A0A093HWD2_STRCA Loading...

Ras GTPase-activating protein-binding protein 2

Scaffold protein that plays an essential role in cytoplasmic stress granule formation which acts as a platform for antiviral signaling. Plays an essential role in stress granule formation. Stress granules are membraneless compartments that store mRNAs and proteins, such as stalled translation pre-initiation complexes, in response to stress. Promotes formation of stress granules phase-separated membraneless compartment by undergoing liquid-liquid phase separation (LLPS) upon unfolded RNA-binding: functions as a molecular switch that triggers RNA-dependent LLPS in response to a rise in intracellular free RNA concentrations.

AlphaFold DB , UniProt , Accession A0A093HWD2, Species STRCA (Struthio camelus australis), Gene n/a, Length 482 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
1M49.3Very low82.8Confident238 Ų238105.5 Ų105.5100%1.17255%0.553SS**  0139.40-65.7161.3179.200107.5
2V56.4Low84Confident147 Ų14796.8 Ų96.889%0.89151%0.507SS*.PPolyproline II helixtrans-78121165.6179.70000106E4V2-E4 PolarHBondContact O-N 2.68Å
3M67.3Low85.1Confident153 Ų153100.2 Ų100.275%0.75451%0.509SS*.PPolyproline II helixtrans-74.6127.8173.9-71.5-149.8-62.100109.4
4E80.9Confident85.9Confident179 Ų17996.7 Ų96.784%0.83649%0.49SS*.PPolyproline II helixtrans-62.1150.2173.3-166.6166.8-160.900110.6V2 P6V2-E4 PolarHBondContact O-N 2.68Å; E4-P6 WeakPolarHBondContact O-CD 3.15Å
5K84.8Confident86.8Confident130 Ų13090.7 Ų90.757%0.56546%0.459SS*.PPolyproline II helixtrans-70.8119.1-179.3-174.6176.3178.8178.40108.7D88K5-D88 IonicContact NZ-OD1 2.82Å; K5-D88 PolarHBondContact NZ-OD1 2.77Å; K5-D88 IonicContact NZ-OD2 3.15Å
6P91.3Very high87.5Confident41 Ų4185.4 Ų85.427%0.26643%0.433SS..PPolyproline II helixtrans-64.6145.8-178.327.4-35.1000110.9E4 L10 V11E4-P6 WeakPolarHBondContact O-CD 3.15Å; P6-L10 HydrophobicContact CB-CD2 4Å; P6-L10 HydrophobicContact CB-CG 4.43Å; P6-V11 HydrophobicContact CB-CG2 3.88Å; P6-V11 HydrophobicContact CG-CG2 3.63Å
7S95.4Very high88.1Confident64 Ų6487 Ų8745%0.44843%0.432SS..PPolyproline II helixtrans-67.1152.3177.868.90000111.4L9 L10 V11S7-L9 PolarHBondContact O-N 3.43Å; S7-L10 WeakPolarHBondContact O-CB 3.38Å; S7-L10 PolarHBondContact O-N 3.44Å; S7-L10 WeakPolarHBondContact OG-CB 3.35Å; S7-L10 PolarHBondContact OG-N 2.67Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.1Å
8P96.3Very high88.6Confident42 Ų4283.7 Ų83.727%0.27342%0.416SS..Hα-helixtrans-54.4-37.2178.2-27.235000113.2V11 G12 A82 A84 V90P8-V11 PolarHBondContact O-N 2.76Å; P8-G12 PolarHBondContact O-N 2.7Å; P8-A82 WeakPolarHBondContact O-CB 3.47Å; P8-A84 HydrophobicContact CG-CB 3.77Å; P8-V90 HydrophobicContact CB-CG1 4.04Å; P8-V90 HydrophobicContact CB-CG2 4.07Å
9L96.5Very high89.1Confident66 Ų6679.3 Ų79.335%0.34639%0.394SS..Hα-helixtrans-66.2-38176.3-173.161.5000112.8S7 R13S7-L9 PolarHBondContact O-N 3.43Å; L9-R13 HydrophobicContact CD1-CG 4.34Å; L9-R13 WeakPolarHBondContact O-CB 3.4Å; L9-R13 VanDerWaalsContact O-CG 3.25Å; L9-R13 WeakPolarHBondContact O-CG 3.5Å; L9-R13 PolarHBondContact O-N 3.33Å
10L96.5Very high89.5Confident94 Ų9475.8 Ų75.849%0.49238%0.376SS..Hα-helixtrans-69.1-45.1174.9179.659.4000111.1P6 S7 R13 E14P6-L10 HydrophobicContact CB-CD2 4Å; P6-L10 HydrophobicContact CB-CG 4.43Å; S7-L10 WeakPolarHBondContact O-CB 3.38Å; S7-L10 PolarHBondContact O-N 3.44Å; S7-L10 WeakPolarHBondContact OG-CB 3.35Å; S7-L10 PolarHBondContact OG-N 2.67Å; L10-R13 PolarHBondContact O-N 3.11Å; L10-E14 HydrophobicContact CD1-CG 4.37Å; L10-E14 WeakPolarHBondContact O-CB 3.34Å; L10-E14 PolarHBondContact O-N 3.11Å
11V96.4Very high89.9Confident7 Ų775 Ų754%0.04238%0.375CS..Hα-helixtrans-58.4-49.7175.9175.70000110.7P6 S7 P8 F15 V90 L114 F124P6-V11 HydrophobicContact CB-CG2 3.88Å; P6-V11 HydrophobicContact CG-CG2 3.63Å; S7-V11 WeakPolarHBondContact O-CG2 3.49Å; S7-V11 PolarHBondContact O-N 3.1Å; P8-V11 PolarHBondContact O-N 2.76Å; V11-F15 VanDerWaalsContact O-CB 3.23Å; V11-F15 WeakPolarHBondContact O-CB 3.5Å; V11-F15 PolarHBondContact O-N 3.05Å; V11-V90 HydrophobicContact CG1-CG2 4.41Å; V11-L114 HydrophobicContact CG1-CD1 4Å; V11-F124 HydrophobicContact CG1-CD2 3.96Å; V11-F124 HydrophobicContact CG1-CE2 3.97Å; V11-F124 HydrophobicContact CG1-CG 4.34Å; V11-F124 HydrophobicContact CG1-CZ 4.36Å; V11-F124 HydrophobicContact CG2-CE2 4.13Å
12G97.4Very high92.1Very high0 Ų065.9 Ų65.90%033%0.331CS..Hα-helixtrans-62.9-44.6-179.600000113.1P8 V16P8-G12 PolarHBondContact O-N 2.7Å; G12-V16 VanDerWaalsContact O-CB 3.31Å; G12-V16 WeakPolarHBondContact O-CB 3.43Å; G12-V16 VanDerWaalsContact O-CG2 3.29Å; G12-V16 WeakPolarHBondContact O-CG2 3.21Å; G12-V16 PolarHBondContact O-N 3.23Å
13R97.5Very high94Very high142 Ų14258.9 Ų58.954%0.53629%0.289SS..Hα-helixtrans-65.4-43.6178-74.9176.2175.9-170-1.1112.8L9 L10 V16 R17 V80L9-R13 HydrophobicContact CD1-CG 4.34Å; L9-R13 WeakPolarHBondContact O-CB 3.4Å; L9-R13 VanDerWaalsContact O-CG 3.25Å; L9-R13 WeakPolarHBondContact O-CG 3.5Å; L9-R13 PolarHBondContact O-N 3.33Å; L10-R13 PolarHBondContact O-N 3.11Å; R13-V16 PolarHBondContact O-N 3.47Å; R13-R17 WeakPolarHBondContact O-CB 3.22Å; R13-R17 PolarHBondContact O-N 3.07Å; R13-V80 HydrophobicContact CG-CB 4.49Å; R13-V80 HydrophobicContact CG-CG1 4.26Å
14E97.2Very high95.3Very high51 Ų5154.4 Ų54.424%0.23827%0.268CS..Hα-helixtrans-69-39.8177.5-89.6-62.7116.700112.7L10 R17 Q18 W246L10-E14 HydrophobicContact CD1-CG 4.37Å; L10-E14 WeakPolarHBondContact O-CB 3.34Å; L10-E14 PolarHBondContact O-N 3.11Å; E14-R17 PolarHBondContact O-N 2.65Å; E14-R17 IonicContact OE1-CZ 3.93Å; E14-R17 IonicContact OE1-NE 3.13Å; E14-R17 PolarHBondContact OE1-NE 3.15Å; E14-R17 IonicContact OE1-NH2 2.76Å; E14-R17 IonicContact OE2-CZ 2.81Å; E14-R17 IonicContact OE2-NE 2.67Å; E14-R17 PolarHBondContact OE2-NE 3.17Å; E14-R17 IonicContact OE2-NH2 2.83Å; E14-R17 PolarHBondContact OE2-NH2 3.29Å; E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 VanDerWaalsContact O-CG 3.28Å; E14-Q18 WeakPolarHBondContact O-CG 3.35Å; E14-Q18 PolarHBondContact O-N 2.76Å; E14-Q18 VanDerWaalsContact O-N 3.08Å; E14-Q18 PolarHBondContact O-NE2 2.92Å; E14-Q18 PolarHBondContact OE2-NE2 3.1Å; E14-W246 HydrophobicContact CB-CH2 4.03Å
