F455-T457 PolarHBondContact O-N 2.91Å
458L97Very high96Very high1 Ų128.7 Ų28.71%0.00515%0.15CC..THydrogen-bonded Turntrans-9512.3179.9-57.3175.7000112.9L76 L78 P454 F455 S456 S465 D467 F468L76-L458 HydrophobicContact CD2-CD2 3.7Å; L78-L458 HydrophobicContact CD1-CD2 3.88Å; P454-L458 WeakPolarHBondContact O-CD1 3.39Å; F455-L458 PolarHBondContact O-N 3.06Å; S456-L458 PolarHBondContact O-N 3.22Å; L458-S465 PolarHBondContact O-OG 2.9Å; L458-D467 HydrophobicContact CB-CB 4.29Å; L458-D467 HydrophobicContact CD2-CB 4.39Å; L458-F468 HydrophobicContact CB-CB 4.33Å; L458-F468 WeakPolarHBondContact O-CB 3.41Å; L458-F468 PolarHBondContact O-N 3.22Å
459G95.6Very high96.1Very high18 Ų1834 Ų3419%0.18617%0.174CC..THydrogen-bonded Turntrans96.10.5174.700000115.5S456 D462S456-G459 PolarHBondContact O-N 2.87Å; G459-D462 WeakPolarHBondContact O-CB 3.5Å; G459-D462 PolarHBondContact O-N 2.9Å
460W97.2Very high96.1Very high7 Ų736.8 Ų36.83%0.02718%0.184CC..THydrogen-bonded Turntrans-57135.9165.9-171.394.8000109.3A153 K156 V157 F455 F468 F498A153-W460 HydrophobicContact CB-CE3 3.66Å; A153-W460 HydrophobicContact CB-CZ3 3.67Å; K156-W460 HydrophobicContact CD-CH2 4.14Å; K156-W460 HydrophobicContact CD-CZ2 4.34Å; K156-W460 HydrophobicContact CG-CH2 4.37Å; V157-W460 HydrophobicContact CG2-CH2 3.44Å; V157-W460 VanDerWaalsContact CG2-CH2 3.44Å; V157-W460 HydrophobicContact CG2-CZ3 3.62Å; F455-W460 HydrophobicContact CB-CB 4.25Å; F455-W460 HydrophobicContact CD2-CB 3.85Å; F455-W460 AromaticContact CD2-CD2 3.52Å; F455-W460 HydrophobicContact CD2-CD2 3.52Å; F455-W460 AromaticContact CD2-CE3 3.72Å; F455-W460 HydrophobicContact CD2-CE3 3.72Å; F455-W460 AromaticContact CD2-CG 3.58Å; F455-W460 HydrophobicContact CD2-CG 3.58Å; F455-W460 AromaticContact CE2-CD2 3.71Å; F455-W460 HydrophobicContact CE2-CD2 3.71Å; F455-W460 AromaticContact CE2-CE3 3.61Å; F455-W460 HydrophobicContact CE2-CE3 3.61Å; F455-W460 HydrophobicContact CE2-CG 4.25Å; F455-W460 HydrophobicContact CE2-CH2 4.44Å; F455-W460 AromaticContact CE2-CZ3 3.99Å; F455-W460 HydrophobicContact CE2-CZ3 3.99Å; F455-W460 VanDerWaalsContact O-CB 3.24Å; F455-W460 WeakPolarHBondContact O-CB 3.29Å; F455-W460 PolarHBondContact O-N 3.35Å; W460-F468 HydrophobicContact CB-CD2 4.06Å; W460-F468 HydrophobicContact CB-CE2 4.25Å; W460-F468 AromaticContact CD1-CE2 3.93Å; W460-F468 AromaticContact CD1-CZ 3.85Å; W460-F468 HydrophobicContact CG-CE2 4.42Å; W460-F498 HydrophobicContact CH2-CB 4.44Å; W460-F498 AromaticContact CH2-CD1 3.95Å; W460-F498 HydrophobicContact CH2-CD1 3.95Å; W460-F498 HydrophobicContact CH2-CE1 4.47Å; W460-F498 HydrophobicContact CH2-CG 4.21Å; W460-F498 HydrophobicContact CZ2-CB 3.88Å; W460-F498 AromaticContact CZ2-CD1 3.78Å; W460-F498 HydrophobicContact CZ2-CD1 3.78Å; W460-F498 HydrophobicContact CZ2-CG 4.04Å
461P95.3Very high96.2Very high28 Ų2837 Ų3718%0.18218%0.184CC..THydrogen-bonded Turncis-91.3822.836.5-36.8000116.9K152 K156 L463K152-P461 HydrophobicContact CG-CG 4.3Å; K156-P461 HydrophobicContact CD-CB 3.42Å; K156-P461 VanDerWaalsContact CD-CB 3.42Å; K156-P461 HydrophobicContact CD-CG 4.01Å; P461-L463 PolarHBondContact O-N 3.46Å; P461-L463 VanDerWaalsContact O-N 3.08Å
462D95.3Very high96.2Very high91 Ų9137.2 Ų37.249%0.48719%0.185SC..  trans-7499.7171.4-174.55.2000110.3G459 E464 S465G459-D462 WeakPolarHBondContact O-CB 3.5Å; G459-D462 PolarHBondContact O-N 2.9Å; D462-E464 PolarHBondContact O-N 3.37Å; D462-E464 WeakPolarHBondContact OD1-CA 3.33Å; D462-E464 WeakPolarHBondContact OD1-CB 3.36Å; D462-E464 PolarHBondContact OD1-N 3.02Å; D462-S465 WeakPolarHBondContact O-CB 3.27Å; D462-S465 PolarHBondContact O-N 2.97Å
463L93.7Very high96.2Very high103 Ų10338.9 Ų38.954%0.53920%0.196SC..THydrogen-bonded Turntrans-63.3-18.1176.7-63.1-179.7000112.6P461 S465 F468 K469P461-L463 PolarHBondContact O-N 3.46Å; P461-L463 VanDerWaalsContact O-N 3.08Å; L463-S465 VanDerWaalsContact C-N 3.35Å; L463-F468 HydrophobicContact CD2-CD1 4.37Å; L463-F468 HydrophobicContact CD2-CE1 3.69Å; L463-F468 HydrophobicContact CD2-CZ 4.33Å; L463-K469 WeakPolarHBondContact O-CE 3.28Å
464E96.1Very high96.2Very high132 Ų13238.9 Ų38.962%0.61720%0.196SC*.THydrogen-bonded Turntrans-86.1-6.1176.1-64-58.2110.600113.4D462 E466 K469D462-E464 PolarHBondContact O-N 3.37Å; D462-E464 WeakPolarHBondContact OD1-CA 3.33Å; D462-E464 WeakPolarHBondContact OD1-CB 3.36Å; D462-E464 PolarHBondContact OD1-N 3.02Å; E464-E466 PolarHBondContact O-N 2.68Å; E464-K469 IonicContact OE1-NZ 2.62Å; E464-K469 PolarHBondContact OE1-NZ 3Å; E464-K469 IonicContact OE2-NZ 3.69Å; E464-K469 PolarHBondContact OE2-NZ 3.11Å
465S95.8Very high96.3Very high22 Ų2239.8 Ų39.815%0.15420%0.201CC..  trans-53.5123.8173.6175.40000111.2L458 D462 L463 D467 F468 K469L458-S465 PolarHBondContact O-OG 2.9Å; D462-S465 WeakPolarHBondContact O-CB 3.27Å; D462-S465 PolarHBondContact O-N 2.97Å; L463-S465 VanDerWaalsContact C-N 3.35Å; S465-D467 VanDerWaalsContact C-N 3.28Å; S465-D467 PolarHBondContact O-N 3.39Å; S465-F468 PolarHBondContact O-N 3.25Å; S465-F468 PolarHBondContact OG-N 3.21Å; S465-K469 PolarHBondContact O-N 3.45Å; S465-K469 VanDerWaalsContact O-N 3.09Å
466E94.8Very high96.4Very high149 Ų14939.8 Ų39.870%0.69620%0.201SC*.Hα-helixtrans-61.1-39.5178.6-65.3-164.1147.900111.5E464 K469 R470E464-E466 PolarHBondContact O-N 2.68Å; E466-K469 PolarHBondContact O-N 3.13Å; E466-R470 WeakPolarHBondContact O-CB 3.35Å; E466-R470 PolarHBondContact O-N 3.05Å
467D95.5Very high96.4Very high34 Ų3439.8 Ų39.818%0.18220%0.201CC..Hα-helixtrans-65.8-42.1178.9-79.1-12.7000111.1R141 L458 S465 K469 R470 Y471R141-D467 IonicContact CZ-OD1 2.76Å; R141-D467 IonicContact CZ-OD2 3.02Å; R141-D467 IonicContact NE-OD1 3.65Å; R141-D467 PolarHBondContact NE-OD1 2.7Å; R141-D467 IonicContact NE-OD2 3.64Å; R141-D467 PolarHBondContact NE-OD2 3.2Å; R141-D467 IonicContact NH2-OD1 2.99Å; R141-D467 PolarHBondContact NH2-OD1 3.28Å; R141-D467 IonicContact NH2-OD2 3.28Å; L458-D467 HydrophobicContact CB-CB 4.29Å; L458-D467 HydrophobicContact CD2-CB 4.39Å; S465-D467 VanDerWaalsContact C-N 3.28Å; S465-D467 PolarHBondContact O-N 3.39Å; D467-K469 PolarHBondContact O-N 2.81Å; D467-R470 PolarHBondContact O-N 2.92Å; D467-Y471 HydrophobicContact CB-CD2 4.18Å; D467-Y471 WeakPolarHBondContact O-CB 3.45Å; D467-Y471 PolarHBondContact O-N 3.19Å
468F97Very high96.5Very high13 Ų1339.8 Ų39.86%0.05720%0.201CC..Hα-helixtrans-63.2-43.5177.4178.6-109.1000111.3F455 L458 W460 L463 S465 R470 Y472 T499F455-F468 HydrophobicContact CB-CD2 4.11Å; F455-F468 HydrophobicContact CB-CE2 3.75Å; L458-F468 HydrophobicContact CB-CB 4.33Å; L458-F468 WeakPolarHBondContact O-CB 3.41Å; L458-F468 PolarHBondContact O-N 3.22Å; W460-F468 HydrophobicContact CB-CD2 4.06Å; W460-F468 HydrophobicContact CB-CE2 4.25Å; W460-F468 AromaticContact CD1-CE2 3.93Å; W460-F468 AromaticContact CD1-CZ 3.85Å; W460-F468 HydrophobicContact CG-CE2 4.42Å; L463-F468 HydrophobicContact CD2-CD1 4.37Å; L463-F468 HydrophobicContact CD2-CE1 3.69Å; L463-F468 HydrophobicContact CD2-CZ 4.33Å; S465-F468 PolarHBondContact O-N 3.25Å; S465-F468 PolarHBondContact OG-N 3.21Å; F468-R470 VanDerWaalsContact C-N 3.33Å; F468-R470 PolarHBondContact O-N 2.72Å; F468-Y472 HydrophobicContact CD2-CD1 4.41Å; F468-Y472 HydrophobicContact CD2-CG 4.19Å; F468-Y472 AromaticContact CE2-CD1 3.64Å; F468-Y472 HydrophobicContact CE2-CD1 3.64Å; F468-Y472 HydrophobicContact CE2-CE1 4.25Å; F468-Y472 AromaticContact CE2-CG 3.79Å; F468-Y472 HydrophobicContact CE2-CG 3.79Å; F468-Y472 HydrophobicContact CZ-CD1 4.03Å; F468-Y472 VanDerWaalsContact O-CB 3.29Å; F468-Y472 WeakPolarHBondContact O-CB 3.5Å; F468-Y472 PolarHBondContact O-N 3.43Å; F468-T499 HydrophobicContact CE2-CG2 4.25Å; F468-T499 HydrophobicContact CZ-CG2 4.13Å
469K96Very high96.5Very high112 Ų11239.9 Ų39.949%0.48720%0.202SC..Hα-helixtrans-66.2-34.3177.9-70.7-179.3-178.3178.70112.8L463 E464 S465 E466 D467L463-K469 WeakPolarHBondContact O-CE 3.28Å; E464-K469 IonicContact OE1-NZ 2.62Å; E464-K469 PolarHBondContact OE1-NZ 3Å; E464-K469 IonicContact OE2-NZ 3.69Å; E464-K469 PolarHBondContact OE2-NZ 3.11Å; S465-K469 PolarHBondContact O-N 3.45Å; S465-K469 VanDerWaalsContact O-N 3.09Å; E466-K469 PolarHBondContact O-N 3.13Å; D467-K469 PolarHBondContact O-N 2.81Å
470R95.5Very high96.5Very high62 Ų6239.2 Ų39.223%0.23420%0.195CC..Hα-helixtrans-89-40.3-172.6-178.9167.5-174.878.7-2.9113.7D31 T36 D74 E466 D467 F468D31-R470 VanDerWaalsContact C-NH2 3.27Å; D31-R470 PolarHBondContact O-NH2 3.44Å; T36-R470 HydrophobicContact CG2-CG 3.74Å; T36-R470 PolarHBondContact OG1-O 3.02Å; D74-R470 IonicContact OD2-CZ 2.67Å; D74-R470 VanDerWaalsContact OD2-CZ 3.29Å; D74-R470 IonicContact OD2-NE 2.81Å; D74-R470 PolarHBondContact OD2-NE 2.99Å; D74-R470 IonicContact OD2-NH2 3.68Å; D74-R470 PolarHBondContact OD2-NH2 2.87Å; E466-R470 WeakPolarHBondContact O-CB 3.35Å; E466-R470 PolarHBondContact O-N 3.05Å; D467-R470 PolarHBondContact O-N 2.92Å; F468-R470 VanDerWaalsContact C-N 3.33Å; F468-R470 PolarHBondContact O-N 2.72Å
471Y97Very high96.4Very high3 Ų341.8 Ų41.81%0.01221%0.205CC..Hα-helixtrans-111.1-2-166.7-63.5-66.4000114.4P28 T36 T38 D74 L76 D467 P473P28-Y471 WeakPolarHBondContact CB-OH 3.18Å; T36-Y471 HydrophobicContact CG2-CD1 3.88Å; T36-Y471 HydrophobicContact CG2-CE1 3.78Å; T38-Y471 VanDerWaalsContact OG1-CB 3.31Å; T38-Y471 WeakPolarHBondContact OG1-CB 2.85Å; T38-Y471 WeakPolarHBondContact OG1-CD1 3.49Å; T38-Y471 PolarHBondContact OG1-O 3.04Å; T38-Y471 VanDerWaalsContact OG1-O 3.13Å; D74-Y471 PolarHBondContact OD2-OH 3.37Å; L76-Y471 HydrophobicContact CB-CD1 3.83Å; L76-Y471 HydrophobicContact CB-CE1 3.86Å; L76-Y471 HydrophobicContact CB-CG 4.3Å; L76-Y471 HydrophobicContact CD2-CD1 4.02Å; L76-Y471 HydrophobicContact CD2-CD2 3.6Å; L76-Y471 HydrophobicContact CD2-CE1 4.43Å; L76-Y471 HydrophobicContact CD2-CE2 4.05Å; L76-Y471 HydrophobicContact CD2-CG 3.59Å; D467-Y471 HydrophobicContact CB-CD2 4.18Å; D467-Y471 WeakPolarHBondContact O-CB 3.45Å; D467-Y471 PolarHBondContact O-N 3.19Å; Y471-P473 CarbonylContact O-C 3.56Å; Y471-P473 VanDerWaalsContact O-O 3.12Å
472Y97.1Very high96.1Very high6 Ų644.4 Ų44.42%0.02422%0.217CC..  trans-109132.6174.4-173.2-97.3000112.2P454 F455 F468 T499 R501 R502 P503P454-Y472 HydrophobicContact CB-CE2 4.32Å; F455-Y472 HydrophobicContact CB-CD2 3.83Å; F455-Y472 HydrophobicContact CB-CE2 3.82Å; F455-Y472 HydrophobicContact CB-CG 4.39Å; F455-Y472 HydrophobicContact CD1-CE2 4.17Å; F455-Y472 HydrophobicContact CG-CE2 4.45Å; F468-Y472 HydrophobicContact CD2-CD1 4.41Å; F468-Y472 HydrophobicContact CD2-CG 4.19Å; F468-Y472 AromaticContact CE2-CD1 3.64Å; F468-Y472 HydrophobicContact CE2-CD1 3.64Å; F468-Y472 HydrophobicContact CE2-CE1 4.25Å; F468-Y472 AromaticContact CE2-CG 3.79Å; F468-Y472 HydrophobicContact CE2-CG 3.79Å; F468-Y472 HydrophobicContact CZ-CD1 4.03Å; F468-Y472 VanDerWaalsContact O-CB 3.29Å; F468-Y472 WeakPolarHBondContact O-CB 3.5Å; F468-Y472 PolarHBondContact O-N 3.43Å; Y472-T499 HydrophobicContact CE1-CG2 3.75Å; Y472-T499 VanDerWaalsContact CE1-OG1 3.23Å; Y472-T499 WeakPolarHBondContact CE1-OG1 3.47Å; Y472-T499 PolarHBondContact OH-OG1 3.24Å; Y472-R501 HydrophobicContact CE1-CB 4.19Å; Y472-R501 PolarHBondContact O-NH1 3.1Å; Y472-R501 PolarHBondContact O-NH2 3.48Å; Y472-R501 PolarHBondContact OH-O 2.99Å; Y472-R502 PolarHBondContact OH-O 3.49Å; Y472-P503 HydrophobicContact CE2-CB 4.42Å; Y472-P503 WeakPolarHBondContact OH-CA 3.23Å
473P97.1Very high96Very high35 Ų3541.7 Ų41.723%0.22720%0.203CC..SBendcis-70.4156.53.932.8-38.9000113.3Y471 R502Y471-P473 CarbonylContact O-C 3.56Å; Y471-P473 VanDerWaalsContact O-O 3.12Å; P473-R502 WeakPolarHBondContact CB-O 3.45Å
474T98Very high96Very high0 Ų037 Ų370%018%0.178CC..EExtended strand (participates in β ladder)trans-72.1158.1174.562.50000110.7T38 V40 P454 P503 F504 N505T38-T474 HydrophobicContact CG2-CG2 3.86Å; V40-T474 HydrophobicContact CG1-CG2 4.24Å; P454-T474 HydrophobicContact CB-CG2 4.41Å; T474-P503 PolarHBondContact N-O 2.91Å; T474-P503 PolarHBondContact OG1-O 3.16Å; T474-F504 CarbonylContact O-C 3.52Å; T474-F504 WeakPolarHBondContact O-CA 3.43Å; T474-F504 WeakPolarHBondContact OG1-CB 3.13Å; T474-N505 PolarHBondContact O-N 3.41Å; T474-N505 VanDerWaalsContact O-N 3.1Å
475N98.2Very high95.8Very high19 Ų1933.7 Ų33.710%0.10216%0.161CC..EExtended strand (participates in β ladder)trans-87.6-41.6-173.5-63.775.8000111.9T36 Y37 T38 N505 D506T36-N475 PolarHBondContact O-ND2 2.65Å; Y37-N475 VanDerWaalsContact CA-OD1 3.28Å; Y37-N475 WeakPolarHBondContact CA-OD1 3.46Å; Y37-N475 HydrophobicContact CD1-CB 4.02Å; Y37-N475 HydrophobicContact CD2-CB 3.85Å; Y37-N475 HydrophobicContact CE1-CB 3.89Å; Y37-N475 HydrophobicContact CE2-CB 3.74Å; Y37-N475 HydrophobicContact CG-CB 4.01Å; T38-N475 PolarHBondContact N-OD1 3.03Å; T38-N475 PolarHBondContact O-N 3.25Å; N475-N505 WeakPolarHBondContact O-CB 3.49Å; N475-D506 PolarHBondContact O-N 3.38Å; N475-D506 VanDerWaalsContact O-N 3.09Å
476A98Very high95.3Very high0 Ų033.8 Ų33.80%016%0.159CC..EExtended strand (participates in β ladder)trans-143138178.100000111.2I39 D506I39-A476 HydrophobicContact CD1-CB 4.22Å; I39-A476 HydrophobicContact CG1-CB 4.34Å; A476-D506 CarbonylContact C-O 3.51Å; A476-D506 WeakPolarHBondContact CA-O 3.27Å; A476-D506 HydrophobicContact CB-CB 4.31Å
477L98.4Very high95.2Very high0 Ų026.9 Ų26.90%013%0.127CC..EExtended strand (participates in β ladder)trans-104.4115.7164.1-179.175.9000108.7V40 T479 W487 V488 M491 F504 D506 V507 L508V40-L477 HydrophobicContact CG2-CD1 4.5Å; L477-T479 HydrophobicContact CD2-CG2 4.39Å; L477-W487 HydrophobicContact CD1-CH2 3.76Å; L477-W487 HydrophobicContact CD1-CZ3 3.81Å; L477-V488 HydrophobicContact CD2-CB 4.38Å; L477-V488 HydrophobicContact CD2-CG1 4.14Å; L477-V488 HydrophobicContact CD2-CG2 3.85Å; L477-M491 HydrophobicContact CD1-CE 3.88Å; L477-M491 HydrophobicContact CD1-SD 4.49Å; L477-M491 HydrophobicContact CD2-CE 3.33Å; L477-M491 HydrophobicContact CG-CE 4.26Å; L477-F504 HydrophobicContact CB-CB 4.24Å; L477-F504 HydrophobicContact CB-CD1 3.8Å; L477-F504 HydrophobicContact CB-CD2 4.23Å; L477-F504 HydrophobicContact CB-CE1 4.2Å; L477-F504 HydrophobicContact CB-CG 3.82Å; L477-F504 HydrophobicContact CD2-CD1 4.1Å; L477-F504 HydrophobicContact CD2-CE1 3.61Å; L477-F504 HydrophobicContact CD2-CE2 4.27Å; L477-F504 HydrophobicContact CD2-CZ 3.69Å; L477-F504 HydrophobicContact CG-CD1 4.39Å; L477-F504 HydrophobicContact CG-CE1 4.36Å; L477-D506 PolarHBondContact N-O 2.81Å; L477-V507 HydrophobicContact CD2-CG1 4.42Å; L477-V507 CarbonylContact O-C 3.46Å; L477-V507 WeakPolarHBondContact O-CA 3.49Å; L477-L508 PolarHBondContact O-N 3.06Å
478V98.2Very high95.3Very high0 Ų025.3 Ų25.30%012%0.118CC..EExtended strand (participates in β ladder)trans-102131.1173.3-172.10000108.4P42 L60 Q61 I64 L508P42-V478 WeakPolarHBondContact CG-O 3.49Å; L60-V478 HydrophobicContact CB-CG1 4.01Å; L60-V478 HydrophobicContact CD1-CG1 4.23Å; Q61-V478 HydrophobicContact CG-CB 3.45Å; Q61-V478 VanDerWaalsContact CG-CB 3.45Å; Q61-V478 HydrophobicContact CG-CG1 4.06Å; Q61-V478 HydrophobicContact CG-CG2 3.56Å; I64-V478 HydrophobicContact CD1-CG2 3.83Å; V478-L508 WeakPolarHBondContact CA-O 3.34Å; V478-L508 HydrophobicContact CG1-CB 4.43Å; V478-L508 HydrophobicContact CG1-CD2 4.1Å; V478-L508 HydrophobicContact CG1-CG 4.28Å; V478-L508 HydrophobicContact CG2-CB 4.19Å; V478-L508 HydrophobicContact CG2-CD2 4.13Å
479T97.5Very high95.3Very high4 Ų424.7 Ų24.73%0.02512%0.115CC..EExtended strand (participates in β ladder)trans-164.2168.7176.1-176.80000112.3L477 I483 V488 L508 L509 H510L477-T479 HydrophobicContact CD2-CG2 4.39Å; T479-I483 HydrophobicContact CG2-CG1 4.44Å; T479-I483 WeakPolarHBondContact OG1-CD1 3.3Å; T479-I483 VanDerWaalsContact OG1-CG1 3.24Å; T479-I483 WeakPolarHBondContact OG1-CG1 3.38Å; T479-V488 HydrophobicContact CG2-CG2 3.73Å; T479-L508 PolarHBondContact N-O 3.09Å; T479-L509 HydrophobicContact CG2-CD2 3.67Å; T479-L509 VanDerWaalsContact O-CA 3.29Å; T479-L509 WeakPolarHBondContact O-CA 3.44Å; T479-H510 VanDerWaalsContact C-CD2 3.46Å; T479-H510 PolarHBondContact O-CD2 3.36Å; T479-H510 PolarHBondContact O-N 3.12Å
480G95.1Very high95.3Very high4 Ų419.8 Ų19.84%0.0419%0.094CC..EExtended strand (participates in β ladder)trans-69.4148.3168.200000112.7D482 I483 H510G480-D482 VanDerWaalsContact C-OD1 3.29Å; G480-D482 WeakPolarHBondContact CA-OD1 3.32Å; G480-D482 PolarHBondContact O-N 3.43Å; G480-D482 VanDerWaalsContact O-N 3.16Å; G480-I483 PolarHBondContact O-N 3.01Å; G480-H510 PolarHBondContact N-CE1 3.01Å; G480-H510 PolarHBondContact N-NE2 3.08Å
481Y94.1Very high95.4Very high61 Ų6116.9 Ų16.924%0.2398%0.083CC..G310 helixtrans-63.4-16.5176.865-117000114.1F387 I483 I484 H510 L512 R514 D556F387-Y481 HydrophobicContact CE1-CG 4.34Å; F387-Y481 HydrophobicContact CZ-CD1 4.12Å; F387-Y481 HydrophobicContact CZ-CG 4.14Å; Y481-I483 PolarHBondContact O-N 3.26Å; Y481-I484 WeakPolarHBondContact O-CD1 3.27Å; Y481-I484 VanDerWaalsContact O-CG1 3.27Å; Y481-I484 WeakPolarHBondContact O-CG1 3.35Å; Y481-I484 PolarHBondContact O-N 3.03Å; Y481-H510 WeakPolarHBondContact CD1-O 3.38Å; Y481-H510 PolarHBondContact N-O 2.79Å; Y481-H510 VanDerWaalsContact N-O 3.15Å; Y481-L512 HydrophobicContact CE1-CG 4.38Å; Y481-L512 HydrophobicContact CE2-CD1 4.16Å; Y481-L512 HydrophobicContact CE2-CG 4.21Å; Y481-R514 PolarHBondContact OH-NH2 3.23Å; Y481-D556 WeakPolarHBondContact CE1-OD1 3.45Å; Y481-D556 PolarHBondContact OH-OD1 3.47Å; Y481-D556 PolarHBondContact OH-OD2 3.34Å
482D90.6Very high95.5Very high83 Ų8316.7 Ų16.744%0.4448%0.082SC..G310 helixtrans-68.5-21-176.858.4-43.5000113.1G480 L512G480-D482 VanDerWaalsContact C-OD1 3.29Å; G480-D482 WeakPolarHBondContact CA-OD1 3.32Å; G480-D482 PolarHBondContact O-N 3.43Å; G480-D482 VanDerWaalsContact O-N 3.16Å; D482-L512 HydrophobicContact CB-CD1 4.46Å; D482-L512 HydrophobicContact CB-CD2 4.2Å
483I92.4Very high95.5Very high34 Ų3416.6 Ų16.617%0.1748%0.082CC..G310 helixtrans-11320.6179.166.3175.4000114.3W447 T479 G480 Y481 F485 F486 W487 V488W447-I483 HydrophobicContact CH2-CG2 4.19Å; T479-I483 HydrophobicContact CG2-CG1 4.44Å; T479-I483 WeakPolarHBondContact OG1-CD1 3.3Å; T479-I483 VanDerWaalsContact OG1-CG1 3.24Å; T479-I483 WeakPolarHBondContact OG1-CG1 3.38Å; G480-I483 PolarHBondContact O-N 3.01Å; Y481-I483 PolarHBondContact O-N 3.26Å; I483-F485 VanDerWaalsContact C-N 3.31Å; I483-F485 PolarHBondContact O-N 3.48Å; I483-F486 HydrophobicContact CB-CB 4.24Å; I483-F486 HydrophobicContact CG2-CB 4.44Å; I483-F486 HydrophobicContact CG2-CD2 4.37Å; I483-F486 PolarHBondContact O-N 2.77Å; I483-W487 HydrophobicContact CB-CB 4.17Å; I483-W487 HydrophobicContact CD1-CB 4.15Å; I483-W487 HydrophobicContact CD1-CD2 4.2Å; I483-W487 HydrophobicContact CD1-CE3 3.53Å; I483-W487 HydrophobicContact CD1-CG 4.49Å; I483-W487 HydrophobicContact CD1-CZ3 4.35Å; I483-W487 HydrophobicContact CG1-CB 4.3Å; I483-W487 HydrophobicContact CG1-CE3 4.32Å; I483-W487 WeakPolarHBondContact O-CB 3.39Å; I483-W487 PolarHBondContact O-N 2.79Å; I483-V488 PolarHBondContact O-N 3.33Å
484I94.5Very high95.4Very high3 Ų315.1 Ų15.12%0.0157%0.072CC..Iπ-helixtrans-54.1-50172.5-67.4167.2000110.4F387 Y481 V488 A489 L509F387-I484 HydrophobicContact CB-CD1 4.32Å; F387-I484 HydrophobicContact CD1-CD1 3.46Å; F387-I484 VanDerWaalsContact CD1-CD1 3.46Å; F387-I484 HydrophobicContact CE1-CD1 3.9Å; F387-I484 HydrophobicContact CG-CD1 4.03Å; Y481-I484 WeakPolarHBondContact O-CD1 3.27Å; Y481-I484 VanDerWaalsContact O-CG1 3.27Å; Y481-I484 WeakPolarHBondContact O-CG1 3.35Å; Y481-I484 PolarHBondContact O-N 3.03Å; I484-V488 WeakPolarHBondContact O-CB 3.48Å; I484-V488 PolarHBondContact O-N 2.95Å; I484-A489 WeakPolarHBondContact O-CB 3.34Å; I484-A489 PolarHBondContact O-N 3.33Å; I484-L509 HydrophobicContact CD1-CD1 3.51Å; I484-L509 HydrophobicContact CD1-CD2 4.32Å; I484-L509 HydrophobicContact CG1-CD1 3.79Å; I484-L509 HydrophobicContact CG1-CD2 3.82Å; I484-L509 HydrophobicContact CG1-CG 4.47Å
485F91.2Very high95.4Very high63 Ų6315.1 Ų15.128%0.2767%0.072SC..Iπ-helixtrans-77-41.4-178.2-51-40.2000112.2I187 T390 W394 I483 W487I187-F485 HydrophobicContact CD1-CB 3.66Å; T390-F485 HydrophobicContact CG2-CE1 3.75Å; T390-F485 HydrophobicContact CG2-CZ 3.54Å; W394-F485 HydrophobicContact CB-CD1 3.62Å; W394-F485 HydrophobicContact CB-CE1 3.42Å; W394-F485 VanDerWaalsContact CB-CE1 3.42Å; W394-F485 HydrophobicContact CB-CZ 4.25Å; W394-F485 AromaticContact CD1-CD1 3.62Å; W394-F485 AromaticContact CD1-CE1 3.92Å; W394-F485 AromaticContact CD1-CG 3.77Å; W394-F485 HydrophobicContact CD2-CB 4.04Å; W394-F485 AromaticContact CD2-CD1 3.58Å; W394-F485 HydrophobicContact CD2-CD1 3.58Å; W394-F485 HydrophobicContact CD2-CE1 4.34Å; W394-F485 HydrophobicContact CD2-CG 4.02Å; W394-F485 HydrophobicContact CE3-CD1 4.16Å; W394-F485 HydrophobicContact CG-CB 4.42Å; W394-F485 AromaticContact CG-CD1 3.3Å; W394-F485 HydrophobicContact CG-CD1 3.3Å; W394-F485 AromaticContact CG-CE1 3.6Å; W394-F485 HydrophobicContact CG-CE1 3.6Å; W394-F485 AromaticContact CG-CG 3.89Å; W394-F485 HydrophobicContact CG-CG 3.89Å; W394-F485 HydrophobicContact CG-CZ 4.38Å; W394-F485 WeakPolarHBondContact CH2-O 3.37Å; W394-F485 HydrophobicContact CZ2-CB 3.98Å; W394-F485 AromaticContact NE1-CG 3.84Å; I483-F485 VanDerWaalsContact C-N 3.31Å; I483-F485 PolarHBondContact O-N 3.48Å; F485-W487 VanDerWaalsContact C-N 3.33Å; F485-W487 PolarHBondContact O-N 3.39Å
486F84.3Confident95.4Very high25 Ų2514.4 Ų14.411%0.117%0.068CC..Iπ-helixtrans-70.5-27.6-176.3-72-70.6000114.1I187 E188 W447 I483 R490I187-F486 HydrophobicContact CB-CD1 4.17Å; I187-F486 HydrophobicContact CB-CE1 3.41Å; I187-F486 VanDerWaalsContact CB-CE1 3.41Å; I187-F486 HydrophobicContact CB-CE2 4.34Å; I187-F486 HydrophobicContact CB-CZ 3.56Å; I187-F486 HydrophobicContact CG2-CD1 4.1Å; I187-F486 HydrophobicContact CG2-CD2 4.09Å; I187-F486 HydrophobicContact CG2-CE1 3.4Å; I187-F486 HydrophobicContact CG2-CE2 3.37Å; I187-F486 HydrophobicContact CG2-CG 4.43Å; I187-F486 HydrophobicContact CG2-CZ 3.01Å; I187-F486 WeakPolarHBondContact O-CZ 3.31Å; E188-F486 HydrophobicContact CG-CE1 4.17Å; W447-F486 HydrophobicContact CD2-CB 4.02Å; W447-F486 HydrophobicContact CD2-CD1 4.47Å; W447-F486 AromaticContact CE2-CD1 3.75Å; W447-F486 HydrophobicContact CE3-CB 4.04Å; W447-F486 HydrophobicContact CH2-CB 3.68Å; W447-F486 HydrophobicContact CH2-CG 4.3Å; W447-F486 HydrophobicContact CZ2-CB 3.64Å; W447-F486 AromaticContact CZ2-CD1 3.92Å; W447-F486 HydrophobicContact CZ2-CD1 3.92Å; W447-F486 AromaticContact CZ2-CG 3.85Å; W447-F486 HydrophobicContact CZ2-CG 3.85Å; W447-F486 HydrophobicContact CZ3-CB 3.89Å; W447-F486 AromaticContact NE1-CD1 3.68Å; I483-F486 HydrophobicContact CB-CB 4.24Å; I483-F486 HydrophobicContact CG2-CB 4.44Å; I483-F486 HydrophobicContact CG2-CD2 4.37Å; I483-F486 PolarHBondContact O-N 2.77Å; F486-R490 WeakPolarHBondContact O-CD 3.43Å; F486-R490 PolarHBondContact O-NH1 3.02Å
487W94.5Very high95.3Very high4 Ų415.7 Ų15.72%0.0157%0.074CC..Iπ-helixtrans-137.4-56.9-167.8-163.142.7000112.8P42 P43 W447 S450 W453 L477 I483 F485 A489 R490 M491P42-W487 HydrophobicContact CB-CE3 4.35Å; P42-W487 HydrophobicContact CB-CH2 3.64Å; P42-W487 HydrophobicContact CB-CZ3 3.42Å; P42-W487 VanDerWaalsContact CB-CZ3 3.42Å; P42-W487 HydrophobicContact CG-CH2 3.94Å; P42-W487 HydrophobicContact CG-CZ3 3.66Å; P43-W487 VanDerWaalsContact CD-CZ2 3.46Å; P43-W487 HydrophobicContact CG-CZ2 4.4Å; W447-W487 HydrophobicContact CE3-CB 4.14Å; W447-W487 HydrophobicContact CE3-CG 4.39Å; W447-W487 HydrophobicContact CZ3-CB 3.77Å; W447-W487 HydrophobicContact CZ3-CG 4.07Å; S450-W487 PolarHBondContact O-NE1 3.26Å; W453-W487 HydrophobicContact CB-CZ2 4.09Å; W453-W487 AromaticContact CD1-CZ2 3.74Å; W453-W487 HydrophobicContact CG-CZ2 4.06Å; L477-W487 HydrophobicContact CD1-CH2 3.76Å; L477-W487 HydrophobicContact CD1-CZ3 3.81Å; I483-W487 HydrophobicContact CB-CB 4.17Å; I483-W487 HydrophobicContact CD1-CB 4.15Å; I483-W487 HydrophobicContact CD1-CD2 4.2Å; I483-W487 HydrophobicContact CD1-CE3 3.53Å; I483-W487 HydrophobicContact CD1-CG 4.49Å; I483-W487 HydrophobicContact CD1-CZ3 4.35Å; I483-W487 HydrophobicContact CG1-CB 4.3Å; I483-W487 HydrophobicContact CG1-CE3 4.32Å; I483-W487 WeakPolarHBondContact O-CB 3.39Å; I483-W487 PolarHBondContact O-N 2.79Å; F485-W487 VanDerWaalsContact C-N 3.33Å; F485-W487 PolarHBondContact O-N 3.39Å; W487-A489 PolarHBondContact O-N 3.11Å; W487-R490 PolarHBondContact O-N 3.34Å; W487-R490 VanDerWaalsContact O-N 3.15Å; W487-M491 HydrophobicContact CD2-CE 3.39Å; W487-M491 HydrophobicContact CD2-SD 4.12Å; W487-M491 VanDerWaalsContact CE2-CE 3.49Å; W487-M491 VanDerWaalsContact CE2-SD 3.55Å; W487-M491 HydrophobicContact CE3-CE 3.6Å; W487-M491 HydrophobicContact CG-CE 3.83Å; W487-M491 HydrophobicContact CH2-CE 3.9Å; W487-M491 HydrophobicContact CH2-SD 4.16Å; W487-M491 HydrophobicContact CZ2-CE 3.78Å; W487-M491 HydrophobicContact CZ2-SD 3.61Å; W487-M491 HydrophobicContact CZ3-CE 3.85Å; W487-M491 WeakPolarHBondContact O-CG 3.14Å; W487-M491 PolarHBondContact O-N 2.86Å
488V97.3Very high95.2Very high0 Ų017 Ų170%08%0.08CC..Iπ-helixtrans-56.1-53.6-177.3-176.30000110.5F382 L477 T479 I483 I484 R490 M491 I492 F504 V507F382-V488 HydrophobicContact CE1-CG1 4.29Å; L477-V488 HydrophobicContact CD2-CB 4.38Å; L477-V488 HydrophobicContact CD2-CG1 4.14Å; L477-V488 HydrophobicContact CD2-CG2 3.85Å; T479-V488 HydrophobicContact CG2-CG2 3.73Å; I483-V488 PolarHBondContact O-N 3.33Å; I484-V488 WeakPolarHBondContact O-CB 3.48Å; I484-V488 PolarHBondContact O-N 2.95Å; V488-R490 VanDerWaalsContact C-N 3.28Å; V488-R490 PolarHBondContact O-N 3.34Å; V488-M491 PolarHBondContact O-N 2.9Å; V488-I492 HydrophobicContact CG1-CD1 4.03Å; V488-I492 VanDerWaalsContact O-CG1 3.3Å; V488-I492 WeakPolarHBondContact O-CG1 3.49Å; V488-I492 PolarHBondContact O-N 3.22Å; V488-F504 HydrophobicContact CG1-CE2 4.17Å; V488-F504 HydrophobicContact CG1-CZ 3.92Å; V488-V507 HydrophobicContact CG1-CG1 3.97Å; V488-V507 HydrophobicContact CG1-CG2 4.06Å; V488-V507 HydrophobicContact CG2-CG1 4.43Å
489A96.6Very high95.1Very high0 Ų017.9 Ų17.90%09%0.085CC..Hα-helixtrans-62.3-36.5-178.300000112.7F391 W394 M395 I484 W487 I492 F493F391-A489 HydrophobicContact CD2-CB 3.85Å; F391-A489 HydrophobicContact CE2-CB 3.68Å; W394-A489 HydrophobicContact CE3-CB 3.7Å; W394-A489 HydrophobicContact CH2-CB 4.21Å; W394-A489 HydrophobicContact CZ3-CB 3.29Å; M395-A489 HydrophobicContact SD-CB 4.2Å; I484-A489 WeakPolarHBondContact O-CB 3.34Å; I484-A489 PolarHBondContact O-N 3.33Å; W487-A489 PolarHBondContact O-N 3.11Å; A489-I492 WeakPolarHBondContact O-CB 3.32Å; A489-I492 PolarHBondContact O-N 3.49Å; A489-F493 WeakPolarHBondContact O-CD1 3.47Å; A489-F493 PolarHBondContact O-N 3.49Å; A489-F493 VanDerWaalsContact O-N 3.09Å
490R96Very high94.9Very high10 Ų1023.3 Ų23.34%0.03811%0.114CC..Hα-helixtrans-68.9-39.1176.9-75.9151.4157.5177.1-3.4113W401 D445 A451 F486 W487 V488 I492 F493 Q494W401-R490 VanDerWaalsContact CE2-NH2 3.35Å; W401-R490 HydrophobicContact CH2-CG 4.32Å; W401-R490 HydrophobicContact CZ3-CG 4.37Å; D445-R490 IonicContact OD2-NH2 2.68Å; A451-R490 HydrophobicContact CB-CB 3.72Å; F486-R490 WeakPolarHBondContact O-CD 3.43Å; F486-R490 PolarHBondContact O-NH1 3.02Å; W487-R490 PolarHBondContact O-N 3.34Å; W487-R490 VanDerWaalsContact O-N 3.15Å; V488-R490 VanDerWaalsContact C-N 3.28Å; V488-R490 PolarHBondContact O-N 3.34Å; R490-I492 VanDerWaalsContact C-N 3.32Å; R490-F493 HydrophobicContact CB-CE1 3.86Å; R490-F493 HydrophobicContact CB-CZ 3.88Å; R490-F493 HydrophobicContact CG-CD1 4.48Å; R490-F493 HydrophobicContact CG-CE1 3.41Å; R490-F493 VanDerWaalsContact CG-CE1 3.41Å; R490-F493 HydrophobicContact CG-CZ 3.48Å; R490-F493 VanDerWaalsContact CG-CZ 3.48Å; R490-Q494 WeakPolarHBondContact O-CB 3.39Å; R490-Q494 WeakPolarHBondContact O-CG 3.43Å; R490-Q494 PolarHBondContact O-N 2.92Å; R490-Q494 VanDerWaalsContact O-N 3.09Å
491M98.1Very high94.9Very high0 Ų027.7 Ų27.70%013%0.129CC..Hα-helixtrans-63.7-38.2170.8-71.4-175-70.700112.1A451 W453 P454 L477 W487 V488 G495 F504A451-M491 WeakPolarHBondContact O-CA 3.29Å; A451-M491 WeakPolarHBondContact O-CG 3.33Å; W453-M491 HydrophobicContact CB-SD 4.33Å; P454-M491 VanDerWaalsContact CD-SD 3.55Å; P454-M491 HydrophobicContact CG-CB 4.03Å; P454-M491 HydrophobicContact CG-CG 3.89Å; P454-M491 HydrophobicContact CG-SD 3.41Å; P454-M491 WeakPolarHBondContact CG-SD 3.48Å; L477-M491 HydrophobicContact CD1-CE 3.88Å; L477-M491 HydrophobicContact CD1-SD 4.49Å; L477-M491 HydrophobicContact CD2-CE 3.33Å; L477-M491 HydrophobicContact CG-CE 4.26Å; W487-M491 HydrophobicContact CD2-CE 3.39Å; W487-M491 HydrophobicContact CD2-SD 4.12Å; W487-M491 VanDerWaalsContact CE2-CE 3.49Å; W487-M491 VanDerWaalsContact CE2-SD 3.55Å; W487-M491 HydrophobicContact CE3-CE 3.6Å; W487-M491 HydrophobicContact CG-CE 3.83Å; W487-M491 HydrophobicContact CH2-CE 3.9Å; W487-M491 HydrophobicContact CH2-SD 4.16Å; W487-M491 HydrophobicContact CZ2-CE 3.78Å; W487-M491 HydrophobicContact CZ2-SD 3.61Å; W487-M491 HydrophobicContact CZ3-CE 3.85Å; W487-M491 WeakPolarHBondContact O-CG 3.14Å; W487-M491 PolarHBondContact O-N 2.86Å; V488-M491 PolarHBondContact O-N 2.9Å; M491-G495 WeakPolarHBondContact O-CA 3.32Å; M491-G495 PolarHBondContact O-N 2.95Å; M491-F504 HydrophobicContact CB-CE1 3.83Å; M491-F504 HydrophobicContact CB-CZ 4.22Å; M491-F504 HydrophobicContact CE-CE1 4.01Å; M491-F504 HydrophobicContact CE-CZ 4.46Å; M491-F504 HydrophobicContact SD-CE1 4.21Å
492I98.1Very high95Very high0 Ų026.8 Ų26.80%013%0.126CC..Hα-helixtrans-60.9-55.8177.9-66.4171.1000110.4I380 F382 F391 V488 A489 R490 Q494 G495 L496 P503 F504I380-I492 HydrophobicContact CD1-CB 4.32Å; I380-I492 HydrophobicContact CD1-CD1 3.81Å; I380-I492 HydrophobicContact CD1-CG1 3.55Å; I380-I492 HydrophobicContact CD1-CG2 3.95Å; F382-I492 HydrophobicContact CZ-CD1 3.99Å; F391-I492 HydrophobicContact CD2-CD1 4.21Å; F391-I492 HydrophobicContact CE1-CD1 4.45Å; F391-I492 HydrophobicContact CE2-CD1 3.7Å; F391-I492 HydrophobicContact CZ-CB 4.47Å; F391-I492 HydrophobicContact CZ-CD1 3.83Å; F391-I492 HydrophobicContact CZ-CG2 4.06Å; V488-I492 HydrophobicContact CG1-CD1 4.03Å; V488-I492 VanDerWaalsContact O-CG1 3.3Å; V488-I492 WeakPolarHBondContact O-CG1 3.49Å; V488-I492 PolarHBondContact O-N 3.22Å; A489-I492 WeakPolarHBondContact O-CB 3.32Å; A489-I492 PolarHBondContact O-N 3.49Å; R490-I492 VanDerWaalsContact C-N 3.32Å; I492-Q494 PolarHBondContact O-N 3.32Å; I492-G495 PolarHBondContact O-N 3.5Å; I492-L496 HydrophobicContact CG2-CD1 3.87Å; I492-L496 WeakPolarHBondContact O-CB 3.49Å; I492-L496 VanDerWaalsContact O-CG 3.29Å; I492-L496 WeakPolarHBondContact O-CG 3.32Å; I492-L496 PolarHBondContact O-N 2.98Å; I492-P503 HydrophobicContact CG1-CG 4.32Å; I492-F504 HydrophobicContact CD1-CE2 4.19Å; I492-F504 HydrophobicContact CD1-CZ 4.36Å; I492-F504 HydrophobicContact CG1-CE2 3.84Å; I492-F504 HydrophobicContact CG1-CZ 3.72Å
493F96.4Very high95.3Very high4 Ų422.9 Ų22.92%0.01811%0.105CC..Hα-helixtrans-69.9-34.1-174.869.3-118.5000112.7M363 L366 S370 M395 W401 A489 R490 E497M363-F493 HydrophobicContact CE-CD1 3.59Å; M363-F493 HydrophobicContact CE-CD2 4.33Å; M363-F493 HydrophobicContact CE-CE1 3.24Å; M363-F493 HydrophobicContact CE-CE2 4.08Å; M363-F493 HydrophobicContact CE-CG 4.13Å; M363-F493 HydrophobicContact CE-CZ 3.54Å; M363-F493 HydrophobicContact SD-CE1 4.36Å; M363-F493 HydrophobicContact SD-CZ 4.13Å; L366-F493 HydrophobicContact CB-CB 4.17Å; L366-F493 HydrophobicContact CB-CD2 4.36Å; L366-F493 HydrophobicContact CB-CG 4.36Å; L366-F493 HydrophobicContact CD1-CD2 3.97Å; L366-F493 HydrophobicContact CD1-CE2 4.16Å; S370-F493 WeakPolarHBondContact OG-CA 3.49Å; S370-F493 VanDerWaalsContact OG-CB 3.22Å; S370-F493 WeakPolarHBondContact OG-CB 3.36Å; M395-F493 HydrophobicContact CE-CD1 4.24Å; W401-F493 AromaticContact CE3-CZ 3.99Å; W401-F493 HydrophobicContact CE3-CZ 3.99Å; W401-F493 HydrophobicContact CZ3-CE2 4.17Å; W401-F493 AromaticContact CZ3-CZ 3.73Å; W401-F493 HydrophobicContact CZ3-CZ 3.73Å; A489-F493 WeakPolarHBondContact O-CD1 3.47Å; A489-F493 PolarHBondContact O-N 3.49Å; A489-F493 VanDerWaalsContact O-N 3.09Å; R490-F493 HydrophobicContact CB-CE1 3.86Å; R490-F493 HydrophobicContact CB-CZ 3.88Å; R490-F493 HydrophobicContact CG-CD1 4.48Å; R490-F493 HydrophobicContact CG-CE1 3.41Å; R490-F493 VanDerWaalsContact CG-CE1 3.41Å; R490-F493 HydrophobicContact CG-CZ 3.48Å; R490-F493 VanDerWaalsContact CG-CZ 3.48Å; F493-E497 WeakPolarHBondContact O-CB 3.41Å; F493-E497 PolarHBondContact O-N 2.97Å
494Q96.9Very high95.6Very high3 Ų321.2 Ų21.21%0.01410%0.096CC..Hα-helixtrans-75.1-38.9176.5-67.9-166.80.600112.2A451 L452 F455 R490 I492 L496 E497 F498A451-Q494 HydrophobicContact CB-CG 4.11Å; L452-Q494 HydrophobicContact CD2-CB 4.35Å; F455-Q494 HydrophobicContact CZ-CB 4.48Å; R490-Q494 WeakPolarHBondContact O-CB 3.39Å; R490-Q494 WeakPolarHBondContact O-CG 3.43Å; R490-Q494 PolarHBondContact O-N 2.92Å; R490-Q494 VanDerWaalsContact O-N 3.09Å; I492-Q494 PolarHBondContact O-N 3.32Å; Q494-L496 PolarHBondContact O-N 3.48Å; Q494-E497 PolarHBondContact O-N 3.44Å; Q494-F498 HydrophobicContact CB-CD2 4.41Å; Q494-F498 WeakPolarHBondContact O-CD2 3.4Å; Q494-F498 PolarHBondContact O-N 3.03Å
495G97Very high95.8Very high0 Ų022.8 Ų22.80%011%0.105CC..Hα-helixtrans-57.5-49.7173.900000111.1M491 I492 E497 T499 R501M491-G495 WeakPolarHBondContact O-CA 3.32Å; M491-G495 PolarHBondContact O-N 2.95Å; I492-G495 PolarHBondContact O-N 3.5Å; G495-E497 PolarHBondContact O-N 3.01Å; G495-T499 WeakPolarHBondContact O-CB 3.35Å; G495-T499 PolarHBondContact O-N 3.37Å; G495-T499 PolarHBondContact O-OG1 2.97Å; G495-R501 CarbonylContact C-O 3.59Å
496L97.3Very high96.1Very high4 Ų421 Ų212%0.02110%0.098CC..Hα-helixtrans-60.5-45.7175.1-69.6168.9000111.5R369 N373 I492 Q494 F498 D500R369-L496 HydrophobicContact CG-CB 4.4Å; R369-L496 PolarHBondContact NH1-O 3.48Å; R369-L496 PolarHBondContact NH2-O 2.68Å; N373-L496 HydrophobicContact CB-CD1 3.75Å; N373-L496 HydrophobicContact CB-CD2 4.19Å; N373-L496 WeakPolarHBondContact OD1-CD2 3.4Å; I492-L496 HydrophobicContact CG2-CD1 3.87Å; I492-L496 WeakPolarHBondContact O-CB 3.49Å; I492-L496 VanDerWaalsContact O-CG 3.29Å; I492-L496 WeakPolarHBondContact O-CG 3.32Å; I492-L496 PolarHBondContact O-N 2.98Å; Q494-L496 PolarHBondContact O-N 3.48Å; L496-F498 PolarHBondContact O-N 3.17Å; L496-D500 WeakPolarHBondContact O-CA 3.37Å; L496-D500 PolarHBondContact O-N 2.96Å; L496-D500 VanDerWaalsContact O-N 3.1Å
497E96.9Very high96.8Very high28 Ų2819.8 Ų19.813%0.1319%0.092CC..Hα-helixtrans-64.5-38.5-176-178.555.2-162.500114.4L161 K164 L366 R369 F493 Q494 G495L161-E497 HydrophobicContact CD2-CG 4.09Å; K164-E497 IonicContact NZ-OE1 3.76Å; K164-E497 PolarHBondContact NZ-OE1 3.45Å; L366-E497 HydrophobicContact CD2-CB 3.96Å; L366-E497 HydrophobicContact CD2-CG 3.88Å; R369-E497 IonicContact CZ-OE2 2.66Å; R369-E497 IonicContact NH1-OE2 3.79Å; R369-E497 PolarHBondContact NH1-OE2 3.19Å; F493-E497 WeakPolarHBondContact O-CB 3.41Å; F493-E497 PolarHBondContact O-N 2.97Å; Q494-E497 PolarHBondContact O-N 3.44Å; G495-E497 PolarHBondContact O-N 3.01Å
498F96.7Very high96.9Very high28 Ų2819.7 Ų19.712%0.1239%0.092CC..Hα-helixtrans-102.7-13.6-172.1-73.5-74.5000114.9V157 D160 L161 F455 W460 Q494 L496V157-F498 HydrophobicContact CB-CE1 4.39Å; V157-F498 HydrophobicContact CB-CE2 4.14Å; V157-F498 HydrophobicContact CB-CZ 3.81Å; V157-F498 HydrophobicContact CG1-CE2 3.58Å; V157-F498 HydrophobicContact CG1-CZ 3.56Å; V157-F498 HydrophobicContact CG2-CD1 4.35Å; V157-F498 HydrophobicContact CG2-CD2 4.16Å; V157-F498 HydrophobicContact CG2-CE1 3.97Å; V157-F498 HydrophobicContact CG2-CE2 3.79Å; V157-F498 HydrophobicContact CG2-CG 4.43Å; V157-F498 HydrophobicContact CG2-CZ 3.67Å; D160-F498 HydrophobicContact CB-CE1 3.95Å; L161-F498 HydrophobicContact CD1-CE2 4.28Å; L161-F498 HydrophobicContact CD1-CZ 4.17Å; L161-F498 HydrophobicContact CD2-CE2 4.34Å; L161-F498 HydrophobicContact CD2-CZ 3.95Å; L161-F498 HydrophobicContact CG-CE2 4.34Å; L161-F498 HydrophobicContact CG-CZ 3.8Å; F455-F498 HydrophobicContact CE2-CB 4.43Å; F455-F498 HydrophobicContact CZ-CB 4.44Å; W460-F498 HydrophobicContact CH2-CB 4.44Å; W460-F498 AromaticContact CH2-CD1 3.95Å; W460-F498 HydrophobicContact CH2-CD1 3.95Å; W460-F498 HydrophobicContact CH2-CE1 4.47Å; W460-F498 HydrophobicContact CH2-CG 4.21Å; W460-F498 HydrophobicContact CZ2-CB 3.88Å; W460-F498 AromaticContact CZ2-CD1 3.78Å; W460-F498 HydrophobicContact CZ2-CD1 3.78Å; W460-F498 HydrophobicContact CZ2-CG 4.04Å; Q494-F498 HydrophobicContact CB-CD2 4.41Å; Q494-F498 WeakPolarHBondContact O-CD2 3.4Å; Q494-F498 PolarHBondContact O-N 3.03Å; L496-F498 PolarHBondContact O-N 3.17Å
499T95.1Very high96.9Very high17 Ų1719.7 Ų19.710%0.1049%0.092CC..Hα-helixtrans-128-6.1-176780000114.3F455 F468 Y472 G495 R501F455-T499 HydrophobicContact CB-CG2 4.48Å; F455-T499 HydrophobicContact CD1-CG2 4.39Å; F455-T499 HydrophobicContact CD2-CG2 4.39Å; F455-T499 HydrophobicContact CG-CG2 4.19Å; F468-T499 HydrophobicContact CE2-CG2 4.25Å; F468-T499 HydrophobicContact CZ-CG2 4.13Å; Y472-T499 HydrophobicContact CE1-CG2 3.75Å; Y472-T499 VanDerWaalsContact CE1-OG1 3.23Å; Y472-T499 WeakPolarHBondContact CE1-OG1 3.47Å; Y472-T499 PolarHBondContact OH-OG1 3.24Å; G495-T499 WeakPolarHBondContact O-CB 3.35Å; G495-T499 PolarHBondContact O-N 3.37Å; G495-T499 PolarHBondContact O-OG1 2.97Å; T499-R501 PolarHBondContact O-N 3.48Å; T499-R501 PolarHBondContact OG1-N 3.43Å; T499-R501 PolarHBondContact OG1-O 3.12Å
500D93.6Very high96.9Very high119 Ų11920.3 Ų20.364%0.63610%0.095SC*.SBendtrans55.615.7-174.1-60.7-52.3000114.6R369 L496R369-D500 IonicContact CZ-OD1 3.79Å; R369-D500 IonicContact NH1-OD1 2.68Å; R369-D500 IonicContact NH2-OD1 3.11Å; R369-D500 PolarHBondContact NH2-OD1 3.33Å; L496-D500 WeakPolarHBondContact O-CA 3.37Å; L496-D500 PolarHBondContact O-N 2.96Å; L496-D500 VanDerWaalsContact O-N 3.1Å
501R94.2Very high96.8Very high95 Ų9519.8 Ų19.836%0.3589%0.093SC..SBendtrans-133.5153.6-179.4-65.2-171.6-74.7166.7-2.3110.1Y472 G495 T499Y472-R501 HydrophobicContact CE1-CB 4.19Å; Y472-R501 PolarHBondContact O-NH1 3.1Å; Y472-R501 PolarHBondContact O-NH2 3.48Å; Y472-R501 PolarHBondContact OH-O 2.99Å; G495-R501 CarbonylContact C-O 3.59Å; T499-R501 PolarHBondContact O-N 3.48Å; T499-R501 PolarHBondContact OG1-N 3.43Å; T499-R501 PolarHBondContact OG1-O 3.12Å
502R96.7Very high96.6Very high43 Ų4321.8 Ų21.816%0.16210%0.104CC..  trans-56.2144.1169.467.5-175.1-177.8-151.5-9.5111.5D378 R379 I380 Y472 P473 F504 N505D378-R502 WeakPolarHBondContact O-CD 3.47Å; D378-R502 WeakPolarHBondContact OD1-CD 3.36Å; D378-R502 IonicContact OD1-CZ 2.84Å; D378-R502 IonicContact OD1-NE 2.72Å; D378-R502 PolarHBondContact OD1-NE 2.96Å; D378-R502 IonicContact OD1-NH1 3.95Å; D378-R502 PolarHBondContact OD2-N 2.96Å; R379-R502 WeakPolarHBondContact O-CD 3.49Å; R379-R502 PolarHBondContact O-NH1 3.46Å; I380-R502 HydrophobicContact CD1-CB 4.12Å; I380-R502 HydrophobicContact CG1-CB 3.86Å; Y472-R502 PolarHBondContact OH-O 3.49Å; P473-R502 WeakPolarHBondContact CB-O 3.45Å; R502-F504 WeakPolarHBondContact CD-O 3.45Å; R502-F504 WeakPolarHBondContact CG-O 3.31Å; R502-N505 PolarHBondContact NE-OD1 3.32Å; R502-N505 VanDerWaalsContact NH2-CG 3.31Å; R502-N505 PolarHBondContact NH2-OD1 3.02Å
503P97.8Very high96.4Very high0 Ų022.5 Ų22.50%011%0.108CC..SBendtrans-72.7-27.9177.828.9-37.7000114.6I380 P454 Y472 T474 I492I380-P503 HydrophobicContact CD1-CG 4.47Å; P454-P503 HydrophobicContact CB-CB 3.85Å; P454-P503 HydrophobicContact CG-CB 3.84Å; Y472-P503 HydrophobicContact CE2-CB 4.42Å; Y472-P503 WeakPolarHBondContact OH-CA 3.23Å; T474-P503 PolarHBondContact N-O 2.91Å; T474-P503 PolarHBondContact OG1-O 3.16Å; I492-P503 HydrophobicContact CG1-CG 4.32Å
504F98.1Very high96.2Very high0 Ų024.7 Ų24.70%012%0.116CC..EExtended strand (participates in β ladder)trans-147.9152.6-179.327.1-96.2000110I380 P454 T474 L477 V488 M491 I492 R502 V507I380-F504 HydrophobicContact CD1-CD2 4.27Å; I380-F504 HydrophobicContact CD1-CE2 4Å; I380-F504 HydrophobicContact CG2-CD2 3.63Å; I380-F504 HydrophobicContact CG2-CE2 3.82Å; P454-F504 HydrophobicContact CG-CD1 4.32Å; P454-F504 HydrophobicContact CG-CE1 4.28Å; T474-F504 CarbonylContact O-C 3.52Å; T474-F504 WeakPolarHBondContact O-CA 3.43Å; T474-F504 WeakPolarHBondContact OG1-CB 3.13Å; L477-F504 HydrophobicContact CB-CB 4.24Å; L477-F504 HydrophobicContact CB-CD1 3.8Å; L477-F504 HydrophobicContact CB-CD2 4.23Å; L477-F504 HydrophobicContact CB-CE1 4.2Å; L477-F504 HydrophobicContact CB-CG 3.82Å; L477-F504 HydrophobicContact CD2-CD1 4.1Å; L477-F504 HydrophobicContact CD2-CE1 3.61Å; L477-F504 HydrophobicContact CD2-CE2 4.27Å; L477-F504 HydrophobicContact CD2-CZ 3.69Å; L477-F504 HydrophobicContact CG-CD1 4.39Å; L477-F504 HydrophobicContact CG-CE1 4.36Å; V488-F504 HydrophobicContact CG1-CE2 4.17Å; V488-F504 HydrophobicContact CG1-CZ 3.92Å; M491-F504 HydrophobicContact CB-CE1 3.83Å; M491-F504 HydrophobicContact CB-CZ 4.22Å; M491-F504 HydrophobicContact CE-CE1 4.01Å; M491-F504 HydrophobicContact CE-CZ 4.46Å; M491-F504 HydrophobicContact SD-CE1 4.21Å; I492-F504 HydrophobicContact CD1-CE2 4.19Å; I492-F504 HydrophobicContact CD1-CZ 4.36Å; I492-F504 HydrophobicContact CG1-CE2 3.84Å; I492-F504 HydrophobicContact CG1-CZ 3.72Å; R502-F504 WeakPolarHBondContact CD-O 3.45Å; R502-F504 WeakPolarHBondContact CG-O 3.31Å; F504-V507 HydrophobicContact CD2-CG2 3.36Å; F504-V507 HydrophobicContact CE2-CG2 3.15Å; F504-V507 HydrophobicContact CG-CG2 4.48Å; F504-V507 HydrophobicContact CZ-CG2 4.14Å
505N97.9Very high95.8Very high36 Ų3625 Ų2519%0.19312%0.12CC..EExtended strand (participates in β ladder)trans-76.1-52.9172.5-52-29.8000110.9I380 D381 T474 N475 R502I380-N505 WeakPolarHBondContact CA-O 3.47Å; D381-N505 PolarHBondContact N-O 2.86Å; T474-N505 PolarHBondContact O-N 3.41Å; T474-N505 VanDerWaalsContact O-N 3.1Å; N475-N505 WeakPolarHBondContact O-CB 3.49Å; R502-N505 PolarHBondContact NE-OD1 3.32Å; R502-N505 VanDerWaalsContact NH2-CG 3.31Å; R502-N505 PolarHBondContact NH2-OD1 3.02Å
506D98.2Very high95.3Very high24 Ų2431.4 Ų31.413%0.12815%0.149CC..EExtended strand (participates in β ladder)trans-112.6146.7-176.4-62.3-16.5000112D381 Y383 N475 A476 L477 Y625D381-D506 CarbonylContact O-C 3.47Å; D381-D506 WeakPolarHBondContact O-CA 3.37Å; Y383-D506 HydrophobicContact CD2-CB 4.13Å; Y383-D506 HydrophobicContact CE2-CB 3.83Å; N475-D506 PolarHBondContact O-N 3.38Å; N475-D506 VanDerWaalsContact O-N 3.09Å; A476-D506 CarbonylContact C-O 3.51Å; A476-D506 WeakPolarHBondContact CA-O 3.27Å; A476-D506 HydrophobicContact CB-CB 4.31Å; L477-D506 PolarHBondContact N-O 2.81Å; D506-Y625 HydrophobicContact CB-CE2 4.24Å; D506-Y625 WeakPolarHBondContact OD2-CE2 3.24Å; D506-Y625 PolarHBondContact OD2-OH 2.79Å
507V98.3Very high94.7Very high0 Ų036 Ų360%017%0.174CC..EExtended strand (participates in β ladder)trans-118.7103.4166.7-1750000109.1I380 D381 F382 Y383 L477 V488 F504 L509I380-V507 HydrophobicContact CG2-CG2 3.56Å; D381-V507 PolarHBondContact O-N 3.16Å; F382-V507 HydrophobicContact CD1-CB 3.97Å; F382-V507 HydrophobicContact CD1-CG1 4.16Å; F382-V507 HydrophobicContact CD1-CG2 4.45Å; F382-V507 HydrophobicContact CE1-CB 4.21Å; F382-V507 HydrophobicContact CE1-CG1 4.24Å; F382-V507 HydrophobicContact CE1-CG2 4.26Å; F382-V507 HydrophobicContact CG-CB 4.44Å; Y383-V507 PolarHBondContact N-O 2.72Å; L477-V507 HydrophobicContact CD2-CG1 4.42Å; L477-V507 CarbonylContact O-C 3.46Å; L477-V507 WeakPolarHBondContact O-CA 3.49Å; V488-V507 HydrophobicContact CG1-CG1 3.97Å; V488-V507 HydrophobicContact CG1-CG2 4.06Å; V488-V507 HydrophobicContact CG2-CG1 4.43Å; F504-V507 HydrophobicContact CD2-CG2 3.36Å; F504-V507 HydrophobicContact CE2-CG2 3.15Å; F504-V507 HydrophobicContact CG-CG2 4.48Å; F504-V507 HydrophobicContact CZ-CG2 4.14Å; V507-L509 HydrophobicContact CG1-CD1 4.32Å; V507-L509 HydrophobicContact CG1-CD2 3.83Å; V507-L509 HydrophobicContact CG1-CG 3.84Å
508L98.1Very high94.1Very high3 Ų336 Ų362%0.01618%0.181CC..EExtended strand (participates in β ladder)trans-88.8108.9173.9177.461000110.3I64 L477 V478 T479 P553 Y625 F627I64-L508 HydrophobicContact CD1-CD2 4.07Å; L477-L508 PolarHBondContact O-N 3.06Å; V478-L508 WeakPolarHBondContact CA-O 3.34Å; V478-L508 HydrophobicContact CG1-CB 4.43Å; V478-L508 HydrophobicContact CG1-CD2 4.1Å; V478-L508 HydrophobicContact CG1-CG 4.28Å; V478-L508 HydrophobicContact CG2-CB 4.19Å; V478-L508 HydrophobicContact CG2-CD2 4.13Å; T479-L508 PolarHBondContact N-O 3.09Å; L508-P553 HydrophobicContact CD1-CB 4Å; L508-P553 HydrophobicContact CD1-CG 4.18Å; L508-Y625 HydrophobicContact CD1-CD2 4.27Å; L508-Y625 HydrophobicContact CD1-CG 4Å; L508-Y625 HydrophobicContact CD2-CD1 3.83Å; L508-Y625 HydrophobicContact CD2-CG 3.88Å; L508-Y625 HydrophobicContact CG-CG 4.39Å; L508-F627 HydrophobicContact CD2-CE2 4.2Å
509L97.8Very high93.5Very high0 Ų042.3 Ų42.30%020%0.204CC..EExtended strand (participates in β ladder)trans-99.2117.5179.2-64.2168.6000110.4F382 Y383 F387 T479 I484 V507 G554F382-L509 HydrophobicContact CD1-CD1 4.09Å; Y383-L509 PolarHBondContact O-N 2.73Å; F387-L509 HydrophobicContact CB-CD1 3.33Å; F387-L509 HydrophobicContact CD1-CD1 4.03Å; F387-L509 HydrophobicContact CD2-CB 3.79Å; F387-L509 HydrophobicContact CD2-CD1 3.38Å; F387-L509 HydrophobicContact CD2-CG 4.22Å; F387-L509 HydrophobicContact CE2-CB 3.8Å; F387-L509 HydrophobicContact CE2-CD1 4.1Å; F387-L509 HydrophobicContact CG-CD1 3.33Å; T479-L509 HydrophobicContact CG2-CD2 3.67Å; T479-L509 VanDerWaalsContact O-CA 3.29Å; T479-L509 WeakPolarHBondContact O-CA 3.44Å; I484-L509 HydrophobicContact CD1-CD1 3.51Å; I484-L509 HydrophobicContact CD1-CD2 4.32Å; I484-L509 HydrophobicContact CG1-CD1 3.79Å; I484-L509 HydrophobicContact CG1-CD2 3.82Å; I484-L509 HydrophobicContact CG1-CG 4.47Å; V507-L509 HydrophobicContact CG1-CD1 4.32Å; V507-L509 HydrophobicContact CG1-CD2 3.83Å; V507-L509 HydrophobicContact CG1-CG 3.84Å; L509-G554 VanDerWaalsContact O-CA 3.29Å; L509-G554 WeakPolarHBondContact O-CA 3.35Å; L509-G554 PolarHBondContact O-N 2.72Å
510H96.3Very high92.7Very high12 Ų1248 Ų486%0.05623%0.228CC..EExtended strand (participates in β ladder)trans-96.4167.1169.463.975000111.3W56 D57 L60 T479 G480 Y481W56-H510 AromaticContact CE3-ND1 3.84Å; W56-H510 HydrophobicContact CH2-CB 4.13Å; W56-H510 HydrophobicContact CZ2-CB 3.97Å; W56-H510 HydrophobicContact CZ3-CB 4.48Å; D57-H510 VanDerWaalsContact CB-NE2 3.35Å; D57-H510 WeakPolarHBondContact CB-NE2 2.98Å; D57-H510 IonicContact OD1-CD2 2.67Å; D57-H510 IonicContact OD1-NE2 3.18Å; D57-H510 PolarHBondContact OD1-NE2 3.46Å; L60-H510 HydrophobicContact CD1-CB 3.94Å; T479-H510 VanDerWaalsContact C-CD2 3.46Å; T479-H510 PolarHBondContact O-CD2 3.36Å; T479-H510 PolarHBondContact O-N 3.12Å; G480-H510 PolarHBondContact N-CE1 3.01Å; G480-H510 PolarHBondContact N-NE2 3.08Å; Y481-H510 WeakPolarHBondContact CD1-O 3.38Å; Y481-H510 PolarHBondContact N-O 2.79Å; Y481-H510 VanDerWaalsContact N-O 3.15Å
511G94Very high92.1Very high0 Ų044 Ų440%021%0.206CC..  trans-77.7-167.3175.100000113.4W56 H555W56-G511 VanDerWaalsContact CZ3-C 3.46Å; W56-G511 WeakPolarHBondContact CZ3-O 3.49Å; G511-H555 WeakPolarHBondContact CA-O 3.28Å
512L93.6Very high91Very high42 Ų4241 Ų4122%0.2220%0.199CC..  trans-101146.1171.5-58.2-179.9000110.6Y481 D482 R514 D556 L557Y481-L512 HydrophobicContact CE1-CG 4.38Å; Y481-L512 HydrophobicContact CE2-CD1 4.16Å; Y481-L512 HydrophobicContact CE2-CG 4.21Å; D482-L512 HydrophobicContact CB-CD1 4.46Å; D482-L512 HydrophobicContact CB-CD2 4.2Å; L512-R514 PolarHBondContact O-N 3.22Å; L512-D556 PolarHBondContact N-OD1 3.46Å; L512-D556 VanDerWaalsContact O-CA 3.32Å; L512-D556 WeakPolarHBondContact O-CA 3.05Å; L512-D556 WeakPolarHBondContact O-CB 3.43Å; L512-L557 PolarHBondContact O-N 3.43Å; L512-L557 VanDerWaalsContact O-N 3.08Å
513V93.1Very high89.5Confident14 Ų1448.6 Ų48.69%0.08523%0.233CC..EExtended strand (participates in β ladder)trans-76.8126.3172.1-162.90000109.1L52 W56 M521 L557L52-V513 HydrophobicContact CB-CG1 4.32Å; L52-V513 HydrophobicContact CB-CG2 4.43Å; W56-V513 HydrophobicContact CB-CG2 4.35Å; W56-V513 HydrophobicContact CD2-CG2 4.35Å; W56-V513 HydrophobicContact CE3-CG2 3.52Å; W56-V513 HydrophobicContact CZ3-CG2 4.17Å; V513-M521 HydrophobicContact CB-CE 3.46Å; V513-M521 VanDerWaalsContact CB-CE 3.46Å; V513-M521 HydrophobicContact CG1-CE 3.23Å; V513-M521 WeakPolarHBondContact O-CE 3.34Å; V513-L557 CarbonylContact C-O 3.56Å; V513-L557 WeakPolarHBondContact CA-O 2.94Å
514R92.3Very high87.8Confident50 Ų5054 Ų5419%0.18927%0.271CS..EExtended strand (participates in β ladder)trans-110.1156.3178.7-57.6-63.3-176.4175-1.8110.2Y481 L512 R519 D556 L557 R558 Y559Y481-R514 PolarHBondContact OH-NH2 3.23Å; L512-R514 PolarHBondContact O-N 3.22Å; R514-R519 WeakPolarHBondContact CA-O 3.47Å; R514-R519 WeakPolarHBondContact CB-O 3.31Å; R514-D556 HydrophobicContact CG-CB 4.02Å; R514-D556 IonicContact CZ-OD2 3.7Å; R514-D556 IonicContact NE-OD2 2.77Å; R514-D556 PolarHBondContact NE-OD2 3.19Å; R514-D556 IonicContact NH2-OD2 3.54Å; R514-D556 PolarHBondContact NH2-OD2 3.04Å; R514-L557 PolarHBondContact N-O 3.05Å; R514-R558 HydrophobicContact CB-CG 4.44Å; R514-Y559 PolarHBondContact O-N 3.25Å
515A89.7Confident86.4Confident11 Ų1158.7 Ų58.79%0.09130%0.295CS..  trans-64.6168.5167.900000110.5D517 G518 R519 M521 N527A515-D517 WeakPolarHBondContact CB-OD1 3.3Å; A515-D517 PolarHBondContact O-N 3.32Å; A515-G518 WeakPolarHBondContact O-CA 3.48Å; A515-G518 PolarHBondContact O-N 2.59Å; A515-R519 PolarHBondContact N-O 2.79Å; A515-M521 HydrophobicContact CB-CG 4.04Å; A515-N527 HydrophobicContact CB-CB 4.27Å; A515-N527 WeakPolarHBondContact CB-ND2 3.33Å
516E85.9Confident85.4Confident134 Ų13460.3 Ų60.363%0.62632%0.321SS*.THydrogen-bonded Turntrans-58.8-32.9-177.6-169.5169.3-152.900112.8G518 Y559E516-G518 PolarHBondContact O-N 3.31Å; E516-Y559 WeakPolarHBondContact CA-O 3.47Å
517D84.4Confident84.7Confident99 Ų9960.9 Ų60.953%0.52932%0.324SS..THydrogen-bonded Turntrans-77.70.1175.172.4-8.3000114.2A515 R519A515-D517 WeakPolarHBondContact CB-OD1 3.3Å; A515-D517 PolarHBondContact O-N 3.32Å; D517-R519 VanDerWaalsContact C-N 3.35Å; D517-R519 VanDerWaalsContact OD1-CB 3.29Å; D517-R519 WeakPolarHBondContact OD1-CB 3.47Å; D517-R519 WeakPolarHBondContact OD1-CG 3.33Å; D517-R519 PolarHBondContact OD1-N 3.02Å; D517-R519 WeakPolarHBondContact OD2-CD 3.26Å; D517-R519 WeakPolarHBondContact OD2-CG 3.39Å; D517-R519 IonicContact OD2-NE 2.76Å; D517-R519 PolarHBondContact OD2-NE 2.65Å
518G84.4Confident83.9Confident28 Ų2863.1 Ų63.129%0.28935%0.347SS..SBendtrans84.3-1.6-178.900000115A515 E516A515-G518 WeakPolarHBondContact O-CA 3.48Å; A515-G518 PolarHBondContact O-N 2.59Å; E516-G518 PolarHBondContact O-N 3.31Å
519R83.1Confident83.4Confident162 Ų16265 Ų6561%0.61136%0.358SS*.PPolyproline II helixtrans-75159.8178.1-63.7-177.4-176.9179.7-1111.6R514 A515 D517 M521R514-R519 WeakPolarHBondContact CA-O 3.47Å; R514-R519 WeakPolarHBondContact CB-O 3.31Å; A515-R519 PolarHBondContact N-O 2.79Å; D517-R519 VanDerWaalsContact C-N 3.35Å; D517-R519 VanDerWaalsContact OD1-CB 3.29Å; D517-R519 WeakPolarHBondContact OD1-CB 3.47Å; D517-R519 WeakPolarHBondContact OD1-CG 3.33Å; D517-R519 PolarHBondContact OD1-N 3.02Å; D517-R519 WeakPolarHBondContact OD2-CD 3.26Å; D517-R519 WeakPolarHBondContact OD2-CG 3.39Å; D517-R519 IonicContact OD2-NE 2.76Å; D517-R519 PolarHBondContact OD2-NE 2.65Å; R519-M521 PolarHBondContact O-N 3.44Å
520K80.2Confident83Confident137 Ų13767 Ų6760%0.59637%0.369SS*.BIsolated β-bridgetrans-58.3134.7170.2-171.3175.2-179.5175.20109L525 N527K520-L525 WeakPolarHBondContact O-CD1 3.47Å; K520-N527 PolarHBondContact O-ND2 3.46Å
521M80.9Confident82.9Confident35 Ų3566.7 Ų66.717%0.17237%0.368CS..PPolyproline II helixtrans-75.5129.9169.4-76.7-169.4-72.600109.8L52 V513 A515 R519 N527 V529L52-M521 HydrophobicContact CB-CE 4.22Å; L52-M521 HydrophobicContact CD1-CE 4.01Å; L52-M521 HydrophobicContact CD1-SD 4.23Å; V513-M521 HydrophobicContact CB-CE 3.46Å; V513-M521 VanDerWaalsContact CB-CE 3.46Å; V513-M521 HydrophobicContact CG1-CE 3.23Å; V513-M521 WeakPolarHBondContact O-CE 3.34Å; A515-M521 HydrophobicContact CB-CG 4.04Å; R519-M521 PolarHBondContact O-N 3.44Å; M521-N527 WeakPolarHBondContact CA-OD1 3.36Å; M521-N527 WeakPolarHBondContact CG-O 3.38Å; M521-V529 HydrophobicContact SD-CG2 4.5Å
522S70Confident82.9Confident30 Ų3068.8 Ų68.821%0.2138%0.378CS..  trans-151.2156.4172.577.20000111.3S524 L525 G526 N527S522-S524 VanDerWaalsContact C-N 3.26Å; S522-S524 PolarHBondContact O-N 2.73Å; S522-S524 PolarHBondContact OG-N 2.81Å; S522-S524 PolarHBondContact OG-OG 3.37Å; S522-L525 PolarHBondContact O-N 3.08Å; S522-L525 WeakPolarHBondContact OG-CB 3.04Å; S522-L525 WeakPolarHBondContact OG-CG 3.41Å; S522-L525 PolarHBondContact OG-N 2.84Å; S522-G526 PolarHBondContact O-N 3.14Å; S522-N527 PolarHBondContact N-OD1 3.13Å; S522-N527 PolarHBondContact O-OD1 2.71Å
523K65.3Low82.9Confident203 Ų20371.8 Ų71.888%0.88340%0.395SS*.THydrogen-bonded Turntrans-61.3-36.7170-74.6-174.2177.1-178.40111.8L525 G526K523-L525 VanDerWaalsContact C-N 3.31Å; K523-L525 PolarHBondContact O-N 3.05Å; K523-G526 PolarHBondContact O-N 3.4Å
524S62.6Low83Confident114 Ų11471.4 Ų71.480%0.79739%0.392SS*.THydrogen-bonded Turntrans-66.4-30.8-179.2550000113.4S522 G526S522-S524 VanDerWaalsContact C-N 3.26Å; S522-S524 PolarHBondContact O-N 2.73Å; S522-S524 PolarHBondContact OG-N 2.81Å; S522-S524 PolarHBondContact OG-OG 3.37Å; S524-G526 VanDerWaalsContact C-N 3.34Å
525L69.7Low83.2Confident98 Ų9869.1 Ų69.151%0.51338%0.384SS..THydrogen-bonded Turntrans-87-4.6176.9-69.6171000113K520 S522 K523 N527K520-L525 WeakPolarHBondContact O-CD1 3.47Å; S522-L525 PolarHBondContact O-N 3.08Å; S522-L525 WeakPolarHBondContact OG-CB 3.04Å; S522-L525 WeakPolarHBondContact OG-CG 3.41Å; S522-L525 PolarHBondContact OG-N 2.84Å; K523-L525 VanDerWaalsContact C-N 3.31Å; K523-L525 PolarHBondContact O-N 3.05Å; L525-N527 WeakPolarHBondContact CB-OD1 3.48Å; L525-N527 PolarHBondContact O-N 2.9Å; L525-N527 VanDerWaalsContact O-N 3.13Å
526G76.4Confident83.5Confident70 Ų7072.6 Ų72.672%0.72240%0.401SS*.THydrogen-bonded Turntrans63.115.5-178.900000114.3S522 K523 S524S522-G526 PolarHBondContact O-N 3.14Å; K523-G526 PolarHBondContact O-N 3.4Å; S524-G526 VanDerWaalsContact C-N 3.34Å
527N83.3Confident84Confident37 Ų3772.4 Ų72.420%0.19840%0.4CS..  trans-11011.8-176.769.3-12.2000112.8A515 K520 M521 S522 L525A515-N527 HydrophobicContact CB-CB 4.27Å; A515-N527 WeakPolarHBondContact CB-ND2 3.33Å; K520-N527 PolarHBondContact O-ND2 3.46Å; M521-N527 WeakPolarHBondContact CA-OD1 3.36Å; M521-N527 WeakPolarHBondContact CG-O 3.38Å; S522-N527 PolarHBondContact N-OD1 3.13Å; S522-N527 PolarHBondContact O-OD1 2.71Å; L525-N527 WeakPolarHBondContact CB-OD1 3.48Å; L525-N527 PolarHBondContact O-N 2.9Å; L525-N527 VanDerWaalsContact O-N 3.13Å
528G81.6Confident84.6Confident47 Ų4769 Ų6949%0.48538%0.38SS..  trans-76.3135.7176.100000111.5
529V87.8Confident85.3Confident42 Ų4267.6 Ų67.626%0.25537%0.366SS..  trans-110.6126.9175.7178.20000108.7L52 M521 V534 Y559L52-V529 HydrophobicContact CD1-CB 3.7Å; L52-V529 HydrophobicContact CD1-CG1 3.95Å; L52-V529 HydrophobicContact CG-CB 4.45Å; M521-V529 HydrophobicContact SD-CG2 4.5Å; V529-V534 HydrophobicContact CG1-CG2 3.47Å; V529-V534 VanDerWaalsContact CG1-CG2 3.47Å; V529-Y559 HydrophobicContact CB-CE1 4.46Å; V529-Y559 HydrophobicContact CG1-CE1 4.12Å; V529-Y559 HydrophobicContact CG1-CE2 4.34Å; V529-Y559 HydrophobicContact CG2-CD1 3.96Å; V529-Y559 HydrophobicContact CG2-CE1 3.85Å
530D89.8Confident86Confident43 Ų4359.9 Ų59.923%0.2334%0.337CS..  trans-78.8124.4174.3-166.2-37.9000108.8M532 D533 V534D530-M532 PolarHBondContact O-N 3.33Å; D530-M532 WeakPolarHBondContact OD1-CB 3.36Å; D530-M532 WeakPolarHBondContact OD1-CG 3.18Å; D530-M532 PolarHBondContact OD1-N 3Å; D530-D533 HydrophobicContact CB-CB 4.47Å; D530-D533 PolarHBondContact O-N 2.8Å; D530-V534 PolarHBondContact O-N 3.44Å
531P93.1Very high86.9Confident4 Ų453.4 Ų53.43%0.02631%0.308CS..Hα-helixtrans-56.4-31.1176.222.7-33.8000112.8L52 A55 V534 I535 L543L52-P531 HydrophobicContact CD2-CB 4.15Å; A55-P531 HydrophobicContact CB-CB 4.24Å; P531-V534 PolarHBondContact O-N 2.65Å; P531-I535 VanDerWaalsContact O-CG1 3.23Å; P531-I535 WeakPolarHBondContact O-CG1 3.2Å; P531-I535 PolarHBondContact O-N 3.13Å; P531-L543 HydrophobicContact CB-CD2 3.95Å
532M93.8Very high87.7Confident45 Ų4551.7 Ų51.722%0.22230%0.3CS..Hα-helixtrans-65.4-40-179.6-63.8-62.5-66.600112.2Q129 K132 D530 V534 I535 D536Q129-M532 HydrophobicContact CB-SD 4.44Å; Q129-M532 HydrophobicContact CG-CG 4.14Å; Q129-M532 HydrophobicContact CG-SD 3.9Å; K132-M532 HydrophobicContact CB-CE 3.87Å; K132-M532 HydrophobicContact CB-SD 3.84Å; K132-M532 HydrophobicContact CD-CE 3.94Å; K132-M532 HydrophobicContact CG-CE 3.61Å; K132-M532 HydrophobicContact CG-SD 3.81Å; D530-M532 PolarHBondContact O-N 3.33Å; D530-M532 WeakPolarHBondContact OD1-CB 3.36Å; D530-M532 WeakPolarHBondContact OD1-CG 3.18Å; D530-M532 PolarHBondContact OD1-N 3Å; M532-V534 VanDerWaalsContact C-N 3.32Å; M532-V534 PolarHBondContact O-N 3.37Å; M532-I535 PolarHBondContact O-N 3Å; M532-D536 PolarHBondContact O-N 3.44Å
533D93.7Very high89.1Confident105 Ų10550.3 Ų50.356%0.56129%0.29SS*.Hα-helixtrans-63.8-41.3178.1-64.9-21000110.5D530 D536 E537D530-D533 HydrophobicContact CB-CB 4.47Å; D530-D533 PolarHBondContact O-N 2.8Å; D533-D536 PolarHBondContact O-N 2.85Å; D533-E537 PolarHBondContact O-N 2.91Å; D533-E537 VanDerWaalsContact O-N 3.15Å
534V95.7Very high90.6Very high6 Ų640.6 Ų40.64%0.03625%0.248CC..Hα-helixtrans-65.1-40.6177-173.10000111.3V529 D530 P531 M532 E537 Y538 L543 Y559 V564V529-V534 HydrophobicContact CG1-CG2 3.47Å; V529-V534 VanDerWaalsContact CG1-CG2 3.47Å; D530-V534 PolarHBondContact O-N 3.44Å; P531-V534 PolarHBondContact O-N 2.65Å; M532-V534 VanDerWaalsContact C-N 3.32Å; M532-V534 PolarHBondContact O-N 3.37Å; V534-E537 PolarHBondContact O-N 3.29Å; V534-Y538 HydrophobicContact CG1-CD2 4.21Å; V534-Y538 PolarHBondContact O-N 3.2Å; V534-L543 HydrophobicContact CG1-CB 4.41Å; V534-L543 HydrophobicContact CG1-CD1 4.06Å; V534-Y559 HydrophobicContact CG2-CE2 4.32Å; V534-Y559 VanDerWaalsContact CG2-OH 3.28Å; V534-Y559 WeakPolarHBondContact CG2-OH 3.36Å; V534-V564 HydrophobicContact CG1-CG1 3.86Å
535I96.9Very high92.3Very high2 Ų235.7 Ų35.71%0.0121%0.212CC..Hα-helixtrans-66.4-41.7177.1-65.5167.4000110.8K132 L133 P531 M532 E537 G539 A540 L543K132-I535 HydrophobicContact CB-CD1 4.43Å; K132-I535 HydrophobicContact CD-CG2 4.18Å; K132-I535 HydrophobicContact CG-CB 4.42Å; K132-I535 HydrophobicContact CG-CD1 3.81Å; K132-I535 HydrophobicContact CG-CG2 3.82Å; L133-I535 HydrophobicContact CD2-CD1 3.85Å; L133-I535 HydrophobicContact CG-CD1 4.24Å; P531-I535 VanDerWaalsContact O-CG1 3.23Å; P531-I535 WeakPolarHBondContact O-CG1 3.2Å; P531-I535 PolarHBondContact O-N 3.13Å; M532-I535 PolarHBondContact O-N 3Å; I535-E537 PolarHBondContact O-N 3.06Å; I535-G539 WeakPolarHBondContact O-CA 3.47Å; I535-G539 PolarHBondContact O-N 3.36Å; I535-A540 HydrophobicContact CG1-CB 4.4Å; I535-A540 HydrophobicContact CG2-CB 4.05Å; I535-L543 HydrophobicContact CD1-CD2 4.1Å; I535-L543 HydrophobicContact CG1-CB 4.45Å; I535-L543 HydrophobicContact CG1-CD2 3.75Å
536D95.3Very high93.7Very high83 Ų8331.2 Ų31.244%0.44419%0.189SC..Hα-helixtrans-66.2-28.9-179.5-76.3-16.4000112.3K132 M532 D533K132-D536 WeakPolarHBondContact CE-OD1 3.29Å; K132-D536 IonicContact NZ-OD1 3.88Å; K132-D536 PolarHBondContact NZ-OD1 3.27Å; M532-D536 PolarHBondContact O-N 3.44Å; D533-D536 PolarHBondContact O-N 2.85Å
537E95.8Very high94.7Very high131 Ų13127.9 Ų27.961%0.61215%0.154SC*.Hα-helixtrans-85.6-48.3176.4-171.2168.6-169.200113.6D533 V534 I535D533-E537 PolarHBondContact O-N 2.91Å; D533-E537 VanDerWaalsContact O-N 3.15Å; V534-E537 PolarHBondContact O-N 3.29Å; I535-E537 PolarHBondContact O-N 3.06Å
538Y97.7Very high95.3Very high26 Ų2626.3 Ų26.310%0.10215%0.146CC..Hα-helixtrans-115.6-5.9-170.2-60.5-76.3000114.6V534 S542 T561 V564 E565 W568V534-Y538 HydrophobicContact CG1-CD2 4.21Å; V534-Y538 PolarHBondContact O-N 3.2Å; Y538-S542 VanDerWaalsContact O-CB 3.22Å; Y538-S542 WeakPolarHBondContact O-CB 3.16Å; Y538-S542 PolarHBondContact O-OG 3.19Å; Y538-T561 HydrophobicContact CE2-CG2 3.91Å; Y538-T561 WeakPolarHBondContact OH-CG2 3.34Å; Y538-V564 HydrophobicContact CD2-CG1 3.84Å; Y538-V564 HydrophobicContact CG-CG1 3.83Å; Y538-E565 HydrophobicContact CE1-CB 3.83Å; Y538-E565 HydrophobicContact CE1-CG 4.08Å; Y538-W568 HydrophobicContact CD1-CB 4.17Å; Y538-W568 HydrophobicContact CD1-CG 4.42Å; Y538-W568 VanDerWaalsContact O-CD1 3.31Å
539G97.9Very high96.1Very high0 Ų025.5 Ų25.50%013%0.132CC..  trans84.9157.6-176.300000114.3P9 E13 I535 S542 L543P9-G539 VanDerWaalsContact CB-CA 3.49Å; E13-G539 WeakPolarHBondContact OE1-CA 3.23Å; I535-G539 WeakPolarHBondContact O-CA 3.47Å; I535-G539 PolarHBondContact O-N 3.36Å; G539-S542 PolarHBondContact O-N 3.2Å; G539-L543 PolarHBondContact O-N 3.33Å
540A98.4Very high96.3Very high0 Ų025 Ų250%014%0.135CC..Hα-helixtrans-66.6-40.6-179.300000111.7E13 K132 I535 S542 L543 R544 F686E13-A540 PolarHBondContact OE1-N 3.21Å; E13-A540 PolarHBondContact OE2-N 3.34Å; K132-A540 WeakPolarHBondContact O-CB 3.4Å; I535-A540 HydrophobicContact CG1-CB 4.4Å; I535-A540 HydrophobicContact CG2-CB 4.05Å; A540-S542 VanDerWaalsContact C-N 3.29Å; A540-S542 PolarHBondContact O-N 3.39Å; A540-L543 PolarHBondContact O-N 2.92Å; A540-R544 WeakPolarHBondContact O-CB 3.29Å; A540-R544 WeakPolarHBondContact O-CG 3.35Å; A540-R544 PolarHBondContact O-N 2.77Å; A540-F686 HydrophobicContact CB-CD2 4.01Å; A540-F686 HydrophobicContact CB-CE2 3.64Å
541D98.7Very high96.4Very high0 Ų024 Ų240%013%0.132CC..Hα-helixtrans-60.7-38.9178.3-72.5-21.2000112Y545 I571 M684 P685 F686 V687D541-Y545 WeakPolarHBondContact O-CB 3.41Å; D541-Y545 PolarHBondContact O-N 2.87Å; D541-I571 HydrophobicContact CB-CD1 3.76Å; D541-M684 HydrophobicContact CB-CB 3.9Å; D541-M684 HydrophobicContact CB-CG 4.11Å; D541-M684 WeakPolarHBondContact OD1-CA 3.41Å; D541-P685 WeakPolarHBondContact OD1-CD 3.32Å; D541-F686 WeakPolarHBondContact OD1-CD2 3.39Å; D541-F686 PolarHBondContact OD1-N 2.97Å; D541-F686 WeakPolarHBondContact OD2-CB 3.49Å; D541-F686 PolarHBondContact OD2-N 3.17Å; D541-V687 VanDerWaalsContact OD2-CB 3.29Å; D541-V687 WeakPolarHBondContact OD2-CB 2.98Å; D541-V687 VanDerWaalsContact OD2-CG1 3.24Å; D541-V687 WeakPolarHBondContact OD2-CG1 3.3Å; D541-V687 PolarHBondContact OD2-N 3.33Å
542S98.5Very high96.3Very high0 Ų026.3 Ų26.30%015%0.148CC..Hα-helixtrans-64.9-46.2177.4-56.40000111.5Y538 G539 A540 F546 W568 I571Y538-S542 VanDerWaalsContact O-CB 3.22Å; Y538-S542 WeakPolarHBondContact O-CB 3.16Å; Y538-S542 PolarHBondContact O-OG 3.19Å; G539-S542 PolarHBondContact O-N 3.2Å; A540-S542 VanDerWaalsContact C-N 3.29Å; A540-S542 PolarHBondContact O-N 3.39Å; S542-F546 WeakPolarHBondContact O-CB 3.2Å; S542-F546 PolarHBondContact O-N 3.26Å; S542-W568 WeakPolarHBondContact OG-CA 3.47Å; S542-I571 WeakPolarHBondContact OG-CD1 3.37Å
543L98.3Very high96.2Very high0 Ų025.1 Ų25.10%014%0.144CC..Hα-helixtrans-63.5-48.4178.1178.159.4000111L52 L133 P531 V534 I535 G539 A540 Y545 F546 L547L52-L543 HydrophobicContact CD2-CD1 3.71Å; L52-L543 HydrophobicContact CD2-CD2 4.35Å; L133-L543 HydrophobicContact CD2-CD2 4.14Å; P531-L543 HydrophobicContact CB-CD2 3.95Å; V534-L543 HydrophobicContact CG1-CB 4.41Å; V534-L543 HydrophobicContact CG1-CD1 4.06Å; I535-L543 HydrophobicContact CD1-CD2 4.1Å; I535-L543 HydrophobicContact CG1-CB 4.45Å; I535-L543 HydrophobicContact CG1-CD2 3.75Å; G539-L543 PolarHBondContact O-N 3.33Å; A540-L543 PolarHBondContact O-N 2.92Å; L543-Y545 PolarHBondContact O-N 3.33Å; L543-F546 PolarHBondContact O-N 3.23Å; L543-L547 HydrophobicContact CD1-CD1 3.71Å; L543-L547 HydrophobicContact CD1-CD2 4.35Å; L543-L547 HydrophobicContact CD1-CG 3.87Å; L543-L547 HydrophobicContact CD2-CD1 4.49Å; L543-L547 HydrophobicContact CG-CD1 3.79Å; L543-L547 HydrophobicContact CG-CG 4.33Å; L543-L547 WeakPolarHBondContact O-CB 3.34Å; L543-L547 VanDerWaalsContact O-CG 3.24Å; L543-L547 WeakPolarHBondContact O-CG 3.31Å; L543-L547 PolarHBondContact O-N 3.26Å
544R98.5Very high96.1Very high0 Ų020.3 Ų20.30%012%0.119CC..Hα-helixtrans-57.8-51.4-179.7-73.8172.665.1118.75.6111.8T59 D62 L133 G134 A540 F546 L547 A548 P682 F683T59-R544 HydrophobicContact CG2-CB 3.75Å; T59-R544 HydrophobicContact CG2-CG 3.98Å; D62-R544 IonicContact OD2-CZ 2.75Å; D62-R544 IonicContact OD2-NH1 3.44Å; D62-R544 PolarHBondContact OD2-NH1 2.91Å; D62-R544 IonicContact OD2-NH2 2.64Å; D62-R544 PolarHBondContact OD2-NH2 3.3Å; L133-R544 HydrophobicContact CD2-CG 4.49Å; L133-R544 WeakPolarHBondContact O-CD 3.46Å; L133-R544 PolarHBondContact O-NH1 2.99Å; G134-R544 PolarHBondContact O-NH1 3.22Å; A540-R544 WeakPolarHBondContact O-CB 3.29Å; A540-R544 WeakPolarHBondContact O-CG 3.35Å; A540-R544 PolarHBondContact O-N 2.77Å; R544-F546 PolarHBondContact O-N 3.44Å; R544-L547 PolarHBondContact O-N 2.68Å; R544-A548 WeakPolarHBondContact O-CB 3.41Å; R544-A548 PolarHBondContact O-N 3.24Å; R544-P682 PolarHBondContact NH2-O 3.45Å; R544-F683 WeakPolarHBondContact CB-O 3.46Å; R544-F683 PolarHBondContact NE-O 3.15Å; R544-F683 VanDerWaalsContact NE-O 3.16Å
545Y98.4Very high96.1Very high10 Ų1024.7 Ų24.74%0.03914%0.139CC..Hα-helixtrans-65.9-38.9-177.9-170.6-84.1000111.5D541 L543 T549 V567 F570 G631 L680 F683 M684D541-Y545 WeakPolarHBondContact O-CB 3.41Å; D541-Y545 PolarHBondContact O-N 2.87Å; L543-Y545 PolarHBondContact O-N 3.33Å; Y545-T549 HydrophobicContact CD1-CG2 4.11Å; Y545-T549 HydrophobicContact CD2-CG2 4.26Å; Y545-T549 HydrophobicContact CE1-CG2 3.94Å; Y545-T549 HydrophobicContact CE2-CG2 4.09Å; Y545-T549 HydrophobicContact CG-CG2 4.27Å; Y545-T549 WeakPolarHBondContact O-CB 3.2Å; Y545-T549 WeakPolarHBondContact O-CG2 3.24Å; Y545-T549 PolarHBondContact O-N 3.22Å; Y545-T549 PolarHBondContact O-OG1 3.35Å; Y545-V567 HydrophobicContact CD1-CG1 3.7Å; Y545-V567 HydrophobicContact CD1-CG2 3.96Å; Y545-V567 HydrophobicContact CG-CG1 4.07Å; Y545-F570 HydrophobicContact CE1-CD1 4.21Å; Y545-F570 HydrophobicContact CE1-CE1 4.23Å; Y545-F570 HydrophobicContact CE2-CE1 4.28Å; Y545-F570 AromaticContact CZ-CE1 3.81Å; Y545-G631 VanDerWaalsContact OH-CA 3.32Å; Y545-G631 WeakPolarHBondContact OH-CA 3.4Å; Y545-G631 PolarHBondContact OH-O 3.2Å; Y545-L680 HydrophobicContact CE2-CD2 4.17Å; Y545-F683 HydrophobicContact CD2-CB 3.74Å; Y545-F683 HydrophobicContact CD2-CD1 4.25Å; Y545-F683 HydrophobicContact CD2-CG 4.22Å; Y545-F683 HydrophobicContact CE2-CB 4.4Å; Y545-M684 HydrophobicContact CD1-CE 3.98Å; Y545-M684 HydrophobicContact CD2-CE 3.26Å; Y545-M684 HydrophobicContact CD2-CG 4.08Å; Y545-M684 HydrophobicContact CD2-SD 4.34Å; Y545-M684 HydrophobicContact CE1-CE 4.38Å; Y545-M684 HydrophobicContact CE2-CE 3.75Å; Y545-M684 HydrophobicContact CG-CE 3.38Å
546F98Very high96Very high5 Ų527.2 Ų27.22%0.02215%0.152CC..Hα-helixtrans-58.6-49.4172.2166.5-104.5000112.3S542 L543 R544 G550 L557 Y559 K563 V564 V567S542-F546 WeakPolarHBondContact O-CB 3.2Å; S542-F546 PolarHBondContact O-N 3.26Å; L543-F546 PolarHBondContact O-N 3.23Å; R544-F546 PolarHBondContact O-N 3.44Å; F546-G550 WeakPolarHBondContact O-CA 3.33Å; F546-G550 PolarHBondContact O-N 2.64Å; F546-L557 HydrophobicContact CE1-CD2 4.08Å; F546-L557 HydrophobicContact CZ-CD1 4.2Å; F546-L557 HydrophobicContact CZ-CD2 4.34Å; F546-L557 HydrophobicContact CZ-CG 4.4Å; F546-Y559 AromaticContact CE1-CD2 3.87Å; F546-Y559 HydrophobicContact CE1-CD2 3.87Å; F546-Y559 HydrophobicContact CE1-CE2 4.37Å; F546-Y559 HydrophobicContact CZ-CD2 4.47Å; F546-K563 HydrophobicContact CD2-CB 3.75Å; F546-K563 HydrophobicContact CE2-CB 3.56Å; F546-K563 HydrophobicContact CE2-CD 3.93Å; F546-K563 HydrophobicContact CE2-CG 4.41Å; F546-V564 HydrophobicContact CB-CG2 4.19Å; F546-V564 HydrophobicContact CD1-CG2 3.74Å; F546-V564 HydrophobicContact CD2-CG2 4.26Å; F546-V564 HydrophobicContact CE1-CG2 4.22Å; F546-V564 HydrophobicContact CG-CG2 3.77Å; F546-V567 HydrophobicContact CB-CG2 4.16Å
547L97.4Very high95.9Very high0 Ų023.4 Ų23.40%013%0.132CC..Hα-helixtrans-64.5-45.1-178-67.6174.1000111.3A55 W56 L543 R544 L557A55-L547 HydrophobicContact CB-CD1 3.79Å; W56-L547 HydrophobicContact CB-CB 4.2Å; W56-L547 HydrophobicContact CB-CD1 4.23Å; W56-L547 HydrophobicContact CB-CD2 4.18Å; W56-L547 HydrophobicContact CB-CG 4.43Å; W56-L547 VanDerWaalsContact CD1-O 3.31Å; W56-L547 HydrophobicContact CG-CB 4.15Å; W56-L547 PolarHBondContact NE1-O 3.48Å; L543-L547 HydrophobicContact CD1-CD1 3.71Å; L543-L547 HydrophobicContact CD1-CD2 4.35Å; L543-L547 HydrophobicContact CD1-CG 3.87Å; L543-L547 HydrophobicContact CD2-CD1 4.49Å; L543-L547 HydrophobicContact CG-CD1 3.79Å; L543-L547 HydrophobicContact CG-CG 4.33Å; L543-L547 WeakPolarHBondContact O-CB 3.34Å; L543-L547 VanDerWaalsContact O-CG 3.24Å; L543-L547 WeakPolarHBondContact O-CG 3.31Å; L543-L547 PolarHBondContact O-N 3.26Å; R544-L547 PolarHBondContact O-N 2.68Å; L547-L557 HydrophobicContact CD2-CD2 3.59Å
548A97.2Very high95.8Very high3 Ų324.7 Ų24.73%0.02513%0.131CC..Hα-helixtrans-70.1-33.4-17700000113.9T59 L60 I63 R544 F627 F683T59-A548 HydrophobicContact CG2-CB 4.19Å; L60-A548 HydrophobicContact CD2-CB 4.23Å; I63-A548 HydrophobicContact CD1-CB 3.33Å; R544-A548 WeakPolarHBondContact O-CB 3.41Å; R544-A548 PolarHBondContact O-N 3.24Å; A548-F627 WeakPolarHBondContact O-CB 3.15Å; A548-F683 HydrophobicContact CB-CD1 4.03Å; A548-F683 HydrophobicContact CB-CE1 4.23Å
549T96.8Very high95.7Very high30 Ų3024.2 Ų24.218%0.18413%0.13CC..Hα-helixtrans-105.8-7.7-172.368.10000113.8Y545 S551 F683Y545-T549 HydrophobicContact CD1-CG2 4.11Å; Y545-T549 HydrophobicContact CD2-CG2 4.26Å; Y545-T549 HydrophobicContact CE1-CG2 3.94Å; Y545-T549 HydrophobicContact CE2-CG2 4.09Å; Y545-T549 HydrophobicContact CG-CG2 4.27Å; Y545-T549 WeakPolarHBondContact O-CB 3.2Å; Y545-T549 WeakPolarHBondContact O-CG2 3.24Å; Y545-T549 PolarHBondContact O-N 3.22Å; Y545-T549 PolarHBondContact O-OG1 3.35Å; T549-S551 PolarHBondContact O-N 3.02Å; T549-F683 HydrophobicContact CG2-CD1 4.32Å; T549-F683 HydrophobicContact CG2-CE1 4.3Å
550G93.4Very high95.5Very high32 Ų3224.9 Ų24.933%0.3313%0.134SC..SBendtrans-80-9.4-172.500000115.9F546 L557F546-G550 WeakPolarHBondContact O-CA 3.33Å; F546-G550 PolarHBondContact O-N 2.64Å; G550-L557 VanDerWaalsContact C-CD1 3.45Å; G550-L557 WeakPolarHBondContact O-CD1 3.3Å
551S91.1Very high95.3Very high22 Ų2227.8 Ų27.815%0.15415%0.152CC..SBendtrans-151.7161-179.3-165.40000111.3T549 H555T549-S551 PolarHBondContact O-N 3.02Å; S551-H555 WeakPolarHBondContact OG-CB 3.27Å; S551-H555 PolarHBondContact OG-O 3.4Å
552S92Very high95.1Very high53 Ų5334.9 Ų34.937%0.37119%0.185SC..  trans-87.9156.9169.7-58.60000110.8G554 H555S552-G554 PolarHBondContact O-N 3.27Å; S552-H555 PolarHBondContact O-N 3Å; S552-H555 VanDerWaalsContact O-N 3.14Å
553P90.8Very high95Very high19 Ų1940.2 Ų40.212%0.12321%0.208CC..THydrogen-bonded Turntrans-48.5136.9175-29.236.5000112.7P384 L508 H555 Y625P384-P553 HydrophobicContact CG-CB 4Å; P384-P553 WeakPolarHBondContact CG-O 3.26Å; L508-P553 HydrophobicContact CD1-CB 4Å; L508-P553 HydrophobicContact CD1-CG 4.18Å; P553-H555 VanDerWaalsContact C-N 3.26Å; P553-H555 PolarHBondContact O-N 3.03Å; P553-Y625 WeakPolarHBondContact CG-O 3.32Å
554G92.3Very high94.9Very high5 Ų540.2 Ų40.25%0.05221%0.208CC..THydrogen-bonded Turntrans74.6-0.7179.800000116.6R386 L509 S552R386-G554 PolarHBondContact NH2-O 3.03Å; L509-G554 VanDerWaalsContact O-CA 3.29Å; L509-G554 WeakPolarHBondContact O-CA 3.35Å; L509-G554 PolarHBondContact O-N 2.72Å; S552-G554 PolarHBondContact O-N 3.27Å
555H94.5Very high94.9Very high97 Ų9744.5 Ų44.545%0.44923%0.228SC..SBendtrans-104.8138.5177.3-76.4-85.7000112.1W56 G511 S551 S552 P553W56-H555 WeakPolarHBondContact CH2-O 3.38Å; G511-H555 WeakPolarHBondContact CA-O 3.28Å; S551-H555 WeakPolarHBondContact OG-CB 3.27Å; S551-H555 PolarHBondContact OG-O 3.4Å; S552-H555 PolarHBondContact O-N 3Å; S552-H555 VanDerWaalsContact O-N 3.14Å; P553-H555 VanDerWaalsContact C-N 3.26Å; P553-H555 PolarHBondContact O-N 3.03Å
556D94.8Very high94.8Very high55 Ų5547.1 Ų47.129%0.29425%0.248SC..PPolyproline II helixtrans-61138175.6-74.91.3000112.1Y481 L512 R514Y481-D556 WeakPolarHBondContact CE1-OD1 3.45Å; Y481-D556 PolarHBondContact OH-OD1 3.47Å; Y481-D556 PolarHBondContact OH-OD2 3.34Å; L512-D556 PolarHBondContact N-OD1 3.46Å; L512-D556 VanDerWaalsContact O-CA 3.32Å; L512-D556 WeakPolarHBondContact O-CA 3.05Å; L512-D556 WeakPolarHBondContact O-CB 3.43Å; R514-D556 HydrophobicContact CG-CB 4.02Å; R514-D556 IonicContact CZ-OD2 3.7Å; R514-D556 IonicContact NE-OD2 2.77Å; R514-D556 PolarHBondContact NE-OD2 3.19Å; R514-D556 IonicContact NH2-OD2 3.54Å; R514-D556 PolarHBondContact NH2-OD2 3.04Å
557L94.3Very high94.8Very high3 Ų347.7 Ų47.72%0.01625%0.252CS..EExtended strand (participates in β ladder)trans-95.9125.8176.6176.167.6000109.9W56 L512 V513 R514 F546 L547 G550W56-L557 HydrophobicContact CD2-CD2 4.3Å; W56-L557 HydrophobicContact CE3-CB 4.17Å; W56-L557 HydrophobicContact CE3-CD2 4.45Å; W56-L557 HydrophobicContact CH2-CB 3.58Å; W56-L557 HydrophobicContact CZ2-CB 4.12Å; W56-L557 HydrophobicContact CZ3-CB 3.6Å; L512-L557 PolarHBondContact O-N 3.43Å; L512-L557 VanDerWaalsContact O-N 3.08Å; V513-L557 CarbonylContact C-O 3.56Å; V513-L557 WeakPolarHBondContact CA-O 2.94Å; R514-L557 PolarHBondContact N-O 3.05Å; F546-L557 HydrophobicContact CE1-CD2 4.08Å; F546-L557 HydrophobicContact CZ-CD1 4.2Å; F546-L557 HydrophobicContact CZ-CD2 4.34Å; F546-L557 HydrophobicContact CZ-CG 4.4Å; L547-L557 HydrophobicContact CD2-CD2 3.59Å; G550-L557 VanDerWaalsContact C-CD1 3.45Å; G550-L557 WeakPolarHBondContact O-CD1 3.3Å
558R93.7Very high94.9Very high158 Ų15849.1 Ų49.160%0.59626%0.257SS*.EExtended strand (participates in β ladder)trans-88.1121.2170.4-65.3-176.7-171.3172.52110.1R514R514-R558 HydrophobicContact CB-CG 4.44Å