15F98.1Very high96Very high6 Ų653.8 Ų53.83%0.02626%0.262CS..Hα-helixtrans-57.9-52.6171.4166.6-101.2000111V11 R17 Q18 Y19 F33 F112 L114 V126V11-F15 VanDerWaalsContact O-CB 3.23Å; V11-F15 WeakPolarHBondContact O-CB 3.5Å; V11-F15 PolarHBondContact O-N 3.05Å; F15-R17 PolarHBondContact O-N 2.71Å; F15-Q18 PolarHBondContact O-N 3.26Å; F15-Q18 VanDerWaalsContact O-N 3.12Å; F15-Y19 HydrophobicContact CE2-CD2 4.15Å; F15-Y19 AromaticContact CZ-CD2 3.73Å; F15-Y19 HydrophobicContact CZ-CD2 3.73Å; F15-Y19 HydrophobicContact CZ-CG 4.04Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 3.03Å; F15-F33 HydrophobicContact CD2-CD1 4.45Å; F15-F33 HydrophobicContact CD2-CE1 4.46Å; F15-F33 HydrophobicContact CE2-CD1 4.09Å; F15-F33 HydrophobicContact CE2-CE1 4.41Å; F15-F33 HydrophobicContact CE2-CG 4.33Å; F15-F112 HydrophobicContact CE1-CB 4.17Å; F15-F112 AromaticContact CE1-CD1 3.62Å; F15-F112 HydrophobicContact CE1-CD1 3.62Å; F15-F112 AromaticContact CE1-CD2 3.72Å; F15-F112 HydrophobicContact CE1-CD2 3.72Å; F15-F112 AromaticContact CE1-CE1 3.73Å; F15-F112 HydrophobicContact CE1-CE1 3.73Å; F15-F112 AromaticContact CE1-CE2 3.83Å; F15-F112 HydrophobicContact CE1-CE2 3.83Å; F15-F112 AromaticContact CE1-CG 3.58Å; F15-F112 HydrophobicContact CE1-CG 3.58Å; F15-F112 AromaticContact CE1-CZ 3.8Å; F15-F112 HydrophobicContact CE1-CZ 3.8Å; F15-F112 AromaticContact CZ-CD1 3.7Å; F15-F112 HydrophobicContact CZ-CD1 3.7Å; F15-F112 AromaticContact CZ-CE1 3.67Å; F15-F112 HydrophobicContact CZ-CE1 3.67Å; F15-F112 HydrophobicContact CZ-CG 4.15Å; F15-F112 HydrophobicContact CZ-CZ 4.09Å; F15-L114 HydrophobicContact CB-CD1 3.93Å; F15-L114 HydrophobicContact CD1-CD1 4.01Å; F15-L114 HydrophobicContact CD1-CD2 3.96Å; F15-L114 HydrophobicContact CD1-CG 4.48Å; F15-L114 HydrophobicContact CD2-CD1 4.48Å; F15-L114 HydrophobicContact CD2-CD2 3.99Å; F15-L114 HydrophobicContact CE1-CD2 3.98Å; F15-L114 HydrophobicContact CE2-CD2 4.01Å; F15-L114 HydrophobicContact CG-CD1 3.84Å; F15-L114 HydrophobicContact CG-CD2 3.97Å; F15-L114 HydrophobicContact CZ-CD2 4.01Å; F15-V126 HydrophobicContact CD2-CG2 4.46Å; F15-V126 HydrophobicContact CE1-CG2 4.49Å; F15-V126 HydrophobicContact CE2-CG2 3.38Å; F15-V126 HydrophobicContact CZ-CG2 3.42Å; F15-V126 VanDerWaalsContact CZ-CG2 3.42Å
16V98.4Very high96.5Very high6 Ų648.8 Ų48.84%0.03625%0.245CC..Hα-helixtrans-56.6-48178.9158.40000111.6G12 R13 Q18 Y19 Y20 I77 V80 V92 V94G12-V16 VanDerWaalsContact O-CB 3.31Å; G12-V16 WeakPolarHBondContact O-CB 3.43Å; G12-V16 VanDerWaalsContact O-CG2 3.29Å; G12-V16 WeakPolarHBondContact O-CG2 3.21Å; G12-V16 PolarHBondContact O-N 3.23Å; R13-V16 PolarHBondContact O-N 3.47Å; V16-Q18 VanDerWaalsContact C-N 3.26Å; V16-Q18 PolarHBondContact O-N 2.86Å; V16-Y19 PolarHBondContact O-N 3.24Å; V16-Y20 HydrophobicContact CG1-CD2 3.95Å; V16-Y20 HydrophobicContact CG1-CE2 3.83Å; V16-Y20 VanDerWaalsContact O-CD2 3.22Å; V16-Y20 WeakPolarHBondContact O-CD2 3.11Å; V16-Y20 PolarHBondContact O-N 3.01Å; V16-I77 HydrophobicContact CG1-CG1 4.34Å; V16-I77 HydrophobicContact CG1-CG2 4.33Å; V16-V80 HydrophobicContact CB-CG2 4.49Å; V16-V80 HydrophobicContact CG1-CG2 3.88Å; V16-V80 HydrophobicContact CG2-CG1 4.1Å; V16-V80 HydrophobicContact CG2-CG2 4.46Å; V16-V92 HydrophobicContact CG2-CG1 3.8Å; V16-V94 HydrophobicContact CG2-CG2 3.53Å
17R97.8Very high96.7Very high113 Ų11347.5 Ų47.543%0.42624%0.237SC..Hα-helixtrans-55.3-44.1177.4-171.9-171.163.168.4-1.4111.2R13 E14 F15 T21R13-R17 WeakPolarHBondContact O-CB 3.22Å; R13-R17 PolarHBondContact O-N 3.07Å; E14-R17 PolarHBondContact O-N 2.65Å; E14-R17 IonicContact OE1-CZ 3.93Å; E14-R17 IonicContact OE1-NE 3.13Å; E14-R17 PolarHBondContact OE1-NE 3.15Å; E14-R17 IonicContact OE1-NH2 2.76Å; E14-R17 IonicContact OE2-CZ 2.81Å; E14-R17 IonicContact OE2-NE 2.67Å; E14-R17 PolarHBondContact OE2-NE 3.17Å; E14-R17 IonicContact OE2-NH2 2.83Å; E14-R17 PolarHBondContact OE2-NH2 3.29Å; F15-R17 PolarHBondContact O-N 2.71Å; R17-T21 VanDerWaalsContact O-CB 3.23Å; R17-T21 WeakPolarHBondContact O-CB 3.27Å; R17-T21 PolarHBondContact O-N 2.74Å; R17-T21 PolarHBondContact O-OG1 3.33Å
18Q96.7Very high96.7Very high28 Ų2848.5 Ų48.513%0.13124%0.237CC..Hα-helixtrans-77.4-38.9-177-68.5174.14700113E14 F15 V16 T21 L22 F33E14-Q18 WeakPolarHBondContact O-CB 3.46Å; E14-Q18 VanDerWaalsContact O-CG 3.28Å; E14-Q18 WeakPolarHBondContact O-CG 3.35Å; E14-Q18 PolarHBondContact O-N 2.76Å; E14-Q18 VanDerWaalsContact O-N 3.08Å; E14-Q18 PolarHBondContact O-NE2 2.92Å; E14-Q18 PolarHBondContact OE2-NE2 3.1Å; F15-Q18 PolarHBondContact O-N 3.26Å; F15-Q18 VanDerWaalsContact O-N 3.12Å; V16-Q18 VanDerWaalsContact C-N 3.26Å; V16-Q18 PolarHBondContact O-N 2.86Å; Q18-T21 PolarHBondContact O-N 3.2Å; Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 PolarHBondContact O-N 2.97Å; Q18-F33 HydrophobicContact CB-CZ 4.24Å
19Y98.4Very high96.7Very high0 Ų050.7 Ų50.70%024%0.242CC..Hα-helixtrans-54.9-56.8177.8-178.7-92.8000111F15 V16 L22 L23 L30 F33 Y34 F112 D129F15-Y19 HydrophobicContact CE2-CD2 4.15Å; F15-Y19 AromaticContact CZ-CD2 3.73Å; F15-Y19 HydrophobicContact CZ-CD2 3.73Å; F15-Y19 HydrophobicContact CZ-CG 4.04Å; F15-Y19 WeakPolarHBondContact O-CB 3.41Å; F15-Y19 PolarHBondContact O-N 3.03Å; V16-Y19 PolarHBondContact O-N 3.24Å; Y19-L22 PolarHBondContact O-N 3.47Å; Y19-L23 WeakPolarHBondContact O-CB 3.49Å; Y19-L23 PolarHBondContact O-N 3.29Å; Y19-L30 HydrophobicContact CD2-CD1 3.91Å; Y19-L30 HydrophobicContact CE2-CD1 3.78Å; Y19-L30 HydrophobicContact CE2-CD2 4.02Å; Y19-L30 HydrophobicContact CE2-CG 3.99Å; Y19-L30 HydrophobicContact CG-CD1 4.44Å; Y19-F33 HydrophobicContact CD2-CD2 4.1Å; Y19-F33 HydrophobicContact CD2-CE2 4.34Å; Y19-Y34 WeakPolarHBondContact CE2-OH 3.12Å; Y19-Y34 PolarHBondContact OH-OH 3.29Å; Y19-F112 HydrophobicContact CD1-CE1 4.4Å; Y19-F112 AromaticContact CD1-CZ 3.8Å; Y19-F112 HydrophobicContact CD1-CZ 3.8Å; Y19-F112 HydrophobicContact CD2-CE1 4.09Å; Y19-F112 HydrophobicContact CD2-CZ 4.26Å; Y19-F112 HydrophobicContact CE1-CE1 4.2Å; Y19-F112 AromaticContact CE1-CZ 3.78Å; Y19-F112 HydrophobicContact CE1-CZ 3.78Å; Y19-F112 AromaticContact CE2-CE1 3.87Å; Y19-F112 HydrophobicContact CE2-CE1 3.87Å; Y19-F112 HydrophobicContact CE2-CZ 4.24Å; Y19-F112 HydrophobicContact CG-CE1 4.36Å; Y19-F112 HydrophobicContact CG-CZ 4.06Å; Y19-F112 AromaticContact CZ-CE1 3.94Å; Y19-D129 PolarHBondContact OH-OD2 2.82Å
20Y97.9Very high96.7Very high8 Ų847.5 Ų47.53%0.03123%0.226CC..Hα-helixtrans-74.3-29-179.6-58.4-68.2000113.6V16 L22 L23 N24 T75 I77 V94 F108 Q110V16-Y20 HydrophobicContact CG1-CD2 3.95Å; V16-Y20 HydrophobicContact CG1-CE2 3.83Å; V16-Y20 VanDerWaalsContact O-CD2 3.22Å; V16-Y20 WeakPolarHBondContact O-CD2 3.11Å; V16-Y20 PolarHBondContact O-N 3.01Å; Y20-L22 VanDerWaalsContact C-N 3.27Å; Y20-L22 PolarHBondContact O-N 3.06Å; Y20-L23 HydrophobicContact CD1-CD2 3.93Å; Y20-L23 PolarHBondContact O-N 3.22Å; Y20-N24 PolarHBondContact O-N 2.73Å; Y20-N24 VanDerWaalsContact O-N 3.09Å; Y20-T75 WeakPolarHBondContact CB-OG1 3.4Å; Y20-T75 HydrophobicContact CD1-CG2 3.72Å; Y20-T75 HydrophobicContact CE1-CG2 4.4Å; Y20-T75 HydrophobicContact CG-CG2 4.17Å; Y20-I77 HydrophobicContact CD2-CD1 3.51Å; Y20-I77 HydrophobicContact CD2-CG1 4.02Å; Y20-I77 HydrophobicContact CE1-CD1 4.49Å; Y20-I77 HydrophobicContact CE2-CD1 3.33Å; Y20-I77 HydrophobicContact CE2-CG1 4.14Å; Y20-I77 HydrophobicContact CG-CD1 4.17Å; Y20-V94 HydrophobicContact CE2-CG1 4.13Å; Y20-F108 HydrophobicContact CE1-CZ 4.21Å; Y20-F108 AromaticContact CZ-CZ 3.89Å; Y20-F108 VanDerWaalsContact OH-CE2 3.25Å; Y20-F108 WeakPolarHBondContact OH-CE2 3.37Å; Y20-F108 WeakPolarHBondContact OH-CZ 3.46Å; Y20-Q110 PolarHBondContact OH-OE1 3.48Å