559Y94.4Very high94.9Very high17 Ų1752.1 Ų52.17%0.06727%0.273CS..PPolyproline II helixtrans-66.5135.5173.7-177.5-95.5000110.6L52 R514 E516 V529 V534 F546 V564L52-Y559 HydrophobicContact CD1-CD2 3.36Å; L52-Y559 HydrophobicContact CD1-CE2 3.74Å; L52-Y559 HydrophobicContact CD1-CG 3.88Å; L52-Y559 HydrophobicContact CD2-CE2 4.44Å; R514-Y559 PolarHBondContact O-N 3.25Å; E516-Y559 WeakPolarHBondContact CA-O 3.47Å; V529-Y559 HydrophobicContact CB-CE1 4.46Å; V529-Y559 HydrophobicContact CG1-CE1 4.12Å; V529-Y559 HydrophobicContact CG1-CE2 4.34Å; V529-Y559 HydrophobicContact CG2-CD1 3.96Å; V529-Y559 HydrophobicContact CG2-CE1 3.85Å; V534-Y559 HydrophobicContact CG2-CE2 4.32Å; V534-Y559 VanDerWaalsContact CG2-OH 3.28Å; V534-Y559 WeakPolarHBondContact CG2-OH 3.36Å; F546-Y559 AromaticContact CE1-CD2 3.87Å; F546-Y559 HydrophobicContact CE1-CD2 3.87Å; F546-Y559 HydrophobicContact CE1-CE2 4.37Å; F546-Y559 HydrophobicContact CZ-CD2 4.47Å; Y559-V564 HydrophobicContact CE2-CG2 4.05Å
560S93.2Very high95Very high13 Ų1350.8 Ų50.89%0.09127%0.265CS..  trans-148.5119.1176.2170.80000109.3E562 K563 V564S560-E562 VanDerWaalsContact C-N 3.28Å; S560-E562 PolarHBondContact O-N 2.95Å; S560-K563 PolarHBondContact O-N 3.07Å; S560-K563 PolarHBondContact OG-N 3.18Å; S560-V564 PolarHBondContact O-N 3.14Å
561T94Very high95.2Very high61 Ų6149.3 Ų49.337%0.37425%0.249SC..Hα-helixtrans-61.4-37.9177.6-540000111.5Y538 K563 V564 E565Y538-T561 HydrophobicContact CE2-CG2 3.91Å; Y538-T561 WeakPolarHBondContact OH-CG2 3.34Å; T561-K563 VanDerWaalsContact C-N 3.29Å; T561-K563 PolarHBondContact O-N 2.98Å; T561-V564 PolarHBondContact O-N 3.49Å; T561-V564 VanDerWaalsContact O-N 3.12Å; T561-E565 PolarHBondContact O-N 2.94Å
562E95.7Very high95.5Very high149 Ų14949.7 Ų49.770%0.69625%0.249SC*.Hα-helixtrans-58.9-40.2175.7-175.8-177.7177.600111.8S560 E565 S566S560-E562 VanDerWaalsContact C-N 3.28Å; S560-E562 PolarHBondContact O-N 2.95Å; E562-E565 PolarHBondContact O-N 3.16Å; E562-S566 PolarHBondContact O-N 2.96Å
563K95.7Very high95.8Very high112 Ų11249.8 Ų49.849%0.48724%0.243SC..Hα-helixtrans-68.1-38.2176-69.7-173.6176.4-174.70112.2F546 S560 T561 S566 V567F546-K563 HydrophobicContact CD2-CB 3.75Å; F546-K563 HydrophobicContact CE2-CB 3.56Å; F546-K563 HydrophobicContact CE2-CD 3.93Å; F546-K563 HydrophobicContact CE2-CG 4.41Å; S560-K563 PolarHBondContact O-N 3.07Å; S560-K563 PolarHBondContact OG-N 3.18Å; T561-K563 VanDerWaalsContact C-N 3.29Å; T561-K563 PolarHBondContact O-N 2.98Å; K563-S566 WeakPolarHBondContact O-CB 3.49Å; K563-S566 PolarHBondContact O-N 3.08Å; K563-V567 WeakPolarHBondContact O-CG2 3.32Å; K563-V567 PolarHBondContact O-N 2.95Å; K563-V567 VanDerWaalsContact O-N 3.1Å
564V97.3Very high96.1Very high0 Ų049.1 Ų49.10%024%0.238CC..Hα-helixtrans-63.8-43.6174.3179.90000110.6V534 Y538 F546 Y559 S560 T561 S566 V567 W568V534-V564 HydrophobicContact CG1-CG1 3.86Å; Y538-V564 HydrophobicContact CD2-CG1 3.84Å; Y538-V564 HydrophobicContact CG-CG1 3.83Å; F546-V564 HydrophobicContact CB-CG2 4.19Å; F546-V564 HydrophobicContact CD1-CG2 3.74Å; F546-V564 HydrophobicContact CD2-CG2 4.26Å; F546-V564 HydrophobicContact CE1-CG2 4.22Å; F546-V564 HydrophobicContact CG-CG2 3.77Å; Y559-V564 HydrophobicContact CE2-CG2 4.05Å; S560-V564 PolarHBondContact O-N 3.14Å; T561-V564 PolarHBondContact O-N 3.49Å; T561-V564 VanDerWaalsContact O-N 3.12Å; V564-S566 VanDerWaalsContact C-N 3.32Å; V564-S566 PolarHBondContact O-N 3.36Å; V564-V567 WeakPolarHBondContact O-CB 3.42Å; V564-V567 PolarHBondContact O-N 3.21Å; V564-V567 VanDerWaalsContact O-N 3.13Å; V564-W568 PolarHBondContact O-N 2.94Å
565E97.4Very high96.4Very high91 Ų9149.4 Ų49.443%0.42524%0.238SC..Hα-helixtrans-61.1-40.7174.8-175.9-179.5179.900111.7Y538 T561 E562 V567 W568 N569Y538-E565 HydrophobicContact CE1-CB 3.83Å; Y538-E565 HydrophobicContact CE1-CG 4.08Å; T561-E565 PolarHBondContact O-N 2.94Å; E562-E565 PolarHBondContact O-N 3.16Å; E565-V567 VanDerWaalsContact C-N 3.27Å; E565-V567 PolarHBondContact O-N 2.81Å; E565-W568 WeakPolarHBondContact O-CB 3.18Å; E565-W568 PolarHBondContact O-N 2.95Å; E565-W568 VanDerWaalsContact O-N 3.16Å; E565-N569 PolarHBondContact O-N 2.92Å; E565-N569 PolarHBondContact O-ND2 2.97Å
566S97.5Very high96.5Very high65 Ų6547.6 Ų47.646%0.45523%0.231SC..Hα-helixtrans-59.6-38.2174.4-1730000112.2E562 K563 V564 N569 F570E562-S566 PolarHBondContact O-N 2.96Å; K563-S566 WeakPolarHBondContact O-CB 3.49Å; K563-S566 PolarHBondContact O-N 3.08Å; V564-S566 VanDerWaalsContact C-N 3.32Å; V564-S566 PolarHBondContact O-N 3.36Å; S566-N569 PolarHBondContact O-N 3.5Å; S566-F570 PolarHBondContact O-N 3.35Å; S566-F570 VanDerWaalsContact O-N 3.09Å
567V98.1Very high96.6Very high16 Ų1645.2 Ų45.210%0.09722%0.22CC..Hα-helixtrans-68.7-41.4174.7176.30000111Y545 F546 K563 V564 E565 N569 F570 I571 M684Y545-V567 HydrophobicContact CD1-CG1 3.7Å; Y545-V567 HydrophobicContact CD1-CG2 3.96Å; Y545-V567 HydrophobicContact CG-CG1 4.07Å; F546-V567 HydrophobicContact CB-CG2 4.16Å; K563-V567 WeakPolarHBondContact O-CG2 3.32Å; K563-V567 PolarHBondContact O-N 2.95Å; K563-V567 VanDerWaalsContact O-N 3.1Å; V564-V567 WeakPolarHBondContact O-CB 3.42Å; V564-V567 PolarHBondContact O-N 3.21Å; V564-V567 VanDerWaalsContact O-N 3.13Å; E565-V567 VanDerWaalsContact C-N 3.27Å; E565-V567 PolarHBondContact O-N 2.81Å; V567-N569 VanDerWaalsContact C-N 3.28Å; V567-N569 PolarHBondContact O-N 2.8Å; V567-F570 WeakPolarHBondContact O-CA 3.47Å; V567-F570 WeakPolarHBondContact O-CB 3.28Å; V567-F570 PolarHBondContact O-N 3.31Å; V567-I571 HydrophobicContact CG1-CD1 4.17Å; V567-I571 PolarHBondContact O-N 2.67Å; V567-M684 HydrophobicContact CG1-CE 4.36Å
568W98.2Very high96.7Very high31 Ų3145 Ų4512%0.11722%0.219CC..Hα-helixtrans-58.5-41.6174-179.587.4000111.7K6 Y7 Y538 S542 V564 E565 F570 I571 N572K6-W568 HydrophobicContact CD-CH2 4.4Å; K6-W568 HydrophobicContact CG-CH2 4.25Å; K6-W568 HydrophobicContact CG-CZ2 4.44Å; Y7-W568 AromaticContact CD1-NE1 3.75Å; Y538-W568 HydrophobicContact CD1-CB 4.17Å; Y538-W568 HydrophobicContact CD1-CG 4.42Å; Y538-W568 VanDerWaalsContact O-CD1 3.31Å; S542-W568 WeakPolarHBondContact OG-CA 3.47Å; V564-W568 PolarHBondContact O-N 2.94Å; E565-W568 WeakPolarHBondContact O-CB 3.18Å; E565-W568 PolarHBondContact O-N 2.95Å; E565-W568 VanDerWaalsContact O-N 3.16Å; W568-F570 VanDerWaalsContact C-N 3.3Å; W568-F570 PolarHBondContact O-N 3.18Å; W568-I571 PolarHBondContact O-N 3.44Å; W568-N572 HydrophobicContact CH2-CB 3.97Å; W568-N572 HydrophobicContact CZ2-CB 4.32Å; W568-N572 HydrophobicContact CZ3-CB 4.15Å; W568-N572 WeakPolarHBondContact O-CB 3.5Å; W568-N572 PolarHBondContact O-N 3.29Å
569N97.7Very high96.8Very high66 Ų6641.5 Ų41.535%0.35321%0.206SC..Hα-helixtrans-60.9-38.7174.6-74.7-42.1000112.1E565 S566 V567 N572 K573E565-N569 PolarHBondContact O-N 2.92Å; E565-N569 PolarHBondContact O-ND2 2.97Å; S566-N569 PolarHBondContact O-N 3.5Å; V567-N569 VanDerWaalsContact C-N 3.28Å; V567-N569 PolarHBondContact O-N 2.8Å; N569-N572 PolarHBondContact O-N 2.8Å; N569-K573 PolarHBondContact O-N 3.07Å
570F98.2Very high96.8Very high2 Ų242.6 Ų42.61%0.00921%0.211CC..Hα-helixtrans-64.4-44.4173.5176-134.5000112.7Y545 S566 V567 W568 N572 K573 I574 Y635 I638 W639 M684Y545-F570 HydrophobicContact CE1-CD1 4.21Å; Y545-F570 HydrophobicContact CE1-CE1 4.23Å; Y545-F570 HydrophobicContact CE2-CE1 4.28Å; Y545-F570 AromaticContact CZ-CE1 3.81Å; S566-F570 PolarHBondContact O-N 3.35Å; S566-F570 VanDerWaalsContact O-N 3.09Å; V567-F570 WeakPolarHBondContact O-CA 3.47Å; V567-F570 WeakPolarHBondContact O-CB 3.28Å; V567-F570 PolarHBondContact O-N 3.31Å; W568-F570 VanDerWaalsContact C-N 3.3Å; W568-F570 PolarHBondContact O-N 3.18Å; F570-N572 VanDerWaalsContact C-N 3.3Å; F570-N572 PolarHBondContact O-N 2.92Å; F570-K573 WeakPolarHBondContact O-CA 3.43Å; F570-K573 WeakPolarHBondContact O-CB 3.33Å; F570-K573 PolarHBondContact O-N 2.95Å; F570-I574 HydrophobicContact CD1-CD1 4.13Å; F570-I574 HydrophobicContact CD2-CD1 4.11Å; F570-I574 HydrophobicContact CD2-CG1 4.31Å; F570-I574 HydrophobicContact CE1-CD1 3.83Å; F570-I574 HydrophobicContact CE2-CD1 3.84Å; F570-I574 HydrophobicContact CE2-CG1 4Å; F570-I574 HydrophobicContact CG-CD1 4.28Å; F570-I574 HydrophobicContact CZ-CD1 3.7Å; F570-I574 HydrophobicContact CZ-CG1 4.28Å; F570-I574 PolarHBondContact O-N 3.05Å; F570-Y635 HydrophobicContact CB-CD2 4.46Å; F570-Y635 HydrophobicContact CB-CE2 4.23Å; F570-Y635 HydrophobicContact CD1-CD2 4.06Å; F570-Y635 AromaticContact CD2-CD2 3.8Å; F570-Y635 HydrophobicContact CD2-CD2 3.8Å; F570-Y635 AromaticContact CD2-CE2 3.95Å; F570-Y635 HydrophobicContact CD2-CE2 3.95Å; F570-Y635 HydrophobicContact CE1-CD2 4.2Å; F570-Y635 AromaticContact CE2-CD2 3.92Å; F570-Y635 HydrophobicContact CE2-CD2 3.92Å; F570-Y635 HydrophobicContact CE2-CE2 4.43Å; F570-Y635 AromaticContact CG-CD2 3.85Å; F570-Y635 HydrophobicContact CG-CD2 3.85Å; F570-Y635 HydrophobicContact CG-CE2 4.04Å; F570-Y635 HydrophobicContact CZ-CD2 4.11Å; F570-I638 HydrophobicContact CE2-CB 4.13Å; F570-I638 HydrophobicContact CE2-CG2 3.95Å; F570-I638 HydrophobicContact CZ-CB 4.23Å; F570-I638 HydrophobicContact CZ-CD1 4.09Å; F570-I638 HydrophobicContact CZ-CG2 4.32Å; F570-W639 HydrophobicContact CB-CE3 4.41Å; F570-W639 HydrophobicContact CB-CZ3 4.1Å; F570-W639 AromaticContact CD2-CE3 3.61Å; F570-W639 HydrophobicContact CD2-CE3 3.61Å; F570-W639 HydrophobicContact CD2-CZ3 4.11Å; F570-W639 HydrophobicContact CE2-CE3 4.36Å; F570-W639 HydrophobicContact CG-CE3 4.43Å; F570-M684 HydrophobicContact CD1-CE 3.79Å; F570-M684 HydrophobicContact CE1-CE 3.91Å
571I98.4Very high96.8Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-60.9-42.2174.7-65.4163.5000110.7Y7 D541 S542 V567 W568 K573 I574 W575 M684 V687Y7-I571 HydrophobicContact CD1-CB 4.41Å; Y7-I571 HydrophobicContact CD1-CG2 3.63Å; Y7-I571 HydrophobicContact CD2-CG2 4.48Å; Y7-I571 HydrophobicContact CE1-CB 4.26Å; Y7-I571 HydrophobicContact CE1-CG2 3.37Å; Y7-I571 HydrophobicContact CE2-CG2 4.26Å; Y7-I571 HydrophobicContact CG-CG2 4.19Å; D541-I571 HydrophobicContact CB-CD1 3.76Å; S542-I571 WeakPolarHBondContact OG-CD1 3.37Å; V567-I571 HydrophobicContact CG1-CD1 4.17Å; V567-I571 PolarHBondContact O-N 2.67Å; W568-I571 PolarHBondContact O-N 3.44Å; I571-K573 VanDerWaalsContact C-N 3.28Å; I571-K573 PolarHBondContact O-N 3.06Å; I571-I574 WeakPolarHBondContact O-CB 3.31Å; I571-I574 PolarHBondContact O-N 3Å; I571-W575 WeakPolarHBondContact O-CB 3.22Å; I571-W575 PolarHBondContact O-N 3.14Å; I571-M684 HydrophobicContact CD1-CE 4.07Å; I571-M684 HydrophobicContact CD1-SD 4.18Å; I571-M684 HydrophobicContact CG1-CE 3.55Å; I571-M684 HydrophobicContact CG1-SD 3.62Å; I571-V687 HydrophobicContact CG2-CB 4.16Å; I571-V687 HydrophobicContact CG2-CG1 4.02Å; I571-V687 HydrophobicContact CG2-CG2 3.89Å
572N97.9Very high96.9Very high30 Ų3040.6 Ų40.616%0.1620%0.197CC..Hα-helixtrans-65.3-31.4176-174.966.6000112.2Y7 W568 N569 F570 N576Y7-N572 PolarHBondContact N-OD1 3.15Å; W568-N572 HydrophobicContact CH2-CB 3.97Å; W568-N572 HydrophobicContact CZ2-CB 4.32Å; W568-N572 HydrophobicContact CZ3-CB 4.15Å; W568-N572 WeakPolarHBondContact O-CB 3.5Å; W568-N572 PolarHBondContact O-N 3.29Å; N569-N572 PolarHBondContact O-N 2.8Å; F570-N572 VanDerWaalsContact C-N 3.3Å; F570-N572 PolarHBondContact O-N 2.92Å; N572-N576 PolarHBondContact ND2-ND2 3.16Å; N572-N576 PolarHBondContact O-N 2.77Å; N572-N576 PolarHBondContact O-ND2 2.95Å
573K97.3Very high96.7Very high56 Ų5639.5 Ų39.524%0.24319%0.193CC..Hα-helixtrans-66.7-45.7171.5-178.274.4166.8-178.60111.2N569 F570 I571 W575 N576 G577 W639 C643 D644N569-K573 PolarHBondContact O-N 3.07Å; F570-K573 WeakPolarHBondContact O-CA 3.43Å; F570-K573 WeakPolarHBondContact O-CB 3.33Å; F570-K573 PolarHBondContact O-N 2.95Å; I571-K573 VanDerWaalsContact C-N 3.28Å; I571-K573 PolarHBondContact O-N 3.06Å; K573-W575 VanDerWaalsContact C-N 3.34Å; K573-W575 PolarHBondContact O-N 3.32Å; K573-N576 PolarHBondContact O-N 2.64Å; K573-G577 PolarHBondContact O-N 3.37Å; K573-W639 HydrophobicContact CB-CE3 4.13Å; K573-W639 HydrophobicContact CB-CH2 4.13Å; K573-W639 HydrophobicContact CB-CZ3 3.89Å; K573-W639 HydrophobicContact CD-CD2 4.45Å; K573-W639 HydrophobicContact CD-CZ2 4.17Å; K573-W639 HydrophobicContact CG-CD2 3.94Å; K573-W639 HydrophobicContact CG-CE3 3.95Å; K573-W639 HydrophobicContact CG-CH2 4.26Å; K573-W639 HydrophobicContact CG-CZ2 4.27Å; K573-W639 HydrophobicContact CG-CZ3 4.12Å; K573-C643 HydrophobicContact CD-CB 4.48Å; K573-C643 VanDerWaalsContact CE-CB 3.48Å; K573-D644 IonicContact NZ-OD1 2.88Å; K573-D644 PolarHBondContact NZ-OD1 3.32Å
574I98.1Very high96.6Very high5 Ų535.6 Ų35.63%0.02618%0.177CC..Hα-helixtrans-55.9-49173.3-68.9156.2000110.6F570 I571 N576 G577 A578 I638 M677 L680 M684 I691F570-I574 HydrophobicContact CD1-CD1 4.13Å; F570-I574 HydrophobicContact CD2-CD1 4.11Å; F570-I574 HydrophobicContact CD2-CG1 4.31Å; F570-I574 HydrophobicContact CE1-CD1 3.83Å; F570-I574 HydrophobicContact CE2-CD1 3.84Å; F570-I574 HydrophobicContact CE2-CG1 4Å; F570-I574 HydrophobicContact CG-CD1 4.28Å; F570-I574 HydrophobicContact CZ-CD1 3.7Å; F570-I574 HydrophobicContact CZ-CG1 4.28Å; F570-I574 PolarHBondContact O-N 3.05Å; I571-I574 WeakPolarHBondContact O-CB 3.31Å; I571-I574 PolarHBondContact O-N 3Å; I574-N576 VanDerWaalsContact C-N 3.32Å; I574-N576 PolarHBondContact O-N 2.73Å; I574-G577 PolarHBondContact O-N 3.46Å; I574-A578 WeakPolarHBondContact O-CB 3.4Å; I574-A578 PolarHBondContact O-N 2.74Å; I574-I638 HydrophobicContact CG1-CG2 3.75Å; I574-M677 HydrophobicContact CG2-CE 3.74Å; I574-L680 HydrophobicContact CD1-CD1 3.61Å; I574-L680 HydrophobicContact CG1-CD1 4.28Å; I574-L680 HydrophobicContact CG2-CD1 4.46Å; I574-M684 HydrophobicContact CD1-CE 4.4Å; I574-M684 HydrophobicContact CD1-SD 4.12Å; I574-I691 HydrophobicContact CG2-CD1 3.9Å
575W98Very high96.4Very high11 Ų1135.8 Ų35.84%0.04218%0.179CC..Hα-helixtrans-56.6-44.3178.4-178.1-90.6000112.3M3 K4 Y7 V12 I571 K573 A578 R579 V687 K690 I691M3-W575 HydrophobicContact CB-CZ2 3.89Å; M3-W575 HydrophobicContact CE-CD2 3.33Å; M3-W575 HydrophobicContact CE-CE3 3.51Å; M3-W575 HydrophobicContact CE-CG 3.94Å; M3-W575 HydrophobicContact CE-CH2 3.75Å; M3-W575 HydrophobicContact CE-CZ2 3.57Å; M3-W575 HydrophobicContact CE-CZ3 3.72Å; M3-W575 HydrophobicContact CG-CH2 4.28Å; M3-W575 HydrophobicContact CG-CZ2 3.96Å; K4-W575 PolarHBondContact O-NE1 3.46Å; Y7-W575 HydrophobicContact CD2-CD2 4.01Å; Y7-W575 AromaticContact CD2-CE3 3.68Å; Y7-W575 HydrophobicContact CD2-CE3 3.68Å; Y7-W575 HydrophobicContact CD2-CG 4.48Å; Y7-W575 HydrophobicContact CD2-CZ3 4.11Å; Y7-W575 HydrophobicContact CE2-CE3 4.38Å; V12-W575 HydrophobicContact CG2-CH2 3.89Å; V12-W575 HydrophobicContact CG2-CZ3 3.85Å; I571-W575 WeakPolarHBondContact O-CB 3.22Å; I571-W575 PolarHBondContact O-N 3.14Å; K573-W575 VanDerWaalsContact C-N 3.34Å; K573-W575 PolarHBondContact O-N 3.32Å; W575-A578 PolarHBondContact O-N 2.79Å; W575-R579 VanDerWaalsContact O-CB 3.31Å; W575-R579 WeakPolarHBondContact O-CB 3.34Å; W575-R579 PolarHBondContact O-N 3.07Å; W575-V687 HydrophobicContact CE3-CG2 3.86Å; W575-V687 HydrophobicContact CZ3-CG2 4.34Å; W575-K690 HydrophobicContact CH2-CG 4.09Å; W575-K690 HydrophobicContact CZ3-CG 3.95Å; W575-I691 HydrophobicContact CE3-CD1 4.28Å; W575-I691 HydrophobicContact CE3-CG1 4.2Å; W575-I691 HydrophobicContact CZ3-CG1 4.41Å
576N96.6Very high96Very high58 Ų5833 Ų3331%0.3118%0.175SC..Hα-helixtrans-69.4-39.6178.1-78.8-56.1000112.8P5 N572 K573 I574 R579 F580P5-N576 PolarHBondContact O-OD1 2.89Å; P5-N576 VanDerWaalsContact O-OD1 3.12Å; N572-N576 PolarHBondContact ND2-ND2 3.16Å; N572-N576 PolarHBondContact O-N 2.77Å; N572-N576 PolarHBondContact O-ND2 2.95Å; K573-N576 PolarHBondContact O-N 2.64Å; I574-N576 VanDerWaalsContact C-N 3.32Å; I574-N576 PolarHBondContact O-N 2.73Å; N576-R579 PolarHBondContact O-N 3.28Å; N576-F580 PolarHBondContact O-N 3.38Å
577G96.1Very high95.5Very high5 Ų538 Ų385%0.05219%0.191CC..Hα-helixtrans-59.2-48172.600000111.4K573 I574 F580 S581K573-G577 PolarHBondContact O-N 3.37Å; I574-G577 PolarHBondContact O-N 3.46Å; G577-F580 PolarHBondContact O-N 3.44Å; G577-S581 PolarHBondContact O-N 3.15Å; G577-S581 PolarHBondContact O-OG 3.01Å; G577-S581 VanDerWaalsContact O-OG 3.12Å
578A96.9Very high95.1Very high0 Ų044.4 Ų44.40%022%0.224CC..Hα-helixtrans-61.7-45.2176.500000112.8M3 I574 W575 F580 S581 L582 L673 I691M3-A578 HydrophobicContact CE-CB 4.29Å; I574-A578 WeakPolarHBondContact O-CB 3.4Å; I574-A578 PolarHBondContact O-N 2.74Å; W575-A578 PolarHBondContact O-N 2.79Å; A578-F580 VanDerWaalsContact C-N 3.31Å; A578-F580 PolarHBondContact O-N 2.7Å; A578-S581 PolarHBondContact O-N 2.97Å; A578-L582 WeakPolarHBondContact O-CB 3.5Å; A578-L582 WeakPolarHBondContact O-CG 3.45Å; A578-L582 PolarHBondContact O-N 3.33Å; A578-L673 HydrophobicContact CB-CD1 4.37Å; A578-L673 HydrophobicContact CB-CD2 3.95Å; A578-I691 HydrophobicContact CB-CB 4.42Å; A578-I691 HydrophobicContact CB-CD1 3.83Å; A578-I691 HydrophobicContact CB-CG1 4.02Å; A578-I691 HydrophobicContact CB-CG2 3.53Å
579R95.6Very high94.8Very high83 Ų8343.9 Ų43.931%0.31322%0.223SC..Hα-helixtrans-58.9-42.7176.5-177.4178-179.3-75.5-7.1111.8M3 W575 N576 M583M3-R579 HydrophobicContact CB-CB 4.34Å; M3-R579 HydrophobicContact CB-CG 4.07Å; M3-R579 HydrophobicContact CE-CB 4.32Å; M3-R579 WeakPolarHBondContact O-CD 3.37Å; M3-R579 PolarHBondContact O-NE 3.3Å; M3-R579 HydrophobicContact SD-CB 4.3Å; W575-R579 VanDerWaalsContact O-CB 3.31Å; W575-R579 WeakPolarHBondContact O-CB 3.34Å; W575-R579 PolarHBondContact O-N 3.07Å; N576-R579 PolarHBondContact O-N 3.28Å; R579-M583 WeakPolarHBondContact O-CB 3.39Å; R579-M583 PolarHBondContact O-N 3.03Å
580F94.1Very high94.6Very high40 Ų4046.9 Ų46.918%0.17523%0.233CC..Hα-helixtrans-62-49174.9172.9-91.1000111.3N576 G577 A578 M583 N584 I647 K651N576-F580 PolarHBondContact O-N 3.38Å; G577-F580 PolarHBondContact O-N 3.44Å; A578-F580 VanDerWaalsContact C-N 3.31Å; A578-F580 PolarHBondContact O-N 2.7Å; F580-M583 PolarHBondContact O-N 2.81Å; F580-N584 VanDerWaalsContact CE2-ND2 3.31Å; F580-N584 WeakPolarHBondContact CE2-ND2 3.45Å; F580-N584 VanDerWaalsContact CZ-ND2 3.28Å; F580-N584 WeakPolarHBondContact CZ-ND2 3.27Å; F580-N584 PolarHBondContact O-N 2.75Å; F580-N584 PolarHBondContact O-ND2 2.92Å; F580-I647 HydrophobicContact CD1-CB 4.33Å; F580-I647 HydrophobicContact CD1-CD1 4.16Å; F580-I647 HydrophobicContact CD1-CG1 3.99Å; F580-I647 HydrophobicContact CD1-CG2 3.6Å; F580-I647 HydrophobicContact CE1-CB 4.36Å; F580-I647 HydrophobicContact CE1-CG1 4.31Å; F580-I647 HydrophobicContact CE1-CG2 3.69Å; F580-I647 HydrophobicContact CG-CG2 4.13Å; F580-I647 HydrophobicContact CZ-CG2 4.28Å; F580-K651 HydrophobicContact CE2-CD 4.44Å; F580-K651 HydrophobicContact CE2-CG 4.25Å; F580-K651 HydrophobicContact CZ-CD 4.27Å; F580-K651 HydrophobicContact CZ-CG 3.69Å
581S95.1Very high94.4Very high0 Ų048.6 Ų48.60%024%0.243CC..Hα-helixtrans-60.3-49.9-179.4-60.20000111.6G577 A578 M583 N584 I585G577-S581 PolarHBondContact O-N 3.15Å; G577-S581 PolarHBondContact O-OG 3.01Å; G577-S581 VanDerWaalsContact O-OG 3.12Å; A578-S581 PolarHBondContact O-N 2.97Å; S581-M583 VanDerWaalsContact C-N 3.3Å; S581-M583 PolarHBondContact O-N 3.23Å; S581-N584 CarbonylContact O-C 3.57Å; S581-N584 PolarHBondContact O-N 3Å; S581-I585 WeakPolarHBondContact O-CB 3.36Å; S581-I585 WeakPolarHBondContact O-CD1 3.4Å; S581-I585 VanDerWaalsContact O-CG1 3.24Å; S581-I585 WeakPolarHBondContact O-CG1 3.12Å; S581-I585 PolarHBondContact O-N 2.77Å
582L94.4Very high94.2Very high32 Ų3255.4 Ų55.417%0.16828%0.275CS..Hα-helixtrans-58.7-40.2-179.6-74.6167.1000112.7M3 A578 N584 I585 G586 S694 L695M3-L582 HydrophobicContact SD-CD1 3.4Å; M3-L582 WeakPolarHBondContact SD-CD1 3.39Å; A578-L582 WeakPolarHBondContact O-CB 3.5Å; A578-L582 WeakPolarHBondContact O-CG 3.45Å; A578-L582 PolarHBondContact O-N 3.33Å; L582-N584 PolarHBondContact O-N 3.47Å; L582-I585 PolarHBondContact O-N 3.03Å; L582-G586 PolarHBondContact O-N 2.92Å; L582-S694 WeakPolarHBondContact CD2-O 3.48Å; L582-L695 HydrophobicContact CD2-CD2 3.53Å; L582-L695 HydrophobicContact CD2-CG 4.22Å; L582-L695 HydrophobicContact CG-CD2 4.09Å
583M93.2Very high94Very high126 Ų12657.1 Ų57.162%0.62128%0.284SS*.Hα-helixtrans-63-31.4176-172.5179.269.800112.6R579 F580 S581R579-M583 WeakPolarHBondContact O-CB 3.39Å; R579-M583 PolarHBondContact O-N 3.03Å; F580-M583 PolarHBondContact O-N 2.81Å; S581-M583 VanDerWaalsContact C-N 3.3Å; S581-M583 PolarHBondContact O-N 3.23Å
584N92.6Very high93.9Very high30 Ų3056.6 Ų56.616%0.1628%0.284CS..Hα-helixtrans-89.6-30.1-179.6-77.2-80.4000113.3F580 S581 L582 M654 R666F580-N584 VanDerWaalsContact CE2-ND2 3.31Å; F580-N584 WeakPolarHBondContact CE2-ND2 3.45Å; F580-N584 VanDerWaalsContact CZ-ND2 3.28Å; F580-N584 WeakPolarHBondContact CZ-ND2 3.27Å; F580-N584 PolarHBondContact O-N 2.75Å; F580-N584 PolarHBondContact O-ND2 2.92Å; S581-N584 CarbonylContact O-C 3.57Å; S581-N584 PolarHBondContact O-N 3Å; L582-N584 PolarHBondContact O-N 3.47Å; N584-M654 HydrophobicContact CB-CE 3.86Å; N584-M654 WeakPolarHBondContact O-CE 3.49Å; N584-R666 PolarHBondContact O-NE 3.1Å
585I93.3Very high93.7Very high5 Ų560.1 Ų60.13%0.02630%0.303CS..Hα-helixtrans-65.7-47.6172.6-69.4160.4000109.5S581 L582 F589 R666 L669 S670 L695 P696S581-I585 WeakPolarHBondContact O-CB 3.36Å; S581-I585 WeakPolarHBondContact O-CD1 3.4Å; S581-I585 VanDerWaalsContact O-CG1 3.24Å; S581-I585 WeakPolarHBondContact O-CG1 3.12Å; S581-I585 PolarHBondContact O-N 2.77Å; L582-I585 PolarHBondContact O-N 3.03Å; I585-F589 HydrophobicContact CG2-CB 3.62Å; I585-F589 HydrophobicContact CG2-CD1 3.88Å; I585-F589 HydrophobicContact CG2-CG 3.77Å; I585-R666 WeakPolarHBondContact O-CD 3.21Å; I585-L669 HydrophobicContact CD1-CB 4.23Å; I585-L669 HydrophobicContact CG1-CB 4.27Å; I585-S670 VanDerWaalsContact CD1-OG 3.23Å; I585-S670 WeakPolarHBondContact CD1-OG 3.22Å; I585-S670 WeakPolarHBondContact CG1-OG 3.41Å; I585-L695 HydrophobicContact CD1-CD2 4.3Å; I585-P696 HydrophobicContact CG2-CG 3.98Å
586G89.9Confident93.6Very high33 Ų3360.9 Ų60.934%0.3431%0.307SS..  trans88151.9-179.600000113L582 D588 F589L582-G586 PolarHBondContact O-N 2.92Å; G586-D588 VanDerWaalsContact C-N 3.29Å; G586-D588 PolarHBondContact O-N 3.09Å; G586-F589 PolarHBondContact O-N 2.99Å
587E86Confident93.4Very high170 Ų17063 Ų6379%0.79433%0.327SS*.THydrogen-bonded Turntrans-71.4-21.9-173.3-63.1-166.8143.500113.8M1M1-E587 PolarHBondContact N-OE1 3.3Å
588D89.1Confident93Very high150 Ų15064 Ų6480%0.80234%0.337SS*.THydrogen-bonded Turntrans-84.8-10-179.8-64.7-42000113.4G586G586-D588 VanDerWaalsContact C-N 3.29Å; G586-D588 PolarHBondContact O-N 3.09Å
589F92.9Very high92.7Very high20 Ų2069.3 Ų69.39%0.08837%0.365CS..  trans-77.7124.2-178.1-162.7-78.7000110I585 G586 D593 I594 R666 P696I585-F589 HydrophobicContact CG2-CB 3.62Å; I585-F589 HydrophobicContact CG2-CD1 3.88Å; I585-F589 HydrophobicContact CG2-CG 3.77Å; G586-F589 PolarHBondContact O-N 2.99Å; F589-D593 HydrophobicContact CD1-CB 4.13Å; F589-D593 HydrophobicContact CD2-CB 4.31Å; F589-D593 HydrophobicContact CE1-CB 3.9Å; F589-D593 HydrophobicContact CE2-CB 4.12Å; F589-D593 HydrophobicContact CG-CB 4.32Å; F589-D593 HydrophobicContact CZ-CB 3.9Å; F589-I594 HydrophobicContact CE1-CG1 3.76Å; F589-R666 HydrophobicContact CD2-CB 4.07Å; F589-R666 HydrophobicContact CE2-CB 3.5Å; F589-R666 VanDerWaalsContact CE2-CB 3.5Å; F589-R666 HydrophobicContact CE2-CG 4.35Å; F589-R666 HydrophobicContact CZ-CB 3.9Å; F589-P696 HydrophobicContact CD1-CB 4.42Å; F589-P696 HydrophobicContact CD1-CG 3.81Å; F589-P696 WeakPolarHBondContact O-CG 3.22Å
590K93.5Very high92.7Very high128 Ų12866 Ų6656%0.55735%0.354SS*.  trans-111.3171.7-175.7-56.6-176.2-179.8178.80112.1E592 D593K590-E592 WeakPolarHBondContact CB-OE2 3.5Å; K590-E592 PolarHBondContact O-N 3.4Å; K590-D593 PolarHBondContact N-OD2 2.99Å; K590-D593 WeakPolarHBondContact O-CB 3.33Å; K590-D593 PolarHBondContact O-N 3.33Å; K590-D593 VanDerWaalsContact O-N 3.12Å
591V93.1Very high92.7Very high39 Ų3965.2 Ų65.224%0.23635%0.353CS..G310 helixtrans-62.9-3318073.30000111.3D593 I594 E698V591-D593 PolarHBondContact O-N 2.83Å; V591-I594 HydrophobicContact CG2-CD1 4.17Å; V591-I594 WeakPolarHBondContact O-CB 3.34Å; V591-I594 PolarHBondContact O-N 2.65Å; V591-E698 HydrophobicContact CB-CG 4.45Å; V591-E698 HydrophobicContact CG1-CG 3.81Å; V591-E698 HydrophobicContact CG2-CG 4.18Å
592E94.2Very high92.7Very high142 Ų14266.1 Ų66.166%0.66436%0.358SS*.G310 helixtrans-72.4-17.3178.2-50.584.9177.200113K590 I594K590-E592 WeakPolarHBondContact CB-OE2 3.5Å; K590-E592 PolarHBondContact O-N 3.4Å; E592-I594 VanDerWaalsContact C-N 3.31Å
593D94.8Very high92.8Very high66 Ų6664.7 Ų64.735%0.35335%0.351SS..G310 helixtrans-83-9.9177.3-59.1-47.3000112.5F589 K590 V591 D595 Q663F589-D593 HydrophobicContact CD1-CB 4.13Å; F589-D593 HydrophobicContact CD2-CB 4.31Å; F589-D593 HydrophobicContact CE1-CB 3.9Å; F589-D593 HydrophobicContact CE2-CB 4.12Å; F589-D593 HydrophobicContact CG-CB 4.32Å; F589-D593 HydrophobicContact CZ-CB 3.9Å; K590-D593 PolarHBondContact N-OD2 2.99Å; K590-D593 WeakPolarHBondContact O-CB 3.33Å; K590-D593 PolarHBondContact O-N 3.33Å; K590-D593 VanDerWaalsContact O-N 3.12Å; V591-D593 PolarHBondContact O-N 2.83Å; D593-D595 PolarHBondContact O-N 2.88Å; D593-D595 VanDerWaalsContact O-N 3.13Å; D593-Q663 PolarHBondContact O-NE2 3.33Å; D593-Q663 VanDerWaalsContact O-NE2 3.16Å
594I95.4Very high93Very high46 Ų4658.7 Ų58.724%0.23632%0.321CS..  trans-71106.5177.2-60.4173.4000109.1F589 V591 E592 L596F589-I594 HydrophobicContact CE1-CG1 3.76Å; V591-I594 HydrophobicContact CG2-CD1 4.17Å; V591-I594 WeakPolarHBondContact O-CB 3.34Å; V591-I594 PolarHBondContact O-N 2.65Å; E592-I594 VanDerWaalsContact C-N 3.31Å; I594-L596 HydrophobicContact CG2-CG 4.46Å
595D94.1Very high93.2Very high78 Ų7860.3 Ų60.342%0.41733%0.327SS..  trans-122.6117.1173-175.88.7000111D593 S597 S667D593-D595 PolarHBondContact O-N 2.88Å; D593-D595 VanDerWaalsContact O-N 3.13Å; D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.27Å; D595-S597 PolarHBondContact OD1-N 3.24Å; D595-S597 PolarHBondContact OD1-OG 2.83Å; D595-S597 PolarHBondContact OD2-OG 2.59Å; D595-S667 PolarHBondContact N-OG 3.49Å; D595-S667 WeakPolarHBondContact O-CB 3.43Å; D595-S667 PolarHBondContact O-OG 3.29Å; D595-S667 VanDerWaalsContact O-OG 3.14Å
596L95.4Very high93.4Very high27 Ų2760.6 Ų60.614%0.14133%0.328CS..  trans-101.72.9177-57.9179.5000112.9I594 V668 Y671 L714I594-L596 HydrophobicContact CG2-CG 4.46Å; L596-V668 HydrophobicContact CD2-CB 4.48Å; L596-V668 HydrophobicContact CD2-CG2 3.76Å; L596-Y671 HydrophobicContact CD1-CD1 3.81Å; L596-Y671 HydrophobicContact CD1-CD2 4.02Å; L596-Y671 HydrophobicContact CD1-CE1 4.1Å; L596-Y671 HydrophobicContact CD1-CE2 4.32Å; L596-Y671 HydrophobicContact CD1-CG 3.77Å; L596-L714 HydrophobicContact CD1-CD1 4.04Å
597S91.8Very high93.8Very high104 Ų10459 Ų5973%0.72731%0.311SS*.SBendtrans-86.8-11.7178.774.20000113.6D595D595-S597 VanDerWaalsContact OD1-CB 3.29Å; D595-S597 WeakPolarHBondContact OD1-CB 3.27Å; D595-S597 PolarHBondContact OD1-N 3.24Å; D595-S597 PolarHBondContact OD1-OG 2.83Å; D595-S597 PolarHBondContact OD2-OG 2.59Å
598G87.4Confident94.4Very high25 Ų2550.9 Ų50.926%0.25827%0.274SS..SBendtrans-66.2-175.3176.100000114.1L600G598-L600 PolarHBondContact O-N 3.42Å
599N91.5Very high94.9Very high112 Ų11243.8 Ų43.860%0.59924%0.235SC*.  trans-75.186.3-177.6-170.728.2000112S601 Q661N599-S601 PolarHBondContact O-N 3.35Å; N599-Q661 PolarHBondContact O-NE2 2.99Å; N599-Q661 PolarHBondContact O-OE1 2.78Å
600L95.3Very high95.1Very high13 Ų1345.9 Ų45.97%0.06824%0.243CC..  trans-63.2126.4177.7-62.3170.6000111G598 D604 K605 L608 V664 V668 F716G598-L600 PolarHBondContact O-N 3.42Å; L600-D604 HydrophobicContact CB-CB 4.04Å; L600-D604 HydrophobicContact CD2-CB 3.93Å; L600-K605 HydrophobicContact CB-CD 4.43Å; L600-K605 HydrophobicContact CB-CG 3.67Å; L600-K605 HydrophobicContact CD1-CG 4.21Å; L600-K605 WeakPolarHBondContact O-CE 3.39Å; L600-L608 HydrophobicContact CD1-CD1 3.92Å; L600-L608 HydrophobicContact CD2-CD1 4.07Å; L600-V664 HydrophobicContact CD2-CG1 3.74Å; L600-V668 HydrophobicContact CD2-CG2 3.61Å; L600-F716 HydrophobicContact CD1-CE2 4.02Å; L600-F716 HydrophobicContact CD1-CZ 3.76Å
601S94Very high95.4Very high23 Ų2339.8 Ų39.816%0.16122%0.216CC..  trans-66.5167171.676.50000111.2N599 A603 D604 K605N599-S601 PolarHBondContact O-N 3.35Å; S601-A603 PolarHBondContact O-N 2.83Å; S601-A603 PolarHBondContact OG-N 3.03Å; S601-D604 VanDerWaalsContact CB-OD2 3.25Å; S601-D604 WeakPolarHBondContact CB-OD2 3.46Å; S601-D604 PolarHBondContact N-OD2 2.86Å; S601-D604 PolarHBondContact O-N 3.07Å; S601-D604 VanDerWaalsContact O-N 3.16Å; S601-D604 PolarHBondContact OG-N 2.9Å; S601-D604 PolarHBondContact OG-OD2 3.44Å; S601-K605 PolarHBondContact O-N 3.37Å
602L95.2Very high95.7Very high19 Ų1938 Ų3810%0.09921%0.205CC..Hα-helixtrans-54.2-42.5174.5-179.572.6000111.8W606 T722 M723 L726 N766 Y769L602-W606 WeakPolarHBondContact O-CB 3.48Å; L602-W606 PolarHBondContact O-N 2.76Å; L602-T722 HydrophobicContact CD1-CG2 3.91Å; L602-T722 HydrophobicContact CD2-CG2 3.69Å; L602-T722 HydrophobicContact CG-CG2 4.47Å; L602-M723 HydrophobicContact CD2-CE 3.92Å; L602-M723 HydrophobicContact CG-CE 3.94Å; L602-L726 HydrophobicContact CD2-CD1 3.41Å; L602-L726 VanDerWaalsContact CD2-CD1 3.41Å; L602-N766 HydrophobicContact CD2-CB 4.21Å; L602-N766 WeakPolarHBondContact CD2-OD1 3.46Å; L602-Y769 HydrophobicContact CB-CE2 4.1Å; L602-Y769 HydrophobicContact CD2-CD2 4.47Å; L602-Y769 HydrophobicContact CD2-CE2 4.03Å
603A96.1Very high95.8Very high2 Ų233.7 Ų33.72%0.01719%0.185CC..Hα-helixtrans-66.1-38.9179.600000112.1S601 W606 I607 Y646 M649 M723 Y769S601-A603 PolarHBondContact O-N 2.83Å; S601-A603 PolarHBondContact OG-N 3.03Å; A603-W606 PolarHBondContact O-N 3.49Å; A603-I607 WeakPolarHBondContact O-CG2 3.4Å; A603-I607 PolarHBondContact O-N 3.49Å; A603-Y646 HydrophobicContact CB-CD2 4.18Å; A603-Y646 HydrophobicContact CB-CE2 4.23Å; A603-M649 HydrophobicContact CB-CB 3.8Å; A603-M649 HydrophobicContact CB-CG 4.4Å; A603-M649 HydrophobicContact CB-SD 4Å; A603-M723 HydrophobicContact CB-CE 3.92Å; A603-Y769 HydrophobicContact CB-CE1 4.11Å; A603-Y769 PolarHBondContact N-OH 2.83Å
604D97.2Very high96Very high1 Ų130.9 Ų30.91%0.00517%0.17CC..Hα-helixtrans-64.4-48.9177.1-60.4-40.2000111.2L600 S601 W606 I607 L608 Y646 V668L600-D604 HydrophobicContact CB-CB 4.04Å; L600-D604 HydrophobicContact CD2-CB 3.93Å; S601-D604 VanDerWaalsContact CB-OD2 3.25Å; S601-D604 WeakPolarHBondContact CB-OD2 3.46Å; S601-D604 PolarHBondContact N-OD2 2.86Å; S601-D604 PolarHBondContact O-N 3.07Å; S601-D604 VanDerWaalsContact O-N 3.16Å; S601-D604 PolarHBondContact OG-N 2.9Å; S601-D604 PolarHBondContact OG-OD2 3.44Å; D604-W606 VanDerWaalsContact C-N 3.31Å; D604-W606 PolarHBondContact O-N 3.37Å; D604-I607 WeakPolarHBondContact O-CG2 3.47Å; D604-I607 PolarHBondContact O-N 3.13Å; D604-L608 WeakPolarHBondContact O-CB 3.14Å; D604-L608 WeakPolarHBondContact O-CG 3.48Å; D604-L608 PolarHBondContact O-N 3.33Å; D604-Y646 WeakPolarHBondContact OD1-CE2 3.45Å; D604-Y646 PolarHBondContact OD1-OH 3.45Å; D604-V668 HydrophobicContact CB-CG1 4.28Å; D604-V668 HydrophobicContact CB-CG2 3.98Å
605K97.7Very high96.2Very high64 Ų6428.7 Ų28.728%0.27816%0.159SC..Hα-helixtrans-59.7-43176.5-70.4179.9-176.51720111.8L600 S601 T609 F716 S719L600-K605 HydrophobicContact CB-CD 4.43Å; L600-K605 HydrophobicContact CB-CG 3.67Å; L600-K605 HydrophobicContact CD1-CG 4.21Å; L600-K605 WeakPolarHBondContact O-CE 3.39Å; S601-K605 PolarHBondContact O-N 3.37Å; K605-T609 WeakPolarHBondContact O-CB 2.88Å; K605-T609 PolarHBondContact O-N 2.81Å; K605-T609 PolarHBondContact O-OG1 2.95Å; K605-F716 HydrophobicContact CB-CB 3.89Å; K605-F716 HydrophobicContact CB-CD2 3.6Å; K605-F716 HydrophobicContact CB-CE2 4.21Å; K605-F716 HydrophobicContact CB-CG 3.77Å; K605-F716 HydrophobicContact CD-CB 4.49Å; K605-F716 HydrophobicContact CD-CD1 4.14Å; K605-F716 HydrophobicContact CD-CG 4.17Å; K605-F716 HydrophobicContact CG-CB 4.43Å; K605-F716 HydrophobicContact CG-CD1 4.19Å; K605-F716 HydrophobicContact CG-CD2 3.84Å; K605-F716 HydrophobicContact CG-CE1 4.39Å; K605-F716 HydrophobicContact CG-CE2 4.04Å; K605-F716 HydrophobicContact CG-CG 3.9Å; K605-F716 HydrophobicContact CG-CZ 4.32Å; K605-F716 WeakPolarHBondContact O-CD2 3.42Å; K605-S719 WeakPolarHBondContact CD-OG 3.34Å
606W97.9Very high96.4Very high10 Ų1027.2 Ų27.24%0.03816%0.158CC..Hα-helixtrans-62.9-51178.1167.366.7000112.1L602 A603 D604 L608 T609 R610 D641 W645 M649 M723L602-W606 WeakPolarHBondContact O-CB 3.48Å; L602-W606 PolarHBondContact O-N 2.76Å; A603-W606 PolarHBondContact O-N 3.49Å; D604-W606 VanDerWaalsContact C-N 3.31Å; D604-W606 PolarHBondContact O-N 3.37Å; W606-L608 VanDerWaalsContact C-N 3.32Å; W606-L608 PolarHBondContact O-N 2.79Å; W606-T609 WeakPolarHBondContact O-CB 3.35Å; W606-T609 PolarHBondContact O-N 3.27Å; W606-R610 HydrophobicContact CD2-CG 4.44Å; W606-R610 HydrophobicContact CG-CG 4.46Å; W606-R610 HydrophobicContact CZ2-CG 4.27Å; W606-R610 WeakPolarHBondContact O-CG 3.47Å; W606-R610 PolarHBondContact O-N 3.32Å; W606-D641 HydrophobicContact CH2-CB 3.93Å; W606-D641 WeakPolarHBondContact CH2-O 3.44Å; W606-D641 HydrophobicContact CZ2-CB 4.06Å; W606-W645 HydrophobicContact CH2-CB 3.53Å; W606-W645 HydrophobicContact CH2-CG 4.16Å; W606-W645 HydrophobicContact CZ3-CB 3.77Å; W606-M649 HydrophobicContact CZ3-SD 4.39Å; W606-M723 HydrophobicContact CB-CB 3.91Å; W606-M723 HydrophobicContact CB-CE 4.39Å; W606-M723 HydrophobicContact CB-CG 4.08Å; W606-M723 HydrophobicContact CD2-CB 4.19Å; W606-M723 HydrophobicContact CD2-CG 3.54Å; W606-M723 HydrophobicContact CE3-CE 4.4Å; W606-M723 HydrophobicContact CE3-CG 4.03Å; W606-M723 HydrophobicContact CG-CB 3.63Å; W606-M723 HydrophobicContact CG-CG 3.53Å
607I98.2Very high96.6Very high0 Ų029 Ų290%017%0.17CC..Hα-helixtrans-66.1-36.2-177.3-165.563.3000111.8A603 D604 T609 R610 L611 F637 D641 F642 Y646 V668 T672A603-I607 WeakPolarHBondContact O-CG2 3.4Å; A603-I607 PolarHBondContact O-N 3.49Å; D604-I607 WeakPolarHBondContact O-CG2 3.47Å; D604-I607 PolarHBondContact O-N 3.13Å; I607-T609 VanDerWaalsContact C-N 3.34Å; I607-R610 PolarHBondContact O-N 2.78Å; I607-L611 VanDerWaalsContact O-CB 3.3Å; I607-L611 WeakPolarHBondContact O-CB 3.36Å; I607-L611 PolarHBondContact O-N 3.05Å; I607-F637 HydrophobicContact CD1-CE2 3.66Å; I607-F637 HydrophobicContact CD1-CZ 3.98Å; I607-F637 HydrophobicContact CG1-CE2 4.5Å; I607-F637 HydrophobicContact CG1-CZ 4.46Å; I607-D641 HydrophobicContact CD1-CB 4.24Å; I607-F642 HydrophobicContact CD1-CB 4.39Å; I607-F642 HydrophobicContact CG1-CD2 4.47Å; I607-Y646 HydrophobicContact CB-CD1 4.29Å; I607-Y646 HydrophobicContact CB-CD2 3.65Å; I607-Y646 HydrophobicContact CB-CE2 4.15Å; I607-Y646 HydrophobicContact CB-CG 3.75Å; I607-Y646 HydrophobicContact CD1-CG 4.31Å; I607-Y646 HydrophobicContact CG1-CD1 3.98Å; I607-Y646 HydrophobicContact CG1-CD2 4.2Å; I607-Y646 HydrophobicContact CG1-CG 3.75Å; I607-Y646 HydrophobicContact CG2-CD1 4.02Å; I607-Y646 HydrophobicContact CG2-CD2 3.48Å; I607-Y646 VanDerWaalsContact CG2-CD2 3.48Å; I607-Y646 HydrophobicContact CG2-CE1 3.94Å; I607-Y646 HydrophobicContact CG2-CE2 3.43Å; I607-Y646 VanDerWaalsContact CG2-CE2 3.43Å; I607-Y646 HydrophobicContact CG2-CG 3.8Å; I607-V668 HydrophobicContact CG2-CG1 3.8Å; I607-T672 HydrophobicContact CG1-CG2 4.07Å
608L98.6Very high96.9Very high0 Ų024 Ų240%014%0.135CC..Hα-helixtrans-64.5-39.5175-71171.8000111.5L600 D604 W606 L611 N612 V668 Y671 L714 F716L600-L608 HydrophobicContact CD1-CD1 3.92Å; L600-L608 HydrophobicContact CD2-CD1 4.07Å; D604-L608 WeakPolarHBondContact O-CB 3.14Å; D604-L608 WeakPolarHBondContact O-CG 3.48Å; D604-L608 PolarHBondContact O-N 3.33Å; W606-L608 VanDerWaalsContact C-N 3.32Å; W606-L608 PolarHBondContact O-N 2.79Å; L608-L611 PolarHBondContact O-N 3.3Å; L608-N612 PolarHBondContact O-N 3.29Å; L608-N612 VanDerWaalsContact O-N 3.11Å; L608-N612 PolarHBondContact O-ND2 3.23Å; L608-V668 HydrophobicContact CD1-CG1 4.41Å; L608-V668 HydrophobicContact CD1-CG2 4.32Å; L608-V668 HydrophobicContact CD2-CG1 4.16Å; L608-V668 HydrophobicContact CG-CG1 4.07Å; L608-Y671 HydrophobicContact CD2-CD1 3.67Å; L608-Y671 HydrophobicContact CD2-CE1 3.98Å; L608-L714 CarbonylContact C-O 3.47Å; L608-L714 HydrophobicContact CB-CB 4.41Å; L608-L714 HydrophobicContact CD1-CD2 4.44Å; L608-F716 HydrophobicContact CB-CE2 4.48Å; L608-F716 HydrophobicContact CD1-CE2 4.43Å