21T96.5Very high96.7Very high60 Ų6044.9 Ų44.937%0.36821%0.211SC..Hα-helixtrans-61.3-38.6170.4-63.10000111.1R17 Q18 K25R17-T21 VanDerWaalsContact O-CB 3.23Å; R17-T21 WeakPolarHBondContact O-CB 3.27Å; R17-T21 PolarHBondContact O-N 2.74Å; R17-T21 PolarHBondContact O-OG1 3.33Å; Q18-T21 PolarHBondContact O-N 3.2Å; T21-K25 HydrophobicContact CG2-CD 4.13Å; T21-K25 WeakPolarHBondContact O-CB 3.13Å; T21-K25 WeakPolarHBondContact O-CG 3.17Å; T21-K25 PolarHBondContact O-N 3.27Å; T21-K25 VanDerWaalsContact O-N 3.15Å
22L96.7Very high96.7Very high46 Ų4649.9 Ų49.924%0.24123%0.229CC..Hα-helixtrans-77.7-38.1178.1-167.863.9000112Q18 Y19 Y20 N24 K25 A26 F29 L30 F33Q18-L22 WeakPolarHBondContact O-CB 3.47Å; Q18-L22 PolarHBondContact O-N 2.97Å; Y19-L22 PolarHBondContact O-N 3.47Å; Y20-L22 VanDerWaalsContact C-N 3.27Å; Y20-L22 PolarHBondContact O-N 3.06Å; L22-N24 VanDerWaalsContact C-N 3.25Å; L22-N24 PolarHBondContact O-N 2.94Å; L22-K25 PolarHBondContact O-N 2.84Å; L22-A26 HydrophobicContact CD1-CB 4.06Å; L22-A26 CarbonylContact O-C 3.57Å; L22-A26 PolarHBondContact O-N 2.83Å; L22-F29 HydrophobicContact CD1-CB 4.35Å; L22-F29 HydrophobicContact CD2-CB 4.22Å; L22-L30 HydrophobicContact CB-CD1 4.36Å; L22-F33 HydrophobicContact CB-CE2 4.3Å; L22-F33 HydrophobicContact CD2-CD2 4.3Å; L22-F33 HydrophobicContact CD2-CE2 3.63Å; L22-F33 HydrophobicContact CD2-CZ 4.29Å
23L96.4Very high96.7Very high1 Ų151 Ų511%0.00523%0.234CC..Hα-helixtrans-55.8-40174.2-172.469.8000112.2Y19 Y20 L30 F70 C73 L98Y19-L23 WeakPolarHBondContact O-CB 3.49Å; Y19-L23 PolarHBondContact O-N 3.29Å; Y20-L23 HydrophobicContact CD1-CD2 3.93Å; Y20-L23 PolarHBondContact O-N 3.22Å; L23-L30 HydrophobicContact CB-CD1 4.27Å; L23-L30 HydrophobicContact CD1-CD1 4.48Å; L23-L30 HydrophobicContact CD1-CD2 3.68Å; L23-F70 HydrophobicContact CD1-CB 4.5Å; L23-F70 HydrophobicContact CD1-CD1 3.91Å; L23-F70 HydrophobicContact CD1-CD2 3.75Å; L23-F70 HydrophobicContact CD1-CE1 3.98Å; L23-F70 HydrophobicContact CD1-CE2 3.81Å; L23-F70 HydrophobicContact CD1-CG 3.79Å; L23-F70 HydrophobicContact CD1-CZ 3.93Å; L23-F70 HydrophobicContact CD2-CE1 4.4Å; L23-F70 HydrophobicContact CG-CD1 4.25Å; L23-F70 HydrophobicContact CG-CE1 4.47Å; L23-F70 HydrophobicContact CG-CG 4.44Å; L23-C73 HydrophobicContact CG-CB 4.45Å; L23-L98 HydrophobicContact CD2-CD1 4.06Å
24N94.4Very high96.8Very high59 Ų5944.4 Ų44.432%0.31621%0.209SC..Hα-helixtrans-71.3-52.4173.7-174.8-49.2000112Y20 L22 C73Y20-N24 PolarHBondContact O-N 2.73Å; Y20-N24 VanDerWaalsContact O-N 3.09Å; L22-N24 VanDerWaalsContact C-N 3.25Å; L22-N24 PolarHBondContact O-N 2.94Å; N24-C73 VanDerWaalsContact CB-O 3.23Å; N24-C73 WeakPolarHBondContact CB-O 3.21Å; N24-C73 VanDerWaalsContact CG-O 3.23Å; N24-C73 PolarHBondContact ND2-O 2.83Å
25K95.1Very high96.7Very high166 Ų16642.8 Ų42.872%0.72221%0.206SC*.Hα-helixtrans-86-30.1-165.2-68.6-173.5176.5-170.40116T21 L22T21-K25 HydrophobicContact CG2-CD 4.13Å; T21-K25 WeakPolarHBondContact O-CB 3.13Å; T21-K25 WeakPolarHBondContact O-CG 3.17Å; T21-K25 PolarHBondContact O-N 3.27Å; T21-K25 VanDerWaalsContact O-N 3.15Å; L22-K25 PolarHBondContact O-N 2.84Å
26A95.8Very high96.5Very high24 Ų2452.7 Ų52.720%0.19824%0.243CC..  trans-164.170.2-177.200000110.7L22 D28 F29L22-A26 HydrophobicContact CD1-CB 4.06Å; L22-A26 CarbonylContact O-C 3.57Å; L22-A26 PolarHBondContact O-N 2.83Å; A26-D28 PolarHBondContact O-N 2.78Å; A26-D28 VanDerWaalsContact O-N 3.12Å; A26-F29 HydrophobicContact CB-CD2 3.75Å; A26-F29 HydrophobicContact CB-CE2 4.29Å; A26-F29 PolarHBondContact O-N 3Å
27P95Very high96.4Very high14 Ų1458.4 Ų58.49%0.09127%0.273CS..G310 helixtrans-58-26.2-178.223.7-33.9000112.9F29 L30 V65 M66 F70P27-F29 PolarHBondContact O-N 2.98Å; P27-F29 VanDerWaalsContact O-N 3.1Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.47Å; P27-V65 HydrophobicContact CB-CG1 4.35Å; P27-M66 HydrophobicContact CB-CE 4.38Å; P27-F70 HydrophobicContact CB-CB 3.8Å; P27-F70 HydrophobicContact CB-CD2 4.36Å; P27-F70 HydrophobicContact CB-CG 4.47Å; P27-F70 HydrophobicContact CG-CB 3.87Å
28D95.4Very high96.4Very high85 Ų8553 Ų5346%0.45525%0.253SS..G310 helixtrans-46.4-38171.2-50.32.8000112.6A26 H31 M66A26-D28 PolarHBondContact O-N 2.78Å; A26-D28 VanDerWaalsContact O-N 3.12Å; D28-H31 PolarHBondContact O-CE1 3.37Å; D28-H31 VanDerWaalsContact O-CE1 3.23Å; D28-H31 PolarHBondContact O-ND1 2.9Å; D28-M66 VanDerWaalsContact CA-CE 3.48Å; D28-M66 HydrophobicContact CB-CE 4.37Å
29F96.9Very high96.5Very high88 Ų8852.4 Ų52.439%0.38625%0.252SS..G310 helixtrans-93.1-3.5-178.3-59.4-49.9000114.2L22 A26 P27 H31 R32L22-F29 HydrophobicContact CD1-CB 4.35Å; L22-F29 HydrophobicContact CD2-CB 4.22Å; A26-F29 HydrophobicContact CB-CD2 3.75Å; A26-F29 HydrophobicContact CB-CE2 4.29Å; A26-F29 PolarHBondContact O-N 3Å; P27-F29 PolarHBondContact O-N 2.98Å; P27-F29 VanDerWaalsContact O-N 3.1Å; F29-H31 PolarHBondContact O-N 2.9Å; F29-R32 VanDerWaalsContact O-CB 3.26Å; F29-R32 WeakPolarHBondContact O-CB 3.2Å; F29-R32 WeakPolarHBondContact O-CG 3.41Å; F29-R32 PolarHBondContact O-N 2.96Å
30L96.9Very high96.5Very high0 Ų052.5 Ų52.50%025%0.253CS..G310 helixtrans-58.2-33.5-179.6-162.379.4000112.1Y19 L22 L23 P27 R32 F33 Y34 V65Y19-L30 HydrophobicContact CD2-CD1 3.91Å; Y19-L30 HydrophobicContact CE2-CD1 3.78Å; Y19-L30 HydrophobicContact CE2-CD2 4.02Å; Y19-L30 HydrophobicContact CE2-CG 3.99Å; Y19-L30 HydrophobicContact CG-CD1 4.44Å; L22-L30 HydrophobicContact CB-CD1 4.36Å; L23-L30 HydrophobicContact CB-CD1 4.27Å; L23-L30 HydrophobicContact CD1-CD1 4.48Å; L23-L30 HydrophobicContact CD1-CD2 3.68Å; P27-L30 WeakPolarHBondContact O-CB 3.46Å; P27-L30 PolarHBondContact O-N 3.47Å; L30-R32 PolarHBondContact O-N 3.2Å; L30-F33 HydrophobicContact CD1-CD2 4.09Å; L30-F33 HydrophobicContact CD1-CE2 4.16Å; L30-F33 HydrophobicContact CG-CD2 4.48Å; L30-F33 PolarHBondContact O-N 2.81Å; L30-F33 VanDerWaalsContact O-N 3.08Å; L30-Y34 HydrophobicContact CG-CE2 4.45Å; L30-Y34 WeakPolarHBondContact O-CD2 3.49Å; L30-Y34 WeakPolarHBondContact O-CE2 3.27Å; L30-V65 HydrophobicContact CB-CG1 4.35Å; L30-V65 HydrophobicContact CD2-CG1 4.07Å; L30-V65 HydrophobicContact CD2-CG2 4.06Å
31H96.8Very high96.4Very high38 Ų3852.7 Ų52.718%0.17626%0.255CS..G310 helixtrans-54.9-21.717675-98.3000113.7D28 F29 F33 Y34 Q58 H62D28-H31 PolarHBondContact O-CE1 3.37Å; D28-H31 VanDerWaalsContact O-CE1 3.23Å; D28-H31 PolarHBondContact O-ND1 2.9Å; F29-H31 PolarHBondContact O-N 2.9Å; H31-F33 PolarHBondContact O-N 2.94Å; H31-Y34 PolarHBondContact O-N 2.8Å; H31-Y34 VanDerWaalsContact O-N 3.17Å; H31-Q58 HydrophobicContact CB-CG 4.37Å; H31-Q58 WeakPolarHBondContact O-CG 3.3Å; H31-Q58 PolarHBondContact O-NE2 2.83Å; H31-H62 HydrophobicContact CB-CB 3.67Å; H31-H62 AromaticContact CG-CD2 3.8Å; H31-H62 AromaticContact ND1-CD2 3.23Å; H31-H62 PolarHBondContact ND1-CD2 3.2Å; H31-H62 AromaticContact ND1-CG 3.87Å; H31-H62 AromaticContact ND1-NE2 3.81Å
32R96.2Very high96.3Very high112 Ų11250.1 Ų50.142%0.42324%0.238SC..G310 helixtrans-70-16.7179.7-63.3-179.6175.9173.90.1113.8F29 L30 Y34F29-R32 VanDerWaalsContact O-CB 3.26Å; F29-R32 WeakPolarHBondContact O-CB 3.2Å; F29-R32 WeakPolarHBondContact O-CG 3.41Å; F29-R32 PolarHBondContact O-N 2.96Å; L30-R32 PolarHBondContact O-N 3.2Å; R32-Y34 VanDerWaalsContact C-N 3.26Å
33F97.3Very high95.8Very high24 Ų2448 Ų4811%0.10523%0.227CC..G310 helixtrans-73.3-16.1171.7-73.3-62.6000113.4F15 Q18 Y19 L22 L30 H31 Y125 V126F15-F33 HydrophobicContact CD2-CD1 4.45Å; F15-F33 HydrophobicContact CD2-CE1 4.46Å; F15-F33 HydrophobicContact CE2-CD1 4.09Å; F15-F33 HydrophobicContact CE2-CE1 4.41Å; F15-F33 HydrophobicContact CE2-CG 4.33Å; Q18-F33 HydrophobicContact CB-CZ 4.24Å; Y19-F33 HydrophobicContact CD2-CD2 4.1Å; Y19-F33 HydrophobicContact CD2-CE2 4.34Å; L22-F33 HydrophobicContact CB-CE2 4.3Å; L22-F33 HydrophobicContact CD2-CD2 4.3Å; L22-F33 HydrophobicContact CD2-CE2 3.63Å; L22-F33 HydrophobicContact CD2-CZ 4.29Å; L30-F33 HydrophobicContact CD1-CD2 4.09Å; L30-F33 HydrophobicContact CD1-CE2 4.16Å; L30-F33 HydrophobicContact CG-CD2 4.48Å; L30-F33 PolarHBondContact O-N 2.81Å; L30-F33 VanDerWaalsContact O-N 3.08Å; H31-F33 PolarHBondContact O-N 2.94Å; F33-Y125 CarbonylContact O-C 3.55Å; F33-Y125 WeakPolarHBondContact O-CA 3.32Å; F33-V126 HydrophobicContact CB-CG2 3.98Å; F33-V126 PolarHBondContact O-N 3.44Å
34Y98.1Very high95.2Very high4 Ų449 Ų492%0.01624%0.238CC..EExtended strand (participates in β ladder)trans-106.6150.2-170.4-54.8-95.3000112.4Y19 L30 H31 R32 Y40 Q58 I61 V126 D129Y19-Y34 WeakPolarHBondContact CE2-OH 3.12Å; Y19-Y34 PolarHBondContact OH-OH 3.29Å; L30-Y34 HydrophobicContact CG-CE2 4.45Å; L30-Y34 WeakPolarHBondContact O-CD2 3.49Å; L30-Y34 WeakPolarHBondContact O-CE2 3.27Å; H31-Y34 PolarHBondContact O-N 2.8Å; H31-Y34 VanDerWaalsContact O-N 3.17Å; R32-Y34 VanDerWaalsContact C-N 3.26Å; Y34-Y40 AromaticContact CE1-CD2 3.89Å; Y34-Y40 HydrophobicContact CE1-CD2 3.89Å; Y34-Y40 AromaticContact CZ-CD2 3.78Å; Y34-Y40 WeakPolarHBondContact OH-CD2 3.4Å; Y34-Y40 VanDerWaalsContact OH-CE2 3.3Å; Y34-Y40 WeakPolarHBondContact OH-CE2 3.41Å; Y34-Q58 PolarHBondContact O-NE2 2.67Å; Y34-I61 HydrophobicContact CD1-CD1 3.7Å; Y34-I61 HydrophobicContact CD1-CG2 4.17Å; Y34-I61 HydrophobicContact CD2-CG2 3.78Å; Y34-I61 HydrophobicContact CE1-CD1 4.44Å; Y34-I61 HydrophobicContact CE1-CG2 4.19Å; Y34-I61 HydrophobicContact CE2-CG2 3.81Å; Y34-I61 HydrophobicContact CG-CD1 3.84Å; Y34-I61 HydrophobicContact CG-CG2 3.94Å; Y34-V126 HydrophobicContact CD1-CB 3.83Å; Y34-V126 HydrophobicContact CD1-CG1 3.82Å; Y34-V126 HydrophobicContact CE1-CB 3.97Å; Y34-V126 HydrophobicContact CE1-CG1 3.6Å; Y34-V126 HydrophobicContact CG-CB 4.47Å; Y34-D129 HydrophobicContact CE1-CB 3.84Å; Y34-D129 PolarHBondContact OH-OD2 3.4Å
35G95.3Very high94.6Very high17 Ų1750.6 Ų50.618%0.17525%0.246CC..EExtended strand (participates in β ladder)trans-96-174.3175.500000113.4N37 S38 Q58G35-N37 VanDerWaalsContact C-N 3.29Å; G35-N37 PolarHBondContact O-N 2.77Å; G35-S38 PolarHBondContact N-OG 2.91Å; G35-Q58 PolarHBondContact O-N 3.07Å
36R95.4Very high93.9Very high213 Ų21345.9 Ų45.980%0.80423%0.229SC*.EExtended strand (participates in β ladder)trans-69.1-24.6177-78.9177.3-85169.1-5.9113.9G57R36-G57 VanDerWaalsContact O-CA 3.26Å; R36-G57 WeakPolarHBondContact O-CA 3.4Å
37N95.4Very high93.2Very high126 Ų12650.5 Ų50.567%0.67427%0.267SS*.EExtended strand (participates in β ladder)trans-113.921.4-175.6-58.823.2000111.9G35 H127G35-N37 VanDerWaalsContact C-N 3.29Å; G35-N37 PolarHBondContact O-N 2.77Å; N37-H127 PolarHBondContact O-CE1 2.82Å; N37-H127 PolarHBondContact O-ND1 3.06Å
38S98.3Very high92.5Very high0 Ų053.4 Ų53.40%029%0.288CS..EExtended strand (participates in β ladder)trans-82.5147.9-178.5-61.10000112G35 Y56 G57 V126 H127G35-S38 PolarHBondContact N-OG 2.91Å; S38-Y56 WeakPolarHBondContact O-CA 3.32Å; S38-G57 PolarHBondContact O-N 2.78Å; S38-V126 VanDerWaalsContact CB-O 3.27Å; S38-V126 WeakPolarHBondContact CB-O 3.49Å; S38-V126 PolarHBondContact OG-O 2.72Å; S38-H127 CarbonylContact C-O 3.51Å; S38-H127 WeakPolarHBondContact CA-O 3.48Å
39S98.3Very high91.8Very high16 Ų1651.6 Ų51.611%0.11229%0.289CS..EExtended strand (participates in β ladder)trans-108.4138.7171.5660000111.2H127 N128 D129S39-H127 PolarHBondContact N-O 3.44Å; S39-N128 PolarHBondContact OG-ND2 3.18Å; S39-D129 PolarHBondContact O-N 3.37Å
40Y98.4Very high91.1Very high2 Ų253.8 Ų53.81%0.00830%0.298CS..EExtended strand (participates in β ladder)trans-134.4127.6178.4177.9-95.5000111.5Y34 H42 A54 V55 I61 K64 V65 L68 D129Y34-Y40 AromaticContact CE1-CD2 3.89Å; Y34-Y40 HydrophobicContact CE1-CD2 3.89Å; Y34-Y40 AromaticContact CZ-CD2 3.78Å; Y34-Y40 WeakPolarHBondContact OH-CD2 3.4Å; Y34-Y40 VanDerWaalsContact OH-CE2 3.3Å; Y34-Y40 WeakPolarHBondContact OH-CE2 3.41Å; Y40-H42 HydrophobicContact CE1-CB 3.63Å; Y40-H42 HydrophobicContact CE2-CB 4.32Å; Y40-H42 WeakPolarHBondContact OH-CB 3.23Å; Y40-A54 CarbonylContact O-C 3.57Å; Y40-A54 VanDerWaalsContact O-CA 3.28Å; Y40-A54 WeakPolarHBondContact O-CA 3.46Å; Y40-V55 HydrophobicContact CD1-CG2 4.07Å; Y40-V55 PolarHBondContact N-O 3.05Å; Y40-V55 PolarHBondContact O-N 2.76Å; Y40-I61 HydrophobicContact CD1-CG2 4.47Å; Y40-I61 HydrophobicContact CD2-CG2 4.17Å; Y40-I61 HydrophobicContact CG-CG2 3.99Å; Y40-K64 HydrophobicContact CD1-CB 4.45Å; Y40-K64 HydrophobicContact CD1-CG 3.91Å; Y40-K64 HydrophobicContact CE1-CB 4.43Å; Y40-K64 HydrophobicContact CE1-CG 3.71Å; Y40-V65 HydrophobicContact CE1-CG2 4.23Å; Y40-V65 HydrophobicContact CE2-CG2 4.34Å; Y40-L68 HydrophobicContact CE1-CD1 4.23Å; Y40-D129 WeakPolarHBondContact CA-O 3.46Å; Y40-D129 HydrophobicContact CD2-CB 3.93Å; Y40-D129 WeakPolarHBondContact CD2-OD2 3.19Å; Y40-D129 WeakPolarHBondContact CE2-OD2 3.46Å
41V96.3Very high90.3Very high12 Ų1257.1 Ų57.17%0.07332%0.32CS..EExtended strand (participates in β ladder)trans-134.9138.6166.262.30000109.5Q52 A54 D129 I130 F131V41-Q52 VanDerWaalsContact CG2-O 3.22Å; V41-Q52 WeakPolarHBondContact CG2-O 3.41Å; V41-A54 HydrophobicContact CB-CB 4.08Å; V41-D129 PolarHBondContact N-O 2.82Å; V41-I130 HydrophobicContact CG1-CB 4.17Å; V41-I130 HydrophobicContact CG1-CG1 4.32Å; V41-I130 HydrophobicContact CG1-CG2 3.87Å; V41-F131 PolarHBondContact O-N 2.79Å
42H94.1Very high89.9Confident6 Ų658.6 Ų58.63%0.02833%0.327CS..EExtended strand (participates in β ladder)trans-144.580.3-172.7-16892.1000111.2Y40 L68 F70 F131Y40-H42 HydrophobicContact CE1-CB 3.63Å; Y40-H42 HydrophobicContact CE2-CB 4.32Å; Y40-H42 WeakPolarHBondContact OH-CB 3.23Å; H42-L68 HydrophobicContact CB-CD1 4.04Å; H42-F70 AromaticContact CD2-CZ 3.89Å; H42-F70 AromaticContact NE2-CE1 3.84Å; H42-F70 AromaticContact NE2-CZ 3.52Å; H42-F131 HydrophobicContact CB-CB 4.38Å; H42-F131 AromaticContact CD2-CD1 3.98Å; H42-F131 AromaticContact CE1-CD1 3.54Å; H42-F131 AromaticContact CE1-CD2 3.43Å; H42-F131 VanDerWaalsContact CE1-CD2 3.43Å; H42-F131 WeakPolarHBondContact CE1-CD2 3.18Å; H42-F131 AromaticContact CE1-CE1 3.69Å; H42-F131 AromaticContact CE1-CE2 3.57Å; H42-F131 AromaticContact CE1-CG 3.43Å; H42-F131 VanDerWaalsContact CE1-CG 3.43Å; H42-F131 WeakPolarHBondContact CE1-CG 3.09Å; H42-F131 AromaticContact CE1-CZ 3.7Å; H42-F131 AromaticContact CG-CD1 3.8Å; H42-F131 AromaticContact CG-CG 3.98Å; H42-F131 WeakPolarHBondContact ND1-CB 3.49Å; H42-F131 AromaticContact ND1-CD1 3.52Å; H42-F131 AromaticContact ND1-CD2 3.67Å; H42-F131 AromaticContact ND1-CG 3.27Å; H42-F131 VanDerWaalsContact ND1-CG 3.27Å; H42-F131 WeakPolarHBondContact ND1-CG 3.28Å; H42-F131 AromaticContact NE2-CD1 3.85Å; H42-F131 AromaticContact NE2-CE1 3.72Å; H42-F131 AromaticContact NE2-CZ 3.9Å