609T98.5Very high97.4Very high0 Ų024.3 Ų24.30%013%0.132CC..Hα-helixtrans-62.4-49.5174-55.80000110.7K605 W606 I607 L611 N612 E613 L714 I715 F716 K720K605-T609 WeakPolarHBondContact O-CB 2.88Å; K605-T609 PolarHBondContact O-N 2.81Å; K605-T609 PolarHBondContact O-OG1 2.95Å; W606-T609 WeakPolarHBondContact O-CB 3.35Å; W606-T609 PolarHBondContact O-N 3.27Å; I607-T609 VanDerWaalsContact C-N 3.34Å; T609-L611 VanDerWaalsContact C-N 3.31Å; T609-L611 PolarHBondContact O-N 3.48Å; T609-N612 PolarHBondContact O-N 2.7Å; T609-E613 WeakPolarHBondContact O-CG 3.41Å; T609-E613 PolarHBondContact O-N 3.41Å; T609-L714 PolarHBondContact N-O 3.05Å; T609-I715 HydrophobicContact CG2-CG2 4.13Å; T609-F716 PolarHBondContact OG1-N 3.02Å; T609-K720 HydrophobicContact CG2-CB 4.23Å; T609-K720 HydrophobicContact CG2-CD 3.84Å
610R98.3Very high97.7Very high65 Ų6522.7 Ų22.725%0.24512%0.123CC..Hα-helixtrans-62.6-36.6179.2-68.2-62.6-62.1140.24.9112.6W606 I607 E613 T614 F637 D641W606-R610 HydrophobicContact CD2-CG 4.44Å; W606-R610 HydrophobicContact CG-CG 4.46Å; W606-R610 HydrophobicContact CZ2-CG 4.27Å; W606-R610 WeakPolarHBondContact O-CG 3.47Å; W606-R610 PolarHBondContact O-N 3.32Å; I607-R610 PolarHBondContact O-N 2.78Å; R610-E613 WeakPolarHBondContact CD-OE2 3.42Å; R610-E613 IonicContact CZ-OE2 2.7Å; R610-E613 IonicContact NE-OE2 3.03Å; R610-E613 IonicContact NH1-OE2 2.76Å; R610-E613 PolarHBondContact NH1-OE2 2.86Å; R610-T614 WeakPolarHBondContact O-CB 3.45Å; R610-T614 PolarHBondContact O-N 3.22Å; R610-T614 PolarHBondContact O-OG1 2.92Å; R610-F637 HydrophobicContact CB-CD2 4.12Å; R610-F637 HydrophobicContact CB-CE2 3.76Å; R610-D641 IonicContact CZ-OD2 3.38Å; R610-D641 IonicContact NE-OD2 3.68Å; R610-D641 PolarHBondContact NE-OD2 2.66Å; R610-D641 IonicContact NH2-OD2 3.49Å; R610-D641 PolarHBondContact NH2-OD2 2.87Å
611L98.7Very high97.8Very high0 Ų023.8 Ų23.80%013%0.129CC..Hα-helixtrans-61-48.5174.4177.464.2000110.9I607 L608 T609 E613 T614 I615 F637 Y671 T672 N675 M679I607-L611 VanDerWaalsContact O-CB 3.3Å; I607-L611 WeakPolarHBondContact O-CB 3.36Å; I607-L611 PolarHBondContact O-N 3.05Å; L608-L611 PolarHBondContact O-N 3.3Å; T609-L611 VanDerWaalsContact C-N 3.31Å; T609-L611 PolarHBondContact O-N 3.48Å; L611-E613 PolarHBondContact O-N 2.86Å; L611-T614 CarbonylContact O-C 3.48Å; L611-T614 WeakPolarHBondContact O-CB 3.26Å; L611-T614 PolarHBondContact O-N 2.86Å; L611-T614 VanDerWaalsContact O-N 3.14Å; L611-I615 HydrophobicContact CD1-CD1 4.15Å; L611-I615 HydrophobicContact CD1-CG1 4.31Å; L611-I615 HydrophobicContact CG-CD1 3.87Å; L611-I615 HydrophobicContact CG-CG1 4.45Å; L611-I615 VanDerWaalsContact O-CG1 3.31Å; L611-I615 WeakPolarHBondContact O-CG1 3.48Å; L611-I615 PolarHBondContact O-N 3.22Å; L611-F637 HydrophobicContact CB-CE2 4.26Å; L611-F637 HydrophobicContact CB-CZ 3.73Å; L611-F637 HydrophobicContact CD1-CE1 3.67Å; L611-F637 HydrophobicContact CD1-CZ 3.74Å; L611-F637 HydrophobicContact CG-CZ 4.35Å; L611-Y671 HydrophobicContact CD2-CD1 4.14Å; L611-Y671 HydrophobicContact CD2-CE1 3.92Å; L611-T672 HydrophobicContact CD2-CG2 4.4Å; L611-N675 HydrophobicContact CD1-CB 3.88Å; L611-N675 HydrophobicContact CD2-CB 4Å; L611-N675 HydrophobicContact CG-CB 4.41Å; L611-M679 HydrophobicContact CD1-CE 3.79Å
612N98.7Very high98Very high1 Ų123 Ų231%0.00512%0.123CC..Hα-helixtrans-62.4-43.6179.1-81.6-81.4000112.3L608 T609 T614 I615 A616 V710 R711 I715L608-N612 PolarHBondContact O-N 3.29Å; L608-N612 VanDerWaalsContact O-N 3.11Å; L608-N612 PolarHBondContact O-ND2 3.23Å; T609-N612 PolarHBondContact O-N 2.7Å; N612-T614 VanDerWaalsContact C-N 3.26Å; N612-T614 PolarHBondContact O-N 3.11Å; N612-I615 PolarHBondContact O-N 2.91Å; N612-A616 PolarHBondContact O-N 3.17Å; N612-V710 HydrophobicContact CB-CG1 4.3Å; N612-V710 WeakPolarHBondContact OD1-CA 3.48Å; N612-R711 PolarHBondContact OD1-N 3.39Å; N612-I715 HydrophobicContact CB-CD1 4.36Å; N612-I715 HydrophobicContact CB-CG1 4.05Å
613E98.2Very high98Very high51 Ų5125.3 Ų25.324%0.23814%0.136CC..Hα-helixtrans-59.9-38.2173.5-68.9178.115100111.9T609 R610 L611 T617 K720T609-E613 WeakPolarHBondContact O-CG 3.41Å; T609-E613 PolarHBondContact O-N 3.41Å; R610-E613 WeakPolarHBondContact CD-OE2 3.42Å; R610-E613 IonicContact CZ-OE2 2.7Å; R610-E613 IonicContact NE-OE2 3.03Å; R610-E613 IonicContact NH1-OE2 2.76Å; R610-E613 PolarHBondContact NH1-OE2 2.86Å; L611-E613 PolarHBondContact O-N 2.86Å; E613-T617 WeakPolarHBondContact O-CB 3.46Å; E613-T617 PolarHBondContact O-N 3.28Å; E613-T617 PolarHBondContact O-OG1 3.06Å; E613-K720 WeakPolarHBondContact OE1-CE 3.37Å; E613-K720 IonicContact OE1-NZ 3.43Å; E613-K720 PolarHBondContact OE1-NZ 3.17Å
614T98.7Very high97.9Very high7 Ų730.1 Ų30.14%0.04316%0.156CC..Hα-helixtrans-69.7-44177.7-56.60000111.3R610 L611 N612 A616 T617 V618 F637 M679R610-T614 WeakPolarHBondContact O-CB 3.45Å; R610-T614 PolarHBondContact O-N 3.22Å; R610-T614 PolarHBondContact O-OG1 2.92Å; L611-T614 CarbonylContact O-C 3.48Å; L611-T614 WeakPolarHBondContact O-CB 3.26Å; L611-T614 PolarHBondContact O-N 2.86Å; L611-T614 VanDerWaalsContact O-N 3.14Å; N612-T614 VanDerWaalsContact C-N 3.26Å; N612-T614 PolarHBondContact O-N 3.11Å; T614-A616 VanDerWaalsContact C-N 3.33Å; T614-A616 PolarHBondContact O-N 3.33Å; T614-T617 PolarHBondContact O-N 2.75Å; T614-V618 HydrophobicContact CG2-CG2 3.93Å; T614-V618 VanDerWaalsContact O-CB 3.3Å; T614-V618 WeakPolarHBondContact O-CB 3.38Å; T614-V618 VanDerWaalsContact O-CG2 3.26Å; T614-V618 WeakPolarHBondContact O-CG2 3.37Å; T614-V618 PolarHBondContact O-N 2.83Å; T614-F637 HydrophobicContact CG2-CB 3.87Å; T614-F637 HydrophobicContact CG2-CD1 4.05Å; T614-F637 HydrophobicContact CG2-CG 3.95Å; T614-F637 WeakPolarHBondContact OG1-CD2 3.29Å; T614-F637 WeakPolarHBondContact OG1-CG 3.44Å; T614-M679 HydrophobicContact CG2-CE 4.14Å; T614-M679 HydrophobicContact CG2-SD 4.25Å
615I98.8Very high97.9Very high1 Ų130.5 Ų30.51%0.00516%0.158CC..Hα-helixtrans-57.1-48.2175.4-69.6164.7000110.1L611 N612 T617 T619 M679 P708 V710L611-I615 HydrophobicContact CD1-CD1 4.15Å; L611-I615 HydrophobicContact CD1-CG1 4.31Å; L611-I615 HydrophobicContact CG-CD1 3.87Å; L611-I615 HydrophobicContact CG-CG1 4.45Å; L611-I615 VanDerWaalsContact O-CG1 3.31Å; L611-I615 WeakPolarHBondContact O-CG1 3.48Å; L611-I615 PolarHBondContact O-N 3.22Å; N612-I615 PolarHBondContact O-N 2.91Å; I615-T617 PolarHBondContact O-N 2.59Å; I615-T619 VanDerWaalsContact O-CB 3.27Å; I615-T619 WeakPolarHBondContact O-CB 3.39Å; I615-T619 PolarHBondContact O-N 2.66Å; I615-T619 PolarHBondContact O-OG1 3.28Å; I615-M679 HydrophobicContact CB-SD 4.36Å; I615-M679 HydrophobicContact CG1-CE 4.18Å; I615-M679 HydrophobicContact CG1-SD 3.69Å; I615-P708 HydrophobicContact CD1-CB 3.66Å; I615-P708 HydrophobicContact CG1-CB 3.75Å; I615-P708 HydrophobicContact CG2-CB 3.96Å; I615-P708 WeakPolarHBondContact CG2-O 3.21Å; I615-V710 HydrophobicContact CB-CG2 4.39Å; I615-V710 HydrophobicContact CG2-CG2 4.02Å
616A98.5Very high97.9Very high47 Ų4730.6 Ų30.639%0.38816%0.159SC..Hα-helixtrans-58.7-49.1177.700000111.6N612 T614 T619 D620 V710N612-A616 PolarHBondContact O-N 3.17Å; T614-A616 VanDerWaalsContact C-N 3.33Å; T614-A616 PolarHBondContact O-N 3.33Å; A616-T619 PolarHBondContact O-N 2.7Å; A616-D620 WeakPolarHBondContact O-CB 3.34Å; A616-D620 PolarHBondContact O-N 3.46Å; A616-V710 HydrophobicContact CB-CG2 3.87Å
617T98.6Very high97.9Very high64 Ų6430.5 Ų30.539%0.39316%0.159SC..Hα-helixtrans-65.4-47.2-177.3-58.30000112.1E613 T614 I615 T619 L621 A633E613-T617 WeakPolarHBondContact O-CB 3.46Å; E613-T617 PolarHBondContact O-N 3.28Å; E613-T617 PolarHBondContact O-OG1 3.06Å; T614-T617 PolarHBondContact O-N 2.75Å; I615-T617 PolarHBondContact O-N 2.59Å; T617-T619 VanDerWaalsContact C-N 3.31Å; T617-T619 PolarHBondContact O-N 2.66Å; T617-L621 HydrophobicContact CG2-CD1 3.68Å; T617-L621 HydrophobicContact CG2-CG 4.38Å; T617-L621 WeakPolarHBondContact O-CB 3.41Å; T617-L621 VanDerWaalsContact O-CG 3.29Å; T617-L621 WeakPolarHBondContact O-CG 3.15Å; T617-L621 PolarHBondContact O-N 3.26Å; T617-A633 HydrophobicContact CG2-CB 4.24Å
618V98.6Very high97.8Very high0 Ų031.1 Ų31.10%017%0.165CC..Hα-helixtrans-64.2-39.6179.51680000110.5T614 S622 V630 A633 L634 M679 W707T614-V618 HydrophobicContact CG2-CG2 3.93Å; T614-V618 VanDerWaalsContact O-CB 3.3Å; T614-V618 WeakPolarHBondContact O-CB 3.38Å; T614-V618 VanDerWaalsContact O-CG2 3.26Å; T614-V618 WeakPolarHBondContact O-CG2 3.37Å; T614-V618 PolarHBondContact O-N 2.83Å; V618-S622 VanDerWaalsContact O-CB 3.22Å; V618-S622 WeakPolarHBondContact O-CB 3.2Å; V618-S622 PolarHBondContact O-N 3.4Å; V618-S622 PolarHBondContact O-OG 3.04Å; V618-V630 HydrophobicContact CG1-CG1 3.84Å; V618-V630 HydrophobicContact CG2-CG1 4.35Å; V618-A633 HydrophobicContact CG2-CB 4.27Å; V618-L634 HydrophobicContact CG2-CD2 3.79Å; V618-L634 HydrophobicContact CG2-CG 3.89Å; V618-M679 HydrophobicContact CB-SD 4.31Å; V618-M679 HydrophobicContact CG1-SD 4.45Å; V618-M679 HydrophobicContact CG2-SD 4.35Å; V618-W707 HydrophobicContact CG1-CH2 4.3Å; V618-W707 HydrophobicContact CG1-CZ2 4.02Å
619T98.4Very high97.7Very high30 Ų3034.2 Ų34.218%0.18418%0.18CC..Hα-helixtrans-65-52.5178.4-54.40000111.1M67 I615 A616 T617 L621 S622 D623 W707M67-T619 HydrophobicContact CE-CG2 4.15Å; I615-T619 VanDerWaalsContact O-CB 3.27Å; I615-T619 WeakPolarHBondContact O-CB 3.39Å; I615-T619 PolarHBondContact O-N 2.66Å; I615-T619 PolarHBondContact O-OG1 3.28Å; A616-T619 PolarHBondContact O-N 2.7Å; T617-T619 VanDerWaalsContact C-N 3.31Å; T617-T619 PolarHBondContact O-N 2.66Å; T619-L621 PolarHBondContact O-N 3.34Å; T619-S622 PolarHBondContact O-N 3.01Å; T619-D623 PolarHBondContact O-N 3.07Å; T619-W707 PolarHBondContact OG1-NE1 2.76Å
620D98.2Very high97.7Very high79 Ų7934.2 Ų34.242%0.42218%0.18SC..Hα-helixtrans-60.9-44-179.6175.776.9000113A616 K624A616-D620 WeakPolarHBondContact O-CB 3.34Å; A616-D620 PolarHBondContact O-N 3.46Å; D620-K624 WeakPolarHBondContact O-CG 3.33Å; D620-K624 PolarHBondContact O-N 3.46Å; D620-K624 VanDerWaalsContact OD1-CE 3.31Å; D620-K624 WeakPolarHBondContact OD1-CE 3.24Å; D620-K624 IonicContact OD1-NZ 3.78Å; D620-K624 PolarHBondContact OD1-NZ 2.84Å; D620-K624 IonicContact OD2-NZ 3.08Å; D620-K624 PolarHBondContact OD2-NZ 3.45Å
621L97.8Very high97.7Very high35 Ų3531.3 Ų31.318%0.18317%0.17CC..Hα-helixtrans-70-35.6179.5-70.2172.5000112.3T617 T619 K624 Y625 E626 E629 V630T617-L621 HydrophobicContact CG2-CD1 3.68Å; T617-L621 HydrophobicContact CG2-CG 4.38Å; T617-L621 WeakPolarHBondContact O-CB 3.41Å; T617-L621 VanDerWaalsContact O-CG 3.29Å; T617-L621 WeakPolarHBondContact O-CG 3.15Å; T617-L621 PolarHBondContact O-N 3.26Å; T619-L621 PolarHBondContact O-N 3.34Å; L621-K624 CarbonylContact O-C 3.36Å; L621-K624 PolarHBondContact O-N 3.12Å; L621-Y625 PolarHBondContact O-N 3.21Å; L621-E626 HydrophobicContact CB-CB 4.29Å; L621-E626 HydrophobicContact CD2-CB 4.08Å; L621-E626 PolarHBondContact O-N 2.79Å; L621-E629 HydrophobicContact CD1-CB 3.8Å; L621-E629 HydrophobicContact CD2-CB 4.29Å; L621-V630 HydrophobicContact CB-CG2 3.53Å
622S97.1Very high97.6Very high6 Ų638 Ų384%0.04220%0.195CC..Hα-helixtrans-69.5-37.7177.6-57.90000111.9M67 V618 T619 K624 Y625 V630M67-S622 WeakPolarHBondContact SD-CB 3.46Å; V618-S622 VanDerWaalsContact O-CB 3.22Å; V618-S622 WeakPolarHBondContact O-CB 3.2Å; V618-S622 PolarHBondContact O-N 3.4Å; V618-S622 PolarHBondContact O-OG 3.04Å; T619-S622 PolarHBondContact O-N 3.01Å; S622-K624 PolarHBondContact O-N 2.9Å; S622-Y625 PolarHBondContact O-N 3.33Å; S622-V630 WeakPolarHBondContact OG-CG2 3.47Å
623D94.7Very high97.6Very high69 Ų6939 Ų3937%0.36920%0.203SC..Hα-helixtrans-64.2-19.7173.6-74.8-29.1000112.5K68 T619K68-D623 IonicContact NZ-OD1 3.18Å; K68-D623 PolarHBondContact NZ-OD1 3.43Å; T619-D623 PolarHBondContact O-N 3.07Å
624K95.3Very high97.6Very high102 Ų10236.6 Ų36.644%0.44319%0.192SC..THydrogen-bonded Turntrans-97.85.5173.3-65.5169-171160.50113.7D620 L621 S622 E626D620-K624 WeakPolarHBondContact O-CG 3.33Å; D620-K624 PolarHBondContact O-N 3.46Å; D620-K624 VanDerWaalsContact OD1-CE 3.31Å; D620-K624 WeakPolarHBondContact OD1-CE 3.24Å; D620-K624 IonicContact OD1-NZ 3.78Å; D620-K624 PolarHBondContact OD1-NZ 2.84Å; D620-K624 IonicContact OD2-NZ 3.08Å; D620-K624 PolarHBondContact OD2-NZ 3.45Å; L621-K624 CarbonylContact O-C 3.36Å; L621-K624 PolarHBondContact O-N 3.12Å; S622-K624 PolarHBondContact O-N 2.9Å; K624-E626 HydrophobicContact CB-CG 4.25Å; K624-E626 PolarHBondContact O-N 2.94Å
625Y97.2Very high97.5Very high9 Ų939.9 Ų39.94%0.03520%0.204CC..THydrogen-bonded Turntrans61.221.1-176.5-47.1-66.7000115.1Y37 I64 Y383 D506 L508 P553 L621 S622 F627Y37-Y625 PolarHBondContact OH-OH 3.46Å; I64-Y625 HydrophobicContact CD1-CD1 3.84Å; I64-Y625 HydrophobicContact CD1-CE1 3.7Å; I64-Y625 HydrophobicContact CG1-CD1 4.18Å; I64-Y625 HydrophobicContact CG1-CE1 4.08Å; Y383-Y625 AromaticContact CD1-CD2 3.86Å; Y383-Y625 HydrophobicContact CD1-CD2 3.86Å; Y383-Y625 HydrophobicContact CD1-CE2 4.34Å; Y383-Y625 HydrophobicContact CD2-CD2 4.04Å; Y383-Y625 AromaticContact CD2-CE2 3.87Å; Y383-Y625 HydrophobicContact CD2-CE2 3.87Å; Y383-Y625 HydrophobicContact CE1-CD2 4.2Å; Y383-Y625 HydrophobicContact CE1-CE2 4.35Å; Y383-Y625 HydrophobicContact CE2-CD2 4.37Å; Y383-Y625 AromaticContact CE2-CE2 3.89Å; Y383-Y625 HydrophobicContact CE2-CE2 3.89Å; Y383-Y625 AromaticContact CG-CD2 3.78Å; Y383-Y625 HydrophobicContact CG-CD2 3.78Å; Y383-Y625 HydrophobicContact CG-CE2 4.11Å; D506-Y625 HydrophobicContact CB-CE2 4.24Å; D506-Y625 WeakPolarHBondContact OD2-CE2 3.24Å; D506-Y625 PolarHBondContact OD2-OH 2.79Å; L508-Y625 HydrophobicContact CD1-CD2 4.27Å; L508-Y625 HydrophobicContact CD1-CG 4Å; L508-Y625 HydrophobicContact CD2-CD1 3.83Å; L508-Y625 HydrophobicContact CD2-CG 3.88Å; L508-Y625 HydrophobicContact CG-CG 4.39Å; P553-Y625 WeakPolarHBondContact CG-O 3.32Å; L621-Y625 PolarHBondContact O-N 3.21Å; S622-Y625 PolarHBondContact O-N 3.33Å; Y625-F627 HydrophobicContact CD1-CE2 4.22Å; Y625-F627 HydrophobicContact CD1-CZ 4.07Å; Y625-F627 PolarHBondContact O-N 3.41Å
626E96.5Very high97.5Very high66 Ų6643 Ų4331%0.30822%0.221SC..  trans-84.855.9-179.6-69.8-66.9173.500111.8L621 K624 G628 E629 V630L621-E626 HydrophobicContact CB-CB 4.29Å; L621-E626 HydrophobicContact CD2-CB 4.08Å; L621-E626 PolarHBondContact O-N 2.79Å; K624-E626 HydrophobicContact CB-CG 4.25Å; K624-E626 PolarHBondContact O-N 2.94Å; E626-G628 VanDerWaalsContact C-N 3.27Å; E626-G628 PolarHBondContact O-N 3.01Å; E626-E629 HydrophobicContact CB-CB 4.37Å; E626-E629 PolarHBondContact O-N 3.16Å; E626-V630 WeakPolarHBondContact O-CG2 3.29Å; E626-V630 PolarHBondContact O-N 3Å
627F97.7Very high97.5Very high8 Ų840.8 Ų40.84%0.03520%0.203CC..Hα-helixtrans-63.1-27.5-172-61.2-55.9000114.5L60 I63 I64 L508 A548 Y625 E629 V630 G631 F683L60-F627 HydrophobicContact CD2-CD2 3.62Å; L60-F627 HydrophobicContact CD2-CE2 4.08Å; L60-F627 HydrophobicContact CD2-CG 4.46Å; I63-F627 HydrophobicContact CG2-CD1 3.99Å; I63-F627 HydrophobicContact CG2-CE1 3.55Å; I63-F627 HydrophobicContact CG2-CZ 3.99Å; I64-F627 HydrophobicContact CD1-CE2 4.42Å; I64-F627 HydrophobicContact CD1-CZ 4.28Å; I64-F627 HydrophobicContact CG1-CE2 4.26Å; I64-F627 HydrophobicContact CG1-CZ 3.66Å; L508-F627 HydrophobicContact CD2-CE2 4.2Å; A548-F627 WeakPolarHBondContact O-CB 3.15Å; Y625-F627 HydrophobicContact CD1-CE2 4.22Å; Y625-F627 HydrophobicContact CD1-CZ 4.07Å; Y625-F627 PolarHBondContact O-N 3.41Å; F627-E629 VanDerWaalsContact C-N 3.35Å; F627-V630 PolarHBondContact O-N 2.87Å; F627-G631 PolarHBondContact O-N 3.16Å; F627-F683 HydrophobicContact CB-CE1 4.21Å; F627-F683 HydrophobicContact CD1-CE1 4.12Å; F627-F683 AromaticContact CD1-CZ 3.86Å; F627-F683 HydrophobicContact CD1-CZ 3.86Å; F627-F683 HydrophobicContact CG-CE1 4.46Å
628G96.1Very high97.5Very high13 Ų1337.9 Ų37.913%0.13419%0.185CC..Hα-helixtrans-59.8-44.7170.400000112.4E626 G631 R632E626-G628 VanDerWaalsContact C-N 3.27Å; E626-G628 PolarHBondContact O-N 3.01Å; G628-G631 PolarHBondContact O-N 2.8Å; G628-R632 PolarHBondContact O-N 3.15Å; G628-R632 VanDerWaalsContact O-N 3.13Å
629E97.3Very high97.4Very high66 Ų6640.6 Ų40.631%0.30820%0.195SC..Hα-helixtrans-74.4-34.6179.7-62.8-66111.800111.6L621 E626 F627 G631 R632 A633L621-E629 HydrophobicContact CD1-CB 3.8Å; L621-E629 HydrophobicContact CD2-CB 4.29Å; E626-E629 HydrophobicContact CB-CB 4.37Å; E626-E629 PolarHBondContact O-N 3.16Å; F627-E629 VanDerWaalsContact C-N 3.35Å; E629-G631 VanDerWaalsContact C-N 3.35Å; E629-R632 PolarHBondContact O-N 3.09Å; E629-R632 IonicContact OE1-CZ 3.33Å; E629-R632 IonicContact OE1-NH1 2.85Å; E629-R632 IonicContact OE2-CZ 3.96Å; E629-R632 IonicContact OE2-NE 2.92Å; E629-R632 IonicContact OE2-NH1 2.87Å; E629-R632 PolarHBondContact OE2-NH1 3.21Å; E629-R632 IonicContact OE2-NH2 2.87Å; E629-R632 PolarHBondContact OE2-NH2 2.87Å; E629-A633 PolarHBondContact O-N 3.28Å
630V98.3Very high97.2Very high0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-57.7-48.2169.2173.90000110.7V618 L621 S622 E626 F627 R632 A633 L634 F683V618-V630 HydrophobicContact CG1-CG1 3.84Å; V618-V630 HydrophobicContact CG2-CG1 4.35Å; L621-V630 HydrophobicContact CB-CG2 3.53Å; S622-V630 WeakPolarHBondContact OG-CG2 3.47Å; E626-V630 WeakPolarHBondContact O-CG2 3.29Å; E626-V630 PolarHBondContact O-N 3Å; F627-V630 PolarHBondContact O-N 2.87Å; V630-R632 VanDerWaalsContact C-N 3.32Å; V630-R632 PolarHBondContact O-N 2.93Å; V630-A633 PolarHBondContact O-N 2.77Å; V630-L634 HydrophobicContact CG1-CD1 3.75Å; V630-L634 HydrophobicContact CG1-CG 4.29Å; V630-L634 WeakPolarHBondContact O-CG 3.49Å; V630-L634 PolarHBondContact O-N 3.03Å; V630-F683 HydrophobicContact CB-CZ 4.18Å; V630-F683 HydrophobicContact CG1-CE1 4.44Å; V630-F683 HydrophobicContact CG1-CE2 3.83Å; V630-F683 HydrophobicContact CG1-CZ 3.5Å; V630-F683 VanDerWaalsContact CG1-CZ 3.5Å
631G97.4Very high97.2Very high3 Ų339.6 Ų39.63%0.03119%0.189CC..Hα-helixtrans-55-48176.700000111.9Y545 F627 G628 E629 A633 L634 Y635Y545-G631 VanDerWaalsContact OH-CA 3.32Å; Y545-G631 WeakPolarHBondContact OH-CA 3.4Å; Y545-G631 PolarHBondContact OH-O 3.2Å; F627-G631 PolarHBondContact O-N 3.16Å; G628-G631 PolarHBondContact O-N 2.8Å; E629-G631 VanDerWaalsContact C-N 3.35Å; G631-A633 PolarHBondContact O-N 3.06Å; G631-L634 PolarHBondContact O-N 2.87Å; G631-Y635 WeakPolarHBondContact O-CB 3.49Å; G631-Y635 PolarHBondContact O-N 3Å
632R97.1Very high97.2Very high142 Ų14238.1 Ų38.154%0.53618%0.18SC..Hα-helixtrans-61.8-43.3177-169-178.770.4-171.41.2112.7G628 E629 V630 Y635 N636G628-R632 PolarHBondContact O-N 3.15Å; G628-R632 VanDerWaalsContact O-N 3.13Å; E629-R632 PolarHBondContact O-N 3.09Å; E629-R632 IonicContact OE1-CZ 3.33Å; E629-R632 IonicContact OE1-NH1 2.85Å; E629-R632 IonicContact OE2-CZ 3.96Å; E629-R632 IonicContact OE2-NE 2.92Å; E629-R632 IonicContact OE2-NH1 2.87Å; E629-R632 PolarHBondContact OE2-NH1 3.21Å; E629-R632 IonicContact OE2-NH2 2.87Å; E629-R632 PolarHBondContact OE2-NH2 2.87Å; V630-R632 VanDerWaalsContact C-N 3.32Å; V630-R632 PolarHBondContact O-N 2.93Å; R632-Y635 PolarHBondContact O-N 3.26Å; R632-N636 WeakPolarHBondContact O-CB 3.44Å; R632-N636 PolarHBondContact O-N 3.31Å; R632-N636 PolarHBondContact O-ND2 2.7Å; R632-N636 PolarHBondContact O-OD1 2.8Å
633A98.2Very high97.2Very high21 Ų2138.2 Ų38.217%0.17418%0.181CC..Hα-helixtrans-62.3-46.1178.100000111.7T617 V618 E629 V630 G631 F637T617-A633 HydrophobicContact CG2-CB 4.24Å; V618-A633 HydrophobicContact CG2-CB 4.27Å; E629-A633 PolarHBondContact O-N 3.28Å; V630-A633 PolarHBondContact O-N 2.77Å; G631-A633 PolarHBondContact O-N 3.06Å; A633-F637 WeakPolarHBondContact O-CB 3.39Å; A633-F637 PolarHBondContact O-N 3.03Å
634L98.5Very high97.1Very high0 Ų037.9 Ų37.90%018%0.18CC..Hα-helixtrans-63.4-46176.5-71171.2000111.8V618 V630 G631 N636 F637 I638 M679 L680 F683V618-L634 HydrophobicContact CG2-CD2 3.79Å; V618-L634 HydrophobicContact CG2-CG 3.89Å; V630-L634 HydrophobicContact CG1-CD1 3.75Å; V630-L634 HydrophobicContact CG1-CG 4.29Å; V630-L634 WeakPolarHBondContact O-CG 3.49Å; V630-L634 PolarHBondContact O-N 3.03Å; G631-L634 PolarHBondContact O-N 2.87Å; L634-N636 PolarHBondContact O-N 3.03Å; L634-F637 PolarHBondContact O-N 2.86Å; L634-I638 HydrophobicContact CB-CD1 4.29Å; L634-I638 VanDerWaalsContact O-CB 3.28Å; L634-I638 WeakPolarHBondContact O-CB 3.49Å; L634-I638 WeakPolarHBondContact O-CD1 3.5Å; L634-I638 WeakPolarHBondContact O-CG1 3.18Å; L634-I638 PolarHBondContact O-N 3.08Å; L634-M679 HydrophobicContact CD2-CB 3.81Å; L634-M679 HydrophobicContact CD2-CE 4.37Å; L634-M679 HydrophobicContact CD2-SD 4.3Å; L634-L680 HydrophobicContact CD1-CD2 4.07Å; L634-F683 HydrophobicContact CD1-CD2 4.39Å; L634-F683 HydrophobicContact CD1-CE2 4.26Å
635Y97.9Very high97.1Very high77 Ų7733.8 Ų33.830%0.30216%0.161SC..Hα-helixtrans-57.4-51.6178.2-177.4-82.5000111.2F570 G631 R632 F637 I638 W639F570-Y635 HydrophobicContact CB-CD2 4.46Å; F570-Y635 HydrophobicContact CB-CE2 4.23Å; F570-Y635 HydrophobicContact CD1-CD2 4.06Å; F570-Y635 AromaticContact CD2-CD2 3.8Å; F570-Y635 HydrophobicContact CD2-CD2 3.8Å; F570-Y635 AromaticContact CD2-CE2 3.95Å; F570-Y635 HydrophobicContact CD2-CE2 3.95Å; F570-Y635 HydrophobicContact CE1-CD2 4.2Å; F570-Y635 AromaticContact CE2-CD2 3.92Å; F570-Y635 HydrophobicContact CE2-CD2 3.92Å; F570-Y635 HydrophobicContact CE2-CE2 4.43Å; F570-Y635 AromaticContact CG-CD2 3.85Å; F570-Y635 HydrophobicContact CG-CD2 3.85Å; F570-Y635 HydrophobicContact CG-CE2 4.04Å; F570-Y635 HydrophobicContact CZ-CD2 4.11Å; G631-Y635 WeakPolarHBondContact O-CB 3.49Å; G631-Y635 PolarHBondContact O-N 3Å; R632-Y635 PolarHBondContact O-N 3.26Å; Y635-F637 PolarHBondContact O-N 2.81Å; Y635-I638 PolarHBondContact O-N 3.49Å; Y635-W639 HydrophobicContact CD1-CB 4.38Å; Y635-W639 HydrophobicContact CD2-CE3 4.42Å; Y635-W639 HydrophobicContact CE1-CB 4.08Å; Y635-W639 HydrophobicContact CE1-CD2 4.47Å; Y635-W639 HydrophobicContact CE1-CE3 4.44Å; Y635-W639 HydrophobicContact CE1-CG 4.29Å; Y635-W639 HydrophobicContact CE2-CD2 4.29Å; Y635-W639 AromaticContact CE2-CE3 3.5Å; Y635-W639 HydrophobicContact CE2-CE3 3.5Å; Y635-W639 VanDerWaalsContact CE2-CE3 3.5Å; Y635-W639 HydrophobicContact CE2-CZ3 4.03Å; Y635-W639 AromaticContact CZ-CD2 3.86Å; Y635-W639 AromaticContact CZ-CE3 3.5Å; Y635-W639 WeakPolarHBondContact O-CB 3.31Å; Y635-W639 PolarHBondContact O-N 2.9Å; Y635-W639 VanDerWaalsContact OH-CE3 3.28Å
636N97.4Very high97.1Very high67 Ų6733.4 Ų33.436%0.35816%0.16SC..Iπ-helixtrans-62-45-178.4-67.7-8.6000111.5R632 L634 D640 D641R632-N636 WeakPolarHBondContact O-CB 3.44Å; R632-N636 PolarHBondContact O-N 3.31Å; R632-N636 PolarHBondContact O-ND2 2.7Å; R632-N636 PolarHBondContact O-OD1 2.8Å; L634-N636 PolarHBondContact O-N 3.03Å; N636-D640 WeakPolarHBondContact O-CA 3.33Å; N636-D640 WeakPolarHBondContact O-CB 3.29Å; N636-D640 PolarHBondContact O-N 3.35Å; N636-D641 PolarHBondContact O-N 3.14Å
637F98.5Very high97.1Very high0 Ų030.7 Ų30.70%015%0.147CC..Iπ-helixtrans-64.9-44.3179176.7-111.5000112.1I607 R610 L611 T614 A633 L634 Y635 D641 F642 T672 I676I607-F637 HydrophobicContact CD1-CE2 3.66Å; I607-F637 HydrophobicContact CD1-CZ 3.98Å; I607-F637 HydrophobicContact CG1-CE2 4.5Å; I607-F637 HydrophobicContact CG1-CZ 4.46Å; R610-F637 HydrophobicContact CB-CD2 4.12Å; R610-F637 HydrophobicContact CB-CE2 3.76Å; L611-F637 HydrophobicContact CB-CE2 4.26Å; L611-F637 HydrophobicContact CB-CZ 3.73Å; L611-F637 HydrophobicContact CD1-CE1 3.67Å; L611-F637 HydrophobicContact CD1-CZ 3.74Å; L611-F637 HydrophobicContact CG-CZ 4.35Å; T614-F637 HydrophobicContact CG2-CB 3.87Å; T614-F637 HydrophobicContact CG2-CD1 4.05Å; T614-F637 HydrophobicContact CG2-CG 3.95Å; T614-F637 WeakPolarHBondContact OG1-CD2 3.29Å; T614-F637 WeakPolarHBondContact OG1-CG 3.44Å; A633-F637 WeakPolarHBondContact O-CB 3.39Å; A633-F637 PolarHBondContact O-N 3.03Å; L634-F637 PolarHBondContact O-N 2.86Å; Y635-F637 PolarHBondContact O-N 2.81Å; F637-D641 HydrophobicContact CD2-CB 3.95Å; F637-D641 HydrophobicContact CE2-CB 4.37Å; F637-D641 CarbonylContact O-C 3.55Å; F637-D641 WeakPolarHBondContact O-CB 3.32Å; F637-D641 PolarHBondContact O-N 3.1Å; F637-F642 PolarHBondContact O-N 3.27Å; F637-T672 HydrophobicContact CZ-CG2 4.16Å; F637-I676 HydrophobicContact CD1-CG1 4.24Å; F637-I676 HydrophobicContact CE1-CD1 3.86Å; F637-I676 HydrophobicContact CE1-CG1 3.64Å
638I98.4Very high96.9Very high2 Ų233.3 Ų33.31%0.0116%0.16CC..Iπ-helixtrans-77-48-173.2-64.5167.9000111.1F570 I574 L634 Y635 C643 I676 L680F570-I638 HydrophobicContact CE2-CB 4.13Å; F570-I638 HydrophobicContact CE2-CG2 3.95Å; F570-I638 HydrophobicContact CZ-CB 4.23Å; F570-I638 HydrophobicContact CZ-CD1 4.09Å; F570-I638 HydrophobicContact CZ-CG2 4.32Å; I574-I638 HydrophobicContact CG1-CG2 3.75Å; L634-I638 HydrophobicContact CB-CD1 4.29Å; L634-I638 VanDerWaalsContact O-CB 3.28Å; L634-I638 WeakPolarHBondContact O-CB 3.49Å; L634-I638 WeakPolarHBondContact O-CD1 3.5Å; L634-I638 WeakPolarHBondContact O-CG1 3.18Å; L634-I638 PolarHBondContact O-N 3.08Å; Y635-I638 PolarHBondContact O-N 3.49Å; I638-C643 WeakPolarHBondContact O-CB 3.26Å; I638-C643 PolarHBondContact O-N 3.06Å; I638-C643 PolarHBondContact O-SG 3.07Å; I638-I676 HydrophobicContact CD1-CG2 3.59Å; I638-I676 HydrophobicContact CG1-CD1 4.42Å; I638-I676 HydrophobicContact CG1-CG1 4.34Å; I638-I676 HydrophobicContact CG1-CG2 3.75Å; I638-L680 HydrophobicContact CD1-CD1 3.56Å; I638-L680 HydrophobicContact CD1-CD2 4.12Å; I638-L680 HydrophobicContact CD1-CG 3.83Å
639W96.5Very high96.8Very high58 Ų5832.7 Ų32.722%0.2215%0.153CC..Iπ-helixtrans-73.6-56.4-177.6-163.5-61.1000110.7F570 K573 Y635 C643 D644F570-W639 HydrophobicContact CB-CE3 4.41Å; F570-W639 HydrophobicContact CB-CZ3 4.1Å; F570-W639 AromaticContact CD2-CE3 3.61Å; F570-W639 HydrophobicContact CD2-CE3 3.61Å; F570-W639 HydrophobicContact CD2-CZ3 4.11Å; F570-W639 HydrophobicContact CE2-CE3 4.36Å; F570-W639 HydrophobicContact CG-CE3 4.43Å; K573-W639 HydrophobicContact CB-CE3 4.13Å; K573-W639 HydrophobicContact CB-CH2 4.13Å; K573-W639 HydrophobicContact CB-CZ3 3.89Å; K573-W639 HydrophobicContact CD-CD2 4.45Å; K573-W639 HydrophobicContact CD-CZ2 4.17Å; K573-W639 HydrophobicContact CG-CD2 3.94Å; K573-W639 HydrophobicContact CG-CE3 3.95Å; K573-W639 HydrophobicContact CG-CH2 4.26Å; K573-W639 HydrophobicContact CG-CZ2 4.27Å; K573-W639 HydrophobicContact CG-CZ3 4.12Å; Y635-W639 HydrophobicContact CD1-CB 4.38Å; Y635-W639 HydrophobicContact CD2-CE3 4.42Å; Y635-W639 HydrophobicContact CE1-CB 4.08Å; Y635-W639 HydrophobicContact CE1-CD2 4.47Å; Y635-W639 HydrophobicContact CE1-CE3 4.44Å; Y635-W639 HydrophobicContact CE1-CG 4.29Å; Y635-W639 HydrophobicContact CE2-CD2 4.29Å; Y635-W639 AromaticContact CE2-CE3 3.5Å; Y635-W639 HydrophobicContact CE2-CE3 3.5Å; Y635-W639 VanDerWaalsContact CE2-CE3 3.5Å; Y635-W639 HydrophobicContact CE2-CZ3 4.03Å; Y635-W639 AromaticContact CZ-CD2 3.86Å; Y635-W639 AromaticContact CZ-CE3 3.5Å; Y635-W639 WeakPolarHBondContact O-CB 3.31Å; Y635-W639 PolarHBondContact O-N 2.9Å; Y635-W639 VanDerWaalsContact OH-CE3 3.28Å; W639-C643 WeakPolarHBondContact O-CB 3.42Å; W639-D644 WeakPolarHBondContact O-CB 3.27Å; W639-D644 PolarHBondContact O-N 3.13Å
640D95.3Very high96.6Very high64 Ų6429.7 Ų29.734%0.34214%0.139SC..Iπ-helixtrans-81.3-53.7-170.3-53.5-29.7000110.6N636 D644 W645N636-D640 WeakPolarHBondContact O-CA 3.33Å; N636-D640 WeakPolarHBondContact O-CB 3.29Å; N636-D640 PolarHBondContact O-N 3.35Å; D640-D644 WeakPolarHBondContact O-CB 3.32Å; D640-W645 PolarHBondContact O-N 3.35Å
641D97.3Very high96.3Very high24 Ų2432 Ų3213%0.12815%0.149CC..Iπ-helixtrans-76.3-51.7-173.4-65.2-23.9000111.9W606 I607 R610 N636 F637 W645 Y646W606-D641 HydrophobicContact CH2-CB 3.93Å; W606-D641 WeakPolarHBondContact CH2-O 3.44Å; W606-D641 HydrophobicContact CZ2-CB 4.06Å; I607-D641 HydrophobicContact CD1-CB 4.24Å; R610-D641 IonicContact CZ-OD2 3.38Å; R610-D641 IonicContact NE-OD2 3.68Å; R610-D641 PolarHBondContact NE-OD2 2.66Å; R610-D641 IonicContact NH2-OD2 3.49Å; R610-D641 PolarHBondContact NH2-OD2 2.87Å; N636-D641 PolarHBondContact O-N 3.14Å; F637-D641 HydrophobicContact CD2-CB 3.95Å; F637-D641 HydrophobicContact CE2-CB 4.37Å; F637-D641 CarbonylContact O-C 3.55Å; F637-D641 WeakPolarHBondContact O-CB 3.32Å; F637-D641 PolarHBondContact O-N 3.1Å; D641-W645 WeakPolarHBondContact O-CB 3.36Å; D641-Y646 PolarHBondContact O-N 3.02Å
642F98.2Very high96Very high3 Ų334.2 Ų34.21%0.01316%0.16CC..Iπ-helixtrans-78-56.1-174.6-179.6-109.4000112.7I607 F637 Y646 I647 L669 T672 L673 I676I607-F642 HydrophobicContact CD1-CB 4.39Å; I607-F642 HydrophobicContact CG1-CD2 4.47Å; F637-F642 PolarHBondContact O-N 3.27Å; F642-Y646 AromaticContact CD2-CD1 3.85Å; F642-Y646 HydrophobicContact CD2-CD1 3.85Å; F642-Y646 AromaticContact CE2-CD1 3.84Å; F642-Y646 HydrophobicContact CE2-CD1 3.84Å; F642-Y646 HydrophobicContact CE2-CE1 4.38Å; F642-Y646 PolarHBondContact O-N 3.39Å; F642-I647 HydrophobicContact CD1-CD1 4.14Å; F642-I647 HydrophobicContact CE1-CD1 3.67Å; F642-I647 HydrophobicContact CE1-CG1 4.24Å; F642-I647 HydrophobicContact CZ-CD1 4.04Å; F642-I647 HydrophobicContact CZ-CG1 4.2Å; F642-I647 PolarHBondContact O-N 3.31Å; F642-L669 HydrophobicContact CE2-CD2 4.27Å; F642-L669 HydrophobicContact CZ-CD2 4.41Å; F642-T672 HydrophobicContact CD2-CG2 3.69Å; F642-T672 HydrophobicContact CE2-CG2 3.81Å; F642-L673 HydrophobicContact CE1-CD1 4.07Å; F642-L673 HydrophobicContact CZ-CB 4.41Å; F642-L673 HydrophobicContact CZ-CD1 4.22Å; F642-I676 HydrophobicContact CB-CD1 4.14Å; F642-I676 HydrophobicContact CD1-CD1 3.76Å; F642-I676 HydrophobicContact CD2-CD1 4.02Å; F642-I676 HydrophobicContact CE1-CD1 4.13Å; F642-I676 HydrophobicContact CE2-CD1 4.36Å; F642-I676 HydrophobicContact CG-CD1 3.7Å; F642-I676 HydrophobicContact CZ-CD1 4.41Å
643C96.6Very high95.7Very high8 Ų828 Ų285%0.05414%0.138CC..Iπ-helixtrans-76.7-47.6-174.4-77.10000113.9K573 I638 W639K573-C643 HydrophobicContact CD-CB 4.48Å; K573-C643 VanDerWaalsContact CE-CB 3.48Å; I638-C643 WeakPolarHBondContact O-CB 3.26Å; I638-C643 PolarHBondContact O-N 3.06Å; I638-C643 PolarHBondContact O-SG 3.07Å; W639-C643 WeakPolarHBondContact O-CB 3.42Å
644D93.4Very high95.3Very high63 Ų6327.9 Ų27.934%0.33713%0.134SC..Iπ-helixtrans-79.4-27.9-173.5-75.30.1000112.9K573 W639 D640K573-D644 IonicContact NZ-OD1 2.88Å; K573-D644 PolarHBondContact NZ-OD1 3.32Å; W639-D644 WeakPolarHBondContact O-CB 3.27Å; W639-D644 PolarHBondContact O-N 3.13Å; D640-D644 WeakPolarHBondContact O-CB 3.32Å
645W95.5Very high94.9Very high16 Ų1633.8 Ų33.86%0.06117%0.166CC..Iπ-helixtrans-110.5-64.4179.7-69.4113000113.8W606 D640 D641 I647 E648 M649 V727 I730 K731 F773W606-W645 HydrophobicContact CH2-CB 3.53Å; W606-W645 HydrophobicContact CH2-CG 4.16Å; W606-W645 HydrophobicContact CZ3-CB 3.77Å; D640-W645 PolarHBondContact O-N 3.35Å; D641-W645 WeakPolarHBondContact O-CB 3.36Å; W645-I647 PolarHBondContact O-N 3.05Å; W645-E648 PolarHBondContact O-N 2.99Å; W645-E648 VanDerWaalsContact O-N 3.11Å; W645-M649 HydrophobicContact CB-SD 4.43Å; W645-M649 HydrophobicContact CD2-CE 4.39Å; W645-M649 HydrophobicContact CE3-CE 3.56Å; W645-M649 HydrophobicContact CZ3-CE 4.16Å; W645-M649 WeakPolarHBondContact O-CB 3.26Å; W645-M649 VanDerWaalsContact O-CG 3.32Å; W645-M649 WeakPolarHBondContact O-CG 3.33Å; W645-M649 PolarHBondContact O-N 3.49Å; W645-V727 HydrophobicContact CD2-CG2 3.94Å; W645-V727 HydrophobicContact CE3-CG2 4.05Å; W645-V727 HydrophobicContact CH2-CB 4.36Å; W645-V727 HydrophobicContact CH2-CG1 4.05Å; W645-V727 HydrophobicContact CH2-CG2 4.14Å; W645-V727 HydrophobicContact CZ2-CB 4.25Å; W645-V727 HydrophobicContact CZ2-CG1 3.51Å; W645-V727 HydrophobicContact CZ2-CG2 4.1Å; W645-V727 HydrophobicContact CZ3-CG2 4.12Å; W645-I730 HydrophobicContact CH2-CB 3.99Å; W645-I730 HydrophobicContact CH2-CD1 4.32Å; W645-I730 HydrophobicContact CH2-CG2 3.66Å; W645-I730 HydrophobicContact CZ3-CB 4.35Å; W645-I730 HydrophobicContact CZ3-CD1 3.86Å; W645-I730 HydrophobicContact CZ3-CG2 3.99Å; W645-K731 HydrophobicContact CZ2-CG 4.23Å; W645-F773 HydrophobicContact CE3-CZ 4.46Å
646Y97.4Very high94.5Very high0 Ų031.9 Ų31.90%016%0.164CC..Iπ-helixtrans-64.3-43-168.9-177.5-111.9000113.1A603 D604 I607 D641 F642 E648 M649 S650 V668 L669A603-Y646 HydrophobicContact CB-CD2 4.18Å; A603-Y646 HydrophobicContact CB-CE2 4.23Å; D604-Y646 WeakPolarHBondContact OD1-CE2 3.45Å; D604-Y646 PolarHBondContact OD1-OH 3.45Å; I607-Y646 HydrophobicContact CB-CD1 4.29Å; I607-Y646 HydrophobicContact CB-CD2 3.65Å; I607-Y646 HydrophobicContact CB-CE2 4.15Å; I607-Y646 HydrophobicContact CB-CG 3.75Å; I607-Y646 HydrophobicContact CD1-CG 4.31Å; I607-Y646 HydrophobicContact CG1-CD1 3.98Å; I607-Y646 HydrophobicContact CG1-CD2 4.2Å; I607-Y646 HydrophobicContact CG1-CG 3.75Å; I607-Y646 HydrophobicContact CG2-CD1 4.02Å; I607-Y646 HydrophobicContact CG2-CD2 3.48Å; I607-Y646 VanDerWaalsContact CG2-CD2 3.48Å; I607-Y646 HydrophobicContact CG2-CE1 3.94Å; I607-Y646 HydrophobicContact CG2-CE2 3.43Å; I607-Y646 VanDerWaalsContact CG2-CE2 3.43Å; I607-Y646 HydrophobicContact CG2-CG 3.8Å; D641-Y646 PolarHBondContact O-N 3.02Å; F642-Y646 AromaticContact CD2-CD1 3.85Å; F642-Y646 HydrophobicContact CD2-CD1 3.85Å; F642-Y646 AromaticContact CE2-CD1 3.84Å; F642-Y646 HydrophobicContact CE2-CD1 3.84Å; F642-Y646 HydrophobicContact CE2-CE1 4.38Å; F642-Y646 PolarHBondContact O-N 3.39Å; Y646-E648 VanDerWaalsContact C-N 3.28Å; Y646-E648 PolarHBondContact O-N 3.28Å; Y646-M649 PolarHBondContact O-N 3.07Å; Y646-S650 WeakPolarHBondContact O-CB 3.44Å; Y646-S650 PolarHBondContact O-N 3.48Å; Y646-S650 PolarHBondContact O-OG 3.04Å; Y646-V668 HydrophobicContact CE1-CG1 4.19Å; Y646-V668 HydrophobicContact CE2-CG1 4.43Å; Y646-V668 VanDerWaalsContact OH-CB 3.28Å; Y646-V668 WeakPolarHBondContact OH-CB 3.19Å; Y646-V668 WeakPolarHBondContact OH-CG1 3.33Å; Y646-L669 HydrophobicContact CD1-CD2 4.15Å; Y646-L669 HydrophobicContact CE1-CD2 3.64Å; Y646-L669 HydrophobicContact CE1-CG 4.05Å
647I95.9Very high94.2Very high10 Ų1036.5 Ų36.55%0.05119%0.189CC..Hα-helixtrans-59.3-38.4174.4-84.2177.7000111.8F580 F642 W645 S650 K651F580-I647 HydrophobicContact CD1-CB 4.33Å; F580-I647 HydrophobicContact CD1-CD1 4.16Å; F580-I647 HydrophobicContact CD1-CG1 3.99Å; F580-I647 HydrophobicContact CD1-CG2 3.6Å; F580-I647 HydrophobicContact CE1-CB 4.36Å; F580-I647 HydrophobicContact CE1-CG1 4.31Å; F580-I647 HydrophobicContact CE1-CG2 3.69Å; F580-I647 HydrophobicContact CG-CG2 4.13Å; F580-I647 HydrophobicContact CZ-CG2 4.28Å; F642-I647 HydrophobicContact CD1-CD1 4.14Å; F642-I647 HydrophobicContact CE1-CD1 3.67Å; F642-I647 HydrophobicContact CE1-CG1 4.24Å; F642-I647 HydrophobicContact CZ-CD1 4.04Å; F642-I647 HydrophobicContact CZ-CG1 4.2Å; F642-I647 PolarHBondContact O-N 3.31Å; W645-I647 PolarHBondContact O-N 3.05Å; I647-S650 PolarHBondContact O-OG 3.18Å; I647-K651 WeakPolarHBondContact O-CG 3.49Å
648E93.7Very high93.8Very high63 Ų6340.2 Ų40.229%0.29421%0.208SC..Hα-helixtrans-74.6-34.5178.2-66.6-58.2137.600112.4W645 Y646 K651 F773W645-E648 PolarHBondContact O-N 2.99Å; W645-E648 VanDerWaalsContact O-N 3.11Å; Y646-E648 VanDerWaalsContact C-N 3.28Å; Y646-E648 PolarHBondContact O-N 3.28Å; E648-K651 WeakPolarHBondContact O-CB 3.49Å; E648-K651 IonicContact OE1-NZ 3.23Å; E648-K651 PolarHBondContact OE1-NZ 2.95Å; E648-K651 WeakPolarHBondContact OE2-CE 3.3Å; E648-K651 IonicContact OE2-NZ 2.8Å; E648-K651 PolarHBondContact OE2-NZ 3.23Å; E648-F773 HydrophobicContact CB-CE1 3.59Å; E648-F773 HydrophobicContact CB-CZ 3.6Å; E648-F773 HydrophobicContact CG-CE1 4.41Å
649M93.9Very high93.5Very high0 Ų045.2 Ų45.20%023%0.231CC..Hα-helixtrans-71.4-40.2176.8-74.1170.517400112.2A603 W606 W645 Y646 K651 I652 P653 M723 V727 Y769 F773A603-M649 HydrophobicContact CB-CB 3.8Å; A603-M649 HydrophobicContact CB-CG 4.4Å; A603-M649 HydrophobicContact CB-SD 4Å; W606-M649 HydrophobicContact CZ3-SD 4.39Å; W645-M649 HydrophobicContact CB-SD 4.43Å; W645-M649 HydrophobicContact CD2-CE 4.39Å; W645-M649 HydrophobicContact CE3-CE 3.56Å; W645-M649 HydrophobicContact CZ3-CE 4.16Å; W645-M649 WeakPolarHBondContact O-CB 3.26Å; W645-M649 VanDerWaalsContact O-CG 3.32Å; W645-M649 WeakPolarHBondContact O-CG 3.33Å; W645-M649 PolarHBondContact O-N 3.49Å; Y646-M649 PolarHBondContact O-N 3.07Å; M649-K651 PolarHBondContact O-N 3.09Å; M649-K651 VanDerWaalsContact O-N 3.16Å; M649-I652 WeakPolarHBondContact O-CB 3.18Å; M649-I652 PolarHBondContact O-N 3.47Å; M649-P653 WeakPolarHBondContact O-CD 3.03Å; M649-M723 HydrophobicContact CE-CE 3.91Å; M649-M723 HydrophobicContact CE-SD 3.37Å; M649-M723 WeakPolarHBondContact CE-SD 3.28Å; M649-M723 HydrophobicContact SD-CE 3.57Å; M649-M723 VanDerWaalsContact SD-CE 3.57Å; M649-M723 HydrophobicContact SD-SD 3.85Å; M649-V727 HydrophobicContact CE-CG2 4.42Å; M649-Y769 HydrophobicContact CB-CD1 4.44Å; M649-Y769 HydrophobicContact CB-CE1 4.06Å; M649-Y769 HydrophobicContact CE-CD1 4.48Å; M649-Y769 HydrophobicContact CG-CD1 3.93Å; M649-Y769 HydrophobicContact CG-CE1 3.98Å; M649-Y769 HydrophobicContact SD-CD1 4.48Å; M649-Y769 HydrophobicContact SD-CE1 4.45Å; M649-F773 HydrophobicContact CE-CE2 4.01Å; M649-F773 HydrophobicContact CG-CE2 3.6Å; M649-F773 HydrophobicContact CG-CZ 3.77Å