43G86.8Confident89.6Confident1 Ų161.5 Ų61.51%0.0135%0.345CS..SBendtrans57.3-156.5-17800000113.6F131 R132 E136G43-F131 PolarHBondContact N-O 3.47Å; G43-R132 PolarHBondContact O-NH1 2.98Å; G43-E136 VanDerWaalsContact C-OE2 3.3Å; G43-E136 WeakPolarHBondContact CA-OE2 3.46Å
44G82.7Confident89.5Confident23 Ų2361.7 Ų61.724%0.23735%0.351CS..  trans78.7143.4175.900000113.9Q52 E136G44-Q52 WeakPolarHBondContact O-CB 3.36Å; G44-Q52 PolarHBondContact O-N 3.38Å; G44-E136 VanDerWaalsContact N-CD 3.35Å; G44-E136 PolarHBondContact N-OE1 2.76Å; G44-E136 PolarHBondContact N-OE2 3.06Å
45L82.1Confident89.4Confident92 Ų9263.3 Ų63.348%0.48236%0.362SS..BIsolated β-bridgetrans-99.7153.7168.4-54.5-178000110.1K50 P51L45-K50 CarbonylContact C-O 3.53Å; L45-K50 VanDerWaalsContact CA-O 3.29Å; L45-K50 WeakPolarHBondContact CA-O 3.27Å; L45-P51 HydrophobicContact CD2-CG 4.36Å
46D81.3Confident89.6Confident67 Ų6769.7 Ų69.736%0.35838%0.382SS..  trans-86.2179.6170.57512.7000112.2S48 G49 K50D46-S48 PolarHBondContact O-N 2.92Å; D46-S48 VanDerWaalsContact OD1-CA 3.26Å; D46-S48 WeakPolarHBondContact OD1-CA 3.34Å; D46-S48 WeakPolarHBondContact OD1-CB 3.27Å; D46-S48 PolarHBondContact OD1-N 2.92Å; D46-S48 PolarHBondContact OD1-OG 2.95Å; D46-S48 PolarHBondContact OD2-OG 2.98Å; D46-G49 PolarHBondContact O-N 2.93Å; D46-G49 PolarHBondContact OD1-N 2.87Å; D46-K50 PolarHBondContact N-O 3.42Å; D46-K50 PolarHBondContact OD1-N 3.46Å
47A79.9Confident89.6Confident120 Ų12059.9 Ų59.999%0.99235%0.347SS*.THydrogen-bonded Turntrans-67.91.1179.300000114.5
48S81.5Confident89.7Confident76 Ų7655.8 Ų55.853%0.53132%0.324SS..THydrogen-bonded Turntrans-112.711.9171.474.60000113.1D46 K50D46-S48 PolarHBondContact O-N 2.92Å; D46-S48 VanDerWaalsContact OD1-CA 3.26Å; D46-S48 WeakPolarHBondContact OD1-CA 3.34Å; D46-S48 WeakPolarHBondContact OD1-CB 3.27Å; D46-S48 PolarHBondContact OD1-N 2.92Å; D46-S48 PolarHBondContact OD1-OG 2.95Å; D46-S48 PolarHBondContact OD2-OG 2.98Å; S48-K50 VanDerWaalsContact C-N 3.29Å; S48-K50 PolarHBondContact O-N 3.1Å
49G79.4Confident89.7Confident47 Ų4759.7 Ų59.749%0.48536%0.356SS..SBendtrans76.49.7-178.600000114.2D46D46-G49 PolarHBondContact O-N 2.93Å; D46-G49 PolarHBondContact OD1-N 2.87Å
50K82Confident89.6Confident133 Ų13364 Ų6458%0.57837%0.374SS*.PPolyproline II helixtrans-95.6145.7-174-67.4177.7-175.6171.70112.2L45 D46 S48 Q52L45-K50 CarbonylContact C-O 3.53Å; L45-K50 VanDerWaalsContact CA-O 3.29Å; L45-K50 WeakPolarHBondContact CA-O 3.27Å; D46-K50 PolarHBondContact N-O 3.42Å; D46-K50 PolarHBondContact OD1-N 3.46Å; S48-K50 VanDerWaalsContact C-N 3.29Å; S48-K50 PolarHBondContact O-N 3.1Å; K50-Q52 PolarHBondContact O-N 2.83Å
51P82Confident89.6Confident71 Ų7163.9 Ų63.946%0.46137%0.374SS..BIsolated β-bridgetrans-56.9122.6178.2-2534.1000111.9L45 R132L45-P51 HydrophobicContact CD2-CG 4.36Å; P51-R132 VanDerWaalsContact CB-CZ 3.48Å
52Q86.8Confident89.7Confident68 Ų6866.6 Ų66.632%0.31839%0.386SS..PPolyproline II helixtrans-57144.7-169.5-174.8163.951.100112.8V41 G44 K50 R132V41-Q52 VanDerWaalsContact CG2-O 3.22Å; V41-Q52 WeakPolarHBondContact CG2-O 3.41Å; G44-Q52 WeakPolarHBondContact O-CB 3.36Å; G44-Q52 PolarHBondContact O-N 3.38Å; K50-Q52 PolarHBondContact O-N 2.83Å; Q52-R132 PolarHBondContact O-NH1 3.06Å; Q52-R132 PolarHBondContact O-NH2 3.03Å
53E89.8Confident89.9Confident173 Ų17374.2 Ų74.281%0.80842%0.419SS*.PPolyproline II helixtrans-67160.3176.3-63.2-167.2151.900113.1
54A95.1Very high90.3Very high28 Ų2875.7 Ų75.723%0.23143%0.425CS..PPolyproline II helixtrans-78.7143.7176.300000112.1Y40 V41 Y56Y40-A54 CarbonylContact O-C 3.57Å; Y40-A54 VanDerWaalsContact O-CA 3.28Å; Y40-A54 WeakPolarHBondContact O-CA 3.46Å; V41-A54 HydrophobicContact CB-CB 4.08Å; A54-Y56 HydrophobicContact CB-CE2 4.35Å; A54-Y56 WeakPolarHBondContact O-CD2 3.37Å; A54-Y56 WeakPolarHBondContact O-CE2 3.37Å
55V97.1Very high90.9Very high38 Ų3874.7 Ų74.723%0.2341%0.414CS..EExtended strand (participates in β ladder)trans-94.6155.9169-60.10000110.8Y40 E60 I61 K64Y40-V55 HydrophobicContact CD1-CG2 4.07Å; Y40-V55 PolarHBondContact N-O 3.05Å; Y40-V55 PolarHBondContact O-N 2.76Å; V55-E60 HydrophobicContact CB-CB 4.06Å; V55-E60 HydrophobicContact CG2-CB 4.44Å; V55-I61 HydrophobicContact CG2-CG1 4.14Å; V55-K64 HydrophobicContact CG2-CB 3.9Å; V55-K64 HydrophobicContact CG2-CG 4.19Å
56Y98.1Very high91.6Very high151 Ų15173.4 Ų73.459%0.59241%0.407SS*.EExtended strand (participates in β ladder)trans-125.9129.4-168.7-65.1-87.1000113.7S38 A54 E60S38-Y56 WeakPolarHBondContact O-CA 3.32Å; A54-Y56 HydrophobicContact CB-CE2 4.35Å; A54-Y56 WeakPolarHBondContact O-CD2 3.37Å; A54-Y56 WeakPolarHBondContact O-CE2 3.37Å; Y56-E60 PolarHBondContact N-OE2 2.99Å; Y56-E60 VanDerWaalsContact N-OE2 3.1Å; Y56-E60 WeakPolarHBondContact O-CG 3.2Å
57G96.8Very high92.2Very high8 Ų874 Ų748%0.08242%0.416CS..SBendtrans80.5146.3175.800000114.3R36 S38 A59 E60 I61R36-G57 VanDerWaalsContact O-CA 3.26Å; R36-G57 WeakPolarHBondContact O-CA 3.4Å; S38-G57 PolarHBondContact O-N 2.78Å; G57-A59 PolarHBondContact O-N 2.67Å; G57-E60 PolarHBondContact O-N 2.77Å; G57-I61 WeakPolarHBondContact O-CG1 3.23Å; G57-I61 PolarHBondContact O-N 3.22Å; G57-I61 VanDerWaalsContact O-N 3.08Å
58Q97.4Very high92.8Very high40 Ų4070.4 Ų70.419%0.18738%0.38CS..Hα-helixtrans-42.6-36.8-172.1-178.4168.959.700116.5H31 Y34 G35 H62H31-Q58 HydrophobicContact CB-CG 4.37Å; H31-Q58 WeakPolarHBondContact O-CG 3.3Å; H31-Q58 PolarHBondContact O-NE2 2.83Å; Y34-Q58 PolarHBondContact O-NE2 2.67Å; G35-Q58 PolarHBondContact O-N 3.07Å; Q58-H62 WeakPolarHBondContact O-CB 3.49Å; Q58-H62 PolarHBondContact O-N 3.02Å
59A97.4Very high93.3Very high82 Ų8274.2 Ų74.268%0.67839%0.389SS*.Hα-helixtrans-72.7-40.9-179.200000113.3G57 K63G57-A59 PolarHBondContact O-N 2.67Å; A59-K63 PolarHBondContact O-N 3.19Å; A59-K63 VanDerWaalsContact O-N 3.14Å
60E97.6Very high94Very high105 Ų10573 Ų7349%0.49137%0.37SS..Hα-helixtrans-72.6-38.8175-58.7-163.2153.800111.1V55 Y56 G57 H62 K63 K64V55-E60 HydrophobicContact CB-CB 4.06Å; V55-E60 HydrophobicContact CG2-CB 4.44Å; Y56-E60 PolarHBondContact N-OE2 2.99Å; Y56-E60 VanDerWaalsContact N-OE2 3.1Å; Y56-E60 WeakPolarHBondContact O-CG 3.2Å; G57-E60 PolarHBondContact O-N 2.77Å; E60-H62 VanDerWaalsContact C-N 3.33Å; E60-H62 PolarHBondContact O-N 2.9Å; E60-K63 PolarHBondContact O-N 3.41Å; E60-K64 WeakPolarHBondContact O-CB 3.28Å; E60-K64 PolarHBondContact O-N 3.34Å
61I98.1Very high94.5Very high0 Ų069.3 Ų69.30%036%0.362CS..Hα-helixtrans-58.9-46.2174.5-60173.3000110Y34 Y40 V55 G57 K63 K64 V65Y34-I61 HydrophobicContact CD1-CD1 3.7Å; Y34-I61 HydrophobicContact CD1-CG2 4.17Å; Y34-I61 HydrophobicContact CD2-CG2 3.78Å; Y34-I61 HydrophobicContact CE1-CD1 4.44Å; Y34-I61 HydrophobicContact CE1-CG2 4.19Å; Y34-I61 HydrophobicContact CE2-CG2 3.81Å; Y34-I61 HydrophobicContact CG-CD1 3.84Å; Y34-I61 HydrophobicContact CG-CG2 3.94Å; Y40-I61 HydrophobicContact CD1-CG2 4.47Å; Y40-I61 HydrophobicContact CD2-CG2 4.17Å; Y40-I61 HydrophobicContact CG-CG2 3.99Å; V55-I61 HydrophobicContact CG2-CG1 4.14Å; G57-I61 WeakPolarHBondContact O-CG1 3.23Å; G57-I61 PolarHBondContact O-N 3.22Å; G57-I61 VanDerWaalsContact O-N 3.08Å; I61-K63 PolarHBondContact O-N 3.12Å; I61-K64 PolarHBondContact O-N 2.67Å; I61-V65 HydrophobicContact CG2-CG2 4.34Å; I61-V65 VanDerWaalsContact O-CG2 3.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 2.84Å
62H98Very high94.9Very high70 Ų7072 Ų7232%0.32437%0.368SS..Hα-helixtrans-57-50.2173.6-179.3-125.1000112H31 Q58 E60 K64 V65 M66H31-H62 HydrophobicContact CB-CB 3.67Å; H31-H62 AromaticContact CG-CD2 3.8Å; H31-H62 AromaticContact ND1-CD2 3.23Å; H31-H62 PolarHBondContact ND1-CD2 3.2Å; H31-H62 AromaticContact ND1-CG 3.87Å; H31-H62 AromaticContact ND1-NE2 3.81Å; Q58-H62 WeakPolarHBondContact O-CB 3.49Å; Q58-H62 PolarHBondContact O-N 3.02Å; E60-H62 VanDerWaalsContact C-N 3.33Å; E60-H62 PolarHBondContact O-N 2.9Å; H62-K64 VanDerWaalsContact C-N 3.3Å; H62-K64 PolarHBondContact O-N 3.22Å; H62-V65 PolarHBondContact O-N 3.1Å; H62-M66 VanDerWaalsContact O-CG 3.27Å; H62-M66 WeakPolarHBondContact O-CG 3.23Å; H62-M66 PolarHBondContact O-N 2.89Å
63K97.3Very high95.2Very high165 Ų16568.8 Ų68.872%0.71735%0.353SS*.Hα-helixtrans-58.3-41177.6-174.5-174.9175.5-170.50112A59 E60 I61 S67A59-K63 PolarHBondContact O-N 3.19Å; A59-K63 VanDerWaalsContact O-N 3.14Å; E60-K63 PolarHBondContact O-N 3.41Å; I61-K63 PolarHBondContact O-N 3.12Å; K63-S67 PolarHBondContact O-N 2.78Å
64K95.9Very high95.4Very high33 Ų3365 Ų6514%0.14334%0.335CS..Hα-helixtrans-68.4-46.8178.8179.859.2174.6169.40111.7Y40 V55 E60 I61 H62 M66 S67 L68Y40-K64 HydrophobicContact CD1-CB 4.45Å; Y40-K64 HydrophobicContact CD1-CG 3.91Å; Y40-K64 HydrophobicContact CE1-CB 4.43Å; Y40-K64 HydrophobicContact CE1-CG 3.71Å; V55-K64 HydrophobicContact CG2-CB 3.9Å; V55-K64 HydrophobicContact CG2-CG 4.19Å; E60-K64 WeakPolarHBondContact O-CB 3.28Å; E60-K64 PolarHBondContact O-N 3.34Å; I61-K64 PolarHBondContact O-N 2.67Å; H62-K64 VanDerWaalsContact C-N 3.3Å; H62-K64 PolarHBondContact O-N 3.22Å; K64-M66 VanDerWaalsContact C-N 3.3Å; K64-M66 PolarHBondContact O-N 3.45Å; K64-S67 WeakPolarHBondContact CA-OG 3.49Å; K64-S67 PolarHBondContact O-N 2.8Å; K64-S67 VanDerWaalsContact O-N 3.08Å; K64-S67 PolarHBondContact O-OG 3.01Å; K64-L68 HydrophobicContact CG-CD1 4.43Å; K64-L68 WeakPolarHBondContact O-CG 3.22Å; K64-L68 PolarHBondContact O-N 2.95Å; K64-L68 VanDerWaalsContact O-N 3.11Å
65V95.9Very high95.5Very high1 Ų165.6 Ų65.61%0.00634%0.336CS..Hα-helixtrans-58.4-41.6175.6172.50000111.2P27 L30 Y40 I61 H62 L68 F70P27-V65 HydrophobicContact CB-CG1 4.35Å; L30-V65 HydrophobicContact CB-CG1 4.35Å; L30-V65 HydrophobicContact CD2-CG1 4.07Å; L30-V65 HydrophobicContact CD2-CG2 4.06Å; Y40-V65 HydrophobicContact CE1-CG2 4.23Å; Y40-V65 HydrophobicContact CE2-CG2 4.34Å; I61-V65 HydrophobicContact CG2-CG2 4.34Å; I61-V65 VanDerWaalsContact O-CG2 3.3Å; I61-V65 WeakPolarHBondContact O-CG2 3.19Å; I61-V65 PolarHBondContact O-N 2.84Å; H62-V65 PolarHBondContact O-N 3.1Å; V65-L68 PolarHBondContact O-N 2.87Å; V65-F70 HydrophobicContact CG1-CD2 3.98Å; V65-F70 HydrophobicContact CG1-CE2 4.13Å
66M95.5Very high95.5Very high66 Ų6668.3 Ų68.333%0.32534%0.344SS..Hα-helixtrans-66.5-36.9174.5-64.3-66.491.200112.9P27 D28 H62 K64 L68 Q69P27-M66 HydrophobicContact CB-CE 4.38Å; D28-M66 VanDerWaalsContact CA-CE 3.48Å; D28-M66 HydrophobicContact CB-CE 4.37Å; H62-M66 VanDerWaalsContact O-CG 3.27Å; H62-M66 WeakPolarHBondContact O-CG 3.23Å; H62-M66 PolarHBondContact O-N 2.89Å; K64-M66 VanDerWaalsContact C-N 3.3Å; K64-M66 PolarHBondContact O-N 3.45Å; M66-L68 PolarHBondContact O-N 3.35Å; M66-Q69 PolarHBondContact O-N 3.34Å
67S94.8Very high95.5Very high78 Ų7864 Ų6455%0.54533%0.331SS..Hα-helixtrans-69.3-18175.671.40000114.5K63 K64 Q69K63-S67 PolarHBondContact O-N 2.78Å; K64-S67 WeakPolarHBondContact CA-OG 3.49Å; K64-S67 PolarHBondContact O-N 2.8Å; K64-S67 VanDerWaalsContact O-N 3.08Å; K64-S67 PolarHBondContact O-OG 3.01Å; S67-Q69 VanDerWaalsContact C-N 3.32Å
68L92.3Very high95.6Very high45 Ų4571.9 Ų71.924%0.23636%0.358CS..THydrogen-bonded Turntrans-83.3-6.8176.4-70.3167.3000113.3Y40 H42 K64 V65 M66 F70Y40-L68 HydrophobicContact CE1-CD1 4.23Å; H42-L68 HydrophobicContact CB-CD1 4.04Å; K64-L68 HydrophobicContact CG-CD1 4.43Å; K64-L68 WeakPolarHBondContact O-CG 3.22Å; K64-L68 PolarHBondContact O-N 2.95Å; K64-L68 VanDerWaalsContact O-N 3.11Å; V65-L68 PolarHBondContact O-N 2.87Å; M66-L68 PolarHBondContact O-N 3.35Å; L68-F70 HydrophobicContact CB-CD2 4.04Å; L68-F70 HydrophobicContact CB-CE2 3.58Å; L68-F70 HydrophobicContact CB-CZ 3.93Å; L68-F70 HydrophobicContact CD1-CE2 3.75Å; L68-F70 HydrophobicContact CD1-CZ 3.86Å; L68-F70 HydrophobicContact CG-CE2 4.32Å; L68-F70 PolarHBondContact O-N 2.66Å
69Q92.7Very high95.5Very high157 Ų15774 Ų7473%0.73437%0.368SS*.THydrogen-bonded Turntrans48.954.4173.4-61.5-176.8-22.800112.9M66 S67 S71 N100M66-Q69 PolarHBondContact O-N 3.34Å; S67-Q69 VanDerWaalsContact C-N 3.32Å; Q69-S71 PolarHBondContact O-N 2.98Å; Q69-N100 PolarHBondContact O-ND2 3.17Å
70F93.1Very high95.6Very high21 Ų2170.9 Ų70.99%0.09234%0.341CS..  trans-64.8118.4175.2-68.8-70.2000110.6L23 P27 H42 V65 L68 C73 N100L23-F70 HydrophobicContact CD1-CB 4.5Å; L23-F70 HydrophobicContact CD1-CD1 3.91Å; L23-F70 HydrophobicContact CD1-CD2 3.75Å; L23-F70 HydrophobicContact CD1-CE1 3.98Å; L23-F70 HydrophobicContact CD1-CE2 3.81Å; L23-F70 HydrophobicContact CD1-CG 3.79Å; L23-F70 HydrophobicContact CD1-CZ 3.93Å; L23-F70 HydrophobicContact CD2-CE1 4.4Å; L23-F70 HydrophobicContact CG-CD1 4.25Å; L23-F70 HydrophobicContact CG-CE1 4.47Å; L23-F70 HydrophobicContact CG-CG 4.44Å; P27-F70 HydrophobicContact CB-CB 3.8Å; P27-F70 HydrophobicContact CB-CD2 4.36Å; P27-F70 HydrophobicContact CB-CG 4.47Å; P27-F70 HydrophobicContact CG-CB 3.87Å; H42-F70 AromaticContact CD2-CZ 3.89Å; H42-F70 AromaticContact NE2-CE1 3.84Å; H42-F70 AromaticContact NE2-CZ 3.52Å; V65-F70 HydrophobicContact CG1-CD2 3.98Å; V65-F70 HydrophobicContact CG1-CE2 4.13Å; L68-F70 HydrophobicContact CB-CD2 4.04Å; L68-F70 HydrophobicContact CB-CE2 3.58Å; L68-F70 HydrophobicContact CB-CZ 3.93Å; L68-F70 HydrophobicContact CD1-CE2 3.75Å; L68-F70 HydrophobicContact CD1-CZ 3.86Å; L68-F70 HydrophobicContact CG-CE2 4.32Å; L68-F70 PolarHBondContact O-N 2.66Å; F70-C73 HydrophobicContact CD1-CB 4.3Å; F70-N100 VanDerWaalsContact CA-OD1 3.31Å; F70-N100 WeakPolarHBondContact CA-OD1 3.48Å
71S91.8Very high95.6Very high56 Ų5668.6 Ų68.639%0.39233%0.331SS..  trans-146.6132.6178.9-175.20000108.2Q69 C73 N100 N101Q69-S71 PolarHBondContact O-N 2.98Å; S71-C73 PolarHBondContact O-N 3.43Å; S71-C73 VanDerWaalsContact O-N 3.1Å; S71-N100 PolarHBondContact N-OD1 3.3Å; S71-N100 PolarHBondContact O-OD1 3.3Å; S71-N101 WeakPolarHBondContact O-CA 3.32Å; S71-N101 PolarHBondContact O-N 2.87Å
72E90.9Very high95.6Very high127 Ų12769 Ų6959%0.59334%0.335SS*.SBendtrans48.539.5-176-58.1-174.2175.100112.6H74E72-H74 PolarHBondContact O-CD2 2.9Å; E72-H74 PolarHBondContact O-N 3.27Å; E72-H74 VanDerWaalsContact O-N 3.09Å