650S93.6Very high93.3Very high2 Ų249.1 Ų49.11%0.01425%0.252CS..Hα-helixtrans-62.6-22.3178.867.40000112.4Y646 I647 I652 P653 M654Y646-S650 WeakPolarHBondContact O-CB 3.44Å; Y646-S650 PolarHBondContact O-N 3.48Å; Y646-S650 PolarHBondContact O-OG 3.04Å; I647-S650 PolarHBondContact O-OG 3.18Å; S650-I652 PolarHBondContact O-N 3.1Å; S650-P653 VanDerWaalsContact O-CD 3.24Å; S650-P653 WeakPolarHBondContact O-CD 3.47Å; S650-P653 WeakPolarHBondContact O-CG 3.44Å; S650-M654 VanDerWaalsContact O-CB 3.24Å; S650-M654 WeakPolarHBondContact O-CB 3.44Å; S650-M654 WeakPolarHBondContact O-CG 3.41Å; S650-M654 PolarHBondContact O-N 2.93Å
651K92.6Very high93.1Very high49 Ų4947.4 Ų47.421%0.21324%0.242CC..Hα-helixtrans-61.1-23.3171.4-66.8172.2-167.31770113.4F580 I647 E648 M649 N655F580-K651 HydrophobicContact CE2-CD 4.44Å; F580-K651 HydrophobicContact CE2-CG 4.25Å; F580-K651 HydrophobicContact CZ-CD 4.27Å; F580-K651 HydrophobicContact CZ-CG 3.69Å; I647-K651 WeakPolarHBondContact O-CG 3.49Å; E648-K651 WeakPolarHBondContact O-CB 3.49Å; E648-K651 IonicContact OE1-NZ 3.23Å; E648-K651 PolarHBondContact OE1-NZ 2.95Å; E648-K651 WeakPolarHBondContact OE2-CE 3.3Å; E648-K651 IonicContact OE2-NZ 2.8Å; E648-K651 PolarHBondContact OE2-NZ 3.23Å; M649-K651 PolarHBondContact O-N 3.09Å; M649-K651 VanDerWaalsContact O-N 3.16Å; K651-N655 VanDerWaalsContact O-CB 3.29Å; K651-N655 WeakPolarHBondContact O-CB 3.42Å; K651-N655 VanDerWaalsContact O-CG 3.31Å; K651-N655 PolarHBondContact O-N 3.14Å; K651-N655 VanDerWaalsContact O-N 3.09Å; K651-N655 PolarHBondContact O-ND2 3.02Å
652I90.5Very high93Very high49 Ų4947.6 Ų47.625%0.25124%0.242SC..Hα-helixtrans-66.8-61.4179.1-60.5172.1000110.1M649 S650 M654 N655 S656 Y769 K772M649-I652 WeakPolarHBondContact O-CB 3.18Å; M649-I652 PolarHBondContact O-N 3.47Å; S650-I652 PolarHBondContact O-N 3.1Å; I652-M654 VanDerWaalsContact C-N 3.33Å; I652-M654 PolarHBondContact O-N 2.94Å; I652-N655 PolarHBondContact O-N 3.26Å; I652-S656 PolarHBondContact O-N 3.49Å; I652-Y769 HydrophobicContact CD1-CD1 3.63Å; I652-Y769 HydrophobicContact CD1-CE1 3.9Å; I652-Y769 HydrophobicContact CD1-CG 4.49Å; I652-K772 HydrophobicContact CD1-CB 4.07Å; I652-K772 HydrophobicContact CD1-CG 4.19Å; I652-K772 HydrophobicContact CG1-CB 4.5Å; I652-K772 HydrophobicContact CG1-CG 4.24Å
653P90.5Very high92.8Very high13 Ų1350.5 Ų50.58%0.08426%0.256CS..Hα-helixtrans-64-37.1175.424.6-33.7000112.3M649 S650 N655 S656 Q661 K662 T665M649-P653 WeakPolarHBondContact O-CD 3.03Å; S650-P653 VanDerWaalsContact O-CD 3.24Å; S650-P653 WeakPolarHBondContact O-CD 3.47Å; S650-P653 WeakPolarHBondContact O-CG 3.44Å; P653-N655 VanDerWaalsContact C-N 3.28Å; P653-N655 PolarHBondContact O-N 2.78Å; P653-S656 VanDerWaalsContact O-CB 3.3Å; P653-S656 WeakPolarHBondContact O-CB 3.43Å; P653-S656 PolarHBondContact O-N 3.12Å; P653-S656 PolarHBondContact O-OG 2.86Å; P653-Q661 HydrophobicContact CB-CB 4.33Å; P653-Q661 HydrophobicContact CB-CG 3.53Å; P653-K662 WeakPolarHBondContact O-CG 3.42Å; P653-T665 HydrophobicContact CG-CG2 4.18Å; P653-T665 VanDerWaalsContact CG-OG1 3.26Å; P653-T665 WeakPolarHBondContact CG-OG1 3.44Å
654M90.2Very high92.7Very high18 Ų1850.5 Ų50.59%0.08926%0.255CS..Hα-helixtrans-63-29-179.8-72.6-59.3-53.500114.4N584 S650 I652 K662 T665 R666N584-M654 HydrophobicContact CB-CE 3.86Å; N584-M654 WeakPolarHBondContact O-CE 3.49Å; S650-M654 VanDerWaalsContact O-CB 3.24Å; S650-M654 WeakPolarHBondContact O-CB 3.44Å; S650-M654 WeakPolarHBondContact O-CG 3.41Å; S650-M654 PolarHBondContact O-N 2.93Å; I652-M654 VanDerWaalsContact C-N 3.33Å; I652-M654 PolarHBondContact O-N 2.94Å; M654-K662 VanDerWaalsContact O-CE 3.26Å; M654-K662 WeakPolarHBondContact O-CE 3.5Å; M654-K662 HydrophobicContact SD-CB 4.25Å; M654-K662 HydrophobicContact SD-CG 4.25Å; M654-T665 HydrophobicContact CG-CG2 3.9Å; M654-T665 HydrophobicContact SD-CG2 4.14Å; M654-R666 HydrophobicContact SD-CG 4.25Å
655N90.2Very high92.8Very high124 Ų12447.5 Ų47.566%0.66324%0.239SC*.THydrogen-bonded Turntrans-95.62.2175.5-67.9-51.2000113.5K651 I652 P653K651-N655 VanDerWaalsContact O-CB 3.29Å; K651-N655 WeakPolarHBondContact O-CB 3.42Å; K651-N655 VanDerWaalsContact O-CG 3.31Å; K651-N655 PolarHBondContact O-N 3.14Å; K651-N655 VanDerWaalsContact O-N 3.09Å; K651-N655 PolarHBondContact O-ND2 3.02Å; I652-N655 PolarHBondContact O-N 3.26Å; P653-N655 VanDerWaalsContact C-N 3.28Å; P653-N655 PolarHBondContact O-N 2.78Å
656S88.7Confident92.9Very high36 Ų3649.5 Ų49.525%0.25225%0.247SC..SBendtrans-77.6175176.281.40000111.4I652 P653 D658 K662I652-S656 PolarHBondContact O-N 3.49Å; P653-S656 VanDerWaalsContact O-CB 3.3Å; P653-S656 WeakPolarHBondContact O-CB 3.43Å; P653-S656 PolarHBondContact O-N 3.12Å; P653-S656 PolarHBondContact O-OG 2.86Å; S656-D658 VanDerWaalsContact C-N 3.32Å; S656-D658 WeakPolarHBondContact OG-CB 3.38Å; S656-D658 PolarHBondContact OG-N 2.95Å; S656-D658 VanDerWaalsContact OG-N 3.12Å; S656-K662 WeakPolarHBondContact O-CE 3.3Å; S656-K662 PolarHBondContact O-NZ 2.96Å
657N90.6Very high92.8Very high165 Ų16549.5 Ų49.588%0.88225%0.247SC*.SBendtrans-937.4170-67.2-33.9000112.5E659N657-E659 PolarHBondContact O-N 2.94Å
658D91.9Very high92.9Very high77 Ų7749 Ų4941%0.41224%0.244SC..  trans-90.296.8-178.7-170.2-23.6000110.1S656 E660 Q661 K662S656-D658 VanDerWaalsContact C-N 3.32Å; S656-D658 WeakPolarHBondContact OG-CB 3.38Å; S656-D658 PolarHBondContact OG-N 2.95Å; S656-D658 VanDerWaalsContact OG-N 3.12Å; D658-E660 VanDerWaalsContact C-N 3.29Å; D658-E660 PolarHBondContact O-N 2.85Å; D658-E660 WeakPolarHBondContact OD1-CB 3.31Å; D658-E660 PolarHBondContact OD1-N 3.45Å; D658-E660 VanDerWaalsContact OD1-N 3.09Å; D658-Q661 HydrophobicContact CB-CB 3.99Å; D658-Q661 PolarHBondContact O-N 3.42Å; D658-Q661 PolarHBondContact OD1-N 3.09Å; D658-K662 WeakPolarHBondContact O-CG 3.43Å; D658-K662 PolarHBondContact O-N 2.67Å
659E91.4Very high93.1Very high107 Ų10746 Ų4650%0.523%0.23SC..Hα-helixtrans-67.7-27.5-179.7-68.5-57.2134.300113.1N657 K662 Q663N657-E659 PolarHBondContact O-N 2.94Å; E659-K662 PolarHBondContact O-N 3.45Å; E659-K662 WeakPolarHBondContact OE1-CD 3.09Å; E659-K662 IonicContact OE1-NZ 2.71Å; E659-K662 PolarHBondContact OE1-NZ 2.86Å; E659-Q663 PolarHBondContact O-N 3.03Å
660E92Very high93.2Very high140 Ų14046.1 Ų46.165%0.65423%0.231SC*.Hα-helixtrans-68.8-46.5176.2-172179.1177.100109.8D658 K662 Q663 V664D658-E660 VanDerWaalsContact C-N 3.29Å; D658-E660 PolarHBondContact O-N 2.85Å; D658-E660 WeakPolarHBondContact OD1-CB 3.31Å; D658-E660 PolarHBondContact OD1-N 3.45Å; D658-E660 VanDerWaalsContact OD1-N 3.09Å; E660-K662 VanDerWaalsContact C-N 3.31Å; E660-K662 PolarHBondContact O-N 2.87Å; E660-Q663 WeakPolarHBondContact O-CB 3.16Å; E660-Q663 PolarHBondContact O-N 2.86Å; E660-V664 WeakPolarHBondContact O-CG2 3.41Å; E660-V664 PolarHBondContact O-N 2.82Å
661Q92Very high93.4Very high28 Ų2847.1 Ų47.113%0.13124%0.235CC..Hα-helixtrans-64.7-36.4176.4-162.865.946.300112.1N599 P653 D658 V664 T665N599-Q661 PolarHBondContact O-NE2 2.99Å; N599-Q661 PolarHBondContact O-OE1 2.78Å; P653-Q661 HydrophobicContact CB-CB 4.33Å; P653-Q661 HydrophobicContact CB-CG 3.53Å; D658-Q661 HydrophobicContact CB-CB 3.99Å; D658-Q661 PolarHBondContact O-N 3.42Å; D658-Q661 PolarHBondContact OD1-N 3.09Å; Q661-V664 PolarHBondContact O-N 3.44Å; Q661-T665 PolarHBondContact O-N 3.48Å; Q661-T665 PolarHBondContact O-OG1 2.82Å
662K93.6Very high93.7Very high29 Ų2944.8 Ų44.813%0.12623%0.225CC..Hα-helixtrans-60.3-45.6172.4-73.5-179.6-167.3169.90111.9P653 M654 S656 D658 E659 E660 V664 T665 R666P653-K662 WeakPolarHBondContact O-CG 3.42Å; M654-K662 VanDerWaalsContact O-CE 3.26Å; M654-K662 WeakPolarHBondContact O-CE 3.5Å; M654-K662 HydrophobicContact SD-CB 4.25Å; M654-K662 HydrophobicContact SD-CG 4.25Å; S656-K662 WeakPolarHBondContact O-CE 3.3Å; S656-K662 PolarHBondContact O-NZ 2.96Å; D658-K662 WeakPolarHBondContact O-CG 3.43Å; D658-K662 PolarHBondContact O-N 2.67Å; E659-K662 PolarHBondContact O-N 3.45Å; E659-K662 WeakPolarHBondContact OE1-CD 3.09Å; E659-K662 IonicContact OE1-NZ 2.71Å; E659-K662 PolarHBondContact OE1-NZ 2.86Å; E660-K662 VanDerWaalsContact C-N 3.31Å; E660-K662 PolarHBondContact O-N 2.87Å; K662-V664 VanDerWaalsContact C-N 3.32Å; K662-V664 PolarHBondContact O-N 3.08Å; K662-T665 PolarHBondContact O-N 2.84Å; K662-R666 WeakPolarHBondContact O-CG 3.3Å; K662-R666 PolarHBondContact O-N 3.23Å
663Q94Very high94Very high64 Ų6442.6 Ų42.630%0.29921%0.213SC..Hα-helixtrans-58.5-46.7178.3-176.265.11200110.9D593 E659 E660 T665 R666 S667D593-Q663 PolarHBondContact O-NE2 3.33Å; D593-Q663 VanDerWaalsContact O-NE2 3.16Å; E659-Q663 PolarHBondContact O-N 3.03Å; E660-Q663 WeakPolarHBondContact O-CB 3.16Å; E660-Q663 PolarHBondContact O-N 2.86Å; Q663-T665 PolarHBondContact O-N 2.78Å; Q663-R666 WeakPolarHBondContact O-CB 3.49Å; Q663-R666 PolarHBondContact O-N 3.05Å; Q663-S667 PolarHBondContact O-N 3.39Å; Q663-S667 PolarHBondContact O-OG 2.81Å; Q663-S667 VanDerWaalsContact O-OG 3.1Å
664V95.7Very high94.4Very high8 Ų842.9 Ų42.95%0.04821%0.214CC..Hα-helixtrans-59.3-47.1176.31750000111.2L600 E660 Q661 K662 R666 S667 V668L600-V664 HydrophobicContact CD2-CG1 3.74Å; E660-V664 WeakPolarHBondContact O-CG2 3.41Å; E660-V664 PolarHBondContact O-N 2.82Å; Q661-V664 PolarHBondContact O-N 3.44Å; K662-V664 VanDerWaalsContact C-N 3.32Å; K662-V664 PolarHBondContact O-N 3.08Å; V664-R666 VanDerWaalsContact C-N 3.33Å; V664-R666 PolarHBondContact O-N 2.73Å; V664-S667 WeakPolarHBondContact O-CB 3.41Å; V664-S667 PolarHBondContact O-N 2.89Å; V664-V668 WeakPolarHBondContact O-CG2 3.44Å; V664-V668 PolarHBondContact O-N 3.29Å
665T95.4Very high94.8Very high0 Ų042.4 Ų42.40%021%0.212CC..Hα-helixtrans-64.1-35.8178.5-61.90000112.5P653 M654 Q661 K662 Q663 V668 L669P653-T665 HydrophobicContact CG-CG2 4.18Å; P653-T665 VanDerWaalsContact CG-OG1 3.26Å; P653-T665 WeakPolarHBondContact CG-OG1 3.44Å; M654-T665 HydrophobicContact CG-CG2 3.9Å; M654-T665 HydrophobicContact SD-CG2 4.14Å; Q661-T665 PolarHBondContact O-N 3.48Å; Q661-T665 PolarHBondContact O-OG1 2.82Å; K662-T665 PolarHBondContact O-N 2.84Å; Q663-T665 PolarHBondContact O-N 2.78Å; T665-V668 PolarHBondContact O-N 2.73Å; T665-L669 HydrophobicContact CG2-CD1 4.1Å; T665-L669 HydrophobicContact CG2-CG 4.46Å; T665-L669 WeakPolarHBondContact O-CB 3.33Å; T665-L669 WeakPolarHBondContact O-CG 3.37Å; T665-L669 PolarHBondContact O-N 2.96Å
666R96.2Very high95.2Very high57 Ų5736.5 Ų36.522%0.21518%0.18CC..Hα-helixtrans-62.7-45.1172.1-70.8178.4-178.2135.62.9111.5N584 I585 F589 M654 K662 Q663 V664 V668 L669 S670N584-R666 PolarHBondContact O-NE 3.1Å; I585-R666 WeakPolarHBondContact O-CD 3.21Å; F589-R666 HydrophobicContact CD2-CB 4.07Å; F589-R666 HydrophobicContact CE2-CB 3.5Å; F589-R666 VanDerWaalsContact CE2-CB 3.5Å; F589-R666 HydrophobicContact CE2-CG 4.35Å; F589-R666 HydrophobicContact CZ-CB 3.9Å; M654-R666 HydrophobicContact SD-CG 4.25Å; K662-R666 WeakPolarHBondContact O-CG 3.3Å; K662-R666 PolarHBondContact O-N 3.23Å; Q663-R666 WeakPolarHBondContact O-CB 3.49Å; Q663-R666 PolarHBondContact O-N 3.05Å; V664-R666 VanDerWaalsContact C-N 3.33Å; V664-R666 PolarHBondContact O-N 2.73Å; R666-V668 VanDerWaalsContact C-N 3.32Å; R666-V668 PolarHBondContact O-N 2.97Å; R666-L669 PolarHBondContact O-N 3.48Å; R666-S670 WeakPolarHBondContact O-CB 3.37Å; R666-S670 PolarHBondContact O-N 3.02Å; R666-S670 PolarHBondContact O-OG 2.82Å; R666-S670 VanDerWaalsContact O-OG 3.09Å
667S97.1Very high95.6Very high0 Ų034.8 Ų34.80%017%0.168CC..Hα-helixtrans-56.8-46.3176-580000111.6D595 Q663 V664 S670 Y671D595-S667 PolarHBondContact N-OG 3.49Å; D595-S667 WeakPolarHBondContact O-CB 3.43Å; D595-S667 PolarHBondContact O-OG 3.29Å; D595-S667 VanDerWaalsContact O-OG 3.14Å; Q663-S667 PolarHBondContact O-N 3.39Å; Q663-S667 PolarHBondContact O-OG 2.81Å; Q663-S667 VanDerWaalsContact O-OG 3.1Å; V664-S667 WeakPolarHBondContact O-CB 3.41Å; V664-S667 PolarHBondContact O-N 2.89Å; S667-S670 PolarHBondContact O-N 3.05Å; S667-Y671 VanDerWaalsContact O-CB 3.26Å; S667-Y671 WeakPolarHBondContact O-CB 3.44Å; S667-Y671 PolarHBondContact O-N 3.35Å
668V97.6Very high96Very high0 Ų028.9 Ų28.90%013%0.134CC..Hα-helixtrans-69-43.1-179.2-178.90000111.1L596 L600 D604 I607 L608 Y646 V664 T665 R666 S670 Y671 T672L596-V668 HydrophobicContact CD2-CB 4.48Å; L596-V668 HydrophobicContact CD2-CG2 3.76Å; L600-V668 HydrophobicContact CD2-CG2 3.61Å; D604-V668 HydrophobicContact CB-CG1 4.28Å; D604-V668 HydrophobicContact CB-CG2 3.98Å; I607-V668 HydrophobicContact CG2-CG1 3.8Å; L608-V668 HydrophobicContact CD1-CG1 4.41Å; L608-V668 HydrophobicContact CD1-CG2 4.32Å; L608-V668 HydrophobicContact CD2-CG1 4.16Å; L608-V668 HydrophobicContact CG-CG1 4.07Å; Y646-V668 HydrophobicContact CE1-CG1 4.19Å; Y646-V668 HydrophobicContact CE2-CG1 4.43Å; Y646-V668 VanDerWaalsContact OH-CB 3.28Å; Y646-V668 WeakPolarHBondContact OH-CB 3.19Å; Y646-V668 WeakPolarHBondContact OH-CG1 3.33Å; V664-V668 WeakPolarHBondContact O-CG2 3.44Å; V664-V668 PolarHBondContact O-N 3.29Å; T665-V668 PolarHBondContact O-N 2.73Å; R666-V668 VanDerWaalsContact C-N 3.32Å; R666-V668 PolarHBondContact O-N 2.97Å; V668-S670 PolarHBondContact O-N 3.27Å; V668-Y671 PolarHBondContact O-N 3.48Å; V668-T672 VanDerWaalsContact O-CB 3.3Å; V668-T672 WeakPolarHBondContact O-CB 3.23Å; V668-T672 PolarHBondContact O-N 3.27Å; V668-T672 PolarHBondContact O-OG1 2.94Å; V668-T672 VanDerWaalsContact O-OG1 3.05Å
669L97.1Very high96.4Very high0 Ų025.2 Ų25.20%011%0.114CC..Hα-helixtrans-58.1-47.5174.3-79.2167.8000112I585 F642 Y646 T665 R666 L673I585-L669 HydrophobicContact CD1-CB 4.23Å; I585-L669 HydrophobicContact CG1-CB 4.27Å; F642-L669 HydrophobicContact CE2-CD2 4.27Å; F642-L669 HydrophobicContact CZ-CD2 4.41Å; Y646-L669 HydrophobicContact CD1-CD2 4.15Å; Y646-L669 HydrophobicContact CE1-CD2 3.64Å; Y646-L669 HydrophobicContact CE1-CG 4.05Å; T665-L669 HydrophobicContact CG2-CD1 4.1Å; T665-L669 HydrophobicContact CG2-CG 4.46Å; T665-L669 WeakPolarHBondContact O-CB 3.33Å; T665-L669 WeakPolarHBondContact O-CG 3.37Å; T665-L669 PolarHBondContact O-N 2.96Å; R666-L669 PolarHBondContact O-N 3.48Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 PolarHBondContact O-N 2.8Å
670S97.1Very high96.7Very high2 Ų220.1 Ų20.11%0.0149%0.09CC..Hα-helixtrans-60.8-50.6177.6-66.20000111.2I585 R666 S667 V668 L673 D674I585-S670 VanDerWaalsContact CD1-OG 3.23Å; I585-S670 WeakPolarHBondContact CD1-OG 3.22Å; I585-S670 WeakPolarHBondContact CG1-OG 3.41Å; R666-S670 WeakPolarHBondContact O-CB 3.37Å; R666-S670 PolarHBondContact O-N 3.02Å; R666-S670 PolarHBondContact O-OG 2.82Å; R666-S670 VanDerWaalsContact O-OG 3.09Å; S667-S670 PolarHBondContact O-N 3.05Å; V668-S670 PolarHBondContact O-N 3.27Å; S670-L673 PolarHBondContact O-N 2.82Å; S670-D674 WeakPolarHBondContact O-CB 2.91Å; S670-D674 PolarHBondContact O-N 3.18Å
671Y97.5Very high97Very high24 Ų2413.5 Ų13.59%0.0946%0.059CC..Hα-helixtrans-63.5-47.3-178.4-178.4-102000112.3L596 L608 L611 S667 V668 N675 R711 L714L596-Y671 HydrophobicContact CD1-CD1 3.81Å; L596-Y671 HydrophobicContact CD1-CD2 4.02Å; L596-Y671 HydrophobicContact CD1-CE1 4.1Å; L596-Y671 HydrophobicContact CD1-CE2 4.32Å; L596-Y671 HydrophobicContact CD1-CG 3.77Å; L608-Y671 HydrophobicContact CD2-CD1 3.67Å; L608-Y671 HydrophobicContact CD2-CE1 3.98Å; L611-Y671 HydrophobicContact CD2-CD1 4.14Å; L611-Y671 HydrophobicContact CD2-CE1 3.92Å; S667-Y671 VanDerWaalsContact O-CB 3.26Å; S667-Y671 WeakPolarHBondContact O-CB 3.44Å; S667-Y671 PolarHBondContact O-N 3.35Å; V668-Y671 PolarHBondContact O-N 3.48Å; Y671-N675 PolarHBondContact O-N 2.66Å; Y671-N675 PolarHBondContact O-ND2 2.76Å; Y671-R711 WeakPolarHBondContact OH-CD 3.24Å; Y671-L714 HydrophobicContact CE1-CD1 4.01Å
672T98.1Very high97.3Very high0 Ų012.1 Ų12.10%05%0.053CC..Hα-helixtrans-64-43.9179.3-61.70000111.3I607 L611 F637 F642 V668 N675 I676I607-T672 HydrophobicContact CG1-CG2 4.07Å; L611-T672 HydrophobicContact CD2-CG2 4.4Å; F637-T672 HydrophobicContact CZ-CG2 4.16Å; F642-T672 HydrophobicContact CD2-CG2 3.69Å; F642-T672 HydrophobicContact CE2-CG2 3.81Å; V668-T672 VanDerWaalsContact O-CB 3.3Å; V668-T672 WeakPolarHBondContact O-CB 3.23Å; V668-T672 PolarHBondContact O-N 3.27Å; V668-T672 PolarHBondContact O-OG1 2.94Å; V668-T672 VanDerWaalsContact O-OG1 3.05Å; T672-N675 PolarHBondContact O-N 3.23Å; T672-I676 HydrophobicContact CG2-CD1 3.92Å; T672-I676 HydrophobicContact CG2-CG1 4.46Å; T672-I676 VanDerWaalsContact O-CG1 3.29Å; T672-I676 WeakPolarHBondContact O-CG1 3.35Å; T672-I676 PolarHBondContact O-N 3.29Å
673L97.7Very high97.6Very high2 Ų210.8 Ų10.81%0.015%0.047CC..Hα-helixtrans-69.7-37.2-178.4-170.658.7000112.6A578 F642 L669 S670 I676 M677 L695A578-L673 HydrophobicContact CB-CD1 4.37Å; A578-L673 HydrophobicContact CB-CD2 3.95Å; F642-L673 HydrophobicContact CE1-CD1 4.07Å; F642-L673 HydrophobicContact CZ-CB 4.41Å; F642-L673 HydrophobicContact CZ-CD1 4.22Å; L669-L673 WeakPolarHBondContact O-CB 3.37Å; L669-L673 PolarHBondContact O-N 2.8Å; S670-L673 PolarHBondContact O-N 2.82Å; L673-I676 PolarHBondContact O-N 2.86Å; L673-M677 HydrophobicContact CD1-CE 3.81Å; L673-M677 WeakPolarHBondContact O-CG 3.49Å; L673-M677 PolarHBondContact O-N 3.38Å; L673-L695 HydrophobicContact CB-CD1 4.25Å; L673-L695 HydrophobicContact CB-CD2 4.39Å; L673-L695 HydrophobicContact CD2-CD1 4.22Å; L673-L695 HydrophobicContact CD2-CD2 3.57Å; L673-L695 HydrophobicContact CD2-CG 4.43Å; L673-L695 HydrophobicContact CG-CD1 3.89Å; L673-L695 HydrophobicContact CG-CD2 4.12Å
674D97.9Very high97.8Very high20 Ų207.8 Ų7.811%0.1073%0.033CC..Hα-helixtrans-56.5-49.7171.3166.182.8000111.1S670 I676 M677 R678 W692S670-D674 WeakPolarHBondContact O-CB 2.91Å; S670-D674 PolarHBondContact O-N 3.18Å; D674-I676 PolarHBondContact O-N 2.99Å; D674-M677 PolarHBondContact O-N 3.09Å; D674-R678 WeakPolarHBondContact O-CG 3.17Å; D674-R678 PolarHBondContact O-N 3.08Å; D674-R678 IonicContact OD1-CZ 3.44Å; D674-R678 IonicContact OD1-NE 3.64Å; D674-R678 PolarHBondContact OD1-NE 3.06Å; D674-R678 IonicContact OD1-NH2 3.45Å; D674-R678 PolarHBondContact OD1-NH2 2.81Å; D674-R678 IonicContact OD2-CZ 2.71Å; D674-R678 IonicContact OD2-NE 3.69Å; D674-R678 PolarHBondContact OD2-NE 3.26Å; D674-R678 IonicContact OD2-NH2 2.9Å; D674-W692 PolarHBondContact OD1-NE1 2.77Å
675N98.5Very high97.9Very high7 Ų77.4 Ų7.44%0.0373%0.031CC..Hα-helixtrans-66.7-35.5179.5-74.7-86000112.6L611 Y671 T672 R678 M679 P708L611-N675 HydrophobicContact CD1-CB 3.88Å; L611-N675 HydrophobicContact CD2-CB 4Å; L611-N675 HydrophobicContact CG-CB 4.41Å; Y671-N675 PolarHBondContact O-N 2.66Å; Y671-N675 PolarHBondContact O-ND2 2.76Å; T672-N675 PolarHBondContact O-N 3.23Å; N675-R678 PolarHBondContact O-N 2.79Å; N675-M679 WeakPolarHBondContact O-CG 3.27Å; N675-M679 PolarHBondContact O-N 2.93Å; N675-P708 HydrophobicContact CB-CG 4.29Å; N675-P708 VanDerWaalsContact OD1-CB 3.24Å; N675-P708 WeakPolarHBondContact OD1-CB 3.34Å; N675-P708 WeakPolarHBondContact OD1-CG 3.28Å
676I98.6Very high98.1Very high1 Ų17.5 Ų7.51%0.0053%0.031CC..Hα-helixtrans-59.9-48.2171.4-70.3167.7000110.4F637 I638 F642 T672 L673 D674 R678 M679 L680F637-I676 HydrophobicContact CD1-CG1 4.24Å; F637-I676 HydrophobicContact CE1-CD1 3.86Å; F637-I676 HydrophobicContact CE1-CG1 3.64Å; I638-I676 HydrophobicContact CD1-CG2 3.59Å; I638-I676 HydrophobicContact CG1-CD1 4.42Å; I638-I676 HydrophobicContact CG1-CG1 4.34Å; I638-I676 HydrophobicContact CG1-CG2 3.75Å; F642-I676 HydrophobicContact CB-CD1 4.14Å; F642-I676 HydrophobicContact CD1-CD1 3.76Å; F642-I676 HydrophobicContact CD2-CD1 4.02Å; F642-I676 HydrophobicContact CE1-CD1 4.13Å; F642-I676 HydrophobicContact CE2-CD1 4.36Å; F642-I676 HydrophobicContact CG-CD1 3.7Å; F642-I676 HydrophobicContact CZ-CD1 4.41Å; T672-I676 HydrophobicContact CG2-CD1 3.92Å; T672-I676 HydrophobicContact CG2-CG1 4.46Å; T672-I676 VanDerWaalsContact O-CG1 3.29Å; T672-I676 WeakPolarHBondContact O-CG1 3.35Å; T672-I676 PolarHBondContact O-N 3.29Å; L673-I676 PolarHBondContact O-N 2.86Å; D674-I676 PolarHBondContact O-N 2.99Å; I676-R678 VanDerWaalsContact C-N 3.29Å; I676-R678 PolarHBondContact O-N 3.22Å; I676-M679 PolarHBondContact O-N 3.09Å; I676-L680 HydrophobicContact CG2-CD1 3.96Å; I676-L680 WeakPolarHBondContact O-CB 3.21Å; I676-L680 PolarHBondContact O-N 3.31Å
677M98.6Very high98.2Very high0 Ų04.8 Ų4.80%02%0.021CC..Hα-helixtrans-60.9-41.6-180-69.8-51.9101.100111I574 L673 D674 L680 H681 T688 I691 W692 L695 I702I574-M677 HydrophobicContact CG2-CE 3.74Å; L673-M677 HydrophobicContact CD1-CE 3.81Å; L673-M677 WeakPolarHBondContact O-CG 3.49Å; L673-M677 PolarHBondContact O-N 3.38Å; D674-M677 PolarHBondContact O-N 3.09Å; M677-L680 HydrophobicContact CE-CD1 4.41Å; M677-L680 PolarHBondContact O-N 2.74Å; M677-H681 WeakPolarHBondContact O-CB 3.47Å; M677-H681 PolarHBondContact O-N 3.41Å; M677-T688 HydrophobicContact SD-CG2 4Å; M677-I691 HydrophobicContact CE-CD1 4.37Å; M677-I691 HydrophobicContact CE-CG2 4.25Å; M677-I691 HydrophobicContact CG-CB 4.23Å; M677-I691 HydrophobicContact CG-CG2 3.75Å; M677-I691 HydrophobicContact SD-CB 3.57Å; M677-I691 VanDerWaalsContact SD-CB 3.57Å; M677-I691 HydrophobicContact SD-CD1 3.88Å; M677-I691 HydrophobicContact SD-CG1 4.33Å; M677-I691 HydrophobicContact SD-CG2 3.47Å; M677-I691 WeakPolarHBondContact SD-CG2 3.46Å; M677-W692 HydrophobicContact CB-CB 4.15Å; M677-W692 HydrophobicContact CG-CB 4.28Å; M677-L695 HydrophobicContact CG-CD1 4.24Å; M677-I702 HydrophobicContact CB-CD1 3.76Å
678R98.7Very high98.3Very high40 Ų404.8 Ų4.815%0.1512%0.021CC..Hα-helixtrans-64.1-44.6178.6-68.5170.8-171.8-118.41.9112.6M70 D674 N675 I676 L680 H681 P682 I702 S706 P708M70-R678 HydrophobicContact CE-CB 3.72Å; M70-R678 HydrophobicContact CE-CG 3.92Å; D674-R678 WeakPolarHBondContact O-CG 3.17Å; D674-R678 PolarHBondContact O-N 3.08Å; D674-R678 IonicContact OD1-CZ 3.44Å; D674-R678 IonicContact OD1-NE 3.64Å; D674-R678 PolarHBondContact OD1-NE 3.06Å; D674-R678 IonicContact OD1-NH2 3.45Å; D674-R678 PolarHBondContact OD1-NH2 2.81Å; D674-R678 IonicContact OD2-CZ 2.71Å; D674-R678 IonicContact OD2-NE 3.69Å; D674-R678 PolarHBondContact OD2-NE 3.26Å; D674-R678 IonicContact OD2-NH2 2.9Å; N675-R678 PolarHBondContact O-N 2.79Å; I676-R678 VanDerWaalsContact C-N 3.29Å; I676-R678 PolarHBondContact O-N 3.22Å; R678-L680 VanDerWaalsContact C-N 3.34Å; R678-L680 PolarHBondContact O-N 3.01Å; R678-H681 PolarHBondContact O-N 2.79Å; R678-P682 WeakPolarHBondContact O-CD 3.5Å; R678-I702 HydrophobicContact CG-CD1 4.23Å; R678-I702 HydrophobicContact CG-CG1 4.31Å; R678-S706 WeakPolarHBondContact CD-O 3.3Å; R678-S706 PolarHBondContact NH1-O 2.86Å; R678-P708 HydrophobicContact CB-CG 3.66Å
679M98.7Very high98.3Very high0 Ų04.9 Ų4.90%02%0.021CC..Hα-helixtrans-67.5-33.1177.4-67.7-173.2-71.900113L611 T614 I615 V618 L634 N675 I676 W707 P708L611-M679 HydrophobicContact CD1-CE 3.79Å; T614-M679 HydrophobicContact CG2-CE 4.14Å; T614-M679 HydrophobicContact CG2-SD 4.25Å; I615-M679 HydrophobicContact CB-SD 4.36Å; I615-M679 HydrophobicContact CG1-CE 4.18Å; I615-M679 HydrophobicContact CG1-SD 3.69Å; V618-M679 HydrophobicContact CB-SD 4.31Å; V618-M679 HydrophobicContact CG1-SD 4.45Å; V618-M679 HydrophobicContact CG2-SD 4.35Å; L634-M679 HydrophobicContact CD2-CB 3.81Å; L634-M679 HydrophobicContact CD2-CE 4.37Å; L634-M679 HydrophobicContact CD2-SD 4.3Å; N675-M679 WeakPolarHBondContact O-CG 3.27Å; N675-M679 PolarHBondContact O-N 2.93Å; I676-M679 PolarHBondContact O-N 3.09Å; M679-W707 HydrophobicContact CB-CH2 4.43Å; M679-W707 HydrophobicContact CG-CH2 4.48Å; M679-W707 HydrophobicContact CG-CZ2 4.44Å; M679-P708 HydrophobicContact CG-CG 3.97Å
680L98.7Very high98.3Very high0 Ų07.1 Ų7.10%03%0.031CC..Hα-helixtrans-79.3-24177.3-82.7176000113.6Y545 I574 L634 I638 I676 M677 R678 P682 F683 M684 T688Y545-L680 HydrophobicContact CE2-CD2 4.17Å; I574-L680 HydrophobicContact CD1-CD1 3.61Å; I574-L680 HydrophobicContact CG1-CD1 4.28Å; I574-L680 HydrophobicContact CG2-CD1 4.46Å; L634-L680 HydrophobicContact CD1-CD2 4.07Å; I638-L680 HydrophobicContact CD1-CD1 3.56Å; I638-L680 HydrophobicContact CD1-CD2 4.12Å; I638-L680 HydrophobicContact CD1-CG 3.83Å; I676-L680 HydrophobicContact CG2-CD1 3.96Å; I676-L680 WeakPolarHBondContact O-CB 3.21Å; I676-L680 PolarHBondContact O-N 3.31Å; M677-L680 HydrophobicContact CE-CD1 4.41Å; M677-L680 PolarHBondContact O-N 2.74Å; R678-L680 VanDerWaalsContact C-N 3.34Å; R678-L680 PolarHBondContact O-N 3.01Å; L680-P682 VanDerWaalsContact C-CD 3.47Å; L680-F683 PolarHBondContact O-N 3.35Å; L680-M684 HydrophobicContact CD2-CE 4.45Å; L680-M684 HydrophobicContact CD2-SD 4.1Å; L680-M684 PolarHBondContact O-N 3.24Å; L680-T688 HydrophobicContact CB-CG2 3.55Å
681H98.8Very high98.3Very high1 Ų17 Ų71%0.0053%0.03CC..THydrogen-bonded Turntrans-55.3-40.9-170.4-174.961.6000114.9R66 M70 M677 R678 F683 P685 T688 I702R66-H681 PolarHBondContact NH1-NE2 2.82Å; M70-H681 HydrophobicContact SD-CB 4.32Å; M677-H681 WeakPolarHBondContact O-CB 3.47Å; M677-H681 PolarHBondContact O-N 3.41Å; R678-H681 PolarHBondContact O-N 2.79Å; H681-F683 PolarHBondContact O-N 3.23Å; H681-P685 PolarHBondContact CE1-O 3.38Å; H681-P685 WeakPolarHBondContact O-CA 3.34Å; H681-T688 WeakPolarHBondContact CA-OG1 3.45Å; H681-T688 PolarHBondContact ND1-OG1 2.71Å; H681-I702 HydrophobicContact CB-CD1 4.06Å; H681-I702 HydrophobicContact CB-CG2 4.34Å; H681-I702 WeakPolarHBondContact CE1-CG2 3.35Å; H681-I702 WeakPolarHBondContact ND1-CG2 3.22Å
682P98.6Very high98.3Very high0 Ų05.9 Ų5.90%03%0.026CC..THydrogen-bonded Turntrans-55.7-35.3174.4-28.237.2000113.5I63 R66 M67 R544 R678 L680 W707I63-P682 HydrophobicContact CB-CB 4.24Å; I63-P682 HydrophobicContact CG1-CB 4.33Å; I63-P682 WeakPolarHBondContact CG1-O 3.37Å; I63-P682 HydrophobicContact CG2-CB 3.92Å; R66-P682 HydrophobicContact CB-CB 4.12Å; R66-P682 HydrophobicContact CB-CG 4.27Å; M67-P682 HydrophobicContact CB-CG 4.1Å; R544-P682 PolarHBondContact NH2-O 3.45Å; R678-P682 WeakPolarHBondContact O-CD 3.5Å; L680-P682 VanDerWaalsContact C-CD 3.47Å; P682-W707 HydrophobicContact CG-CH2 4.37Å; P682-W707 HydrophobicContact CG-CZ3 3.77Å
683F98.6Very high98.2Very high1 Ų18.6 Ų8.60%0.0044%0.038CC..THydrogen-bonded Turntrans-88.7-41.8-176.1-59.8-99000112.7I63 R544 Y545 A548 T549 F627 V630 L634 L680 H681 P685I63-F683 HydrophobicContact CD1-CD1 3.55Å; I63-F683 HydrophobicContact CD1-CE1 3.78Å; I63-F683 HydrophobicContact CD1-CG 4.17Å; I63-F683 HydrophobicContact CG1-CD1 4.16Å; I63-F683 HydrophobicContact CG1-CE1 4.45Å; I63-F683 HydrophobicContact CG1-CG 4.31Å; I63-F683 HydrophobicContact CG2-CE1 4.27Å; I63-F683 HydrophobicContact CG2-CE2 4.22Å; I63-F683 HydrophobicContact CG2-CZ 4Å; R544-F683 WeakPolarHBondContact CB-O 3.46Å; R544-F683 PolarHBondContact NE-O 3.15Å; R544-F683 VanDerWaalsContact NE-O 3.16Å; Y545-F683 HydrophobicContact CD2-CB 3.74Å; Y545-F683 HydrophobicContact CD2-CD1 4.25Å; Y545-F683 HydrophobicContact CD2-CG 4.22Å; Y545-F683 HydrophobicContact CE2-CB 4.4Å; A548-F683 HydrophobicContact CB-CD1 4.03Å; A548-F683 HydrophobicContact CB-CE1 4.23Å; T549-F683 HydrophobicContact CG2-CD1 4.32Å; T549-F683 HydrophobicContact CG2-CE1 4.3Å; F627-F683 HydrophobicContact CB-CE1 4.21Å; F627-F683 HydrophobicContact CD1-CE1 4.12Å; F627-F683 AromaticContact CD1-CZ 3.86Å; F627-F683 HydrophobicContact CD1-CZ 3.86Å; F627-F683 HydrophobicContact CG-CE1 4.46Å; V630-F683 HydrophobicContact CB-CZ 4.18Å; V630-F683 HydrophobicContact CG1-CE1 4.44Å; V630-F683 HydrophobicContact CG1-CE2 3.83Å; V630-F683 HydrophobicContact CG1-CZ 3.5Å; V630-F683 VanDerWaalsContact CG1-CZ 3.5Å; L634-F683 HydrophobicContact CD1-CD2 4.39Å; L634-F683 HydrophobicContact CD1-CE2 4.26Å; L680-F683 PolarHBondContact O-N 3.35Å; H681-F683 PolarHBondContact O-N 3.23Å; F683-P685 WeakPolarHBondContact O-CD 3.38Å
684M98.5Very high98Very high0 Ų010.2 Ų10.20%05%0.05CC..  trans-126.366.9-172-58.8179.2176.200111D541 Y545 V567 F570 I571 I574 L680 F686 V687 T688D541-M684 HydrophobicContact CB-CB 3.9Å; D541-M684 HydrophobicContact CB-CG 4.11Å; D541-M684 WeakPolarHBondContact OD1-CA 3.41Å; Y545-M684 HydrophobicContact CD1-CE 3.98Å; Y545-M684 HydrophobicContact CD2-CE 3.26Å; Y545-M684 HydrophobicContact CD2-CG 4.08Å; Y545-M684 HydrophobicContact CD2-SD 4.34Å; Y545-M684 HydrophobicContact CE1-CE 4.38Å; Y545-M684 HydrophobicContact CE2-CE 3.75Å; Y545-M684 HydrophobicContact CG-CE 3.38Å; V567-M684 HydrophobicContact CG1-CE 4.36Å; F570-M684 HydrophobicContact CD1-CE 3.79Å; F570-M684 HydrophobicContact CE1-CE 3.91Å; I571-M684 HydrophobicContact CD1-CE 4.07Å; I571-M684 HydrophobicContact CD1-SD 4.18Å; I571-M684 HydrophobicContact CG1-CE 3.55Å; I571-M684 HydrophobicContact CG1-SD 3.62Å; I574-M684 HydrophobicContact CD1-CE 4.4Å; I574-M684 HydrophobicContact CD1-SD 4.12Å; L680-M684 HydrophobicContact CD2-CE 4.45Å; L680-M684 HydrophobicContact CD2-SD 4.1Å; L680-M684 PolarHBondContact O-N 3.24Å; M684-F686 VanDerWaalsContact C-N 3.29Å; M684-F686 PolarHBondContact O-N 2.93Å; M684-V687 HydrophobicContact CB-CG1 3.89Å; M684-V687 HydrophobicContact SD-CG1 4.37Å; M684-T688 HydrophobicContact CB-CG2 4.32Å; M684-T688 WeakPolarHBondContact O-CB 3.35Å; M684-T688 VanDerWaalsContact O-CG2 3.25Å; M684-T688 WeakPolarHBondContact O-CG2 3.04Å; M684-T688 PolarHBondContact O-N 2.99Å; M684-T688 PolarHBondContact O-OG1 3.35Å
685P98.6Very high97.9Very high0 Ų09.6 Ų9.60%05%0.047CC..Hα-helixtrans-64.8-26.3-167.626.7-37.8000114.8W20 D541 H681 F683 T688 E689W20-P685 HydrophobicContact CH2-CB 3.92Å; W20-P685 HydrophobicContact CZ3-CB 4.39Å; D541-P685 WeakPolarHBondContact OD1-CD 3.32Å; H681-P685 PolarHBondContact CE1-O 3.38Å; H681-P685 WeakPolarHBondContact O-CA 3.34Å; F683-P685 WeakPolarHBondContact O-CD 3.38Å; P685-T688 PolarHBondContact O-OG1 2.6Å; P685-E689 VanDerWaalsContact O-CB 3.28Å; P685-E689 WeakPolarHBondContact O-CB 3.46Å; P685-E689 PolarHBondContact O-N 3.05Å
686F98.7Very high97.6Very high3 Ų310 Ų101%0.0135%0.05CC..Hα-helixtrans-82.8-52.4-172.5-63.3-84.5000112.6E13 R16 W20 G134 A540 D541 M684 T688 E689 K690E13-F686 HydrophobicContact CB-CD1 4.01Å; E13-F686 HydrophobicContact CB-CE1 4.33Å; E13-F686 HydrophobicContact CB-CG 4.24Å; E13-F686 HydrophobicContact CG-CB 3.69Å; E13-F686 HydrophobicContact CG-CD1 3.94Å; E13-F686 HydrophobicContact CG-CD2 4.01Å; E13-F686 HydrophobicContact CG-CG 3.64Å; R16-F686 HydrophobicContact CB-CD1 3.98Å; R16-F686 HydrophobicContact CB-CE1 4.22Å; R16-F686 HydrophobicContact CG-CD1 4Å; R16-F686 HydrophobicContact CG-CE1 4.44Å; W20-F686 AromaticContact CH2-CD1 3.73Å; W20-F686 HydrophobicContact CH2-CD1 3.73Å; W20-F686 HydrophobicContact CH2-CE1 4.01Å; W20-F686 HydrophobicContact CH2-CG 4.19Å; W20-F686 AromaticContact CZ3-CD1 4Å; W20-F686 HydrophobicContact CZ3-CD1 4Å; W20-F686 AromaticContact CZ3-CE1 3.76Å; W20-F686 HydrophobicContact CZ3-CE1 3.76Å; W20-F686 HydrophobicContact CZ3-CZ 4.23Å; G134-F686 VanDerWaalsContact CA-CZ 3.43Å; A540-F686 HydrophobicContact CB-CD2 4.01Å; A540-F686 HydrophobicContact CB-CE2 3.64Å; D541-F686 WeakPolarHBondContact OD1-CD2 3.39Å; D541-F686 PolarHBondContact OD1-N 2.97Å; D541-F686 WeakPolarHBondContact OD2-CB 3.49Å; D541-F686 PolarHBondContact OD2-N 3.17Å; M684-F686 VanDerWaalsContact C-N 3.29Å; M684-F686 PolarHBondContact O-N 2.93Å; F686-T688 VanDerWaalsContact C-N 3.32Å; F686-T688 PolarHBondContact O-N 3.39Å; F686-E689 PolarHBondContact O-N 3.49Å; F686-K690 PolarHBondContact O-N 3.01Å; F686-K690 VanDerWaalsContact O-N 3.15Å
687V98.4Very high97.4Very high0 Ų012.6 Ų12.60%06%0.062CC..Hα-helixtrans-66.1-37.7-179.572.90000111.2Y7 D541 I571 W575 M684 K690 I691Y7-V687 HydrophobicContact CD2-CG2 4.09Å; Y7-V687 HydrophobicContact CE2-CB 4.05Å; Y7-V687 HydrophobicContact CE2-CG2 3.66Å; D541-V687 VanDerWaalsContact OD2-CB 3.29Å; D541-V687 WeakPolarHBondContact OD2-CB 2.98Å; D541-V687 VanDerWaalsContact OD2-CG1 3.24Å; D541-V687 WeakPolarHBondContact OD2-CG1 3.3Å; D541-V687 PolarHBondContact OD2-N 3.33Å; I571-V687 HydrophobicContact CG2-CB 4.16Å; I571-V687 HydrophobicContact CG2-CG1 4.02Å; I571-V687 HydrophobicContact CG2-CG2 3.89Å; W575-V687 HydrophobicContact CE3-CG2 3.86Å; W575-V687 HydrophobicContact CZ3-CG2 4.34Å; M684-V687 HydrophobicContact CB-CG1 3.89Å; M684-V687 HydrophobicContact SD-CG1 4.37Å; V687-K690 PolarHBondContact O-N 3.49Å; V687-I691 HydrophobicContact CG2-CD1 3.91Å; V687-I691 WeakPolarHBondContact O-CG1 3.22Å; V687-I691 PolarHBondContact O-N 3.46Å
688T98.6Very high97.2Very high0 Ų019.3 Ų19.30%09%0.093CC..Hα-helixtrans-67.6-43178.653.70000112M677 L680 H681 M684 P685 F686 K690 I691 W692M677-T688 HydrophobicContact SD-CG2 4Å; L680-T688 HydrophobicContact CB-CG2 3.55Å; H681-T688 WeakPolarHBondContact CA-OG1 3.45Å; H681-T688 PolarHBondContact ND1-OG1 2.71Å; M684-T688 HydrophobicContact CB-CG2 4.32Å; M684-T688 WeakPolarHBondContact O-CB 3.35Å; M684-T688 VanDerWaalsContact O-CG2 3.25Å; M684-T688 WeakPolarHBondContact O-CG2 3.04Å; M684-T688 PolarHBondContact O-N 2.99Å; M684-T688 PolarHBondContact O-OG1 3.35Å; P685-T688 PolarHBondContact O-OG1 2.6Å; F686-T688 VanDerWaalsContact C-N 3.32Å; F686-T688 PolarHBondContact O-N 3.39Å; T688-K690 VanDerWaalsContact C-N 3.3Å; T688-K690 PolarHBondContact O-N 3.16Å; T688-I691 PolarHBondContact O-N 3.04Å; T688-W692 WeakPolarHBondContact O-CB 3.25Å; T688-W692 PolarHBondContact O-N 3.33Å
689E98.2Very high96.9Very high1 Ų119.8 Ų19.81%0.00511%0.111CC..Hα-helixtrans-57.1-46.1173.417679.8145.600110.9W20 P685 F686 I691 W692 Q693 T701 I702W20-E689 HydrophobicContact CZ2-CB 3.82Å; W20-E689 HydrophobicContact CZ2-CG 3.83Å; W20-E689 PolarHBondContact NE1-OE1 2.71Å; P685-E689 VanDerWaalsContact O-CB 3.28Å; P685-E689 WeakPolarHBondContact O-CB 3.46Å; P685-E689 PolarHBondContact O-N 3.05Å; F686-E689 PolarHBondContact O-N 3.49Å; E689-I691 PolarHBondContact O-N 2.77Å; E689-W692 PolarHBondContact O-N 3.08Å; E689-Q693 WeakPolarHBondContact O-CB 3.41Å; E689-Q693 VanDerWaalsContact O-CG 3.31Å; E689-Q693 WeakPolarHBondContact O-CG 3.29Å; E689-Q693 PolarHBondContact O-N 2.78Å; E689-T701 VanDerWaalsContact CD-OG1 3.27Å; E689-T701 WeakPolarHBondContact OE1-CB 3.43Å; E689-T701 PolarHBondContact OE1-OG1 2.9Å; E689-T701 PolarHBondContact OE2-OG1 3.36Å; E689-I702 HydrophobicContact CB-CG2 4.21Å; E689-I702 WeakPolarHBondContact OE2-CB 3.34Å; E689-I702 WeakPolarHBondContact OE2-CG2 3.29Å; E689-I702 PolarHBondContact OE2-N 3.17Å
690K97.2Very high96.7Very high47 Ų4725.6 Ų25.620%0.20414%0.142CC..Hα-helixtrans-63.9-44.7-178.3-178.159.6175.5-173.50112.8M1 V12 W575 F686 V687 T688 S694M1-K690 PolarHBondContact SD-NZ 3.08Å; V12-K690 HydrophobicContact CG1-CB 3.77Å; V12-K690 HydrophobicContact CG1-CG 4.14Å; V12-K690 HydrophobicContact CG2-CG 4.45Å; W575-K690 HydrophobicContact CH2-CG 4.09Å; W575-K690 HydrophobicContact CZ3-CG 3.95Å; F686-K690 PolarHBondContact O-N 3.01Å; F686-K690 VanDerWaalsContact O-N 3.15Å; V687-K690 PolarHBondContact O-N 3.49Å; T688-K690 VanDerWaalsContact C-N 3.3Å; T688-K690 PolarHBondContact O-N 3.16Å; K690-S694 PolarHBondContact O-OG 3.21Å
691I97.2Very high96.6Very high0 Ų025.7 Ų25.70%014%0.143CC..Hα-helixtrans-68-47179.1-69.4169.1000109.7M3 I574 W575 A578 M677 V687 T688 E689 Q693 S694 L695M3-I691 HydrophobicContact CE-CG1 4.02Å; I574-I691 HydrophobicContact CG2-CD1 3.9Å; W575-I691 HydrophobicContact CE3-CD1 4.28Å; W575-I691 HydrophobicContact CE3-CG1 4.2Å; W575-I691 HydrophobicContact CZ3-CG1 4.41Å; A578-I691 HydrophobicContact CB-CB 4.42Å; A578-I691 HydrophobicContact CB-CD1 3.83Å; A578-I691 HydrophobicContact CB-CG1 4.02Å; A578-I691 HydrophobicContact CB-CG2 3.53Å; M677-I691 HydrophobicContact CE-CD1 4.37Å; M677-I691 HydrophobicContact CE-CG2 4.25Å; M677-I691 HydrophobicContact CG-CB 4.23Å; M677-I691 HydrophobicContact CG-CG2 3.75Å; M677-I691 HydrophobicContact SD-CB 3.57Å; M677-I691 VanDerWaalsContact SD-CB 3.57Å; M677-I691 HydrophobicContact SD-CD1 3.88Å; M677-I691 HydrophobicContact SD-CG1 4.33Å; M677-I691 HydrophobicContact SD-CG2 3.47Å; M677-I691 WeakPolarHBondContact SD-CG2 3.46Å; V687-I691 HydrophobicContact CG2-CD1 3.91Å; V687-I691 WeakPolarHBondContact O-CG1 3.22Å; V687-I691 PolarHBondContact O-N 3.46Å; T688-I691 PolarHBondContact O-N 3.04Å; E689-I691 PolarHBondContact O-N 2.77Å; I691-Q693 PolarHBondContact O-N 3.44Å; I691-S694 WeakPolarHBondContact O-CA 3.13Å; I691-S694 WeakPolarHBondContact O-CB 3.25Å; I691-S694 PolarHBondContact O-N 3.06Å; I691-L695 HydrophobicContact CG2-CD1 4.39Å; I691-L695 PolarHBondContact O-N 3.3Å