73C93.4Very high95.6Very high0 Ų071.2 Ų71.20%035%0.345CS..  trans-72.2107.9-172.1-175.80000111L23 N24 F70 S71 S99L23-C73 HydrophobicContact CG-CB 4.45Å; N24-C73 VanDerWaalsContact CB-O 3.23Å; N24-C73 WeakPolarHBondContact CB-O 3.21Å; N24-C73 VanDerWaalsContact CG-O 3.23Å; N24-C73 PolarHBondContact ND2-O 2.83Å; F70-C73 HydrophobicContact CD1-CB 4.3Å; S71-C73 PolarHBondContact O-N 3.43Å; S71-C73 VanDerWaalsContact O-N 3.1Å; C73-S99 CarbonylContact C-O 3.57Å; C73-S99 WeakPolarHBondContact CA-O 3.33Å; C73-S99 PolarHBondContact SG-O 3.23Å
74H95.1Very high95.6Very high95 Ų9566.7 Ų66.744%0.4434%0.339SS..EExtended strand (participates in β ladder)trans-104.8125.8-175.2-72.6-66.9000111.1E72 L98 S99 M105E72-H74 PolarHBondContact O-CD2 2.9Å; E72-H74 PolarHBondContact O-N 3.27Å; E72-H74 VanDerWaalsContact O-N 3.09Å; H74-L98 WeakPolarHBondContact O-CA 3.4Å; H74-S99 PolarHBondContact N-O 3.13Å; H74-S99 PolarHBondContact O-N 3.4Å; H74-M105 HydrophobicContact CB-CE 3.78Å
75T96.9Very high95.6Very high39 Ų3968 Ų6824%0.23935%0.349CS..EExtended strand (participates in β ladder)trans-125.3128.1-174.858.40000111.9Y20 E97 L98Y20-T75 WeakPolarHBondContact CB-OG1 3.4Å; Y20-T75 HydrophobicContact CD1-CG2 3.72Å; Y20-T75 HydrophobicContact CE1-CG2 4.4Å; Y20-T75 HydrophobicContact CG-CG2 4.17Å; T75-E97 CarbonylContact C-O 3.57Å; T75-E97 WeakPolarHBondContact CA-O 3.44Å; T75-L98 HydrophobicContact CG2-CB 4.4Å; T75-L98 HydrophobicContact CG2-CD1 3.81Å; T75-L98 HydrophobicContact CG2-CG 3.93Å
76K97.3Very high95.5Very high96 Ų9675.4 Ų75.442%0.41739%0.388SS..EExtended strand (participates in β ladder)trans-108.899.2170.7-51.4-178.9-148.1142.70108.9R78 G96 E97 M105K76-R78 PolarHBondContact O-N 3.13Å; K76-G96 CarbonylContact O-C 3.49Å; K76-G96 WeakPolarHBondContact O-CA 3.38Å; K76-E97 HydrophobicContact CB-CB 4.27Å; K76-E97 WeakPolarHBondContact CD-OE2 3.25Å; K76-E97 WeakPolarHBondContact CE-OE2 3.33Å; K76-E97 PolarHBondContact N-O 3.36Å; K76-E97 IonicContact NZ-OE2 3.54Å; K76-E97 PolarHBondContact NZ-OE2 3.12Å; K76-E97 PolarHBondContact O-N 2.87Å; K76-M105 HydrophobicContact CD-SD 4.49Å; K76-M105 VanDerWaalsContact CE-SD 3.56Å; K76-M105 HydrophobicContact CG-SD 4.45Å
77I97.8Very high95.3Very high59 Ų5977.7 Ų77.730%0.30341%0.411SS..EExtended strand (participates in β ladder)trans-75119.2177.9-50.4-50.8000108.6V16 Y20 V80 V94 F108V16-I77 HydrophobicContact CG1-CG1 4.34Å; V16-I77 HydrophobicContact CG1-CG2 4.33Å; Y20-I77 HydrophobicContact CD2-CD1 3.51Å; Y20-I77 HydrophobicContact CD2-CG1 4.02Å; Y20-I77 HydrophobicContact CE1-CD1 4.49Å; Y20-I77 HydrophobicContact CE2-CD1 3.33Å; Y20-I77 HydrophobicContact CE2-CG1 4.14Å; Y20-I77 HydrophobicContact CG-CD1 4.17Å; I77-V80 HydrophobicContact CG2-CG2 3.48Å; I77-V80 VanDerWaalsContact CG2-CG2 3.48Å; I77-V94 HydrophobicContact CD1-CG1 4.12Å; I77-V94 HydrophobicContact CG2-CG1 3.85Å; I77-F108 HydrophobicContact CD1-CZ 3.97Å
78R97.6Very high95.1Very high175 Ų17578.9 Ų78.966%0.6641%0.411SS*.EExtended strand (participates in β ladder)trans-89.7-39.1-179.3-66.9-63.6-169.3161.23.3111.5K76 M95 E97K76-R78 PolarHBondContact O-N 3.13Å; R78-M95 WeakPolarHBondContact CA-O 3.48Å; R78-M95 WeakPolarHBondContact CB-O 3.42Å; R78-M95 PolarHBondContact N-O 2.85Å; R78-E97 IonicContact CZ-OE1 3.44Å; R78-E97 IonicContact NE-OE1 2.79Å; R78-E97 PolarHBondContact NE-OE1 3.08Å; R78-E97 IonicContact NH2-OE1 3.4Å; R78-E97 PolarHBondContact NH2-OE1 2.63Å
79H96.9Very high95.3Very high83 Ų8377 Ų7738%0.38440%0.402SS..EExtended strand (participates in β ladder)trans-151.9150.6-178.5-164.163.7000112D81 M95H79-D81 IonicContact CD2-OD1 3.42Å; H79-D81 IonicContact CD2-OD2 2.67Å; H79-D81 PolarHBondContact CD2-OD2 3.26Å; H79-D81 IonicContact CE1-OD1 3.85Å; H79-D81 IonicContact NE2-OD1 2.77Å; H79-D81 PolarHBondContact NE2-OD1 3.15Å; H79-D81 IonicContact NE2-OD2 2.67Å; H79-D81 PolarHBondContact NE2-OD2 3.1Å; H79-M95 HydrophobicContact CB-CB 4.46Å; H79-M95 HydrophobicContact CB-CE 3.95Å; H79-M95 PolarHBondContact N-O 2.91Å; H79-M95 VanDerWaalsContact N-O 3.09Å; H79-M95 PolarHBondContact O-N 2.85Å; H79-M95 VanDerWaalsContact O-N 3.13Å
80V98.4Very high95.5Very high18 Ų1869.8 Ų69.811%0.10937%0.369CS..EExtended strand (participates in β ladder)trans-143.3109.8175.5-175.90000109.4R13 V16 I77 V92 Q93 V94R13-V80 HydrophobicContact CG-CB 4.49Å; R13-V80 HydrophobicContact CG-CG1 4.26Å; V16-V80 HydrophobicContact CB-CG2 4.49Å; V16-V80 HydrophobicContact CG1-CG2 3.88Å; V16-V80 HydrophobicContact CG2-CG1 4.1Å; V16-V80 HydrophobicContact CG2-CG2 4.46Å; I77-V80 HydrophobicContact CG2-CG2 3.48Å; I77-V80 VanDerWaalsContact CG2-CG2 3.48Å; V80-V92 HydrophobicContact CG1-CG1 3.81Å; V80-Q93 WeakPolarHBondContact CA-O 3.49Å; V80-V94 HydrophobicContact CG2-CG1 4.49Å
81D98.2Very high95.8Very high56 Ų5670.9 Ų70.930%0.29938%0.377SS..EExtended strand (participates in β ladder)trans-98.5142.2166-66.3-49.7000109.4H79 V92 Q93H79-D81 IonicContact CD2-OD1 3.42Å; H79-D81 IonicContact CD2-OD2 2.67Å; H79-D81 PolarHBondContact CD2-OD2 3.26Å; H79-D81 IonicContact CE1-OD1 3.85Å; H79-D81 IonicContact NE2-OD1 2.77Å; H79-D81 PolarHBondContact NE2-OD1 3.15Å; H79-D81 IonicContact NE2-OD2 2.67Å; H79-D81 PolarHBondContact NE2-OD2 3.1Å; D81-V92 CarbonylContact O-C 3.54Å; D81-V92 WeakPolarHBondContact O-CA 3.46Å; D81-Q93 PolarHBondContact N-O 3.33Å; D81-Q93 PolarHBondContact O-N 3.09Å
82A98.2Very high96.1Very high8 Ų868.2 Ų68.27%0.06636%0.358CS..EExtended strand (participates in β ladder)trans-151.2130174.300000112.5P8 V90 V91 V92P8-A82 WeakPolarHBondContact O-CB 3.47Å; A82-V90 HydrophobicContact CB-CG1 4.1Å; A82-V91 CarbonylContact C-O 3.6Å; A82-V91 WeakPolarHBondContact CA-O 3.18Å; A82-V92 HydrophobicContact CB-CB 4.36Å; A82-V92 HydrophobicContact CB-CG1 4.24Å; A82-V92 HydrophobicContact CB-CG2 3.97Å
83H98.1Very high96.5Very high117 Ų11766 Ų6654%0.54235%0.348SS..EExtended strand (participates in β ladder)trans-133.7148.7-171.6-62-88.2000110.9V90 V91H83-V90 CarbonylContact O-C 3.56Å; H83-V90 WeakPolarHBondContact O-CA 3.01Å; H83-V91 HydrophobicContact CB-CG1 4.11Å; H83-V91 PolarHBondContact N-O 3.09Å; H83-V91 PolarHBondContact O-N 3.42Å
84A97.6Very high96.7Very high71 Ų7166 Ų6659%0.58735%0.348SS*.EExtended strand (participates in β ladder)trans-64.4143.217200000110.7P8P8-A84 HydrophobicContact CG-CB 3.77Å
85T96.4Very high96.9Very high59 Ų5965.4 Ų65.436%0.36235%0.346SS..  trans-124-173.4174.358.20000110.9G89 V90 V91T85-G89 PolarHBondContact N-O 3.24Å; T85-G89 WeakPolarHBondContact OG1-CA 3.21Å; T85-G89 PolarHBondContact OG1-O 2.9Å; T85-V90 PolarHBondContact OG1-N 3.25Å; T85-V91 HydrophobicContact CG2-CB 3.68Å; T85-V91 HydrophobicContact CG2-CG1 3.62Å
86L92.9Very high96.9Very high158 Ų15863.9 Ų63.983%0.82734%0.338SS*.G310 helixtrans-58.7153.2176.9-58.6175.6000111.4D88 G89L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.03Å; L86-G89 PolarHBondContact O-N 2.8Å; L86-G89 VanDerWaalsContact O-N 3.14Å