692W97.4Very high96.6Very high0 Ų025.7 Ų25.70%014%0.142CC..Hα-helixtrans-63.1-42.9-177-174.487.5000112.7D674 M677 T688 E689 S694 L695 H697 E698 T701 I702 A705D674-W692 PolarHBondContact OD1-NE1 2.77Å; M677-W692 HydrophobicContact CB-CB 4.15Å; M677-W692 HydrophobicContact CG-CB 4.28Å; T688-W692 WeakPolarHBondContact O-CB 3.25Å; T688-W692 PolarHBondContact O-N 3.33Å; E689-W692 PolarHBondContact O-N 3.08Å; W692-S694 PolarHBondContact O-N 2.77Å; W692-L695 WeakPolarHBondContact O-CB 3.28Å; W692-L695 PolarHBondContact O-N 3.33Å; W692-H697 HydrophobicContact CD2-CB 4.18Å; W692-H697 HydrophobicContact CE3-CB 4.42Å; W692-H697 AromaticContact CE3-CD2 3.76Å; W692-H697 AromaticContact CE3-CG 3.98Å; W692-H697 HydrophobicContact CH2-CB 3.87Å; W692-H697 AromaticContact CH2-CD2 3.26Å; W692-H697 WeakPolarHBondContact CH2-CD2 3.42Å; W692-H697 AromaticContact CH2-CG 3.78Å; W692-H697 HydrophobicContact CZ2-CB 3.56Å; W692-H697 AromaticContact CZ2-CD2 3.92Å; W692-H697 AromaticContact CZ2-CG 3.98Å; W692-H697 HydrophobicContact CZ3-CB 4.27Å; W692-H697 AromaticContact CZ3-CD2 3.14Å; W692-H697 WeakPolarHBondContact CZ3-CD2 3.44Å; W692-H697 AromaticContact CZ3-CG 3.76Å; W692-H697 AromaticContact CZ3-NE2 3.73Å; W692-H697 PolarHBondContact O-ND1 2.89Å; W692-H697 VanDerWaalsContact O-ND1 3.17Å; W692-E698 VanDerWaalsContact CH2-O 3.28Å; W692-E698 WeakPolarHBondContact CH2-O 3.37Å; W692-T701 VanDerWaalsContact CZ3-C 3.42Å; W692-I702 HydrophobicContact CB-CB 4.17Å; W692-I702 HydrophobicContact CB-CD1 3.71Å; W692-I702 HydrophobicContact CB-CG1 4.21Å; W692-I702 HydrophobicContact CD2-CB 3.68Å; W692-I702 HydrophobicContact CD2-CD1 4.24Å; W692-I702 HydrophobicContact CD2-CG1 3.8Å; W692-I702 HydrophobicContact CE3-CB 3.78Å; W692-I702 HydrophobicContact CE3-CG1 4.4Å; W692-I702 HydrophobicContact CG-CB 3.87Å; W692-I702 HydrophobicContact CG-CD1 3.58Å; W692-I702 HydrophobicContact CG-CG1 3.69Å; W692-I702 HydrophobicContact CZ3-CB 4.39Å; W692-A705 HydrophobicContact CH2-CB 4.5Å; W692-A705 HydrophobicContact CZ2-CB 3.96Å
693Q95.5Very high96.5Very high57 Ų5725.8 Ų25.827%0.26614%0.143SC..THydrogen-bonded Turntrans-61.9-15.6172.9-75.7-175.6-2900113.8R16 E689 I691 H697 D700R16-Q693 VanDerWaalsContact NH1-OE1 3.09Å; E689-Q693 WeakPolarHBondContact O-CB 3.41Å; E689-Q693 VanDerWaalsContact O-CG 3.31Å; E689-Q693 WeakPolarHBondContact O-CG 3.29Å; E689-Q693 PolarHBondContact O-N 2.78Å; I691-Q693 PolarHBondContact O-N 3.44Å; Q693-H697 VanDerWaalsContact CA-CE1 3.48Å; Q693-H697 WeakPolarHBondContact CA-CE1 3.42Å; Q693-H697 PolarHBondContact O-CE1 3.49Å; Q693-H697 VanDerWaalsContact O-CE1 3.25Å; Q693-D700 PolarHBondContact NE2-O 2.65Å
694S94.4Very high96.3Very high36 Ų3631.8 Ų31.825%0.25217%0.169SC..THydrogen-bonded Turntrans-93.6-15.2175.5-53.20000112.8L582 K690 I691 W692L582-S694 WeakPolarHBondContact CD2-O 3.48Å; K690-S694 PolarHBondContact O-OG 3.21Å; I691-S694 WeakPolarHBondContact O-CA 3.13Å; I691-S694 WeakPolarHBondContact O-CB 3.25Å; I691-S694 PolarHBondContact O-N 3.06Å; W692-S694 PolarHBondContact O-N 2.77Å
695L94.8Very high96.2Very high8 Ų832.1 Ų32.14%0.04217%0.172CC..SBendtrans-80.1164.3176.8-67.4168.7000111L582 I585 L673 M677 I691 W692 H697L582-L695 HydrophobicContact CD2-CD2 3.53Å; L582-L695 HydrophobicContact CD2-CG 4.22Å; L582-L695 HydrophobicContact CG-CD2 4.09Å; I585-L695 HydrophobicContact CD1-CD2 4.3Å; L673-L695 HydrophobicContact CB-CD1 4.25Å; L673-L695 HydrophobicContact CB-CD2 4.39Å; L673-L695 HydrophobicContact CD2-CD1 4.22Å; L673-L695 HydrophobicContact CD2-CD2 3.57Å; L673-L695 HydrophobicContact CD2-CG 4.43Å; L673-L695 HydrophobicContact CG-CD1 3.89Å; L673-L695 HydrophobicContact CG-CD2 4.12Å; M677-L695 HydrophobicContact CG-CD1 4.24Å; I691-L695 HydrophobicContact CG2-CD1 4.39Å; I691-L695 PolarHBondContact O-N 3.3Å; W692-L695 WeakPolarHBondContact O-CB 3.28Å; W692-L695 PolarHBondContact O-N 3.33Å; L695-H697 PolarHBondContact O-N 2.99Å; L695-H697 PolarHBondContact O-ND1 3.44Å
696P93.9Very high96.2Very high16 Ų1636 Ų3610%0.10420%0.199CC..SBendtrans-63.8114.5161.7-12.326.6000109.2I585 F589I585-P696 HydrophobicContact CG2-CG 3.98Å; F589-P696 HydrophobicContact CD1-CB 4.42Å; F589-P696 HydrophobicContact CD1-CG 3.81Å; F589-P696 WeakPolarHBondContact O-CG 3.22Å
697H94.3Very high96.2Very high54 Ų5436.7 Ų36.725%0.2520%0.202CC..  trans-147.5164.7-174.465.8-83.8000112.5W692 Q693 L695 G699W692-H697 HydrophobicContact CD2-CB 4.18Å; W692-H697 HydrophobicContact CE3-CB 4.42Å; W692-H697 AromaticContact CE3-CD2 3.76Å; W692-H697 AromaticContact CE3-CG 3.98Å; W692-H697 HydrophobicContact CH2-CB 3.87Å; W692-H697 AromaticContact CH2-CD2 3.26Å; W692-H697 WeakPolarHBondContact CH2-CD2 3.42Å; W692-H697 AromaticContact CH2-CG 3.78Å; W692-H697 HydrophobicContact CZ2-CB 3.56Å; W692-H697 AromaticContact CZ2-CD2 3.92Å; W692-H697 AromaticContact CZ2-CG 3.98Å; W692-H697 HydrophobicContact CZ3-CB 4.27Å; W692-H697 AromaticContact CZ3-CD2 3.14Å; W692-H697 WeakPolarHBondContact CZ3-CD2 3.44Å; W692-H697 AromaticContact CZ3-CG 3.76Å; W692-H697 AromaticContact CZ3-NE2 3.73Å; W692-H697 PolarHBondContact O-ND1 2.89Å; W692-H697 VanDerWaalsContact O-ND1 3.17Å; Q693-H697 VanDerWaalsContact CA-CE1 3.48Å; Q693-H697 WeakPolarHBondContact CA-CE1 3.42Å; Q693-H697 PolarHBondContact O-CE1 3.49Å; Q693-H697 VanDerWaalsContact O-CE1 3.25Å; L695-H697 PolarHBondContact O-N 2.99Å; L695-H697 PolarHBondContact O-ND1 3.44Å; H697-G699 PolarHBondContact CD2-O 2.94Å; H697-G699 PolarHBondContact NE2-O 3.37Å
698E92.5Very high96.1Very high141 Ų14137 Ų3766%0.65920%0.203SC*.SBendtrans-110.8133.2170.6-68.6-176.5167.700110.5V591 W692V591-E698 HydrophobicContact CB-CG 4.45Å; V591-E698 HydrophobicContact CG1-CG 3.81Å; V591-E698 HydrophobicContact CG2-CG 4.18Å; W692-E698 VanDerWaalsContact CH2-O 3.28Å; W692-E698 WeakPolarHBondContact CH2-O 3.37Å
699G93.5Very high96.1Very high51 Ų5144.3 Ų44.353%0.52624%0.238SC..SBendtrans99.2168.9178.300000113.9H697H697-G699 PolarHBondContact CD2-O 2.94Å; H697-G699 PolarHBondContact NE2-O 3.37Å
700D94Very high96.1Very high121 Ų12147 Ų4765%0.64725%0.254SS*.SBendtrans-84.7-24.5-171.3-55.6-39.6000113.7Q693Q693-D700 PolarHBondContact NE2-O 2.65Å
701T97.5Very high96.1Very high3 Ų351 Ų512%0.01827%0.268CS..  trans-152.9143.6-170.1178.70000111.1Y25 E689 W692 V703 K704Y25-T701 HydrophobicContact CD1-CG2 4.28Å; Y25-T701 HydrophobicContact CD2-CG2 3.66Å; Y25-T701 HydrophobicContact CE1-CG2 4.16Å; Y25-T701 HydrophobicContact CE2-CG2 3.59Å; Y25-T701 HydrophobicContact CG-CG2 4.02Å; E689-T701 VanDerWaalsContact CD-OG1 3.27Å; E689-T701 WeakPolarHBondContact OE1-CB 3.43Å; E689-T701 PolarHBondContact OE1-OG1 2.9Å; E689-T701 PolarHBondContact OE2-OG1 3.36Å; W692-T701 VanDerWaalsContact CZ3-C 3.42Å; T701-V703 HydrophobicContact CG2-CB 4.08Å; T701-V703 PolarHBondContact O-N 2.83Å; T701-V703 WeakPolarHBondContact OG1-CB 3.45Å; T701-V703 WeakPolarHBondContact OG1-CG2 3.37Å; T701-V703 PolarHBondContact OG1-N 3.46Å; T701-K704 HydrophobicContact CG2-CB 4.18Å; T701-K704 HydrophobicContact CG2-CD 4.21Å; T701-K704 HydrophobicContact CG2-CG 3.97Å; T701-K704 PolarHBondContact O-N 2.68Å
702I98Very high96.1Very high0 Ų057.9 Ų57.90%030%0.3CS..G310 helixtrans-68.1-21176-157.9-178.7000111.7M677 R678 H681 E689 W692 K704 A705M677-I702 HydrophobicContact CB-CD1 3.76Å; R678-I702 HydrophobicContact CG-CD1 4.23Å; R678-I702 HydrophobicContact CG-CG1 4.31Å; H681-I702 HydrophobicContact CB-CD1 4.06Å; H681-I702 HydrophobicContact CB-CG2 4.34Å; H681-I702 WeakPolarHBondContact CE1-CG2 3.35Å; H681-I702 WeakPolarHBondContact ND1-CG2 3.22Å; E689-I702 HydrophobicContact CB-CG2 4.21Å; E689-I702 WeakPolarHBondContact OE2-CB 3.34Å; E689-I702 WeakPolarHBondContact OE2-CG2 3.29Å; E689-I702 PolarHBondContact OE2-N 3.17Å; W692-I702 HydrophobicContact CB-CB 4.17Å; W692-I702 HydrophobicContact CB-CD1 3.71Å; W692-I702 HydrophobicContact CB-CG1 4.21Å; W692-I702 HydrophobicContact CD2-CB 3.68Å; W692-I702 HydrophobicContact CD2-CD1 4.24Å; W692-I702 HydrophobicContact CD2-CG1 3.8Å; W692-I702 HydrophobicContact CE3-CB 3.78Å; W692-I702 HydrophobicContact CE3-CG1 4.4Å; W692-I702 HydrophobicContact CG-CB 3.87Å; W692-I702 HydrophobicContact CG-CD1 3.58Å; W692-I702 HydrophobicContact CG-CG1 3.69Å; W692-I702 HydrophobicContact CZ3-CB 4.39Å; I702-K704 PolarHBondContact O-N 3.4Å; I702-K704 VanDerWaalsContact O-N 3.07Å; I702-A705 HydrophobicContact CG1-CB 4.08Å; I702-A705 WeakPolarHBondContact O-CB 3.31Å; I702-A705 PolarHBondContact O-N 3.37Å
703V96.8Very high96Very high2 Ų262.4 Ų62.41%0.01233%0.332CS..G310 helixtrans-55.4-28.7176.21780000111.8W20 F26 R69 T701W20-V703 HydrophobicContact CD2-CG2 4.48Å; F26-V703 HydrophobicContact CD1-CG1 4Å; F26-V703 HydrophobicContact CE1-CG1 3.63Å; F26-V703 HydrophobicContact CE1-CG2 4.26Å; R69-V703 WeakPolarHBondContact CD-O 3.46Å; T701-V703 HydrophobicContact CG2-CB 4.08Å; T701-V703 PolarHBondContact O-N 2.83Å; T701-V703 WeakPolarHBondContact OG1-CB 3.45Å; T701-V703 WeakPolarHBondContact OG1-CG2 3.37Å; T701-V703 PolarHBondContact OG1-N 3.46Å
704K95.1Very high96.1Very high127 Ų12760.3 Ų60.355%0.55232%0.322SS*.G310 helixtrans-105.8-0180-67.8-175.6174.4179.80113.7Y25 T701 I702Y25-K704 HydrophobicContact CD1-CD 4.26Å; T701-K704 HydrophobicContact CG2-CB 4.18Å; T701-K704 HydrophobicContact CG2-CD 4.21Å; T701-K704 HydrophobicContact CG2-CG 3.97Å; T701-K704 PolarHBondContact O-N 2.68Å; I702-K704 PolarHBondContact O-N 3.4Å; I702-K704 VanDerWaalsContact O-N 3.07Å
705A96.6Very high96.2Very high8 Ų861.4 Ų61.47%0.06633%0.325CS..SBendtrans-72145.5-179.800000110.5M70 W692 I702M70-A705 WeakPolarHBondContact CA-O 3.24Å; M70-A705 WeakPolarHBondContact CB-O 3.15Å; M70-A705 HydrophobicContact CE-CB 4.44Å; M70-A705 WeakPolarHBondContact CE-O 3.24Å; M70-A705 VanDerWaalsContact CG-O 3.26Å; M70-A705 WeakPolarHBondContact CG-O 3.33Å; W692-A705 HydrophobicContact CH2-CB 4.5Å; W692-A705 HydrophobicContact CZ2-CB 3.96Å; I702-A705 HydrophobicContact CG1-CB 4.08Å; I702-A705 WeakPolarHBondContact O-CB 3.31Å; I702-A705 PolarHBondContact O-N 3.37Å
706S97.3Very high96.4Very high81 Ų8163.4 Ų63.457%0.56633%0.333SS*.PPolyproline II helixtrans-66147177.6-50.20000112.4M70 R678M70-S706 CarbonylContact O-C 3.41Å; M70-S706 WeakPolarHBondContact O-CA 3.32Å; R678-S706 WeakPolarHBondContact CD-O 3.3Å; R678-S706 PolarHBondContact NH1-O 2.86Å
707W98.2Very high96.4Very high17 Ų1766.6 Ų66.66%0.06435%0.347CS..PPolyproline II helixtrans-63.4144.1173-171.8-103.1000110.5M67 M70 Q71 V618 T619 M679 P682M67-W707 HydrophobicContact CB-CZ3 4.4Å; M67-W707 HydrophobicContact CE-CH2 4.14Å; M67-W707 HydrophobicContact CE-CZ2 3.58Å; M67-W707 HydrophobicContact CG-CD2 4.26Å; M67-W707 HydrophobicContact CG-CE3 4.02Å; M67-W707 HydrophobicContact CG-CH2 4.02Å; M67-W707 HydrophobicContact CG-CZ2 4.26Å; M67-W707 HydrophobicContact CG-CZ3 3.91Å; M67-W707 HydrophobicContact SD-CH2 4.03Å; M67-W707 HydrophobicContact SD-CZ2 4.09Å; M67-W707 HydrophobicContact SD-CZ3 4.5Å; M70-W707 HydrophobicContact CB-CB 4.05Å; M70-W707 HydrophobicContact CB-CE3 4.19Å; M70-W707 HydrophobicContact CE-CE3 4.47Å; M70-W707 PolarHBondContact O-N 3.08Å; M70-W707 HydrophobicContact SD-CE3 4.3Å; Q71-W707 HydrophobicContact CB-CB 4.43Å; Q71-W707 HydrophobicContact CG-CB 3.69Å; Q71-W707 HydrophobicContact CG-CD2 4.38Å; Q71-W707 HydrophobicContact CG-CG 3.73Å; V618-W707 HydrophobicContact CG1-CH2 4.3Å; V618-W707 HydrophobicContact CG1-CZ2 4.02Å; T619-W707 PolarHBondContact OG1-NE1 2.76Å; M679-W707 HydrophobicContact CB-CH2 4.43Å; M679-W707 HydrophobicContact CG-CH2 4.48Å; M679-W707 HydrophobicContact CG-CZ2 4.44Å; P682-W707 HydrophobicContact CG-CH2 4.37Å; P682-W707 HydrophobicContact CG-CZ3 3.77Å
708P98Very high96.4Very high6 Ų670.7 Ų70.74%0.03937%0.366CS..PPolyproline II helixtrans-59.7138.9174.9-30.541.6000113I615 N675 R678 M679I615-P708 HydrophobicContact CD1-CB 3.66Å; I615-P708 HydrophobicContact CG1-CB 3.75Å; I615-P708 HydrophobicContact CG2-CB 3.96Å; I615-P708 WeakPolarHBondContact CG2-O 3.21Å; N675-P708 HydrophobicContact CB-CG 4.29Å; N675-P708 VanDerWaalsContact OD1-CB 3.24Å; N675-P708 WeakPolarHBondContact OD1-CB 3.34Å; N675-P708 WeakPolarHBondContact OD1-CG 3.28Å; R678-P708 HydrophobicContact CB-CG 3.66Å; M679-P708 HydrophobicContact CG-CG 3.97Å
709E97.7Very high96.5Very high154 Ų15464.7 Ų64.772%0.7234%0.34SS*.  trans-118.1146.8175.9-67.7-178.2174.200110.9R711E709-R711 PolarHBondContact O-N 3.08Å
710V98.4Very high96.5Very high57 Ų5763.4 Ų63.435%0.34532%0.32SS..  trans-68.4128.2175.6178.80000109.7N612 I615 A616 I715N612-V710 HydrophobicContact CB-CG1 4.3Å; N612-V710 WeakPolarHBondContact OD1-CA 3.48Å; I615-V710 HydrophobicContact CB-CG2 4.39Å; I615-V710 HydrophobicContact CG2-CG2 4.02Å; A616-V710 HydrophobicContact CB-CG2 3.87Å; V710-I715 HydrophobicContact CG1-CD1 4.27Å
711R97.4Very high96.4Very high132 Ų13262.3 Ų62.350%0.49831%0.31SS..  trans-111.799.9173.7-67.6-174.9170.6-174.3-5.4109.6N612 Y671 E709 S713 L714N612-R711 PolarHBondContact OD1-N 3.39Å; Y671-R711 WeakPolarHBondContact OH-CD 3.24Å; E709-R711 PolarHBondContact O-N 3.08Å; R711-S713 PolarHBondContact O-N 2.67Å; R711-S713 VanDerWaalsContact O-N 3.08Å; R711-L714 HydrophobicContact CB-CB 4.38Å; R711-L714 HydrophobicContact CB-CD1 4.02Å; R711-L714 HydrophobicContact CB-CG 4.06Å; R711-L714 WeakPolarHBondContact O-CB 3.45Å; R711-L714 PolarHBondContact O-N 2.81Å
712E96.6Very high96.3Very high145 Ų14562.7 Ų62.768%0.67831%0.313SS*.G310 helixtrans-52-32.5178.3-66.6-64.3156.100113.3L714 I715E712-L714 PolarHBondContact O-N 3.24Å; E712-L714 VanDerWaalsContact O-N 3.16Å; E712-I715 PolarHBondContact O-N 3.28Å
713S96.2Very high96.2Very high95 Ų9562.7 Ų62.766%0.66431%0.313SS*.G310 helixtrans-66.3-12.9176.657.30000114.6R711R711-S713 PolarHBondContact O-N 2.67Å; R711-S713 VanDerWaalsContact O-N 3.08Å
714L96.9Very high95.9Very high13 Ų1367.3 Ų67.37%0.06833%0.334CS..G310 helixtrans-106.914.3179.5-58-177.3000112.6L596 L608 T609 Y671 R711 E712 F716L596-L714 HydrophobicContact CD1-CD1 4.04Å; L608-L714 CarbonylContact C-O 3.47Å; L608-L714 HydrophobicContact CB-CB 4.41Å; L608-L714 HydrophobicContact CD1-CD2 4.44Å; T609-L714 PolarHBondContact N-O 3.05Å; Y671-L714 HydrophobicContact CE1-CD1 4.01Å; R711-L714 HydrophobicContact CB-CB 4.38Å; R711-L714 HydrophobicContact CB-CD1 4.02Å; R711-L714 HydrophobicContact CB-CG 4.06Å; R711-L714 WeakPolarHBondContact O-CB 3.45Å; R711-L714 PolarHBondContact O-N 2.81Å; E712-L714 PolarHBondContact O-N 3.24Å; E712-L714 VanDerWaalsContact O-N 3.16Å; L714-F716 HydrophobicContact CB-CE2 4.41Å; L714-F716 HydrophobicContact CD2-CZ 4.48Å; L714-F716 WeakPolarHBondContact O-CD2 3.15Å; L714-F716 WeakPolarHBondContact O-CE2 3.3Å
715I97.5Very high95.8Very high58 Ų5862.7 Ų62.730%0.29732%0.315SS..  trans-100.1116.6175-61.5-178.6000109T609 N612 V710 E712T609-I715 HydrophobicContact CG2-CG2 4.13Å; N612-I715 HydrophobicContact CB-CD1 4.36Å; N612-I715 HydrophobicContact CB-CG1 4.05Å; V710-I715 HydrophobicContact CG1-CD1 4.27Å; E712-I715 PolarHBondContact O-N 3.28Å
716F97.4Very high95.8Very high50 Ų5062.3 Ų62.322%0.21931%0.312CS..  trans-125.275.7-173.5-53.5-80.8000110.7L600 K605 L608 T609 L714 E718 S719 K720L600-F716 HydrophobicContact CD1-CE2 4.02Å; L600-F716 HydrophobicContact CD1-CZ 3.76Å; K605-F716 HydrophobicContact CB-CB 3.89Å; K605-F716 HydrophobicContact CB-CD2 3.6Å; K605-F716 HydrophobicContact CB-CE2 4.21Å; K605-F716 HydrophobicContact CB-CG 3.77Å; K605-F716 HydrophobicContact CD-CB 4.49Å; K605-F716 HydrophobicContact CD-CD1 4.14Å; K605-F716 HydrophobicContact CD-CG 4.17Å; K605-F716 HydrophobicContact CG-CB 4.43Å; K605-F716 HydrophobicContact CG-CD1 4.19Å; K605-F716 HydrophobicContact CG-CD2 3.84Å; K605-F716 HydrophobicContact CG-CE1 4.39Å; K605-F716 HydrophobicContact CG-CE2 4.04Å; K605-F716 HydrophobicContact CG-CG 3.9Å; K605-F716 HydrophobicContact CG-CZ 4.32Å; K605-F716 WeakPolarHBondContact O-CD2 3.42Å; L608-F716 HydrophobicContact CB-CE2 4.48Å; L608-F716 HydrophobicContact CD1-CE2 4.43Å; T609-F716 PolarHBondContact OG1-N 3.02Å; L714-F716 HydrophobicContact CB-CE2 4.41Å; L714-F716 HydrophobicContact CD2-CZ 4.48Å; L714-F716 WeakPolarHBondContact O-CD2 3.15Å; L714-F716 WeakPolarHBondContact O-CE2 3.3Å; F716-E718 VanDerWaalsContact C-N 3.32Å; F716-E718 PolarHBondContact O-N 3.49Å; F716-S719 WeakPolarHBondContact O-CB 3.29Å; F716-S719 PolarHBondContact O-N 3.15Å; F716-K720 PolarHBondContact O-N 2.83Å
717E94.6Very high95.6Very high83 Ų8359.4 Ų59.439%0.38829%0.29SS..Hα-helixtrans-58.5-39.2-170.1-168.958.7-158.200113.6S719 K720 Q721E717-S719 PolarHBondContact O-N 2.9Å; E717-K720 PolarHBondContact O-N 2.75Å; E717-K720 IonicContact OE1-NZ 3.51Å; E717-K720 PolarHBondContact OE1-NZ 3Å; E717-K720 VanDerWaalsContact OE1-NZ 3.11Å; E717-K720 IonicContact OE2-NZ 3.51Å; E717-K720 PolarHBondContact OE2-NZ 3.24Å; E717-Q721 WeakPolarHBondContact O-CG 3.35Å; E717-Q721 PolarHBondContact O-N 3.4Å
718E93.6Very high95.4Very high140 Ų14061.4 Ų61.465%0.65430%0.3SS*.Hα-helixtrans-63.3-40.7176-172.1-174.3175.500112.2F716 K720 Q721 T722F716-E718 VanDerWaalsContact C-N 3.32Å; F716-E718 PolarHBondContact O-N 3.49Å; E718-K720 VanDerWaalsContact C-N 3.34Å; E718-Q721 PolarHBondContact O-N 3.28Å; E718-T722 WeakPolarHBondContact O-CB 3.21Å; E718-T722 PolarHBondContact O-N 3.28Å; E718-T722 PolarHBondContact O-OG1 3.19Å
719S95.2Very high95.3Very high16 Ų1661.1 Ų61.111%0.11230%0.299CS..Hα-helixtrans-67.1-38176.8-64.60000111.2K605 F716 E717 T722 M723K605-S719 WeakPolarHBondContact CD-OG 3.34Å; F716-S719 WeakPolarHBondContact O-CB 3.29Å; F716-S719 PolarHBondContact O-N 3.15Å; E717-S719 PolarHBondContact O-N 2.9Å; S719-T722 PolarHBondContact O-N 2.97Å; S719-M723 WeakPolarHBondContact O-CB 3.35Å; S719-M723 PolarHBondContact O-N 3.23Å
720K94.2Very high95.1Very high24 Ų2453.8 Ų53.810%0.10426%0.264CS..Hα-helixtrans-63.7-46.6174.8171.8-177.4144.6-150.70112.1T609 E613 F716 E717 E718 M723 Q724T609-K720 HydrophobicContact CG2-CB 4.23Å; T609-K720 HydrophobicContact CG2-CD 3.84Å; E613-K720 WeakPolarHBondContact OE1-CE 3.37Å; E613-K720 IonicContact OE1-NZ 3.43Å; E613-K720 PolarHBondContact OE1-NZ 3.17Å; F716-K720 PolarHBondContact O-N 2.83Å; E717-K720 PolarHBondContact O-N 2.75Å; E717-K720 IonicContact OE1-NZ 3.51Å; E717-K720 PolarHBondContact OE1-NZ 3Å; E717-K720 VanDerWaalsContact OE1-NZ 3.11Å; E717-K720 IonicContact OE2-NZ 3.51Å; E717-K720 PolarHBondContact OE2-NZ 3.24Å; E718-K720 VanDerWaalsContact C-N 3.34Å; K720-M723 PolarHBondContact O-N 3.45Å; K720-Q724 WeakPolarHBondContact O-CG 3.33Å; K720-Q724 PolarHBondContact O-N 2.95Å
721Q91.7Very high94.9Very high97 Ų9756.9 Ų56.945%0.45327%0.273SS..Hα-helixtrans-62.3-44.2176.8-71.4177.95.100111.9E717 E718 M723 Q724 Q725E717-Q721 WeakPolarHBondContact O-CG 3.35Å; E717-Q721 PolarHBondContact O-N 3.4Å; E718-Q721 PolarHBondContact O-N 3.28Å; Q721-M723 VanDerWaalsContact C-N 3.31Å; Q721-M723 PolarHBondContact O-N 3.17Å; Q721-Q724 WeakPolarHBondContact O-CB 3.47Å; Q721-Q724 PolarHBondContact O-N 3.33Å; Q721-Q725 WeakPolarHBondContact O-CG 3.42Å; Q721-Q725 PolarHBondContact O-N 2.86Å; Q721-Q725 VanDerWaalsContact O-N 3.08Å
722T95.1Very high94.7Very high12 Ų1251.3 Ų51.37%0.07426%0.255CS..Hα-helixtrans-60.3-42.7175.8-61.30000111.4L602 E718 S719 Q725 L726 T762L602-T722 HydrophobicContact CD1-CG2 3.91Å; L602-T722 HydrophobicContact CD2-CG2 3.69Å; L602-T722 HydrophobicContact CG-CG2 4.47Å; E718-T722 WeakPolarHBondContact O-CB 3.21Å; E718-T722 PolarHBondContact O-N 3.28Å; E718-T722 PolarHBondContact O-OG1 3.19Å; S719-T722 PolarHBondContact O-N 2.97Å; T722-Q725 WeakPolarHBondContact O-CB 3.37Å; T722-Q725 PolarHBondContact O-N 3.42Å; T722-L726 HydrophobicContact CG2-CD1 4.42Å; T722-L726 WeakPolarHBondContact O-CG 3.5Å; T722-L726 PolarHBondContact O-N 2.53Å; T722-L726 VanDerWaalsContact O-N 3.11Å; T722-T762 HydrophobicContact CG2-CG2 3.29Å
723M94.9Very high94.6Very high0 Ų044.5 Ų44.50%022%0.223CC..Hα-helixtrans-66.1-39.8177.7-171.557.580.300112.2L602 A603 W606 M649 S719 K720 Q721 Q725 L726 V727L602-M723 HydrophobicContact CD2-CE 3.92Å; L602-M723 HydrophobicContact CG-CE 3.94Å; A603-M723 HydrophobicContact CB-CE 3.92Å; W606-M723 HydrophobicContact CB-CB 3.91Å; W606-M723 HydrophobicContact CB-CE 4.39Å; W606-M723 HydrophobicContact CB-CG 4.08Å; W606-M723 HydrophobicContact CD2-CB 4.19Å; W606-M723 HydrophobicContact CD2-CG 3.54Å; W606-M723 HydrophobicContact CE3-CE 4.4Å; W606-M723 HydrophobicContact CE3-CG 4.03Å; W606-M723 HydrophobicContact CG-CB 3.63Å; W606-M723 HydrophobicContact CG-CG 3.53Å; M649-M723 HydrophobicContact CE-CE 3.91Å; M649-M723 HydrophobicContact CE-SD 3.37Å; M649-M723 WeakPolarHBondContact CE-SD 3.28Å; M649-M723 HydrophobicContact SD-CE 3.57Å; M649-M723 VanDerWaalsContact SD-CE 3.57Å; M649-M723 HydrophobicContact SD-SD 3.85Å; S719-M723 WeakPolarHBondContact O-CB 3.35Å; S719-M723 PolarHBondContact O-N 3.23Å; K720-M723 PolarHBondContact O-N 3.45Å; Q721-M723 VanDerWaalsContact C-N 3.31Å; Q721-M723 PolarHBondContact O-N 3.17Å; M723-Q725 VanDerWaalsContact C-N 3.29Å; M723-Q725 PolarHBondContact O-N 2.81Å; M723-L726 PolarHBondContact O-N 2.85Å; M723-L726 HydrophobicContact SD-CB 4.37Å; M723-L726 HydrophobicContact SD-CD1 4.26Å; M723-V727 HydrophobicContact CG-CG2 4.21Å; M723-V727 WeakPolarHBondContact O-CB 3.25Å; M723-V727 WeakPolarHBondContact O-CG2 3.32Å; M723-V727 PolarHBondContact O-N 3.3Å; M723-V727 HydrophobicContact SD-CG2 4.27Å
724Q91.9Very high94.4Very high98 Ų9844.1 Ų44.146%0.45821%0.207SC..Hα-helixtrans-57.6-43.4174.7-75.6174.3-19.100111.7K720 Q721 V727 E728K720-Q724 WeakPolarHBondContact O-CG 3.33Å; K720-Q724 PolarHBondContact O-N 2.95Å; Q721-Q724 WeakPolarHBondContact O-CB 3.47Å; Q721-Q724 PolarHBondContact O-N 3.33Å; Q724-V727 PolarHBondContact O-N 2.87Å; Q724-E728 WeakPolarHBondContact O-CB 3.47Å; Q724-E728 PolarHBondContact O-N 2.86Å
725Q93.3Very high94.1Very high31 Ų3148.3 Ų48.315%0.14523%0.226CC..Hα-helixtrans-60-46.3175.4-69.7170.2-1.200112Q721 T722 M723 E728 I729 A798Q721-Q725 WeakPolarHBondContact O-CG 3.42Å; Q721-Q725 PolarHBondContact O-N 2.86Å; Q721-Q725 VanDerWaalsContact O-N 3.08Å; T722-Q725 WeakPolarHBondContact O-CB 3.37Å; T722-Q725 PolarHBondContact O-N 3.42Å; M723-Q725 VanDerWaalsContact C-N 3.29Å; M723-Q725 PolarHBondContact O-N 2.81Å; Q725-E728 PolarHBondContact O-N 3.44Å; Q725-I729 WeakPolarHBondContact O-CD1 3.4Å; Q725-I729 VanDerWaalsContact O-CG1 3.31Å; Q725-I729 WeakPolarHBondContact O-CG1 3.05Å; Q725-I729 PolarHBondContact O-N 3.06Å; Q725-I729 VanDerWaalsContact O-N 3.07Å; Q725-A798 HydrophobicContact CB-CB 4.06Å; Q725-A798 HydrophobicContact CG-CB 4.19Å
726L95.5Very high93.7Very high0 Ų045.6 Ų45.60%021%0.212CC..Hα-helixtrans-63.4-46.2177.9-69.7169.4000111.9L602 T722 M723 E728 I729 I730 L763 N766 Y769 L770L602-L726 HydrophobicContact CD2-CD1 3.41Å; L602-L726 VanDerWaalsContact CD2-CD1 3.41Å; T722-L726 HydrophobicContact CG2-CD1 4.42Å; T722-L726 WeakPolarHBondContact O-CG 3.5Å; T722-L726 PolarHBondContact O-N 2.53Å; T722-L726 VanDerWaalsContact O-N 3.11Å; M723-L726 PolarHBondContact O-N 2.85Å; M723-L726 HydrophobicContact SD-CB 4.37Å; M723-L726 HydrophobicContact SD-CD1 4.26Å; L726-E728 VanDerWaalsContact C-N 3.32Å; L726-E728 PolarHBondContact O-N 3.3Å; L726-I729 PolarHBondContact O-N 2.82Å; L726-I730 WeakPolarHBondContact O-CD1 3.29Å; L726-I730 VanDerWaalsContact O-CG1 3.22Å; L726-I730 WeakPolarHBondContact O-CG1 3.26Å; L726-I730 PolarHBondContact O-N 3.3Å; L726-L763 HydrophobicContact CD2-CD2 3.66Å; L726-L763 HydrophobicContact CG-CD2 4.34Å; L726-N766 HydrophobicContact CD1-CB 3.84Å; L726-N766 HydrophobicContact CD2-CB 4.42Å; L726-Y769 HydrophobicContact CD1-CD2 3.9Å; L726-Y769 HydrophobicContact CD1-CG 4.5Å; L726-L770 HydrophobicContact CD2-CD1 4.23Å; L726-L770 HydrophobicContact CD2-CD2 3.87Å; L726-L770 HydrophobicContact CD2-CG 3.89Å
727V93.8Very high93.3Very high19 Ų1943.3 Ų43.312%0.11520%0.202CC..Hα-helixtrans-60.7-42.4178.9164.10000111.1W645 M649 M723 Q724 I730 K731W645-V727 HydrophobicContact CD2-CG2 3.94Å; W645-V727 HydrophobicContact CE3-CG2 4.05Å; W645-V727 HydrophobicContact CH2-CB 4.36Å; W645-V727 HydrophobicContact CH2-CG1 4.05Å; W645-V727 HydrophobicContact CH2-CG2 4.14Å; W645-V727 HydrophobicContact CZ2-CB 4.25Å; W645-V727 HydrophobicContact CZ2-CG1 3.51Å; W645-V727 HydrophobicContact CZ2-CG2 4.1Å; W645-V727 HydrophobicContact CZ3-CG2 4.12Å; M649-V727 HydrophobicContact CE-CG2 4.42Å; M723-V727 HydrophobicContact CG-CG2 4.21Å; M723-V727 WeakPolarHBondContact O-CB 3.25Å; M723-V727 WeakPolarHBondContact O-CG2 3.32Å; M723-V727 PolarHBondContact O-N 3.3Å; M723-V727 HydrophobicContact SD-CG2 4.27Å; Q724-V727 PolarHBondContact O-N 2.87Å; V727-I730 PolarHBondContact O-N 2.87Å; V727-K731 HydrophobicContact CG1-CD 4.1Å; V727-K731 HydrophobicContact CG1-CG 4.44Å; V727-K731 WeakPolarHBondContact O-CB 3.15Å; V727-K731 WeakPolarHBondContact O-CG 3.4Å; V727-K731 PolarHBondContact O-N 3.43Å
728E93.2Very high93Very high59 Ų5944.4 Ų44.428%0.27621%0.214SC..Hα-helixtrans-63.6-44.6177.1-166-171.8-177.400111.7Q724 Q725 L726 I730 K731 S732 V796 I797Q724-E728 WeakPolarHBondContact O-CB 3.47Å; Q724-E728 PolarHBondContact O-N 2.86Å; Q725-E728 PolarHBondContact O-N 3.44Å; L726-E728 VanDerWaalsContact C-N 3.32Å; L726-E728 PolarHBondContact O-N 3.3Å; E728-I730 PolarHBondContact O-N 3.42Å; E728-K731 PolarHBondContact O-N 2.9Å; E728-S732 VanDerWaalsContact O-CB 3.29Å; E728-S732 WeakPolarHBondContact O-CB 3.35Å; E728-S732 PolarHBondContact O-N 3.47Å; E728-V796 HydrophobicContact CG-CB 4.03Å; E728-V796 HydrophobicContact CG-CG1 3.91Å; E728-V796 WeakPolarHBondContact OE1-CA 3.38Å; E728-I797 PolarHBondContact OE1-N 2.85Å; E728-I797 WeakPolarHBondContact OE2-CB 3.5Å; E728-I797 WeakPolarHBondContact OE2-CD1 3.37Å; E728-I797 WeakPolarHBondContact OE2-CG1 3.26Å; E728-I797 PolarHBondContact OE2-N 3.09Å
729I95.6Very high92.4Very high1 Ų142.5 Ų42.51%0.00521%0.205CC..Hα-helixtrans-58.2-48173.5-69.7162.6000110.5Q725 L726 K731 S732 V733 I752 L763 L770 V796 A798 V801Q725-I729 WeakPolarHBondContact O-CD1 3.4Å; Q725-I729 VanDerWaalsContact O-CG1 3.31Å; Q725-I729 WeakPolarHBondContact O-CG1 3.05Å; Q725-I729 PolarHBondContact O-N 3.06Å; Q725-I729 VanDerWaalsContact O-N 3.07Å; L726-I729 PolarHBondContact O-N 2.82Å; I729-K731 PolarHBondContact O-N 2.75Å; I729-S732 WeakPolarHBondContact O-CB 3.16Å; I729-S732 PolarHBondContact O-N 3.24Å; I729-V733 WeakPolarHBondContact O-CG2 3.01Å; I729-V733 PolarHBondContact O-N 3.47Å; I729-I752 HydrophobicContact CD1-CD1 4.39Å; I729-I752 HydrophobicContact CG2-CD1 3.8Å; I729-L763 HydrophobicContact CD1-CD1 3.82Å; I729-L763 HydrophobicContact CD1-CD2 3.6Å; I729-L763 HydrophobicContact CD1-CG 4.39Å; I729-L770 HydrophobicContact CB-CD2 4.18Å; I729-L770 HydrophobicContact CG2-CD2 3.62Å; I729-V796 HydrophobicContact CG1-CG2 3.99Å; I729-A798 HydrophobicContact CD1-CB 3.96Å; I729-A798 HydrophobicContact CG1-CB 4.49Å; I729-V801 HydrophobicContact CB-CG2 4.26Å; I729-V801 HydrophobicContact CG1-CG2 4.06Å; I729-V801 HydrophobicContact CG2-CG2 3.88Å
730I95.2Very high91.7Very high0 Ų042.2 Ų42.20%020%0.203CC..Hα-helixtrans-62.3-45.5-179.1-67.4161.6000110.8W645 L726 V727 E728 S732 V733 R734 L770 F773W645-I730 HydrophobicContact CH2-CB 3.99Å; W645-I730 HydrophobicContact CH2-CD1 4.32Å; W645-I730 HydrophobicContact CH2-CG2 3.66Å; W645-I730 HydrophobicContact CZ3-CB 4.35Å; W645-I730 HydrophobicContact CZ3-CD1 3.86Å; W645-I730 HydrophobicContact CZ3-CG2 3.99Å; L726-I730 WeakPolarHBondContact O-CD1 3.29Å; L726-I730 VanDerWaalsContact O-CG1 3.22Å; L726-I730 WeakPolarHBondContact O-CG1 3.26Å; L726-I730 PolarHBondContact O-N 3.3Å; V727-I730 PolarHBondContact O-N 2.87Å; E728-I730 PolarHBondContact O-N 3.42Å; I730-S732 VanDerWaalsContact C-N 3.33Å; I730-S732 PolarHBondContact O-N 2.99Å; I730-V733 PolarHBondContact O-N 3.49Å; I730-R734 WeakPolarHBondContact O-CG 3.19Å; I730-R734 PolarHBondContact O-N 3.01Å; I730-L770 HydrophobicContact CG1-CD2 3.99Å; I730-F773 HydrophobicContact CB-CB 4.49Å; I730-F773 HydrophobicContact CD1-CB 3.83Å; I730-F773 HydrophobicContact CD1-CD2 3.77Å; I730-F773 HydrophobicContact CD1-CG 4.05Å; I730-F773 HydrophobicContact CG1-CB 3.98Å; I730-F773 HydrophobicContact CG2-CB 3.66Å; I730-F773 HydrophobicContact CG2-CG 4.39Å
731K94.1Very high91.1Very high121 Ų12145.7 Ų45.753%0.52622%0.223SC..Hα-helixtrans-60.7-43.2175.8-75.9-179.3177.7-177.20111.1W645 V727 E728 I729 R734 Q735W645-K731 HydrophobicContact CZ2-CG 4.23Å; V727-K731 HydrophobicContact CG1-CD 4.1Å; V727-K731 HydrophobicContact CG1-CG 4.44Å; V727-K731 WeakPolarHBondContact O-CB 3.15Å; V727-K731 WeakPolarHBondContact O-CG 3.4Å; V727-K731 PolarHBondContact O-N 3.43Å; E728-K731 PolarHBondContact O-N 2.9Å; I729-K731 PolarHBondContact O-N 2.75Å; K731-R734 PolarHBondContact O-N 2.98Å; K731-Q735 WeakPolarHBondContact O-CB 3.36Å; K731-Q735 PolarHBondContact O-N 3.45Å
732S93.3Very high90.7Very high16 Ų1641.8 Ų41.811%0.11221%0.205CC..Hα-helixtrans-61.3-44.1176.7172.10000112.6E728 I729 I730 Q735 S736 S794E728-S732 VanDerWaalsContact O-CB 3.29Å; E728-S732 WeakPolarHBondContact O-CB 3.35Å; E728-S732 PolarHBondContact O-N 3.47Å; I729-S732 WeakPolarHBondContact O-CB 3.16Å; I729-S732 PolarHBondContact O-N 3.24Å; I730-S732 VanDerWaalsContact C-N 3.33Å; I730-S732 PolarHBondContact O-N 2.99Å; S732-Q735 PolarHBondContact O-N 3.5Å; S732-S736 WeakPolarHBondContact O-CB 3.29Å; S732-S736 PolarHBondContact O-N 3.15Å; S732-S736 PolarHBondContact O-OG 2.9Å; S732-S794 WeakPolarHBondContact OG-CB 3.39Å; S732-S794 PolarHBondContact OG-OG 3.02Å
733V93.7Very high90.3Very high1 Ų145 Ų451%0.00623%0.226CC..Hα-helixtrans-63.5-44.3175.1173.40000111.1I729 I730 S736 R737 I750 C774 V801I729-V733 WeakPolarHBondContact O-CG2 3.01Å; I729-V733 PolarHBondContact O-N 3.47Å; I730-V733 PolarHBondContact O-N 3.49Å; V733-S736 PolarHBondContact O-N 2.81Å; V733-R737 HydrophobicContact CG1-CG 4.37Å; V733-R737 WeakPolarHBondContact O-CB 3.03Å; V733-R737 WeakPolarHBondContact O-CG 3.49Å; V733-R737 PolarHBondContact O-N 2.8Å; V733-I750 HydrophobicContact CG1-CD1 3.87Å; V733-I750 HydrophobicContact CG2-CD1 4.17Å; V733-I750 HydrophobicContact CG2-CG2 4.4Å; V733-C774 HydrophobicContact CB-CB 4.4Å; V733-C774 HydrophobicContact CG1-CB 3.94Å; V733-C774 HydrophobicContact CG2-CB 4.46Å; V733-V801 HydrophobicContact CG2-CG1 3.59Å
734R92.7Very high90Very high88 Ų8848.7 Ų48.733%0.33225%0.246SC..Hα-helixtrans-59.8-47.1177.8-75176.2176.7-177.72.3111.3I730 K731 R737 V738 L744I730-R734 WeakPolarHBondContact O-CG 3.19Å; I730-R734 PolarHBondContact O-N 3.01Å; K731-R734 PolarHBondContact O-N 2.98Å; R734-R737 WeakPolarHBondContact O-CB 3.46Å; R734-R737 PolarHBondContact O-N 2.75Å; R734-V738 WeakPolarHBondContact O-CG2 3.49Å; R734-V738 PolarHBondContact O-N 2.93Å; R734-L744 HydrophobicContact CG-CD1 4.28Å; R734-L744 HydrophobicContact CG-CD2 3.73Å
735Q90.4Very high89.9Confident101 Ų10148.8 Ų48.847%0.47226%0.257SS..Hα-helixtrans-60.5-49.6177.4-179.957.831.900111.2K731 S732 R737 V738 E739K731-Q735 WeakPolarHBondContact O-CB 3.36Å; K731-Q735 PolarHBondContact O-N 3.45Å; S732-Q735 PolarHBondContact O-N 3.5Å; Q735-R737 VanDerWaalsContact C-N 3.3Å; Q735-R737 PolarHBondContact O-N 3.24Å; Q735-V738 WeakPolarHBondContact O-CB 3.34Å; Q735-V738 PolarHBondContact O-N 3.48Å; Q735-V738 VanDerWaalsContact O-N 3.08Å; Q735-E739 PolarHBondContact NE2-OE1 3.42Å; Q735-E739 PolarHBondContact O-N 3.42Å
736S89.2Confident89.7Confident1 Ų151.5 Ų51.51%0.00727%0.268CS..Hα-helixtrans-58.5-41.7178.2-61.10000111.9S732 V733 V738 E739 V740 M792 S794S732-S736 WeakPolarHBondContact O-CB 3.29Å; S732-S736 PolarHBondContact O-N 3.15Å; S732-S736 PolarHBondContact O-OG 2.9Å; V733-S736 PolarHBondContact O-N 2.81Å; S736-V738 PolarHBondContact O-N 3.28Å; S736-E739 PolarHBondContact O-N 2.84Å; S736-V740 WeakPolarHBondContact O-CG2 3.39Å; S736-V740 PolarHBondContact O-N 3.03Å; S736-V740 VanDerWaalsContact O-N 3.08Å; S736-M792 VanDerWaalsContact CA-SD 3.6Å; S736-M792 WeakPolarHBondContact CB-SD 3.35Å; S736-S794 PolarHBondContact OG-OG 2.88Å
737R88.8Confident89.5Confident2 Ų257.6 Ų57.61%0.00830%0.297CS..Hα-helixtrans-61.4-40.6175.1-82.4177.5175.6-101.16.8112.6V733 R734 Q735 V740 N741 T742 P743 L744 K746 I748 C774 N775V733-R737 HydrophobicContact CG1-CG 4.37Å; V733-R737 WeakPolarHBondContact O-CB 3.03Å; V733-R737 WeakPolarHBondContact O-CG 3.49Å; V733-R737 PolarHBondContact O-N 2.8Å; R734-R737 WeakPolarHBondContact O-CB 3.46Å; R734-R737 PolarHBondContact O-N 2.75Å; Q735-R737 VanDerWaalsContact C-N 3.3Å; Q735-R737 PolarHBondContact O-N 3.24Å; R737-V740 CarbonylContact O-C 3.51Å; R737-V740 WeakPolarHBondContact O-CG2 3.35Å; R737-V740 PolarHBondContact O-N 3Å; R737-N741 PolarHBondContact O-N 3.1Å; R737-T742 PolarHBondContact O-N 2.86Å; R737-P743 PolarHBondContact NH1-O 3.21Å; R737-L744 VanDerWaalsContact CD-CD2 3.46Å; R737-K746 VanDerWaalsContact CZ-O 3.31Å; R737-K746 PolarHBondContact NH1-O 2.71Å; R737-K746 PolarHBondContact NH2-O 2.84Å; R737-I748 HydrophobicContact CG-CD1 3.77Å; R737-I748 VanDerWaalsContact NH2-CG1 3.33Å; R737-C774 PolarHBondContact NH2-O 3.02Å; R737-N775 PolarHBondContact NH2-O 3.28Å; R737-N775 VanDerWaalsContact NH2-O 3.08Å
738V86.6Confident89.3Confident105 Ų10556.8 Ų56.864%0.63629%0.292SS*.Hα-helixtrans-63.1-43.5175.1171.80000110.4R734 Q735 S736 V740 N741R734-V738 WeakPolarHBondContact O-CG2 3.49Å; R734-V738 PolarHBondContact O-N 2.93Å; Q735-V738 WeakPolarHBondContact O-CB 3.34Å; Q735-V738 PolarHBondContact O-N 3.48Å; Q735-V738 VanDerWaalsContact O-N 3.08Å; S736-V738 PolarHBondContact O-N 3.28Å; V738-V740 VanDerWaalsContact C-N 3.27Å; V738-V740 PolarHBondContact O-N 3.45Å; V738-N741 PolarHBondContact O-N 3.04Å
739E82.5Confident89.3Confident101 Ų10155.5 Ų55.547%0.47229%0.289SS..Hα-helixtrans-64.5-29178.8-70.8175.1-160.500113.7Q735 S736 M792Q735-E739 PolarHBondContact NE2-OE1 3.42Å; Q735-E739 PolarHBondContact O-N 3.42Å; S736-E739 PolarHBondContact O-N 2.84Å; E739-M792 HydrophobicContact CB-CE 3.82Å; E739-M792 HydrophobicContact CB-SD 4.31Å
740V80.8Confident89.2Confident10 Ų1055.5 Ų55.56%0.06129%0.289CS..THydrogen-bonded Turntrans-97.713.6172.6-59.20000113.6S736 R737 V738 T742 M792 L805 I809S736-V740 WeakPolarHBondContact O-CG2 3.39Å; S736-V740 PolarHBondContact O-N 3.03Å; S736-V740 VanDerWaalsContact O-N 3.08Å; R737-V740 CarbonylContact O-C 3.51Å; R737-V740 WeakPolarHBondContact O-CG2 3.35Å; R737-V740 PolarHBondContact O-N 3Å; V738-V740 VanDerWaalsContact C-N 3.27Å; V738-V740 PolarHBondContact O-N 3.45Å; V740-T742 PolarHBondContact O-N 3.38Å; V740-T742 VanDerWaalsContact O-N 3.11Å; V740-T742 PolarHBondContact O-OG1 2.91Å; V740-M792 HydrophobicContact CG1-CE 3.41Å; V740-M792 VanDerWaalsContact CG1-CE 3.41Å; V740-M792 HydrophobicContact CG1-SD 4.11Å; V740-L805 HydrophobicContact CG1-CD2 3.7Å; V740-I809 HydrophobicContact CB-CD1 3.64Å; V740-I809 HydrophobicContact CB-CG1 4.25Å; V740-I809 HydrophobicContact CG1-CD1 3.77Å
741N80.5Confident89.2Confident97 Ų9756.6 Ų56.652%0.51930%0.295SS..THydrogen-bonded Turntrans49.339.4178.6-156.922.2000113.9R737 V738 R817R737-N741 PolarHBondContact O-N 3.1Å; V738-N741 PolarHBondContact O-N 3.04Å; N741-R817 VanDerWaalsContact ND2-CZ 3.32Å; N741-R817 PolarHBondContact ND2-NE 3.34Å
742T84.2Confident89.3Confident15 Ų1550.9 Ų50.99%0.09227%0.27CS..  trans-107.6123.7-178.7-670000110.6R737 V740 K746 I748 L808R737-T742 PolarHBondContact O-N 2.86Å; V740-T742 PolarHBondContact O-N 3.38Å; V740-T742 VanDerWaalsContact O-N 3.11Å; V740-T742 PolarHBondContact O-OG1 2.91Å; T742-K746 HydrophobicContact CG2-CB 4.15Å; T742-K746 HydrophobicContact CG2-CD 3.99Å; T742-I748 HydrophobicContact CG2-CG2 4.2Å; T742-L808 HydrophobicContact CG2-CD2 3.71Å
743P87Confident89.4Confident78 Ų7852.1 Ų52.151%0.50627%0.274SS..  trans-67.4148.3179.527.7-34.4000111.8R737 S745 K746R737-P743 PolarHBondContact NH1-O 3.21Å; P743-S745 PolarHBondContact O-N 3.03Å; P743-K746 HydrophobicContact CG-CB 4.3Å; P743-K746 PolarHBondContact O-N 3.45Å; P743-K746 VanDerWaalsContact O-N 3.14Å
744L87.3Confident89.4Confident78 Ų7852.2 Ų52.241%0.40828%0.275SS..THydrogen-bonded Turntrans-60.7-25.6179.2-74.3165.6000113.7R734 R737 K746 N775R734-L744 HydrophobicContact CG-CD1 4.28Å; R734-L744 HydrophobicContact CG-CD2 3.73Å; R737-L744 VanDerWaalsContact CD-CD2 3.46Å; L744-K746 VanDerWaalsContact C-N 3.29Å; L744-K746 PolarHBondContact O-N 3.28Å; L744-N775 WeakPolarHBondContact O-CB 3.42Å; L744-N775 PolarHBondContact O-ND2 2.7Å
745S89.8Confident89.3Confident101 Ų10155.4 Ų55.471%0.70629%0.291SS*.THydrogen-bonded Turntrans-72.5-16.5178.258.20000114.3P743 N775P743-S745 PolarHBondContact O-N 3.03Å; S745-N775 VanDerWaalsContact C-ND2 3.31Å; S745-N775 PolarHBondContact O-ND2 3.32Å
746K88.8Confident89.4Confident87 Ų8753.5 Ų53.538%0.37828%0.284SS..SBendtrans-79.6131.2176.4-174.1179.4176.6-173.40109.8R737 T742 P743 L744 I748 L808R737-K746 VanDerWaalsContact CZ-O 3.31Å; R737-K746 PolarHBondContact NH1-O 2.71Å; R737-K746 PolarHBondContact NH2-O 2.84Å; T742-K746 HydrophobicContact CG2-CB 4.15Å; T742-K746 HydrophobicContact CG2-CD 3.99Å; P743-K746 HydrophobicContact CG-CB 4.3Å; P743-K746 PolarHBondContact O-N 3.45Å; P743-K746 VanDerWaalsContact O-N 3.14Å; L744-K746 VanDerWaalsContact C-N 3.29Å; L744-K746 PolarHBondContact O-N 3.28Å; K746-I748 HydrophobicContact CG-CG2 4.26Å; K746-L808 PolarHBondContact NZ-O 2.95Å
747E91.8Very high89.7Confident128 Ų12859.2 Ų59.260%0.59831%0.309SS*.  trans-73.5133.2172.5-68.7179-178.100111.1N775E747-N775 WeakPolarHBondContact CA-O 3.49Å
748I89.9Confident89.8Confident2 Ų265.9 Ų65.91%0.0134%0.34CS..EExtended strand (participates in β ladder)trans-142.2149.4-176.675.3-172.3000111.9R737 T742 K746 I750 N775 P776 S777 L803 L808R737-I748 HydrophobicContact CG-CD1 3.77Å; R737-I748 VanDerWaalsContact NH2-CG1 3.33Å; T742-I748 HydrophobicContact CG2-CG2 4.2Å; K746-I748 HydrophobicContact CG-CG2 4.26Å; I748-I750 HydrophobicContact CG1-CD1 4.43Å; I748-I750 HydrophobicContact CG1-CG1 4.07Å; I748-N775 PolarHBondContact N-O 3.41Å; I748-P776 CarbonylContact O-C 3.56Å; I748-P776 WeakPolarHBondContact O-CA 3.32Å; I748-S777 PolarHBondContact O-N 3.3Å; I748-S777 PolarHBondContact O-OG 3.34Å; I748-L803 HydrophobicContact CD1-CD2 3.27Å; I748-L803 HydrophobicContact CG1-CD2 3.86Å; I748-L808 HydrophobicContact CB-CD1 3.74Å; I748-L808 HydrophobicContact CB-CD2 4.02Å; I748-L808 HydrophobicContact CB-CG 3.85Å; I748-L808 HydrophobicContact CD1-CD1 4.12Å; I748-L808 HydrophobicContact CD1-CD2 4.33Å; I748-L808 HydrophobicContact CG1-CD1 4.28Å; I748-L808 HydrophobicContact CG2-CD1 4.11Å; I748-L808 HydrophobicContact CG2-CD2 3.38Å; I748-L808 HydrophobicContact CG2-CG 3.7Å
749P92.3Very high90.1Very high32 Ų3261.8 Ų61.821%0.20831%0.314CS..EExtended strand (participates in β ladder)trans-67.5137.4175.125.8-32.3000110.4S777 T778 P804P749-S777 WeakPolarHBondContact CD-OG 3.41Å; P749-T778 WeakPolarHBondContact CB-OG1 3.39Å; P749-P804 HydrophobicContact CB-CG 4.23Å; P749-P804 HydrophobicContact CG-CB 4.2Å; P749-P804 HydrophobicContact CG-CG 4.13Å; P749-P804 WeakPolarHBondContact O-CD 3.08Å
750I94.5Very high90.7Very high2 Ų258.2 Ų58.21%0.0130%0.298CS..EExtended strand (participates in β ladder)trans-131.5127.5176.9-55.4-175.4000108.3V733 I748 I752 C774 P776 T778 L779 N780 V801 L803V733-I750 HydrophobicContact CG1-CD1 3.87Å; V733-I750 HydrophobicContact CG2-CD1 4.17Å; V733-I750 HydrophobicContact CG2-CG2 4.4Å; I748-I750 HydrophobicContact CG1-CD1 4.43Å; I748-I750 HydrophobicContact CG1-CG1 4.07Å; I750-I752 HydrophobicContact CG2-CG1 4.24Å; I750-C774 HydrophobicContact CD1-CB 3.6Å; I750-P776 HydrophobicContact CB-CB 4.32Å; I750-P776 HydrophobicContact CD1-CB 3.93Å; I750-P776 HydrophobicContact CG1-CB 3.99Å; I750-T778 PolarHBondContact N-O 3.13Å; I750-L779 HydrophobicContact CB-CD1 4.06Å; I750-L779 HydrophobicContact CG2-CD1 4.03Å; I750-L779 WeakPolarHBondContact O-CA 3.42Å; I750-N780 PolarHBondContact O-N 3.3Å; I750-V801 HydrophobicContact CG2-CG1 4.41Å; I750-L803 HydrophobicContact CG1-CD2 3.92Å
751L95.1Very high91.4Very high23 Ų2360.7 Ų60.712%0.1231%0.313CS..EExtended strand (participates in β ladder)trans-114.1137.4172.1-40.1164.5000108.6N780 V785 P788 V802 P804L751-N780 CarbonylContact C-O 3.57Å; L751-N780 WeakPolarHBondContact CA-O 3.38Å; L751-N780 HydrophobicContact CD2-CB 3.63Å; L751-V785 HydrophobicContact CB-CG1 3.64Å; L751-V785 HydrophobicContact CD1-CG1 3.9Å; L751-V785 HydrophobicContact CG-CG1 4.26Å; L751-P788 HydrophobicContact CD1-CG 4.27Å; L751-V802 HydrophobicContact CB-CB 4.12Å; L751-V802 HydrophobicContact CD1-CG1 4.16Å; L751-V802 PolarHBondContact N-O 3Å; L751-V802 PolarHBondContact O-N 3.18Å; L751-P804 HydrophobicContact CD1-CG 4.05Å; L751-P804 HydrophobicContact CG-CG 4.3Å
752I95.7Very high92Very high1 Ų157.1 Ų57.11%0.00530%0.295CS..EExtended strand (participates in β ladder)trans-122.8111.2176.4-58177.3000107.5I729 I750 A754 L763 L770 L779 N780 I781 S782 K800I729-I752 HydrophobicContact CD1-CD1 4.39Å; I729-I752 HydrophobicContact CG2-CD1 3.8Å; I750-I752 HydrophobicContact CG2-CG1 4.24Å; I752-A754 PolarHBondContact O-N 2.91Å; I752-L763 HydrophobicContact CG2-CD1 3.95Å; I752-L770 HydrophobicContact CD1-CD1 3.65Å; I752-L779 HydrophobicContact CD1-CD1 4.04Å; I752-L779 HydrophobicContact CG1-CD1 4.4Å; I752-N780 PolarHBondContact N-O 2.92Å; I752-I781 HydrophobicContact CB-CG1 4.33Å; I752-I781 HydrophobicContact CB-CG2 4.36Å; I752-I781 HydrophobicContact CD1-CG1 4.34Å; I752-I781 HydrophobicContact CG2-CG2 4.48Å; I752-I781 WeakPolarHBondContact O-CA 3.32Å; I752-S782 PolarHBondContact O-N 2.95Å; I752-K800 CarbonylContact C-O 3.59Å; I752-K800 WeakPolarHBondContact CA-O 3.31Å
753Q95.4Very high92.5Very high42 Ų4256.4 Ų56.420%0.19629%0.29CS..EExtended strand (participates in β ladder)trans-81.498.2169.6-171.917732.700108.3S782 T783 V785 G799 K800Q753-S782 CarbonylContact C-O 3.51Å; Q753-S782 VanDerWaalsContact CA-O 3.23Å; Q753-S782 WeakPolarHBondContact CA-O 3.43Å; Q753-T783 WeakPolarHBondContact CG-O 3.39Å; Q753-T783 PolarHBondContact NE2-O 2.97Å; Q753-V785 HydrophobicContact CB-CB 4.22Å; Q753-V785 HydrophobicContact CB-CG2 4.14Å; Q753-G799 CarbonylContact O-C 3.6Å; Q753-G799 VanDerWaalsContact O-CA 3.31Å; Q753-G799 WeakPolarHBondContact O-CA 3.39Å; Q753-K800 HydrophobicContact CB-CB 4.22Å; Q753-K800 PolarHBondContact N-O 2.97Å; Q753-K800 PolarHBondContact O-N 2.68Å
754A94.2Very high92.9Very high3 Ų355 Ų553%0.02528%0.282CS..EExtended strand (participates in β ladder)trans-65.6142.9176.900000110.6I752 D756 I759 E760 S782 T783I752-A754 PolarHBondContact O-N 2.91Å; A754-D756 VanDerWaalsContact C-N 3.31Å; A754-D756 PolarHBondContact O-N 3.32Å; A754-I759 HydrophobicContact CB-CG2 4.12Å; A754-E760 HydrophobicContact CB-CB 3.75Å; A754-E760 HydrophobicContact CB-CG 4.43Å; A754-S782 PolarHBondContact N-O 3.19Å; A754-T783 HydrophobicContact CB-CG2 4.38Å; A754-T783 WeakPolarHBondContact O-CA 3.4Å
755K90.5Very high93.1Very high154 Ų15458 Ų5867%0.6729%0.294SS*.SBendtrans-63.5-37-179.4-175.4-175.7178.9-174.80112.9I759 A798K755-I759 HydrophobicContact CB-CD1 3.82Å; K755-I759 HydrophobicContact CD-CD1 4.24Å; K755-A798 PolarHBondContact N-O 3.35Å
756D93Very high93.3Very high62 Ų6254.6 Ų54.633%0.33227%0.268SS..SBendtrans-153.1176.3179.155.851.8000110.8A754 E758 I759 E760 T783A754-D756 VanDerWaalsContact C-N 3.31Å; A754-D756 PolarHBondContact O-N 3.32Å; D756-E758 VanDerWaalsContact C-N 3.28Å; D756-E758 PolarHBondContact O-N 3.01Å; D756-E758 WeakPolarHBondContact OD1-CB 3.32Å; D756-E758 PolarHBondContact OD1-N 2.87Å; D756-E758 VanDerWaalsContact OD1-N 3.16Å; D756-I759 PolarHBondContact O-N 3.18Å; D756-I759 PolarHBondContact OD1-N 2.89Å; D756-E760 PolarHBondContact O-N 3.04Å; D756-T783 WeakPolarHBondContact O-CG2 3.39Å
757K94.2Very high93.5Very high120 Ų12055.4 Ų55.452%0.52227%0.272SS..Hα-helixtrans-70.2-26.6-174.8-160.372.4-161.6171.60113.1E760 T761K757-E760 IonicContact NZ-OE1 2.81Å; K757-E760 PolarHBondContact NZ-OE1 3.48Å; K757-E760 IonicContact NZ-OE2 3.58Å; K757-E760 PolarHBondContact NZ-OE2 3.04Å; K757-T761 WeakPolarHBondContact O-CB 3.41Å; K757-T761 PolarHBondContact O-N 3.21Å; K757-T761 VanDerWaalsContact O-N 3.08Å; K757-T761 PolarHBondContact O-OG1 3.48Å
758E92.7Very high93.5Very high143 Ų14353.6 Ų53.667%0.66827%0.266SS*.Hα-helixtrans-67.5-52.1176.5-174.2177.9169.400109.2D756 E760 T761 T762D756-E758 VanDerWaalsContact C-N 3.28Å; D756-E758 PolarHBondContact O-N 3.01Å; D756-E758 WeakPolarHBondContact OD1-CB 3.32Å; D756-E758 PolarHBondContact OD1-N 2.87Å; D756-E758 VanDerWaalsContact OD1-N 3.16Å; E758-E760 VanDerWaalsContact C-N 3.33Å; E758-E760 PolarHBondContact O-N 2.62Å; E758-T761 WeakPolarHBondContact O-CB 3.43Å; E758-T761 PolarHBondContact O-N 3.11Å; E758-T761 VanDerWaalsContact O-N 3.09Å; E758-T762 PolarHBondContact O-N 3.18Å; E758-T762 PolarHBondContact O-OG1 2.93Å; E758-T762 VanDerWaalsContact O-OG1 3.1Å
759I91.6Very high93.7Very high18 Ų1854.5 Ų54.59%0.09227%0.27CS..Hα-helixtrans-60.3-41.1175.3-70.2166000111.5A754 K755 D756 T761 T762 L763 A798A754-I759 HydrophobicContact CB-CG2 4.12Å; K755-I759 HydrophobicContact CB-CD1 3.82Å; K755-I759 HydrophobicContact CD-CD1 4.24Å; D756-I759 PolarHBondContact O-N 3.18Å; D756-I759 PolarHBondContact OD1-N 2.89Å; I759-T761 VanDerWaalsContact C-N 3.28Å; I759-T761 PolarHBondContact O-N 2.83Å; I759-T762 PolarHBondContact O-N 3Å; I759-L763 HydrophobicContact CG2-CD1 3.69Å; I759-L763 HydrophobicContact CG2-CG 3.94Å; I759-L763 WeakPolarHBondContact O-CB 3.29Å; I759-L763 VanDerWaalsContact O-CG 3.27Å; I759-L763 WeakPolarHBondContact O-CG 3.22Å; I759-L763 PolarHBondContact O-N 3.14Å; I759-A798 HydrophobicContact CG2-CB 3.93Å; I759-A798 WeakPolarHBondContact CG2-O 3.48Å
760E95.5Very high93.8Very high26 Ų2653.1 Ų53.112%0.12126%0.26CS..Hα-helixtrans-56.3-45175.3-172.3-169.9135.700111.5A754 D756 K757 E758 S764 I781 T783A754-E760 HydrophobicContact CB-CB 3.75Å; A754-E760 HydrophobicContact CB-CG 4.43Å; D756-E760 PolarHBondContact O-N 3.04Å; K757-E760 IonicContact NZ-OE1 2.81Å; K757-E760 PolarHBondContact NZ-OE1 3.48Å; K757-E760 IonicContact NZ-OE2 3.58Å; K757-E760 PolarHBondContact NZ-OE2 3.04Å; E758-E760 VanDerWaalsContact C-N 3.33Å; E758-E760 PolarHBondContact O-N 2.62Å; E760-S764 WeakPolarHBondContact O-CB 3.33Å; E760-S764 PolarHBondContact O-N 3.34Å; E760-S764 PolarHBondContact O-OG 3.06Å; E760-I781 HydrophobicContact CG-CG2 4.23Å; E760-T783 HydrophobicContact CB-CG2 4.42Å; E760-T783 PolarHBondContact OE2-N 3.21Å
761T94.8Very high93.8Very high63 Ų6356.5 Ų56.539%0.38728%0.278SS..Hα-helixtrans-65.2-48.4179.7-56.80000110.5K757 E758 I759 L763 S764 Q765K757-T761 WeakPolarHBondContact O-CB 3.41Å; K757-T761 PolarHBondContact O-N 3.21Å; K757-T761 VanDerWaalsContact O-N 3.08Å; K757-T761 PolarHBondContact O-OG1 3.48Å; E758-T761 WeakPolarHBondContact O-CB 3.43Å; E758-T761 PolarHBondContact O-N 3.11Å; E758-T761 VanDerWaalsContact O-N 3.09Å; I759-T761 VanDerWaalsContact C-N 3.28Å; I759-T761 PolarHBondContact O-N 2.83Å; T761-L763 PolarHBondContact O-N 2.96Å; T761-S764 PolarHBondContact O-N 3.32Å; T761-Q765 WeakPolarHBondContact O-CG 3.18Å; T761-Q765 PolarHBondContact O-N 2.88Å
762T93.1Very high93.6Very high22 Ų2260.6 Ų60.614%0.13529%0.294CS..Hα-helixtrans-60.4-47-179.8-61.40000112.1T722 E758 I759 Q765 N766T722-T762 HydrophobicContact CG2-CG2 3.29Å; E758-T762 PolarHBondContact O-N 3.18Å; E758-T762 PolarHBondContact O-OG1 2.93Å; E758-T762 VanDerWaalsContact O-OG1 3.1Å; I759-T762 PolarHBondContact O-N 3Å; T762-Q765 PolarHBondContact O-N 2.92Å; T762-N766 PolarHBondContact O-N 3.5Å; T762-N766 PolarHBondContact O-ND2 3.19Å
763L94.9Very high93.4Very high0 Ų061.4 Ų61.40%030%0.298CS..Hα-helixtrans-66.7-38.2177.1-66.8179.5000111.9L726 I729 I752 I759 T761 N766 K767 I781 A798L726-L763 HydrophobicContact CD2-CD2 3.66Å; L726-L763 HydrophobicContact CG-CD2 4.34Å; I729-L763 HydrophobicContact CD1-CD1 3.82Å; I729-L763 HydrophobicContact CD1-CD2 3.6Å; I729-L763 HydrophobicContact CD1-CG 4.39Å; I752-L763 HydrophobicContact CG2-CD1 3.95Å; I759-L763 HydrophobicContact CG2-CD1 3.69Å; I759-L763 HydrophobicContact CG2-CG 3.94Å; I759-L763 WeakPolarHBondContact O-CB 3.29Å; I759-L763 VanDerWaalsContact O-CG 3.27Å; I759-L763 WeakPolarHBondContact O-CG 3.22Å; I759-L763 PolarHBondContact O-N 3.14Å; T761-L763 PolarHBondContact O-N 2.96Å; L763-N766 CarbonylContact O-C 3.5Å; L763-N766 PolarHBondContact O-N 3.1Å; L763-K767 WeakPolarHBondContact O-CA 3.47Å; L763-K767 PolarHBondContact O-N 3.38Å; L763-I781 HydrophobicContact CB-CD1 4.09Å; L763-I781 HydrophobicContact CB-CG2 3.98Å; L763-I781 HydrophobicContact CD1-CG2 4.19Å; L763-A798 HydrophobicContact CD1-CB 4.28Å
764S95.1Very high93.4Very high48 Ų4859.5 Ų59.534%0.33629%0.29SS..Hα-helixtrans-66.5-38.3178.3-64.30000112.6E760 T761 N766 K767E760-S764 WeakPolarHBondContact O-CB 3.33Å; E760-S764 PolarHBondContact O-N 3.34Å; E760-S764 PolarHBondContact O-OG 3.06Å; T761-S764 PolarHBondContact O-N 3.32Å; S764-N766 VanDerWaalsContact C-N 3.26Å; S764-N766 PolarHBondContact O-N 2.84Å; S764-K767 WeakPolarHBondContact O-CG 3.41Å
765Q93.1Very high93.3Very high142 Ų14261.6 Ų61.666%0.66430%0.3SS*.Hα-helixtrans-65.8-29.4174.4-74.3174.2-6.900112.5T761 T762T761-Q765 WeakPolarHBondContact O-CG 3.18Å; T761-Q765 PolarHBondContact O-N 2.88Å; T762-Q765 PolarHBondContact O-N 2.92Å
766N93.6Very high93.5Very high29 Ų2955 Ų5516%0.15527%0.273CS..THydrogen-bonded Turntrans-109.721.8-176.6-65.8-76.1000113L602 L726 T762 L763 S764 D768 Y769L602-N766 HydrophobicContact CD2-CB 4.21Å; L602-N766 WeakPolarHBondContact CD2-OD1 3.46Å; L726-N766 HydrophobicContact CD1-CB 3.84Å; L726-N766 HydrophobicContact CD2-CB 4.42Å; T762-N766 PolarHBondContact O-N 3.5Å; T762-N766 PolarHBondContact O-ND2 3.19Å; L763-N766 CarbonylContact O-C 3.5Å; L763-N766 PolarHBondContact O-N 3.1Å; S764-N766 VanDerWaalsContact C-N 3.26Å; S764-N766 PolarHBondContact O-N 2.84Å; N766-D768 PolarHBondContact O-N 3.08Å; N766-D768 VanDerWaalsContact O-N 3.12Å; N766-Y769 HydrophobicContact CB-CD2 4.02Å; N766-Y769 HydrophobicContact CB-CE2 4.3Å; N766-Y769 WeakPolarHBondContact O-CD2 3.41Å; N766-Y769 PolarHBondContact O-N 3.3Å
767K93.4Very high93.5Very high103 Ų10354.9 Ų54.945%0.44828%0.277SS..Hα-helixtrans-62.4-22.4-174.670.2-178.1-179.6-178.60113.9L763 S764 Y769 L770 I771 L779 I781L763-K767 WeakPolarHBondContact O-CA 3.47Å; L763-K767 PolarHBondContact O-N 3.38Å; S764-K767 WeakPolarHBondContact O-CG 3.41Å; K767-Y769 PolarHBondContact O-N 3.4Å; K767-L770 WeakPolarHBondContact O-CA 3.35Å; K767-L770 WeakPolarHBondContact O-CB 3.29Å; K767-L770 PolarHBondContact O-N 3.38Å; K767-I771 HydrophobicContact CG-CD1 4.27Å; K767-I771 WeakPolarHBondContact O-CG1 3.41Å; K767-I771 PolarHBondContact O-N 3.28Å; K767-L779 HydrophobicContact CB-CD2 4.17Å; K767-I781 HydrophobicContact CB-CD1 4.46Å
768D91.4Very high93.4Very high90 Ų9053.3 Ų53.348%0.48128%0.278SS..Hα-helixtrans-63.1-32.5-177.8-64.8-20.9000111.8N766 I771 K772N766-D768 PolarHBondContact O-N 3.08Å; N766-D768 VanDerWaalsContact O-N 3.12Å; D768-I771 PolarHBondContact O-N 3.11Å; D768-K772 VanDerWaalsContact O-CB 3.29Å; D768-K772 WeakPolarHBondContact O-CB 3.46Å; D768-K772 PolarHBondContact O-N 3.36Å
769Y93.8Very high93.6Very high22 Ų2248.7 Ų48.79%0.08626%0.257CS..Hα-helixtrans-64.8-44.7171.6-60-69.2000111.3L602 A603 M649 I652 L726 N766 K767 I771 K772 F773L602-Y769 HydrophobicContact CB-CE2 4.1Å; L602-Y769 HydrophobicContact CD2-CD2 4.47Å; L602-Y769 HydrophobicContact CD2-CE2 4.03Å; A603-Y769 HydrophobicContact CB-CE1 4.11Å; A603-Y769 PolarHBondContact N-OH 2.83Å; M649-Y769 HydrophobicContact CB-CD1 4.44Å; M649-Y769 HydrophobicContact CB-CE1 4.06Å; M649-Y769 HydrophobicContact CE-CD1 4.48Å; M649-Y769 HydrophobicContact CG-CD1 3.93Å; M649-Y769 HydrophobicContact CG-CE1 3.98Å; M649-Y769 HydrophobicContact SD-CD1 4.48Å; M649-Y769 HydrophobicContact SD-CE1 4.45Å; I652-Y769 HydrophobicContact CD1-CD1 3.63Å; I652-Y769 HydrophobicContact CD1-CE1 3.9Å; I652-Y769 HydrophobicContact CD1-CG 4.49Å; L726-Y769 HydrophobicContact CD1-CD2 3.9Å; L726-Y769 HydrophobicContact CD1-CG 4.5Å; N766-Y769 HydrophobicContact CB-CD2 4.02Å; N766-Y769 HydrophobicContact CB-CE2 4.3Å; N766-Y769 WeakPolarHBondContact O-CD2 3.41Å; N766-Y769 PolarHBondContact O-N 3.3Å; K767-Y769 PolarHBondContact O-N 3.4Å; Y769-I771 VanDerWaalsContact C-N 3.34Å; Y769-I771 PolarHBondContact O-N 2.95Å; Y769-K772 PolarHBondContact O-N 3.46Å; Y769-F773 WeakPolarHBondContact O-CD2 3.47Å; Y769-F773 PolarHBondContact O-N 2.94Å
770L94.8Very high93.7Very high2 Ų251.8 Ų51.81%0.0127%0.274CS..Hα-helixtrans-63.1-42.6177.2-60177.7000110.9L726 I729 I730 I752 K767 C774 L779 I781L726-L770 HydrophobicContact CD2-CD1 4.23Å; L726-L770 HydrophobicContact CD2-CD2 3.87Å; L726-L770 HydrophobicContact CD2-CG 3.89Å; I729-L770 HydrophobicContact CB-CD2 4.18Å; I729-L770 HydrophobicContact CG2-CD2 3.62Å; I730-L770 HydrophobicContact CG1-CD2 3.99Å; I752-L770 HydrophobicContact CD1-CD1 3.65Å; K767-L770 WeakPolarHBondContact O-CA 3.35Å; K767-L770 WeakPolarHBondContact O-CB 3.29Å; K767-L770 PolarHBondContact O-N 3.38Å; L770-C774 WeakPolarHBondContact O-CA 3.44Å; L770-C774 WeakPolarHBondContact O-CB 3.31Å; L770-C774 PolarHBondContact O-N 2.95Å; L770-L779 HydrophobicContact CB-CD2 3.9Å; L770-L779 HydrophobicContact CD1-CD2 4.24Å; L770-I781 HydrophobicContact CD1-CD1 3.98Å
771I93.8Very high93.7Very high74 Ų7451.5 Ų51.538%0.37927%0.273SS..Hα-helixtrans-60.7-49.4176.4-67.2168.3000110.2K767 D768 Y769 F773 N775 P776 L779K767-I771 HydrophobicContact CG-CD1 4.27Å; K767-I771 WeakPolarHBondContact O-CG1 3.41Å; K767-I771 PolarHBondContact O-N 3.28Å; D768-I771 PolarHBondContact O-N 3.11Å; Y769-I771 VanDerWaalsContact C-N 3.34Å; Y769-I771 PolarHBondContact O-N 2.95Å; I771-F773 PolarHBondContact O-N 3.42Å; I771-N775 WeakPolarHBondContact O-CA 3.41Å; I771-N775 PolarHBondContact O-N 3.26Å; I771-P776 HydrophobicContact CG1-CG 4.11Å; I771-P776 WeakPolarHBondContact O-CD 3.39Å; I771-L779 HydrophobicContact CG1-CD2 4.1Å
772K90.3Very high93.8Very high108 Ų10849.7 Ų49.747%0.4726%0.263SS..Hα-helixtrans-61.1-45.6-178177.960.4179.31800113.1I652 D768 Y769I652-K772 HydrophobicContact CD1-CB 4.07Å; I652-K772 HydrophobicContact CD1-CG 4.19Å; I652-K772 HydrophobicContact CG1-CB 4.5Å; I652-K772 HydrophobicContact CG1-CG 4.24Å; D768-K772 VanDerWaalsContact O-CB 3.29Å; D768-K772 WeakPolarHBondContact O-CB 3.46Å; D768-K772 PolarHBondContact O-N 3.36Å; Y769-K772 PolarHBondContact O-N 3.46Å
773F92.7Very high93.8Very high18 Ų1851 Ų518%0.07927%0.271CS..Hα-helixtrans-94.5-22.7-171.1-71.2-70.5000114.6W645 E648 M649 I730 Y769 I771W645-F773 HydrophobicContact CE3-CZ 4.46Å; E648-F773 HydrophobicContact CB-CE1 3.59Å; E648-F773 HydrophobicContact CB-CZ 3.6Å; E648-F773 HydrophobicContact CG-CE1 4.41Å; M649-F773 HydrophobicContact CE-CE2 4.01Å; M649-F773 HydrophobicContact CG-CE2 3.6Å; M649-F773 HydrophobicContact CG-CZ 3.77Å; I730-F773 HydrophobicContact CB-CB 4.49Å; I730-F773 HydrophobicContact CD1-CB 3.83Å; I730-F773 HydrophobicContact CD1-CD2 3.77Å; I730-F773 HydrophobicContact CD1-CG 4.05Å; I730-F773 HydrophobicContact CG1-CB 3.98Å; I730-F773 HydrophobicContact CG2-CB 3.66Å; I730-F773 HydrophobicContact CG2-CG 4.39Å; Y769-F773 WeakPolarHBondContact O-CD2 3.47Å; Y769-F773 PolarHBondContact O-N 2.94Å; I771-F773 PolarHBondContact O-N 3.42Å
774C94Very high93.5Very high3 Ų357.7 Ų57.72%0.0231%0.307CS..Hα-helixtrans-106.5-12.3-178.1-58.90000113.5V733 R737 I750 L770V733-C774 HydrophobicContact CB-CB 4.4Å; V733-C774 HydrophobicContact CG1-CB 3.94Å; V733-C774 HydrophobicContact CG2-CB 4.46Å; R737-C774 PolarHBondContact NH2-O 3.02Å; I750-C774 HydrophobicContact CD1-CB 3.6Å; L770-C774 WeakPolarHBondContact O-CA 3.44Å; L770-C774 WeakPolarHBondContact O-CB 3.31Å; L770-C774 PolarHBondContact O-N 2.95Å
775N93Very high93.1Very high46 Ų4655.9 Ų55.925%0.24629%0.294CS..  trans46.260.9179.1-164.435.2000113.5R737 L744 S745 E747 I748 I771R737-N775 PolarHBondContact NH2-O 3.28Å; R737-N775 VanDerWaalsContact NH2-O 3.08Å; L744-N775 WeakPolarHBondContact O-CB 3.42Å; L744-N775 PolarHBondContact O-ND2 2.7Å; S745-N775 VanDerWaalsContact C-ND2 3.31Å; S745-N775 PolarHBondContact O-ND2 3.32Å; E747-N775 WeakPolarHBondContact CA-O 3.49Å; I748-N775 PolarHBondContact N-O 3.41Å; I771-N775 WeakPolarHBondContact O-CA 3.41Å; I771-N775 PolarHBondContact O-N 3.26Å
776P94.1Very high92.6Very high17 Ų1758.1 Ų58.111%0.1131%0.305CS..EExtended strand (participates in β ladder)trans-78.8141.7-178.731.2-32000112.1I748 I750 I771 L779I748-P776 CarbonylContact O-C 3.56Å; I748-P776 WeakPolarHBondContact O-CA 3.32Å; I750-P776 HydrophobicContact CB-CB 4.32Å; I750-P776 HydrophobicContact CD1-CB 3.93Å; I750-P776 HydrophobicContact CG1-CB 3.99Å; I771-P776 HydrophobicContact CG1-CG 4.11Å; I771-P776 WeakPolarHBondContact O-CD 3.39Å; P776-L779 HydrophobicContact CB-CB 4.17Å; P776-L779 HydrophobicContact CG-CB 4.02Å
777S93.2Very high92.2Very high59 Ų5960.2 Ų60.241%0.41332%0.315SS..EExtended strand (participates in β ladder)trans-73.1-36.6164.862.10000111.2I748 P749I748-S777 PolarHBondContact O-N 3.3Å; I748-S777 PolarHBondContact O-OG 3.34Å; P749-S777 WeakPolarHBondContact CD-OG 3.41Å
778T92.9Very high91.7Very high86 Ų8657.3 Ų57.353%0.52831%0.307SS..EExtended strand (participates in β ladder)trans-142.8137.1172450000108.5P749 I750P749-T778 WeakPolarHBondContact CB-OG1 3.39Å; I750-T778 PolarHBondContact N-O 3.13Å
779L95.4Very high91Very high47 Ų4762.7 Ų62.725%0.24633%0.329CS..EExtended strand (participates in β ladder)trans-121.8111.3177.2-178.961.5000108.8I750 I752 K767 L770 I771 P776 I781I750-L779 HydrophobicContact CB-CD1 4.06Å; I750-L779 HydrophobicContact CG2-CD1 4.03Å; I750-L779 WeakPolarHBondContact O-CA 3.42Å; I752-L779 HydrophobicContact CD1-CD1 4.04Å; I752-L779 HydrophobicContact CG1-CD1 4.4Å; K767-L779 HydrophobicContact CB-CD2 4.17Å; L770-L779 HydrophobicContact CB-CD2 3.9Å; L770-L779 HydrophobicContact CD1-CD2 4.24Å; I771-L779 HydrophobicContact CG1-CD2 4.1Å; P776-L779 HydrophobicContact CB-CB 4.17Å; P776-L779 HydrophobicContact CG-CB 4.02Å; L779-I781 HydrophobicContact CD1-CG1 4.28Å; L779-I781 HydrophobicContact CD2-CD1 4.18Å; L779-I781 HydrophobicContact CG-CD1 4.24Å; L779-I781 HydrophobicContact CG-CG1 4.08Å
780N94.9Very high90.4Very high83 Ų8365.3 Ų65.344%0.44434%0.341SS..EExtended strand (participates in β ladder)trans-110.9121.3175.2-170.7-8.3000109.5I750 L751 I752I750-N780 PolarHBondContact O-N 3.3Å; L751-N780 CarbonylContact C-O 3.57Å; L751-N780 WeakPolarHBondContact CA-O 3.38Å; L751-N780 HydrophobicContact CD2-CB 3.63Å; I752-N780 PolarHBondContact N-O 2.92Å
781I96.2Very high89.9Confident19 Ų1966.3 Ų66.310%0.09735%0.349CS..EExtended strand (participates in β ladder)trans-119.3115.6178.6-50178.9000106.7I752 E760 L763 K767 L770 L779I752-I781 HydrophobicContact CB-CG1 4.33Å; I752-I781 HydrophobicContact CB-CG2 4.36Å; I752-I781 HydrophobicContact CD1-CG1 4.34Å; I752-I781 HydrophobicContact CG2-CG2 4.48Å; I752-I781 WeakPolarHBondContact O-CA 3.32Å; E760-I781 HydrophobicContact CG-CG2 4.23Å; L763-I781 HydrophobicContact CB-CD1 4.09Å; L763-I781 HydrophobicContact CB-CG2 3.98Å; L763-I781 HydrophobicContact CD1-CG2 4.19Å; K767-I781 HydrophobicContact CB-CD1 4.46Å; L770-I781 HydrophobicContact CD1-CD1 3.98Å; L779-I781 HydrophobicContact CD1-CG1 4.28Å; L779-I781 HydrophobicContact CD2-CD1 4.18Å; L779-I781 HydrophobicContact CG-CD1 4.24Å; L779-I781 HydrophobicContact CG-CG1 4.08Å
782S95.3Very high89.5Confident26 Ų2663.7 Ų63.718%0.18234%0.336CS..EExtended strand (participates in β ladder)trans-153.4154.9178.3-169.30000110.9I752 Q753 A754 D784 V785I752-S782 PolarHBondContact O-N 2.95Å; Q753-S782 CarbonylContact C-O 3.51Å; Q753-S782 VanDerWaalsContact CA-O 3.23Å; Q753-S782 WeakPolarHBondContact CA-O 3.43Å; A754-S782 PolarHBondContact N-O 3.19Å; S782-D784 PolarHBondContact O-N 3.12Å; S782-D784 PolarHBondContact OG-N 3.39Å; S782-D784 PolarHBondContact OG-O 3.41Å; S782-V785 WeakPolarHBondContact O-CG2 3.46Å
783T92.9Very high89.4Confident50 Ų5061.6 Ų61.631%0.30733%0.332SS..SBendtrans-65.6-28.4165.251.90000112.8Q753 A754 D756 E760Q753-T783 WeakPolarHBondContact CG-O 3.39Å; Q753-T783 PolarHBondContact NE2-O 2.97Å; A754-T783 HydrophobicContact CB-CG2 4.38Å; A754-T783 WeakPolarHBondContact O-CA 3.4Å; D756-T783 WeakPolarHBondContact O-CG2 3.39Å; E760-T783 HydrophobicContact CB-CG2 4.42Å; E760-T783 PolarHBondContact OE2-N 3.21Å
784D89.9Confident89.2Confident139 Ų13962.2 Ų62.274%0.74334%0.338SS*.SBendtrans-12194.9-176.2-150.65000109.6S782S782-D784 PolarHBondContact O-N 3.12Å; S782-D784 PolarHBondContact OG-N 3.39Å; S782-D784 PolarHBondContact OG-O 3.41Å
785V85.5Confident88.8Confident11 Ų1167.8 Ų67.87%0.06737%0.372CS..  trans-114.4124.1-176.4176.40000108.4L751 Q753 S782 I787L751-V785 HydrophobicContact CB-CG1 3.64Å; L751-V785 HydrophobicContact CD1-CG1 3.9Å; L751-V785 HydrophobicContact CG-CG1 4.26Å; Q753-V785 HydrophobicContact CB-CB 4.22Å; Q753-V785 HydrophobicContact CB-CG2 4.14Å; S782-V785 WeakPolarHBondContact O-CG2 3.46Å; V785-I787 PolarHBondContact O-N 3.31Å
786E83.6Confident88.6Confident189 Ų18966.2 Ų66.288%0.88336%0.364SS*.  trans-69.3109.9167.6-108.6-178.1167.800109.4P788E786-P788 WeakPolarHBondContact O-CD 3.27Å
787I84.8Confident88.1Confident72 Ų7270.7 Ų70.737%0.36939%0.386SS..  trans-82.1119.6178-58.8-177.8000108.1V785 A791 V802V785-I787 PolarHBondContact O-N 3.31Å; I787-A791 HydrophobicContact CG2-CB 4.28Å; I787-V802 HydrophobicContact CD1-CG2 4.06Å; I787-V802 HydrophobicContact CG1-CG2 4.13Å; I787-V802 HydrophobicContact CG2-CG1 3.93Å
788P82.9Confident87.8Confident43 Ų4367.9 Ų67.928%0.27937%0.367SS..  trans-61.5149.9176.3-20.332.3000111.7L751 E786 K790 P804L751-P788 HydrophobicContact CD1-CG 4.27Å; E786-P788 WeakPolarHBondContact O-CD 3.27Å; P788-K790 PolarHBondContact O-N 3.07Å; P788-P804 HydrophobicContact CG-CB 4.12Å; P788-P804 HydrophobicContact CG-CG 4.06Å
789E76.1Confident87.7Confident202 Ų20264.4 Ų64.494%0.94435%0.347SS*.SBendtrans-54.2-39.9177-86.9-170.7156.500112.2
790K81.4Confident87.5Confident77 Ų7766.1 Ų66.134%0.33535%0.353SS..SBendtrans-102.780.8178.6-66.7-176.1178.3179.60110.7P788 L805 M811P788-K790 PolarHBondContact O-N 3.07Å; K790-L805 WeakPolarHBondContact O-CB 3.48Å; K790-L805 PolarHBondContact O-N 3.22Å; K790-M811 HydrophobicContact CD-SD 4.21Å
791A85.1Confident87.5Confident24 Ų2462.2 Ų62.220%0.19833%0.332CS..EExtended strand (participates in β ladder)trans-138.2147.2176.100000112.2I787 V802 L803I787-A791 HydrophobicContact CG2-CB 4.28Å; A791-V802 HydrophobicContact CB-CG1 3.62Å; A791-L803 CarbonylContact C-O 3.52Å; A791-L803 WeakPolarHBondContact CA-O 3.38Å
792M85Confident87.3Confident19 Ų1961.3 Ų61.39%0.09433%0.327CS..EExtended strand (participates in β ladder)trans-88126.8165.3-175.3177.9-81.900108.4S736 E739 V740 V802 L803 L805S736-M792 VanDerWaalsContact CA-SD 3.6Å; S736-M792 WeakPolarHBondContact CB-SD 3.35Å; E739-M792 HydrophobicContact CB-CE 3.82Å; E739-M792 HydrophobicContact CB-SD 4.31Å; V740-M792 HydrophobicContact CG1-CE 3.41Å; V740-M792 VanDerWaalsContact CG1-CE 3.41Å; V740-M792 HydrophobicContact CG1-SD 4.11Å; M792-V802 WeakPolarHBondContact O-CA 3.37Å; M792-L803 HydrophobicContact CB-CB 4.4Å; M792-L803 PolarHBondContact N-O 3.03Å; M792-L803 PolarHBondContact O-N 2.85Å; M792-L805 HydrophobicContact CB-CD2 4.19Å
793T87.9Confident87.1Confident64 Ų6460.3 Ų60.339%0.39332%0.32SS..EExtended strand (participates in β ladder)trans-119.8130-178.5-58.20000110.1K800 V801 V802T793-K800 HydrophobicContact CG2-CB 4.14Å; T793-K800 HydrophobicContact CG2-CD 4.16Å; T793-V801 CarbonylContact C-O 3.42Å; T793-V801 WeakPolarHBondContact CA-O 3.45Å; T793-V802 HydrophobicContact CG2-CG2 3.98Å
794S88.8Confident86.9Confident30 Ų3058.7 Ų58.721%0.2131%0.31CS..EExtended strand (participates in β ladder)trans-118.1140.7173.9-70.30000110.2S732 S736 K800 V801S732-S794 WeakPolarHBondContact OG-CB 3.39Å; S732-S794 PolarHBondContact OG-OG 3.02Å; S736-S794 PolarHBondContact OG-OG 2.88Å; S794-K800 CarbonylContact O-C 3.51Å; S794-K800 VanDerWaalsContact O-CA 3.31Å; S794-K800 WeakPolarHBondContact O-CA 3.19Å; S794-V801 PolarHBondContact N-O 3.36Å; S794-V801 PolarHBondContact O-N 3.42Å
795V86.6Confident86.5Confident121 Ų12153.1 Ų53.173%0.73328%0.28SS*.EExtended strand (participates in β ladder)trans-94135.1175.8-177.90000109.1
796V88.2Confident85.6Confident12 Ų1259.4 Ų59.47%0.07331%0.309CS..EExtended strand (participates in β ladder)trans-136.5166.6178-63.90000109.7E728 I729 A798 G799 V801E728-V796 HydrophobicContact CG-CB 4.03Å; E728-V796 HydrophobicContact CG-CG1 3.91Å; E728-V796 WeakPolarHBondContact OE1-CA 3.38Å; I729-V796 HydrophobicContact CG1-CG2 3.99Å; V796-A798 HydrophobicContact CG2-CB 4.27Å; V796-A798 PolarHBondContact O-N 2.84Å; V796-G799 PolarHBondContact N-O 3.29Å; V796-G799 PolarHBondContact O-N 3.29Å; V796-V801 HydrophobicContact CG1-CG2 4.2Å; V796-V801 HydrophobicContact CG2-CG2 4.06Å
797I82.9Confident84.7Confident112 Ų11254 Ų5457%0.57430%0.304SS*.THydrogen-bonded Turntrans-55.7-39.2179.1-65.7166.4000111.4E728 G799E728-I797 PolarHBondContact OE1-N 2.85Å; E728-I797 WeakPolarHBondContact OE2-CB 3.5Å; E728-I797 WeakPolarHBondContact OE2-CD1 3.37Å; E728-I797 WeakPolarHBondContact OE2-CG1 3.26Å; E728-I797 PolarHBondContact OE2-N 3.09Å; I797-G799 PolarHBondContact O-N 2.81Å
798A87.4Confident83.8Confident0 Ų051 Ų510%029%0.289CS..THydrogen-bonded Turntrans-74.3-7.8-179.300000114.5Q725 I729 K755 I759 L763 V796Q725-A798 HydrophobicContact CB-CB 4.06Å; Q725-A798 HydrophobicContact CG-CB 4.19Å; I729-A798 HydrophobicContact CD1-CB 3.96Å; I729-A798 HydrophobicContact CG1-CB 4.49Å; K755-A798 PolarHBondContact N-O 3.35Å; I759-A798 HydrophobicContact CG2-CB 3.93Å; I759-A798 WeakPolarHBondContact CG2-O 3.48Å; L763-A798 HydrophobicContact CD1-CB 4.28Å; V796-A798 HydrophobicContact CG2-CB 4.27Å; V796-A798 PolarHBondContact O-N 2.84Å
799G90.9Very high82.9Confident12 Ų1249.8 Ų49.812%0.12428%0.28CS..EExtended strand (participates in β ladder)trans135.7-123.7-177.900000112.9Q753 V796 I797Q753-G799 CarbonylContact O-C 3.6Å; Q753-G799 VanDerWaalsContact O-CA 3.31Å; Q753-G799 WeakPolarHBondContact O-CA 3.39Å; V796-G799 PolarHBondContact N-O 3.29Å; V796-G799 PolarHBondContact O-N 3.29Å; I797-G799 PolarHBondContact O-N 2.81Å
800K92.2Very high82.7Confident84 Ų8444.3 Ų44.337%0.36526%0.257SS..EExtended strand (participates in β ladder)trans-131.3137.8178.6-55.6178.1-169.8159.90111.8I752 Q753 T793 S794I752-K800 CarbonylContact C-O 3.59Å; I752-K800 WeakPolarHBondContact CA-O 3.31Å; Q753-K800 HydrophobicContact CB-CB 4.22Å; Q753-K800 PolarHBondContact N-O 2.97Å; Q753-K800 PolarHBondContact O-N 2.68Å; T793-K800 HydrophobicContact CG2-CB 4.14Å; T793-K800 HydrophobicContact CG2-CD 4.16Å; S794-K800 CarbonylContact O-C 3.51Å; S794-K800 VanDerWaalsContact O-CA 3.31Å; S794-K800 WeakPolarHBondContact O-CA 3.19Å
801V93.7Very high82.2Confident0 Ų043.4 Ų43.40%026%0.255CS..EExtended strand (participates in β ladder)trans-100.7127.3171.1-179.20000108.2I729 V733 I750 T793 S794 V796I729-V801 HydrophobicContact CB-CG2 4.26Å; I729-V801 HydrophobicContact CG1-CG2 4.06Å; I729-V801 HydrophobicContact CG2-CG2 3.88Å; V733-V801 HydrophobicContact CG2-CG1 3.59Å; I750-V801 HydrophobicContact CG2-CG1 4.41Å; T793-V801 CarbonylContact C-O 3.42Å; T793-V801 WeakPolarHBondContact CA-O 3.45Å; S794-V801 PolarHBondContact N-O 3.36Å; S794-V801 PolarHBondContact O-N 3.42Å; V796-V801 HydrophobicContact CG1-CG2 4.2Å; V796-V801 HydrophobicContact CG2-CG2 4.06Å
802V92.3Very high81.8Confident0 Ų048.5 Ų48.50%028%0.278CS..EExtended strand (participates in β ladder)trans-125.1126.1-175.5178.60000109.1L751 I787 A791 M792 T793L751-V802 HydrophobicContact CB-CB 4.12Å; L751-V802 HydrophobicContact CD1-CG1 4.16Å; L751-V802 PolarHBondContact N-O 3Å; L751-V802 PolarHBondContact O-N 3.18Å; I787-V802 HydrophobicContact CD1-CG2 4.06Å; I787-V802 HydrophobicContact CG1-CG2 4.13Å; I787-V802 HydrophobicContact CG2-CG1 3.93Å; A791-V802 HydrophobicContact CB-CG1 3.62Å; M792-V802 WeakPolarHBondContact O-CA 3.37Å; T793-V802 HydrophobicContact CG2-CG2 3.98Å
803L91.3Very high81.4Confident6 Ų654.8 Ų54.83%0.03131%0.305CS..EExtended strand (participates in β ladder)trans-116101.8178.5-79152.8000108.7I748 I750 A791 M792 L805I748-L803 HydrophobicContact CD1-CD2 3.27Å; I748-L803 HydrophobicContact CG1-CD2 3.86Å; I750-L803 HydrophobicContact CG1-CD2 3.92Å; A791-L803 CarbonylContact C-O 3.52Å; A791-L803 WeakPolarHBondContact CA-O 3.38Å; M792-L803 HydrophobicContact CB-CB 4.4Å; M792-L803 PolarHBondContact N-O 3.03Å; M792-L803 PolarHBondContact O-N 2.85Å; L803-L805 PolarHBondContact O-N 3.3Å
804P87.8Confident80.9Confident15 Ų1553 Ų5310%0.09729%0.293CS..EExtended strand (participates in β ladder)trans-58.5124.5174.5-22.233.8000110.2P749 L751 P788 E806 L808P749-P804 HydrophobicContact CB-CG 4.23Å; P749-P804 HydrophobicContact CG-CB 4.2Å; P749-P804 HydrophobicContact CG-CG 4.13Å; P749-P804 WeakPolarHBondContact O-CD 3.08Å; L751-P804 HydrophobicContact CD1-CG 4.05Å; L751-P804 HydrophobicContact CG-CG 4.3Å; P788-P804 HydrophobicContact CG-CB 4.12Å; P788-P804 HydrophobicContact CG-CG 4.06Å; P804-E806 VanDerWaalsContact C-N 3.3Å; P804-L808 WeakPolarHBondContact O-CD1 3.39Å
805L81.5Confident80.6Confident23 Ų2352.5 Ų52.512%0.1229%0.287CS..  trans-78.4-21.1-177.7-62.3173.4000112.1V740 K790 M792 L803 G807 L808 I809V740-L805 HydrophobicContact CG1-CD2 3.7Å; K790-L805 WeakPolarHBondContact O-CB 3.48Å; K790-L805 PolarHBondContact O-N 3.22Å; M792-L805 HydrophobicContact CB-CD2 4.19Å; L803-L805 PolarHBondContact O-N 3.3Å; L805-G807 PolarHBondContact O-N 3.03Å; L805-L808 WeakPolarHBondContact O-CB 3.07Å; L805-L808 PolarHBondContact O-N 3.03Å; L805-L808 VanDerWaalsContact O-N 3.11Å; L805-I809 HydrophobicContact CD2-CD1 3.91Å; L805-I809 PolarHBondContact O-N 3.28Å
806E68.6Low80.5Confident142 Ų14249.6 Ų49.666%0.66427%0.272SS*.BIsolated β-bridgetrans-64.2121.4-178.9-121.4165.1-170.300111.6P804 L808P804-E806 VanDerWaalsContact C-N 3.3Å; E806-L808 PolarHBondContact O-N 3.04Å
807G63.8Low80.4Confident75 Ų7553.1 Ų53.177%0.77328%0.284SS*.THydrogen-bonded Turntrans80.3-13.9-17500000115.2L805L805-G807 PolarHBondContact O-N 3.03Å
808L65.1Low80.5Confident11 Ų1148.2 Ų48.26%0.05826%0.259CS..THydrogen-bonded Turntrans-83-38.8179.9-126.3165.6000110.8T742 K746 I748 P804 L805 E806T742-L808 HydrophobicContact CG2-CD2 3.71Å; K746-L808 PolarHBondContact NZ-O 2.95Å; I748-L808 HydrophobicContact CB-CD1 3.74Å; I748-L808 HydrophobicContact CB-CD2 4.02Å; I748-L808 HydrophobicContact CB-CG 3.85Å; I748-L808 HydrophobicContact CD1-CD1 4.12Å; I748-L808 HydrophobicContact CD1-CD2 4.33Å; I748-L808 HydrophobicContact CG1-CD1 4.28Å; I748-L808 HydrophobicContact CG2-CD1 4.11Å; I748-L808 HydrophobicContact CG2-CD2 3.38Å; I748-L808 HydrophobicContact CG2-CG 3.7Å; P804-L808 WeakPolarHBondContact O-CD1 3.39Å; L805-L808 WeakPolarHBondContact O-CB 3.07Å; L805-L808 PolarHBondContact O-N 3.03Å; L805-L808 VanDerWaalsContact O-N 3.11Å; E806-L808 PolarHBondContact O-N 3.04Å
809I65Low80.6Confident17 Ų1752.1 Ų52.19%0.08728%0.277CS..BIsolated β-bridgetrans-125.2124.7178.2-49.8176.7000108.1V740 L805 M811 E814V740-I809 HydrophobicContact CB-CD1 3.64Å; V740-I809 HydrophobicContact CB-CG1 4.25Å; V740-I809 HydrophobicContact CG1-CD1 3.77Å; L805-I809 HydrophobicContact CD2-CD1 3.91Å; L805-I809 PolarHBondContact O-N 3.28Å; I809-M811 VanDerWaalsContact C-N 3.34Å; I809-M811 PolarHBondContact O-N 2.84Å; I809-E814 HydrophobicContact CG2-CB 3.22Å; I809-E814 HydrophobicContact CG2-CG 3.55Å
810D70.5Confident80.6Confident87 Ų8759.1 Ų59.147%0.46530%0.304SS..  trans-71.897.3162.2174.5-19.6000105.8D812 K813 E814D810-D812 PolarHBondContact O-N 3.16Å; D810-D812 PolarHBondContact OD1-N 2.86Å; D810-K813 HydrophobicContact CB-CB 3.9Å; D810-K813 HydrophobicContact CB-CD 4.33Å; D810-K813 HydrophobicContact CB-CG 4.46Å; D810-K813 CarbonylContact O-C 3.17Å; D810-K813 WeakPolarHBondContact O-CB 3.29Å; D810-K813 PolarHBondContact O-N 3.37Å; D810-K813 PolarHBondContact OD1-N 3.38Å; D810-K813 VanDerWaalsContact OD1-N 3.08Å; D810-K813 WeakPolarHBondContact OD2-CD 3.41Å; D810-E814 PolarHBondContact O-N 2.97Å
811M71.4Confident80.5Confident58 Ų5858.8 Ų58.829%0.28630%0.304SS..Hα-helixtrans-57-37.4-169.9-64.8-153.6-45.700111.7K790 I809 E814 I815K790-M811 HydrophobicContact CD-SD 4.21Å; I809-M811 VanDerWaalsContact C-N 3.34Å; I809-M811 PolarHBondContact O-N 2.84Å; M811-E814 PolarHBondContact O-N 3.15Å; M811-I815 VanDerWaalsContact O-CB 3.24Å; M811-I815 WeakPolarHBondContact O-CB 3.17Å; M811-I815 WeakPolarHBondContact O-CD1 3.46Å; M811-I815 WeakPolarHBondContact O-CG1 3.42Å; M811-I815 PolarHBondContact O-N 2.85Å
812D76.2Confident80.4Confident130 Ų13060.2 Ų60.270%0.69531%0.311SS*.Hα-helixtrans-66.9-43.6178-68.9-33.4000110.9D810 S816D810-D812 PolarHBondContact O-N 3.16Å; D810-D812 PolarHBondContact OD1-N 2.86Å; D812-S816 VanDerWaalsContact O-CB 3.23Å; D812-S816 WeakPolarHBondContact O-CB 3.47Å; D812-S816 PolarHBondContact O-N 3.37Å
813K77.6Confident80.4Confident151 Ų15163.2 Ų63.266%0.65734%0.336SS*.Hα-helixtrans-64-39.9173.2-92.9-175.4-179163.20113D810 S816 R817D810-K813 HydrophobicContact CB-CB 3.9Å; D810-K813 HydrophobicContact CB-CD 4.33Å; D810-K813 HydrophobicContact CB-CG 4.46Å; D810-K813 CarbonylContact O-C 3.17Å; D810-K813 WeakPolarHBondContact O-CB 3.29Å; D810-K813 PolarHBondContact O-N 3.37Å; D810-K813 PolarHBondContact OD1-N 3.38Å; D810-K813 VanDerWaalsContact OD1-N 3.08Å; D810-K813 WeakPolarHBondContact OD2-CD 3.41Å; K813-S816 CarbonylContact O-C 3.59Å; K813-S816 PolarHBondContact O-N 3.1Å; K813-R817 WeakPolarHBondContact O-CB 3.19Å; K813-R817 PolarHBondContact O-N 2.62Å
814E77.2Confident80.5Confident28 Ų2869.8 Ų69.813%0.13137%0.365CS..Hα-helixtrans-73.7-40.7-177.4-172.663-169.200111.2I809 D810 M811 S816 R817 L818 L874I809-E814 HydrophobicContact CG2-CB 3.22Å; I809-E814 HydrophobicContact CG2-CG 3.55Å; D810-E814 PolarHBondContact O-N 2.97Å; M811-E814 PolarHBondContact O-N 3.15Å; E814-S816 VanDerWaalsContact C-N 3.27Å; E814-S816 PolarHBondContact O-N 3.17Å; E814-R817 VanDerWaalsContact CD-NE 3.3Å; E814-R817 WeakPolarHBondContact O-CB 3.32Å; E814-R817 PolarHBondContact O-N 2.66Å; E814-R817 IonicContact OE1-CZ 2.66Å; E814-R817 VanDerWaalsContact OE1-CZ 3.23Å; E814-R817 IonicContact OE1-NE 2.74Å; E814-R817 PolarHBondContact OE1-NE 2.85Å; E814-R817 IonicContact OE1-NH2 2.74Å; E814-R817 PolarHBondContact OE1-NH2 3.29Å; E814-R817 IonicContact OE2-CZ 3.75Å; E814-R817 IonicContact OE2-NE 3.58Å; E814-R817 PolarHBondContact OE2-NE 2.91Å; E814-L818 HydrophobicContact CG-CD1 4.13Å; E814-L818 HydrophobicContact CG-CG 4.41Å; E814-L818 WeakPolarHBondContact O-CB 3.29Å; E814-L818 VanDerWaalsContact O-CG 3.26Å; E814-L818 WeakPolarHBondContact O-CG 3.08Å; E814-L818 PolarHBondContact O-N 3.27Å; E814-L874 HydrophobicContact CG-CD1 4.23Å
815I82.6Confident80.7Confident19 Ų1969.9 Ų69.910%0.09736%0.364CS..Hα-helixtrans-55.8-47.1167.1-72.2165.4000109.1M811 R817 L818 E819 L874 K875M811-I815 VanDerWaalsContact O-CB 3.24Å; M811-I815 WeakPolarHBondContact O-CB 3.17Å; M811-I815 WeakPolarHBondContact O-CD1 3.46Å; M811-I815 WeakPolarHBondContact O-CG1 3.42Å; M811-I815 PolarHBondContact O-N 2.85Å; I815-R817 VanDerWaalsContact C-N 3.33Å; I815-R817 PolarHBondContact O-N 2.94Å; I815-L818 PolarHBondContact O-N 3.44Å; I815-E819 HydrophobicContact CG2-CG 4.23Å; I815-E819 VanDerWaalsContact O-CB 3.29Å; I815-E819 WeakPolarHBondContact O-CB 3.5Å; I815-E819 VanDerWaalsContact O-CG 3.23Å; I815-E819 WeakPolarHBondContact O-CG 3.45Å; I815-E819 PolarHBondContact O-N 2.93Å; I815-L874 HydrophobicContact CD1-CB 4.41Å; I815-L874 HydrophobicContact CG1-CB 4.13Å; I815-K875 HydrophobicContact CD1-CG 3.72Å; I815-K875 HydrophobicContact CG1-CG 4.36Å; I815-K875 VanDerWaalsContact CG2-CE 3.41Å
816S84.8Confident81.3Confident59 Ų5972 Ų7241%0.41337%0.374SS..Hα-helixtrans-65.5-33.6179-157.60000113.1D812 K813 E814 K820D812-S816 VanDerWaalsContact O-CB 3.23Å; D812-S816 WeakPolarHBondContact O-CB 3.47Å; D812-S816 PolarHBondContact O-N 3.37Å; K813-S816 CarbonylContact O-C 3.59Å; K813-S816 PolarHBondContact O-N 3.1Å; E814-S816 VanDerWaalsContact C-N 3.27Å; E814-S816 PolarHBondContact O-N 3.17Å; S816-K820 PolarHBondContact O-N 2.82Å; S816-K820 VanDerWaalsContact O-N 3.09Å
817R84.8Confident82.6Confident86 Ų8668.1 Ų68.133%0.32536%0.362SS..Hα-helixtrans-67.6-49.9173.8-172.4-170.477.275.7-0.6110.7N741 K813 E814 I815 E819 K820 E821N741-R817 VanDerWaalsContact ND2-CZ 3.32Å; N741-R817 PolarHBondContact ND2-NE 3.34Å; K813-R817 WeakPolarHBondContact O-CB 3.19Å; K813-R817 PolarHBondContact O-N 2.62Å; E814-R817 VanDerWaalsContact CD-NE 3.3Å; E814-R817 WeakPolarHBondContact O-CB 3.32Å; E814-R817 PolarHBondContact O-N 2.66Å; E814-R817 IonicContact OE1-CZ 2.66Å; E814-R817 VanDerWaalsContact OE1-CZ 3.23Å; E814-R817 IonicContact OE1-NE 2.74Å; E814-R817 PolarHBondContact OE1-NE 2.85Å; E814-R817 IonicContact OE1-NH2 2.74Å; E814-R817 PolarHBondContact OE1-NH2 3.29Å; E814-R817 IonicContact OE2-CZ 3.75Å; E814-R817 IonicContact OE2-NE 3.58Å; E814-R817 PolarHBondContact OE2-NE 2.91Å; I815-R817 VanDerWaalsContact C-N 3.33Å; I815-R817 PolarHBondContact O-N 2.94Å; R817-E819 VanDerWaalsContact C-N 3.32Å; R817-E819 PolarHBondContact O-N 2.85Å; R817-K820 WeakPolarHBondContact O-CB 3.33Å; R817-K820 PolarHBondContact O-N 2.67Å; R817-E821 IonicContact CZ-OE2 3.8Å; R817-E821 IonicContact NH1-OE2 3.05Å; R817-E821 PolarHBondContact NH1-OE2 2.53Å; R817-E821 IonicContact NH2-OE2 3.91Å; R817-E821 PolarHBondContact O-N 2.84Å
818L85.1Confident84Confident9 Ų966.9 Ų66.95%0.04734%0.336CS..Hα-helixtrans-64.6-37.1178.2-68.6170.9000110.7E814 I815 K820 E821 L822 V867 R870 I871 L874E814-L818 HydrophobicContact CG-CD1 4.13Å; E814-L818 HydrophobicContact CG-CG 4.41Å; E814-L818 WeakPolarHBondContact O-CB 3.29Å; E814-L818 VanDerWaalsContact O-CG 3.26Å; E814-L818 WeakPolarHBondContact O-CG 3.08Å; E814-L818 PolarHBondContact O-N 3.27Å; I815-L818 PolarHBondContact O-N 3.44Å; L818-K820 VanDerWaalsContact C-N 3.35Å; L818-K820 PolarHBondContact O-N 2.83Å; L818-E821 PolarHBondContact O-N 2.82Å; L818-L822 WeakPolarHBondContact O-CB 3.38Å; L818-L822 PolarHBondContact O-N 2.96Å; L818-V867 HydrophobicContact CB-CG1 4.13Å; L818-V867 HydrophobicContact CD2-CG1 4.08Å; L818-R870 HydrophobicContact CD1-CG 4.07Å; L818-I871 HydrophobicContact CB-CD1 3.82Å; L818-I871 HydrophobicContact CB-CG1 3.52Å; L818-I871 HydrophobicContact CD1-CG1 4.11Å; L818-I871 HydrophobicContact CG-CG1 4.45Å; L818-L874 HydrophobicContact CD1-CD1 3.53Å
819E90.9Very high85.3Confident82 Ų8266.5 Ų66.538%0.38333%0.334SS..Hα-helixtrans-63.6-38.6173.4-78.3177170.900111.7I815 R817 A823 I871 K875I815-E819 HydrophobicContact CG2-CG 4.23Å; I815-E819 VanDerWaalsContact O-CB 3.29Å; I815-E819 WeakPolarHBondContact O-CB 3.5Å; I815-E819 VanDerWaalsContact O-CG 3.23Å; I815-E819 WeakPolarHBondContact O-CG 3.45Å; I815-E819 PolarHBondContact O-N 2.93Å; R817-E819 VanDerWaalsContact C-N 3.32Å; R817-E819 PolarHBondContact O-N 2.85Å; E819-A823 WeakPolarHBondContact O-CB 3.25Å; E819-A823 PolarHBondContact O-N 2.77Å; E819-I871 HydrophobicContact CG-CD1 4.15Å; E819-K875 IonicContact OE1-NZ 2.67Å; E819-K875 PolarHBondContact OE1-NZ 2.95Å
820K90.6Very high86.7Confident159 Ų15969.9 Ų69.969%0.69135%0.352SS*.Hα-helixtrans-66.1-41171-83-178.7178.9175.80112.5S816 R817 L818 A823 K824S816-K820 PolarHBondContact O-N 2.82Å; S816-K820 VanDerWaalsContact O-N 3.09Å; R817-K820 WeakPolarHBondContact O-CB 3.33Å; R817-K820 PolarHBondContact O-N 2.67Å; L818-K820 VanDerWaalsContact C-N 3.35Å; L818-K820 PolarHBondContact O-N 2.83Å; K820-A823 PolarHBondContact O-N 2.88Å; K820-K824 PolarHBondContact O-N 2.92Å
821E88.9Confident87.8Confident77 Ų7773.4 Ų73.436%0.3636%0.359SS..Hα-helixtrans-65.7-42.5177.5-171.7163.9-173.300111.1R817 L818 A823 K824 L825R817-E821 IonicContact CZ-OE2 3.8Å; R817-E821 IonicContact NH1-OE2 3.05Å; R817-E821 PolarHBondContact NH1-OE2 2.53Å; R817-E821 IonicContact NH2-OE2 3.91Å; R817-E821 PolarHBondContact O-N 2.84Å; L818-E821 PolarHBondContact O-N 2.82Å; E821-A823 PolarHBondContact O-N 2.68Å; E821-K824 WeakPolarHBondContact O-CB 3.46Å; E821-K824 PolarHBondContact O-N 3Å; E821-K824 VanDerWaalsContact O-N 3.15Å; E821-L825 HydrophobicContact CG-CD1 4.32Å; E821-L825 WeakPolarHBondContact O-CG 3.41Å; E821-L825 PolarHBondContact O-N 3.42Å
822L92.1Very high88.8Confident30 Ų3070.9 Ų70.916%0.15735%0.347CS..Hα-helixtrans-59-45.9173.2-161.189.7000110.9L818 K824 L825 Q826 Y864 V867 K868 I871L818-L822 WeakPolarHBondContact O-CB 3.38Å; L818-L822 PolarHBondContact O-N 2.96Å; L822-K824 VanDerWaalsContact C-N 3.31Å; L822-K824 PolarHBondContact O-N 3Å; L822-L825 PolarHBondContact O-N 3.15Å; L822-Q826 WeakPolarHBondContact O-CB 3.39Å; L822-Q826 PolarHBondContact O-N 2.62Å; L822-Y864 HydrophobicContact CD1-CD2 3.94Å; L822-Y864 HydrophobicContact CD1-CE2 3.8Å; L822-Y864 HydrophobicContact CD1-CG 4.36Å; L822-Y864 HydrophobicContact CD2-CE2 4.12Å; L822-Y864 HydrophobicContact CG-CD2 4.03Å; L822-Y864 HydrophobicContact CG-CE2 3.53Å; L822-V867 HydrophobicContact CB-CG1 4.08Å; L822-V867 HydrophobicContact CD1-CB 3.94Å; L822-V867 HydrophobicContact CD1-CG1 3.7Å; L822-K868 HydrophobicContact CD1-CB 3.82Å; L822-I871 HydrophobicContact CB-CD1 4.23Å; L822-I871 HydrophobicContact CD1-CD1 4.29Å; L822-I871 HydrophobicContact CD2-CD1 4.29Å; L822-I871 HydrophobicContact CG-CD1 4.5Å
823A93.4Very high89.5Confident64 Ų6467.5 Ų67.553%0.52933%0.329SS..Hα-helixtrans-63-36.5175.700000112.5E819 K820 E821 S827E819-A823 WeakPolarHBondContact O-CB 3.25Å; E819-A823 PolarHBondContact O-N 2.77Å; K820-A823 PolarHBondContact O-N 2.88Å; E821-A823 PolarHBondContact O-N 2.68Å; A823-S827 PolarHBondContact O-N 3.38Å; A823-S827 VanDerWaalsContact O-N 3.07Å
824K93.3Very high90.2Very high143 Ų14368.1 Ų68.162%0.62233%0.332SS*.Hα-helixtrans-67.9-47.1175.7-167.7-175.6179.8-172.90111.4K820 E821 L822 Q826 S827 E828K820-K824 PolarHBondContact O-N 2.92Å; E821-K824 WeakPolarHBondContact O-CB 3.46Å; E821-K824 PolarHBondContact O-N 3Å; E821-K824 VanDerWaalsContact O-N 3.15Å; L822-K824 VanDerWaalsContact C-N 3.31Å; L822-K824 PolarHBondContact O-N 3Å; K824-Q826 VanDerWaalsContact C-N 3.31Å; K824-Q826 PolarHBondContact O-N 2.79Å; K824-S827 PolarHBondContact O-N 2.79Å; K824-S827 VanDerWaalsContact O-N 3.1Å; K824-S827 PolarHBondContact O-OG 3.02Å; K824-E828 PolarHBondContact O-N 3.39Å; K824-E828 VanDerWaalsContact O-N 3.07Å
825L90.8Very high90.7Very high18 Ų1870.9 Ų70.99%0.09434%0.343CS..Hα-helixtrans-60-41.3175.8-74167.2000111.3E821 L822 S827 E828 L829 Y860 K863 Y864 V867E821-L825 HydrophobicContact CG-CD1 4.32Å; E821-L825 WeakPolarHBondContact O-CG 3.41Å; E821-L825 PolarHBondContact O-N 3.42Å; L822-L825 PolarHBondContact O-N 3.15Å; L825-S827 VanDerWaalsContact C-N 3.32Å; L825-S827 PolarHBondContact O-N 3.09Å; L825-E828 PolarHBondContact O-N 3.16Å; L825-L829 PolarHBondContact O-N 2.93Å; L825-Y860 HydrophobicContact CD2-CD1 4.17Å; L825-K863 HydrophobicContact CD1-CB 4.11Å; L825-K863 HydrophobicContact CD2-CB 4.02Å; L825-Y864 HydrophobicContact CB-CD2 4.04Å; L825-V867 HydrophobicContact CD1-CB 4.4Å; L825-V867 HydrophobicContact CD1-CG2 3.89Å
826Q95Very high91Very high67 Ų6771.8 Ų71.831%0.31335%0.348SS..Hα-helixtrans-58.3-44172.4-172.462.559.400111.4L822 K824 E828 L829 D830 Y864L822-Q826 WeakPolarHBondContact O-CB 3.39Å; L822-Q826 PolarHBondContact O-N 2.62Å; K824-Q826 VanDerWaalsContact C-N 3.31Å; K824-Q826 PolarHBondContact O-N 2.79Å; Q826-E828 VanDerWaalsContact C-N 3.32Å; Q826-E828 PolarHBondContact O-N 3.19Å; Q826-L829 PolarHBondContact O-N 3.34Å; Q826-D830 PolarHBondContact NE2-OD1 2.94Å; Q826-D830 WeakPolarHBondContact O-CB 3.22Å; Q826-D830 PolarHBondContact O-N 3.45Å; Q826-Y864 HydrophobicContact CB-CE2 4.04Å; Q826-Y864 PolarHBondContact OE1-OH 3.1Å
827S94.6Very high91.3Very high60 Ų6073.3 Ų73.342%0.4236%0.359SS..Hα-helixtrans-65.4-34.117987.10000113.3A823 K824 L825 R831A823-S827 PolarHBondContact O-N 3.38Å; A823-S827 VanDerWaalsContact O-N 3.07Å; K824-S827 PolarHBondContact O-N 2.79Å; K824-S827 VanDerWaalsContact O-N 3.1Å; K824-S827 PolarHBondContact O-OG 3.02Å; L825-S827 VanDerWaalsContact C-N 3.32Å; L825-S827 PolarHBondContact O-N 3.09Å; S827-R831 WeakPolarHBondContact O-CB 3.5Å; S827-R831 PolarHBondContact O-N 2.86Å
828E93.6Very high91.5Very high49 Ų4973 Ų7323%0.22936%0.364CS..Hα-helixtrans-72.4-41.2175.3-68.3-64167.800111K824 L825 Q826 R831 V832 Y860K824-E828 PolarHBondContact O-N 3.39Å; K824-E828 VanDerWaalsContact O-N 3.07Å; L825-E828 PolarHBondContact O-N 3.16Å; Q826-E828 VanDerWaalsContact C-N 3.32Å; Q826-E828 PolarHBondContact O-N 3.19Å; E828-R831 WeakPolarHBondContact O-CB 3.49Å; E828-R831 PolarHBondContact O-N 2.84Å; E828-V832 WeakPolarHBondContact O-CG2 3.27Å; E828-V832 PolarHBondContact O-N 3.46Å; E828-Y860 HydrophobicContact CB-CD2 4.04Å; E828-Y860 HydrophobicContact CB-CE2 4Å; E828-Y860 HydrophobicContact CB-CG 4.38Å
829L93.3Very high91.4Very high3 Ų380.7 Ų80.72%0.01640%0.399CS..Hα-helixtrans-56.8-49.6171.4-82.2165.4000111.1L825 Q826 R831 V832 D833 K857 Q861 Y864L825-L829 PolarHBondContact O-N 2.93Å; Q826-L829 PolarHBondContact O-N 3.34Å; L829-R831 PolarHBondContact O-N 3.4Å; L829-V832 PolarHBondContact O-N 2.67Å; L829-D833 WeakPolarHBondContact O-CB 3.34Å; L829-D833 PolarHBondContact O-N 2.78Å; L829-K857 HydrophobicContact CD2-CG 4.12Å; L829-Q861 HydrophobicContact CD2-CB 4.17Å; L829-Y864 HydrophobicContact CD1-CD2 4.15Å; L829-Y864 HydrophobicContact CD1-CG 4Å
830D94.4Very high91Very high88 Ų8881.5 Ų81.547%0.47141%0.406SS..Hα-helixtrans-58.4-38.3177.3-67.6-10.9000111.5Q826 K834Q826-D830 PolarHBondContact NE2-OD1 2.94Å; Q826-D830 WeakPolarHBondContact O-CB 3.22Å; Q826-D830 PolarHBondContact O-N 3.45Å; D830-K834 VanDerWaalsContact O-CB 3.23Å; D830-K834 WeakPolarHBondContact O-CB 3.34Å; D830-K834 PolarHBondContact O-N 3.38Å
831R92.7Very high90.8Very high161 Ų16176.1 Ų76.161%0.60838%0.383SS*.Hα-helixtrans-70.6-43-179.8-166.5-178.8178.1-165.40.4112.2S827 E828 L829 K834 K835S827-R831 WeakPolarHBondContact O-CB 3.5Å; S827-R831 PolarHBondContact O-N 2.86Å; E828-R831 WeakPolarHBondContact O-CB 3.49Å; E828-R831 PolarHBondContact O-N 2.84Å; L829-R831 PolarHBondContact O-N 3.4Å; R831-K834 PolarHBondContact O-N 3.26Å; R831-K835 PolarHBondContact O-N 2.9Å; R831-K835 VanDerWaalsContact O-N 3.16Å
832V92.4Very high90.5Very high6 Ų675.6 Ų75.64%0.03639%0.385CS..Hα-helixtrans-67.5-42.71761770000110E828 L829 K834 K835 L836 E853 K857 Y860E828-V832 WeakPolarHBondContact O-CG2 3.27Å; E828-V832 PolarHBondContact O-N 3.46Å; L829-V832 PolarHBondContact O-N 2.67Å; V832-K834 VanDerWaalsContact C-N 3.33Å; V832-K834 PolarHBondContact O-N 3.37Å; V832-K835 WeakPolarHBondContact O-CB 3.1Å; V832-K835 PolarHBondContact O-N 3.21Å; V832-K835 VanDerWaalsContact O-N 3.13Å; V832-L836 HydrophobicContact CG1-CD1 3.72Å; V832-L836 HydrophobicContact CG1-CG 4.22Å; V832-L836 WeakPolarHBondContact O-CG 3.38Å; V832-L836 PolarHBondContact O-N 2.9Å; V832-E853 WeakPolarHBondContact CG1-O 3.41Å; V832-K857 HydrophobicContact CG1-CB 3.76Å; V832-K857 HydrophobicContact CG1-CG 4.44Å; V832-Y860 HydrophobicContact CG2-CD2 4.14Å; V832-Y860 HydrophobicContact CG2-CE2 4.09Å
833D92.1Very high89.9Confident59 Ų5978.4 Ų78.432%0.31641%0.407SS..Hα-helixtrans-63.1-38.8175.9-88.1-21.1000112.4L829 K835 L836 S837 K857L829-D833 WeakPolarHBondContact O-CB 3.34Å; L829-D833 PolarHBondContact O-N 2.78Å; D833-K835 VanDerWaalsContact C-N 3.29Å; D833-K835 PolarHBondContact O-N 3.06Å; D833-L836 PolarHBondContact O-N 2.66Å; D833-S837 VanDerWaalsContact O-CB 3.22Å; D833-S837 WeakPolarHBondContact O-CB 3.39Å; D833-S837 PolarHBondContact O-N 3.03Å; D833-S837 PolarHBondContact O-OG 2.66Å; D833-K857 WeakPolarHBondContact OD1-CD 3.42Å; D833-K857 WeakPolarHBondContact OD1-CE 3.24Å; D833-K857 IonicContact OD1-NZ 3.7Å; D833-K857 PolarHBondContact OD1-NZ 3.38Å; D833-K857 IonicContact OD2-NZ 2.94Å; D833-K857 PolarHBondContact OD2-NZ 3.27Å
834K92.6Very high89.5Confident164 Ų16483.1 Ų83.171%0.71342%0.416SS*.Hα-helixtrans-65.9-31.6175-158.4174.1-169.9175.60112.9D830 R831 V832 S837 N838D830-K834 VanDerWaalsContact O-CB 3.23Å; D830-K834 WeakPolarHBondContact O-CB 3.34Å; D830-K834 PolarHBondContact O-N 3.38Å; R831-K834 PolarHBondContact O-N 3.26Å; V832-K834 VanDerWaalsContact C-N 3.33Å; V832-K834 PolarHBondContact O-N 3.37Å; K834-S837 WeakPolarHBondContact CA-OG 3.32Å; K834-S837 PolarHBondContact O-OG 3.39Å; K834-N838 PolarHBondContact O-N 3.15Å
835K87.7Confident89Confident86 Ų8677.3 Ų77.337%0.37439%0.394SS..Hα-helixtrans-71-49.3172-100.4179.8169.5178.80111.3R831 V832 D833 S837 N838 F841 E853R831-K835 PolarHBondContact O-N 2.9Å; R831-K835 VanDerWaalsContact O-N 3.16Å; V832-K835 WeakPolarHBondContact O-CB 3.1Å; V832-K835 PolarHBondContact O-N 3.21Å; V832-K835 VanDerWaalsContact O-N 3.13Å; D833-K835 VanDerWaalsContact C-N 3.29Å; D833-K835 PolarHBondContact O-N 3.06Å; K835-S837 VanDerWaalsContact C-N 3.31Å; K835-S837 PolarHBondContact O-N 3.05Å; K835-N838 PolarHBondContact O-N 3.47Å; K835-F841 HydrophobicContact CB-CD1 4.43Å; K835-F841 HydrophobicContact CB-CE1 4.45Å; K835-F841 VanDerWaalsContact O-CD1 3.31Å; K835-F841 WeakPolarHBondContact O-CD1 3.15Å; K835-E853 HydrophobicContact CD-CG 4.47Å; K835-E853 IonicContact NZ-OE1 3.56Å; K835-E853 PolarHBondContact NZ-OE1 2.88Å
836L89Confident88.8Confident37 Ų3780.6 Ų80.619%0.19442%0.417CS..Hα-helixtrans-71.6-23.6-176.5-69175.1000113.1V832 D833 V842 E853 K854 K857V832-L836 HydrophobicContact CG1-CD1 3.72Å; V832-L836 HydrophobicContact CG1-CG 4.22Å; V832-L836 WeakPolarHBondContact O-CG 3.38Å; V832-L836 PolarHBondContact O-N 2.9Å; D833-L836 PolarHBondContact O-N 2.66Å; L836-V842 WeakPolarHBondContact O-CG2 3.45Å; L836-E853 HydrophobicContact CD2-CB 4.06Å; L836-E853 HydrophobicContact CG-CB 4.48Å; L836-K854 HydrophobicContact CD1-CG 4.42Å; L836-K854 HydrophobicContact CD2-CG 4.28Å; L836-K857 HydrophobicContact CD1-CB 4.39Å; L836-K857 HydrophobicContact CD1-CD 4.14Å
837S89.4Confident88.2Confident91 Ų9184.6 Ų84.664%0.63644%0.435SS*.THydrogen-bonded Turntrans-86-1017356.70000113.8D833 K834 K835 E839D833-S837 VanDerWaalsContact O-CB 3.22Å; D833-S837 WeakPolarHBondContact O-CB 3.39Å; D833-S837 PolarHBondContact O-N 3.03Å; D833-S837 PolarHBondContact O-OG 2.66Å; K834-S837 WeakPolarHBondContact CA-OG 3.32Å; K834-S837 PolarHBondContact O-OG 3.39Å; K835-S837 VanDerWaalsContact C-N 3.31Å; K835-S837 PolarHBondContact O-N 3.05Å; S837-E839 PolarHBondContact O-N 3.25Å
838N88.8Confident87.6Confident81 Ų8189.7 Ų89.743%0.43345%0.45SS..  trans-81.3104.9176.5-174-16.4000110.2K834 K835 N840 F841 V842K834-N838 PolarHBondContact O-N 3.15Å; K835-N838 PolarHBondContact O-N 3.47Å; N838-N840 PolarHBondContact O-N 2.87Å; N838-N840 VanDerWaalsContact O-N 3.11Å; N838-N840 WeakPolarHBondContact OD1-CB 3.48Å; N838-N840 PolarHBondContact OD1-N 2.8Å; N838-N840 VanDerWaalsContact OD1-N 3.09Å; N838-F841 HydrophobicContact CB-CB 4.22Å; N838-F841 WeakPolarHBondContact O-CB 3.37Å; N838-F841 PolarHBondContact O-N 2.9Å; N838-V842 PolarHBondContact O-N 2.88Å; N838-V842 VanDerWaalsContact O-N 3.16Å
839E83.6Confident87.3Confident169 Ų16990 Ų9079%0.7946%0.455SS*.Hα-helixtrans-51.9-35.5179.3-76.4-172.9153.700113.4S837 F841 V842 S843S837-E839 PolarHBondContact O-N 3.25Å; E839-F841 VanDerWaalsContact C-N 3.3Å; E839-F841 PolarHBondContact O-N 3.38Å; E839-V842 PolarHBondContact O-N 2.81Å; E839-S843 VanDerWaalsContact O-CB 3.29Å; E839-S843 WeakPolarHBondContact O-CB 3.4Å; E839-S843 PolarHBondContact O-N 2.87Å; E839-S843 PolarHBondContact O-OG 3.4Å
840N82.9Confident86.9Confident100 Ų10090.8 Ų90.854%0.53546%0.459SS..Hα-helixtrans-66.9-31.1178-104.1-45.5000112.7N838 S843 K844N838-N840 PolarHBondContact O-N 2.87Å; N838-N840 VanDerWaalsContact O-N 3.11Å; N838-N840 WeakPolarHBondContact OD1-CB 3.48Å; N838-N840 PolarHBondContact OD1-N 2.8Å; N838-N840 VanDerWaalsContact OD1-N 3.09Å; N840-S843 PolarHBondContact O-OG 3.3Å; N840-K844 WeakPolarHBondContact O-CB 3.36Å; N840-K844 WeakPolarHBondContact O-CG 3.22Å; N840-K844 PolarHBondContact O-N 3.46Å; N840-K844 PolarHBondContact OD1-NZ 3.42Å
841F86.4Confident86.5Confident45 Ų4590.6 Ų90.620%0.19746%0.458CS..Hα-helixtrans-76-48.5176.7175.4-102.4000110.6K835 N838 E839 S843 K844 A845 V849 E853K835-F841 HydrophobicContact CB-CD1 4.43Å; K835-F841 HydrophobicContact CB-CE1 4.45Å; K835-F841 VanDerWaalsContact O-CD1 3.31Å; K835-F841 WeakPolarHBondContact O-CD1 3.15Å; N838-F841 HydrophobicContact CB-CB 4.22Å; N838-F841 WeakPolarHBondContact O-CB 3.37Å; N838-F841 PolarHBondContact O-N 2.9Å; E839-F841 VanDerWaalsContact C-N 3.3Å; E839-F841 PolarHBondContact O-N 3.38Å; F841-S843 VanDerWaalsContact C-N 3.26Å; F841-S843 PolarHBondContact O-N 2.86Å; F841-K844 PolarHBondContact O-N 3.02Å; F841-A845 HydrophobicContact CD2-CB 4.03Å; F841-A845 HydrophobicContact CE1-CB 4.49Å; F841-A845 HydrophobicContact CE2-CB 3.78Å; F841-A845 HydrophobicContact CZ-CB 4.03Å; F841-A845 WeakPolarHBondContact O-CB 3.44Å; F841-A845 PolarHBondContact O-N 3.04Å; F841-V849 HydrophobicContact CZ-CG1 4.22Å; F841-E853 HydrophobicContact CZ-CG 4.27Å
842V81.7Confident86.2Confident67 Ų6787 Ų8741%0.40645%0.448SS..Hα-helixtrans-63.1-33.8-178.5-178.40000111.9L836 N838 E839 I850L836-V842 WeakPolarHBondContact O-CG2 3.45Å; N838-V842 PolarHBondContact O-N 2.88Å; N838-V842 VanDerWaalsContact O-N 3.16Å; E839-V842 PolarHBondContact O-N 2.81Å; V842-I850 WeakPolarHBondContact O-CD1 3.43Å
843S80.3Confident86Confident89 Ų8987.5 Ų87.562%0.62245%0.45SS*.Hα-helixtrans-81.9-19.4179.856.50000115E839 N840 F841E839-S843 VanDerWaalsContact O-CB 3.29Å; E839-S843 WeakPolarHBondContact O-CB 3.4Å; E839-S843 PolarHBondContact O-N 2.87Å; E839-S843 PolarHBondContact O-OG 3.4Å; N840-S843 PolarHBondContact O-OG 3.3Å; F841-S843 VanDerWaalsContact C-N 3.26Å; F841-S843 PolarHBondContact O-N 2.86Å
844K84.5Confident85.9Confident163 Ų16390.2 Ų90.271%0.70946%0.459SS*.Hα-helixtrans-117.3-21.8-172.9-65.1-176.3179.7175.70115.1N840 F841N840-K844 WeakPolarHBondContact O-CB 3.36Å; N840-K844 WeakPolarHBondContact O-CG 3.22Å; N840-K844 PolarHBondContact O-N 3.46Å; N840-K844 PolarHBondContact OD1-NZ 3.42Å; F841-K844 PolarHBondContact O-N 3.02Å
845A84Confident85.6Confident20 Ų2089.4 Ų89.417%0.16545%0.452CS..SBendtrans-75.5144.4-177.900000111.1F841 I850F841-A845 HydrophobicContact CD2-CB 4.03Å; F841-A845 HydrophobicContact CE1-CB 4.49Å; F841-A845 HydrophobicContact CE2-CB 3.78Å; F841-A845 HydrophobicContact CZ-CB 4.03Å; F841-A845 WeakPolarHBondContact O-CB 3.44Å; F841-A845 PolarHBondContact O-N 3.04Å; A845-I850 HydrophobicContact CB-CD1 4.3Å; A845-I850 HydrophobicContact CB-CG1 3.93Å; A845-I850 WeakPolarHBondContact O-CD1 3.35Å
846P85.1Confident85.6Confident87 Ų8789.4 Ų89.457%0.56545%0.451SS*.  trans-56.8143.3172.1-21.331.1000111.5K848 V849 I850P846-K848 PolarHBondContact O-N 2.83Å; P846-K848 VanDerWaalsContact O-N 3.15Å; P846-V849 HydrophobicContact CB-CG2 4.23Å; P846-V849 HydrophobicContact CG-CG2 4.26Å; P846-V849 WeakPolarHBondContact O-CB 3.26Å; P846-V849 PolarHBondContact O-N 3.38Å; P846-I850 PolarHBondContact O-N 3.38Å
847E82.9Confident85.8Confident152 Ų15291 Ų9171%0.7146%0.457SS*.Hα-helixtrans-56.2-36.6-175.3-162.7174.9-156.500113V849 I850 N851E847-V849 VanDerWaalsContact C-N 3.3Å; E847-V849 PolarHBondContact O-N 2.85Å; E847-I850 PolarHBondContact O-N 3.28Å; E847-N851 WeakPolarHBondContact O-CB 3.28Å; E847-N851 PolarHBondContact O-N 2.84Å
848K82.4Confident85.7Confident167 Ų16793.1 Ų93.173%0.72646%0.457SS*.Hα-helixtrans-57.6-40.7174.3-167.2179-178.8-177.90112.5P846 E852P846-K848 PolarHBondContact O-N 2.83Å; P846-K848 VanDerWaalsContact O-N 3.15Å; K848-E852 PolarHBondContact O-N 3.49Å
849V86.2Confident85.4Confident55 Ų5592.7 Ų92.733%0.33346%0.455SS..Hα-helixtrans-73.3-37.4-179.2-1780000110.9F841 P846 E847 E852 E853F841-V849 HydrophobicContact CZ-CG1 4.22Å; P846-V849 HydrophobicContact CB-CG2 4.23Å; P846-V849 HydrophobicContact CG-CG2 4.26Å; P846-V849 WeakPolarHBondContact O-CB 3.26Å; P846-V849 PolarHBondContact O-N 3.38Å; E847-V849 VanDerWaalsContact C-N 3.3Å; E847-V849 PolarHBondContact O-N 2.85Å; V849-E852 PolarHBondContact O-N 3.49Å; V849-E853 PolarHBondContact O-N 3.49Å; V849-E853 VanDerWaalsContact O-N 3.08Å
850I86Confident85.8Confident20 Ų2087.5 Ų87.510%0.10343%0.428CS..Hα-helixtrans-64.6-44.6175.4-61.6173.4000110.2V842 A845 P846 E847 E852 E853 K854V842-I850 WeakPolarHBondContact O-CD1 3.43Å; A845-I850 HydrophobicContact CB-CD1 4.3Å; A845-I850 HydrophobicContact CB-CG1 3.93Å; A845-I850 WeakPolarHBondContact O-CD1 3.35Å; P846-I850 PolarHBondContact O-N 3.38Å; E847-I850 PolarHBondContact O-N 3.28Å; I850-E852 VanDerWaalsContact C-N 3.35Å; I850-E853 PolarHBondContact O-N 2.95Å; I850-K854 WeakPolarHBondContact O-CG 3.48Å; I850-K854 PolarHBondContact O-N 2.85Å
851N86.1Confident86.2Confident83 Ų8386.1 Ų86.144%0.44442%0.418SS..Hα-helixtrans-66.3-36.2177.8-74.6-20.6000112.2E847 K854 R855E847-N851 WeakPolarHBondContact O-CB 3.28Å; E847-N851 PolarHBondContact O-N 2.84Å; N851-K854 PolarHBondContact O-N 3.17Å; N851-R855 WeakPolarHBondContact O-CB 3.33Å; N851-R855 PolarHBondContact O-N 2.77Å
852E85.4Confident86.1Confident87 Ų8790.6 Ų90.641%0.40744%0.44SS..Hα-helixtrans-60-44.7170.7-96.2-172.814900112.7K848 V849 I850 R855 K856K848-E852 PolarHBondContact O-N 3.49Å; V849-E852 PolarHBondContact O-N 3.49Å; I850-E852 VanDerWaalsContact C-N 3.35Å; E852-R855 PolarHBondContact O-N 2.9Å; E852-K856 WeakPolarHBondContact O-CG 3.21Å; E852-K856 PolarHBondContact O-N 2.66Å
853E89.9Confident86.1Confident15 Ų1593.5 Ų93.57%0.0745%0.447CS..Hα-helixtrans-69.2-35.1177.9-71.5-65.6-172.900112.4V832 K835 L836 F841 V849 I850 K856 K857V832-E853 WeakPolarHBondContact CG1-O 3.41Å; K835-E853 HydrophobicContact CD-CG 4.47Å; K835-E853 IonicContact NZ-OE1 3.56Å; K835-E853 PolarHBondContact NZ-OE1 2.88Å; L836-E853 HydrophobicContact CD2-CB 4.06Å; L836-E853 HydrophobicContact CG-CB 4.48Å; F841-E853 HydrophobicContact CZ-CG 4.27Å; V849-E853 PolarHBondContact O-N 3.49Å; V849-E853 VanDerWaalsContact O-N 3.08Å; I850-E853 PolarHBondContact O-N 2.95Å; E853-K856 PolarHBondContact O-N 3.11Å; E853-K856 WeakPolarHBondContact OE2-CD 3.43Å; E853-K857 PolarHBondContact O-N 2.79Å
854K89.4Confident86.7Confident117 Ų11791.1 Ų91.151%0.50943%0.425SS..Hα-helixtrans-61.6-43.9171.4-75.8179.3178.3174.90111.7L836 I850 N851 K857 Q858L836-K854 HydrophobicContact CD1-CG 4.42Å; L836-K854 HydrophobicContact CD2-CG 4.28Å; I850-K854 WeakPolarHBondContact O-CG 3.48Å; I850-K854 PolarHBondContact O-N 2.85Å; N851-K854 PolarHBondContact O-N 3.17Å; K854-K857 WeakPolarHBondContact O-CB 3.34Å; K854-K857 PolarHBondContact O-N 3.31Å; K854-Q858 PolarHBondContact O-N 3.08Å; K854-Q858 VanDerWaalsContact O-N 3.13Å
855R85.6Confident86.9Confident147 Ų14787.3 Ų87.356%0.55541%0.412SS*.Hα-helixtrans-62.6-44.5176.4-166179.571.8-158.3-1.7111.1N851 E852 K857 Q858 D859N851-R855 WeakPolarHBondContact O-CB 3.33Å; N851-R855 PolarHBondContact O-N 2.77Å; E852-R855 PolarHBondContact O-N 2.9Å; R855-K857 VanDerWaalsContact C-N 3.32Å; R855-K857 PolarHBondContact O-N 3.4Å; R855-Q858 WeakPolarHBondContact O-CB 3.35Å; R855-Q858 PolarHBondContact O-N 2.83Å; R855-Q858 VanDerWaalsContact O-N 3.12Å; R855-D859 PolarHBondContact O-N 2.87Å
856K88.4Confident86.6Confident85 Ų8588.4 Ų88.437%0.3743%0.426SS..Hα-helixtrans-57.3-42.9174-78.5177.7179.3174.60112.6E852 E853 Q858 D859 Y860E852-K856 WeakPolarHBondContact O-CG 3.21Å; E852-K856 PolarHBondContact O-N 2.66Å; E853-K856 PolarHBondContact O-N 3.11Å; E853-K856 WeakPolarHBondContact OE2-CD 3.43Å; K856-Q858 VanDerWaalsContact C-N 3.29Å; K856-Q858 PolarHBondContact O-N 2.94Å; K856-D859 PolarHBondContact O-N 3Å; K856-Y860 HydrophobicContact CB-CD2 4.35Å; K856-Y860 HydrophobicContact CB-CE2 4.06Å; K856-Y860 WeakPolarHBondContact O-CB 3.17Å; K856-Y860 WeakPolarHBondContact O-CD2 3.33Å; K856-Y860 VanDerWaalsContact O-CG 3.29Å; K856-Y860 PolarHBondContact O-N 2.8Å
857K92.4Very high86.5Confident71 Ų7185.1 Ų85.131%0.30940%0.404SS..Hα-helixtrans-57.2-46.9175.6-173.7177.1175.3172.40110.9L829 V832 D833 L836 E853 K854 R855 Y860 Q861L829-K857 HydrophobicContact CD2-CG 4.12Å; V832-K857 HydrophobicContact CG1-CB 3.76Å; V832-K857 HydrophobicContact CG1-CG 4.44Å; D833-K857 WeakPolarHBondContact OD1-CD 3.42Å; D833-K857 WeakPolarHBondContact OD1-CE 3.24Å; D833-K857 IonicContact OD1-NZ 3.7Å; D833-K857 PolarHBondContact OD1-NZ 3.38Å; D833-K857 IonicContact OD2-NZ 2.94Å; D833-K857 PolarHBondContact OD2-NZ 3.27Å; L836-K857 HydrophobicContact CD1-CB 4.39Å; L836-K857 HydrophobicContact CD1-CD 4.14Å; E853-K857 PolarHBondContact O-N 2.79Å; K854-K857 WeakPolarHBondContact O-CB 3.34Å; K854-K857 PolarHBondContact O-N 3.31Å; R855-K857 VanDerWaalsContact C-N 3.32Å; R855-K857 PolarHBondContact O-N 3.4Å; K857-Y860 PolarHBondContact O-N 2.91Å; K857-Q861 VanDerWaalsContact O-CB 3.31Å; K857-Q861 WeakPolarHBondContact O-CB 3.46Å; K857-Q861 PolarHBondContact O-N 2.89Å
858Q88.1Confident86.8Confident135 Ų13582.4 Ų82.463%0.63139%0.39SS*.Hα-helixtrans-63.6-47.3-178.7-152.6172.13.900111.3K854 R855 K856 Y860 Q861 E862K854-Q858 PolarHBondContact O-N 3.08Å; K854-Q858 VanDerWaalsContact O-N 3.13Å; R855-Q858 WeakPolarHBondContact O-CB 3.35Å; R855-Q858 PolarHBondContact O-N 2.83Å; R855-Q858 VanDerWaalsContact O-N 3.12Å; K856-Q858 VanDerWaalsContact C-N 3.29Å; K856-Q858 PolarHBondContact O-N 2.94Å; Q858-Y860 PolarHBondContact O-N 2.94Å; Q858-Q861 PolarHBondContact O-N 2.8Å; Q858-E862 PolarHBondContact O-N 3.28Å
859D82.9Confident86.7Confident73 Ų7377.2 Ų77.239%0.3938%0.378SS..Hα-helixtrans-60.4-43176.6-70.7-11.2000112.3R855 K856 K863R855-D859 PolarHBondContact O-N 2.87Å; K856-D859 PolarHBondContact O-N 3Å; D859-K863 WeakPolarHBondContact O-CG 3.37Å; D859-K863 PolarHBondContact O-N 3.29Å; D859-K863 VanDerWaalsContact O-N 3.14Å
860Y91.3Very high86.2Confident60 Ų6077.2 Ų77.224%0.23537%0.372CS..Hα-helixtrans-69.3-35.6177.9-67.7-40.5000112.1L825 E828 V832 K856 K857 Q858 K863 Y864L825-Y860 HydrophobicContact CD2-CD1 4.17Å; E828-Y860 HydrophobicContact CB-CD2 4.04Å; E828-Y860 HydrophobicContact CB-CE2 4Å; E828-Y860 HydrophobicContact CB-CG 4.38Å; V832-Y860 HydrophobicContact CG2-CD2 4.14Å; V832-Y860 HydrophobicContact CG2-CE2 4.09Å; K856-Y860 HydrophobicContact CB-CD2 4.35Å; K856-Y860 HydrophobicContact CB-CE2 4.06Å; K856-Y860 WeakPolarHBondContact O-CB 3.17Å; K856-Y860 WeakPolarHBondContact O-CD2 3.33Å; K856-Y860 VanDerWaalsContact O-CG 3.29Å; K856-Y860 PolarHBondContact O-N 2.8Å; K857-Y860 PolarHBondContact O-N 2.91Å; Q858-Y860 PolarHBondContact O-N 2.94Å; Y860-K863 PolarHBondContact O-N 3.47Å; Y860-Y864 VanDerWaalsContact O-CB 3.27Å; Y860-Y864 WeakPolarHBondContact O-CB 3.36Å; Y860-Y864 PolarHBondContact O-N 3.12Å
861Q92.2Very high86.1Confident70 Ų7076.9 Ų76.933%0.32737%0.37SS..Hα-helixtrans-67-46.9177.5-170.761.559.400111.3L829 K857 Q858 K863 Y864 D865L829-Q861 HydrophobicContact CD2-CB 4.17Å; K857-Q861 VanDerWaalsContact O-CB 3.31Å; K857-Q861 WeakPolarHBondContact O-CB 3.46Å; K857-Q861 PolarHBondContact O-N 2.89Å; Q858-Q861 PolarHBondContact O-N 2.8Å; Q861-K863 VanDerWaalsContact C-N 3.32Å; Q861-K863 PolarHBondContact O-N 2.89Å; Q861-Y864 WeakPolarHBondContact O-CB 3.31Å; Q861-Y864 PolarHBondContact O-N 3.42Å; Q861-Y864 VanDerWaalsContact O-N 3.15Å; Q861-D865 PolarHBondContact NE2-OD1 3.02Å; Q861-D865 VanDerWaalsContact NE2-OD1 3.12Å; Q861-D865 PolarHBondContact NE2-OD2 2.78Å; Q861-D865 PolarHBondContact O-N 3.29Å
862E84Confident86Confident140 Ų14078.9 Ų78.965%0.65438%0.377SS*.Hα-helixtrans-58.4-44.4175-86.6-174.3164.800111.9Q858 D865 G866Q858-E862 PolarHBondContact O-N 3.28Å; E862-D865 PolarHBondContact O-N 3.45Å; E862-G866 PolarHBondContact O-N 3.38Å
863K80.9Confident85.5Confident128 Ų12880.7 Ų80.756%0.55739%0.386SS*.Hα-helixtrans-62.1-44174.9-75.5176.8-179.3176.30111.8L825 D859 Y860 Q861 G866 V867L825-K863 HydrophobicContact CD1-CB 4.11Å; L825-K863 HydrophobicContact CD2-CB 4.02Å; D859-K863 WeakPolarHBondContact O-CG 3.37Å; D859-K863 PolarHBondContact O-N 3.29Å; D859-K863 VanDerWaalsContact O-N 3.14Å; Y860-K863 PolarHBondContact O-N 3.47Å; Q861-K863 VanDerWaalsContact C-N 3.32Å; Q861-K863 PolarHBondContact O-N 2.89Å; K863-G866 PolarHBondContact O-N 3.14Å; K863-V867 WeakPolarHBondContact O-CG2 3.32Å; K863-V867 PolarHBondContact O-N 2.94Å
864Y92.9Very high84.7Confident39 Ų3980.7 Ų80.715%0.15339%0.386CS..Hα-helixtrans-59.5-48.7178.8179.9-87000111.2L822 L825 Q826 L829 Y860 Q861 G866 V867 K868L822-Y864 HydrophobicContact CD1-CD2 3.94Å; L822-Y864 HydrophobicContact CD1-CE2 3.8Å; L822-Y864 HydrophobicContact CD1-CG 4.36Å; L822-Y864 HydrophobicContact CD2-CE2 4.12Å; L822-Y864 HydrophobicContact CG-CD2 4.03Å; L822-Y864 HydrophobicContact CG-CE2 3.53Å; L825-Y864 HydrophobicContact CB-CD2 4.04Å; Q826-Y864 HydrophobicContact CB-CE2 4.04Å; Q826-Y864 PolarHBondContact OE1-OH 3.1Å; L829-Y864 HydrophobicContact CD1-CD2 4.15Å; L829-Y864 HydrophobicContact CD1-CG 4Å; Y860-Y864 VanDerWaalsContact O-CB 3.27Å; Y860-Y864 WeakPolarHBondContact O-CB 3.36Å; Y860-Y864 PolarHBondContact O-N 3.12Å; Q861-Y864 WeakPolarHBondContact O-CB 3.31Å; Q861-Y864 PolarHBondContact O-N 3.42Å; Q861-Y864 VanDerWaalsContact O-N 3.15Å; Y864-G866 VanDerWaalsContact C-N 3.34Å; Y864-G866 PolarHBondContact O-N 3.27Å; Y864-V867 PolarHBondContact O-N 3.38Å; Y864-K868 HydrophobicContact CE1-CD 4.17Å; Y864-K868 WeakPolarHBondContact O-CB 3.14Å; Y864-K868 PolarHBondContact O-N 2.99Å
865D87.9Confident84.3Confident82 Ų8280.9 Ų80.944%0.43939%0.387SS..Hα-helixtrans-65.5-39.3-180-66.5-29.7000111.3Q861 E862 K868 A869Q861-D865 PolarHBondContact NE2-OD1 3.02Å; Q861-D865 VanDerWaalsContact NE2-OD1 3.12Å; Q861-D865 PolarHBondContact NE2-OD2 2.78Å; Q861-D865 PolarHBondContact O-N 3.29Å; E862-D865 PolarHBondContact O-N 3.45Å; D865-K868 PolarHBondContact O-N 3.42Å; D865-A869 WeakPolarHBondContact O-CB 3.09Å; D865-A869 PolarHBondContact O-N 2.95Å
866G79.3Confident83.6Confident44 Ų4479.7 Ų79.745%0.45441%0.408SS..Hα-helixtrans-61.1-48.1173.200000113.2E862 K863 Y864 K868 A869 R870E862-G866 PolarHBondContact O-N 3.38Å; K863-G866 PolarHBondContact O-N 3.14Å; Y864-G866 VanDerWaalsContact C-N 3.34Å; Y864-G866 PolarHBondContact O-N 3.27Å; G866-K868 VanDerWaalsContact C-N 3.33Å; G866-K868 PolarHBondContact O-N 3.06Å; G866-A869 PolarHBondContact O-N 3.27Å; G866-R870 WeakPolarHBondContact O-CB 3.28Å; G866-R870 PolarHBondContact O-N 2.93Å
867V81.8Confident83.4Confident18 Ų1879.5 Ų79.511%0.10941%0.41CS..Hα-helixtrans-63.1-41176173.80000110.7L818 L822 L825 K863 Y864 R870 I871L818-V867 HydrophobicContact CB-CG1 4.13Å; L818-V867 HydrophobicContact CD2-CG1 4.08Å; L822-V867 HydrophobicContact CB-CG1 4.08Å; L822-V867 HydrophobicContact CD1-CB 3.94Å; L822-V867 HydrophobicContact CD1-CG1 3.7Å; L825-V867 HydrophobicContact CD1-CB 4.4Å; L825-V867 HydrophobicContact CD1-CG2 3.89Å; K863-V867 WeakPolarHBondContact O-CG2 3.32Å; K863-V867 PolarHBondContact O-N 2.94Å; Y864-V867 PolarHBondContact O-N 3.38Å; V867-R870 PolarHBondContact O-N 3.43Å; V867-I871 HydrophobicContact CG1-CD1 4.07Å; V867-I871 WeakPolarHBondContact O-CG1 3.49Å; V867-I871 PolarHBondContact O-N 3.33Å
868K89.2Confident82.9Confident95 Ų9579.9 Ų79.941%0.41342%0.416SS..Hα-helixtrans-63.3-48.7178.9-168.5-177.9175.6-169.50112L822 Y864 D865 G866 R870 I871 E872L822-K868 HydrophobicContact CD1-CB 3.82Å; Y864-K868 HydrophobicContact CE1-CD 4.17Å; Y864-K868 WeakPolarHBondContact O-CB 3.14Å; Y864-K868 PolarHBondContact O-N 2.99Å; D865-K868 PolarHBondContact O-N 3.42Å; G866-K868 VanDerWaalsContact C-N 3.33Å; G866-K868 PolarHBondContact O-N 3.06Å; K868-R870 PolarHBondContact O-N 3Å; K868-I871 PolarHBondContact O-N 3.34Å; K868-E872 PolarHBondContact O-N 3.05Å
869A81.4Confident82.6Confident58 Ų5876.8 Ų76.848%0.47940%0.404SS..Hα-helixtrans-59.1-38.5176.400000111.2D865 G866 E872 Q873D865-A869 WeakPolarHBondContact O-CB 3.09Å; D865-A869 PolarHBondContact O-N 2.95Å; G866-A869 PolarHBondContact O-N 3.27Å; A869-E872 PolarHBondContact O-N 3.08Å; A869-Q873 WeakPolarHBondContact O-CB 3.24Å; A869-Q873 PolarHBondContact O-N 3.2Å
870R76Confident82.6Confident54 Ų5477.1 Ų77.120%0.20440%0.404CS..Hα-helixtrans-66-40.1176.3-169.559.2168.3177.3-2.9112.9L818 G866 V867 K868 Q873 L874L818-R870 HydrophobicContact CD1-CG 4.07Å; G866-R870 WeakPolarHBondContact O-CB 3.28Å; G866-R870 PolarHBondContact O-N 2.93Å; V867-R870 PolarHBondContact O-N 3.43Å; K868-R870 PolarHBondContact O-N 3Å; R870-Q873 PolarHBondContact O-N 3.01Å; R870-L874 HydrophobicContact CG-CD1 4.29Å; R870-L874 WeakPolarHBondContact O-CG 3.49Å; R870-L874 PolarHBondContact O-N 2.88Å
871I83.2Confident82Confident13 Ų1378.1 Ų78.17%0.06742%0.415CS..Hα-helixtrans-62.1-45.4174-68.2166.5000110.4L818 E819 L822 V867 K868 Q873 L874 K875L818-I871 HydrophobicContact CB-CD1 3.82Å; L818-I871 HydrophobicContact CB-CG1 3.52Å; L818-I871 HydrophobicContact CD1-CG1 4.11Å; L818-I871 HydrophobicContact CG-CG1 4.45Å; E819-I871 HydrophobicContact CG-CD1 4.15Å; L822-I871 HydrophobicContact CB-CD1 4.23Å; L822-I871 HydrophobicContact CD1-CD1 4.29Å; L822-I871 HydrophobicContact CD2-CD1 4.29Å; L822-I871 HydrophobicContact CG-CD1 4.5Å; V867-I871 HydrophobicContact CG1-CD1 4.07Å; V867-I871 WeakPolarHBondContact O-CG1 3.49Å; V867-I871 PolarHBondContact O-N 3.33Å; K868-I871 PolarHBondContact O-N 3.34Å; I871-Q873 VanDerWaalsContact C-N 3.32Å; I871-Q873 PolarHBondContact O-N 3.1Å; I871-L874 PolarHBondContact O-N 2.88Å; I871-K875 HydrophobicContact CG2-CD 3.94Å; I871-K875 HydrophobicContact CG2-CG 4.45Å; I871-K875 WeakPolarHBondContact O-CB 3.33Å; I871-K875 WeakPolarHBondContact O-CG 3.38Å; I871-K875 PolarHBondContact O-N 2.62Å
872E84.1Confident81.4Confident126 Ų12678.7 Ų78.759%0.58942%0.421SS*.Hα-helixtrans-60.8-42.9176.6-76.5-171.6172.200111.4K868 A869 L874 K875 A876K868-E872 PolarHBondContact O-N 3.05Å; A869-E872 PolarHBondContact O-N 3.08Å; E872-L874 VanDerWaalsContact C-N 3.33Å; E872-L874 PolarHBondContact O-N 2.83Å; E872-K875 PolarHBondContact O-N 2.87Å; E872-A876 PolarHBondContact O-N 3.38Å
873Q75.6Confident81.2Confident125 Ų12574.3 Ų74.358%0.58440%0.404SS*.Hα-helixtrans-64.4-34.4177.9-162.7-174.924.100113.2A869 R870 I871A869-Q873 WeakPolarHBondContact O-CB 3.24Å; A869-Q873 PolarHBondContact O-N 3.2Å; R870-Q873 PolarHBondContact O-N 3.01Å; I871-Q873 VanDerWaalsContact C-N 3.32Å; I871-Q873 PolarHBondContact O-N 3.1Å
874L73.3Confident81.2Confident14 Ų1470.2 Ų70.27%0.07339%0.392CS..Hα-helixtrans-78.6-21.7176.6-73.8169.1000113.3E814 I815 L818 R870 I871 E872E814-L874 HydrophobicContact CG-CD1 4.23Å; I815-L874 HydrophobicContact CD1-CB 4.41Å; I815-L874 HydrophobicContact CG1-CB 4.13Å; L818-L874 HydrophobicContact CD1-CD1 3.53Å; R870-L874 HydrophobicContact CG-CD1 4.29Å; R870-L874 WeakPolarHBondContact O-CG 3.49Å; R870-L874 PolarHBondContact O-N 2.88Å; I871-L874 PolarHBondContact O-N 2.88Å; E872-L874 VanDerWaalsContact C-N 3.33Å; E872-L874 PolarHBondContact O-N 2.83Å
875K79.5Confident80.2Confident122 Ų12272.8 Ų72.853%0.5341%0.412SS..Hα-helixtrans-88.3-25.1177.9-77-178.3179.1177.20113.4I815 E819 I871 E872I815-K875 HydrophobicContact CD1-CG 3.72Å; I815-K875 HydrophobicContact CG1-CG 4.36Å; I815-K875 VanDerWaalsContact CG2-CE 3.41Å; E819-K875 IonicContact OE1-NZ 2.67Å; E819-K875 PolarHBondContact OE1-NZ 2.95Å; I871-K875 HydrophobicContact CG2-CD 3.94Å; I871-K875 HydrophobicContact CG2-CG 4.45Å; I871-K875 WeakPolarHBondContact O-CB 3.33Å; I871-K875 WeakPolarHBondContact O-CG 3.38Å; I871-K875 PolarHBondContact O-N 2.62Å; E872-K875 PolarHBondContact O-N 2.87Å
876A71.5Confident79.5Confident122 Ų12271.9 Ų71.9100%1.00841%0.41SS*.  trans-69.60171.600000110.6E872E872-A876 PolarHBondContact O-N 3.38Å

Retrieved 876 of 876 residues in 3400.6 ms (Link to these results)

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