87S90.6Very high96.9Very high114 Ų11460.7 Ų60.780%0.79733%0.325SS*.G310 helixtrans56.140.8174.7-540000114.6G89 P116S87-G89 PolarHBondContact O-N 3.03Å; S87-G89 VanDerWaalsContact O-N 3.16Å; S87-P116 WeakPolarHBondContact O-CG 3.07Å
88D91.6Very high96.9Very high103 Ų10358 Ų5855%0.55131%0.311SS*.G310 helixtrans59.219.6-177.9-85.2-50.2000115K5 L86 P116K5-D88 IonicContact NZ-OD1 2.82Å; K5-D88 PolarHBondContact NZ-OD1 2.77Å; K5-D88 IonicContact NZ-OD2 3.15Å; L86-D88 VanDerWaalsContact C-N 3.33Å; L86-D88 PolarHBondContact O-N 3.03Å; D88-P116 HydrophobicContact CB-CG 4.11Å
89G95.1Very high96.8Very high5 Ų550 Ų505%0.05228%0.282CS..  trans-72.8168.9173.300000113.8T85 L86 S87 L114T85-G89 PolarHBondContact N-O 3.24Å; T85-G89 WeakPolarHBondContact OG1-CA 3.21Å; T85-G89 PolarHBondContact OG1-O 2.9Å; L86-G89 PolarHBondContact O-N 2.8Å; L86-G89 VanDerWaalsContact O-N 3.14Å; S87-G89 PolarHBondContact O-N 3.03Å; S87-G89 VanDerWaalsContact O-N 3.16Å; G89-L114 CarbonylContact C-O 3.13Å; G89-L114 WeakPolarHBondContact CA-O 3.47Å
90V97.9Very high96.7Very high6 Ų647.5 Ų47.54%0.03627%0.272CS..EExtended strand (participates in β ladder)trans-133.1122.3171.1177.90000108.6P8 V11 A82 H83 T85 V92 L114 F124P8-V90 HydrophobicContact CB-CG1 4.04Å; P8-V90 HydrophobicContact CB-CG2 4.07Å; V11-V90 HydrophobicContact CG1-CG2 4.41Å; A82-V90 HydrophobicContact CB-CG1 4.1Å; H83-V90 CarbonylContact O-C 3.56Å; H83-V90 WeakPolarHBondContact O-CA 3.01Å; T85-V90 PolarHBondContact OG1-N 3.25Å; V90-V92 HydrophobicContact CG1-CG2 3.97Å; V90-L114 HydrophobicContact CB-CB 4.31Å; V90-L114 PolarHBondContact N-O 2.93Å; V90-L114 PolarHBondContact O-N 3.34Å; V90-F124 HydrophobicContact CG2-CE1 4.31Å
91V98.6Very high96.4Very high43 Ų4351.4 Ų51.426%0.26129%0.292SS..EExtended strand (participates in β ladder)trans-83.8138.7164.864.40000108.6A82 H83 T85 T111 F112A82-V91 CarbonylContact C-O 3.6Å; A82-V91 WeakPolarHBondContact CA-O 3.18Å; H83-V91 HydrophobicContact CB-CG1 4.11Å; H83-V91 PolarHBondContact N-O 3.09Å; H83-V91 PolarHBondContact O-N 3.42Å; T85-V91 HydrophobicContact CG2-CB 3.68Å; T85-V91 HydrophobicContact CG2-CG1 3.62Å; V91-T111 HydrophobicContact CG2-CG2 4.12Å; V91-F112 WeakPolarHBondContact CA-O 3.35Å
92V98.8Very high95.9Very high0 Ų051.8 Ų51.80%031%0.309CS..EExtended strand (participates in β ladder)trans-128.4122.7176.2-172.10000108.2V16 V80 D81 A82 V90 V94 T111 F112 L114V16-V92 HydrophobicContact CG2-CG1 3.8Å; V80-V92 HydrophobicContact CG1-CG1 3.81Å; D81-V92 CarbonylContact O-C 3.54Å; D81-V92 WeakPolarHBondContact O-CA 3.46Å; A82-V92 HydrophobicContact CB-CB 4.36Å; A82-V92 HydrophobicContact CB-CG1 4.24Å; A82-V92 HydrophobicContact CB-CG2 3.97Å; V90-V92 HydrophobicContact CG1-CG2 3.97Å; V92-V94 HydrophobicContact CG1-CG2 4.02Å; V92-T111 WeakPolarHBondContact O-CA 3.28Å; V92-F112 HydrophobicContact CB-CB 4.27Å; V92-F112 HydrophobicContact CB-CD2 4.44Å; V92-F112 PolarHBondContact N-O 3.09Å; V92-F112 PolarHBondContact O-N 2.85Å; V92-L114 HydrophobicContact CG2-CD1 3.9Å; V92-L114 HydrophobicContact CG2-CG 4.22Å
93Q98.6Very high95.6Very high82 Ų8257.2 Ų57.238%0.38333%0.333SS..EExtended strand (participates in β ladder)trans-107.2128.6171.9-172.81740.600109.1V80 D81V80-Q93 WeakPolarHBondContact CA-O 3.49Å; D81-Q93 PolarHBondContact N-O 3.33Å; D81-Q93 PolarHBondContact O-N 3.09Å
94V98.7Very high95.4Very high0 Ų056.3 Ų56.30%034%0.337CS..EExtended strand (participates in β ladder)trans-121.9134.2-177.5-170.70000109.3V16 Y20 I77 V80 V92 F108 Q110 F112V16-V94 HydrophobicContact CG2-CG2 3.53Å; Y20-V94 HydrophobicContact CE2-CG1 4.13Å; I77-V94 HydrophobicContact CD1-CG1 4.12Å; I77-V94 HydrophobicContact CG2-CG1 3.85Å; V80-V94 HydrophobicContact CG2-CG1 4.49Å; V92-V94 HydrophobicContact CG1-CG2 4.02Å; V94-F108 HydrophobicContact CB-CE2 4.47Å; V94-F108 HydrophobicContact CG1-CE2 4.07Å; V94-F108 HydrophobicContact CG1-CZ 4.25Å; V94-Q110 HydrophobicContact CB-CB 4.41Å; V94-Q110 PolarHBondContact N-O 3.48Å; V94-Q110 PolarHBondContact O-N 3.43Å; V94-F112 HydrophobicContact CG2-CD2 4.14Å; V94-F112 HydrophobicContact CG2-CE2 3.91Å
95M98.3Very high95.3Very high81 Ų8156.3 Ų56.340%0.39933%0.326SS..EExtended strand (participates in β ladder)trans-123.5135.2170.1-66.5178.9-76.500108.6R78 H79R78-M95 WeakPolarHBondContact CA-O 3.48Å; R78-M95 WeakPolarHBondContact CB-O 3.42Å; R78-M95 PolarHBondContact N-O 2.85Å; H79-M95 HydrophobicContact CB-CB 4.46Å; H79-M95 HydrophobicContact CB-CE 3.95Å; H79-M95 PolarHBondContact N-O 2.91Å; H79-M95 VanDerWaalsContact N-O 3.09Å; H79-M95 PolarHBondContact O-N 2.85Å; H79-M95 VanDerWaalsContact O-N 3.13Å
96G97.6Very high95.2Very high7 Ų756.9 Ų56.97%0.07232%0.322CS..EExtended strand (participates in β ladder)trans-171.4-174.5-175.100000114.7K76 K107 F108K76-G96 CarbonylContact O-C 3.49Å; K76-G96 WeakPolarHBondContact O-CA 3.38Å; G96-K107 CarbonylContact O-C 3.47Å; G96-K107 WeakPolarHBondContact O-CA 3.44Å; G96-F108 VanDerWaalsContact C-CE1 3.44Å; G96-F108 PolarHBondContact N-O 3.45Å; G96-F108 WeakPolarHBondContact O-CD1 3.31Å; G96-F108 PolarHBondContact O-N 2.94Å
97E97.4Very high95.4Very high29 Ų2954.9 Ų54.914%0.13631%0.306CS..EExtended strand (participates in β ladder)trans-112.2140.1167.8-67.6148.9-124.200109.3T75 K76 R78 M105 R106T75-E97 CarbonylContact C-O 3.57Å; T75-E97 WeakPolarHBondContact CA-O 3.44Å; K76-E97 HydrophobicContact CB-CB 4.27Å; K76-E97 WeakPolarHBondContact CD-OE2 3.25Å; K76-E97 WeakPolarHBondContact CE-OE2 3.33Å; K76-E97 PolarHBondContact N-O 3.36Å; K76-E97 IonicContact NZ-OE2 3.54Å; K76-E97 PolarHBondContact NZ-OE2 3.12Å; K76-E97 PolarHBondContact O-N 2.87Å; R78-E97 IonicContact CZ-OE1 3.44Å; R78-E97 IonicContact NE-OE1 2.79Å; R78-E97 PolarHBondContact NE-OE1 3.08Å; R78-E97 IonicContact NH2-OE1 3.4Å; R78-E97 PolarHBondContact NH2-OE1 2.63Å; E97-M105 HydrophobicContact CB-CB 4.23Å; E97-M105 HydrophobicContact CB-SD 4.21Å; E97-R106 CarbonylContact C-O 3.57Å; E97-R106 WeakPolarHBondContact CA-O 3.34Å
98L97Very high95.7Very high2 Ų249.7 Ų49.71%0.0127%0.269CS..EExtended strand (participates in β ladder)trans-129.4135.6174.2-172.2150.2000110.1L23 H74 T75 N100 R106 F108 F131 Y133L23-L98 HydrophobicContact CD2-CD1 4.06Å; H74-L98 WeakPolarHBondContact O-CA 3.4Å; T75-L98 HydrophobicContact CG2-CB 4.4Å; T75-L98 HydrophobicContact CG2-CD1 3.81Å; T75-L98 HydrophobicContact CG2-CG 3.93Å; L98-N100 HydrophobicContact CD2-CB 4.4Å; L98-R106 PolarHBondContact N-O 2.68Å; L98-R106 PolarHBondContact O-N 3.08Å; L98-F108 HydrophobicContact CB-CD1 3.68Å; L98-F108 HydrophobicContact CB-CE1 3.87Å; L98-F131 HydrophobicContact CD1-CE2 4Å; L98-F131 HydrophobicContact CD1-CZ 4.2Å; L98-Y133 HydrophobicContact CD2-CE1 4.37Å
99S95.7Very high96Very high7 Ų749 Ų495%0.04926%0.264CS..EExtended strand (participates in β ladder)trans-119.5142.8169.2153.80000108.2C73 H74 Q103C73-S99 CarbonylContact C-O 3.57Å; C73-S99 WeakPolarHBondContact CA-O 3.33Å; C73-S99 PolarHBondContact SG-O 3.23Å; H74-S99 PolarHBondContact N-O 3.13Å; H74-S99 PolarHBondContact O-N 3.4Å; S99-Q103 WeakPolarHBondContact CB-O 3.49Å; S99-Q103 PolarHBondContact OG-O 3.38Å
100N94.2Very high96.1Very high31 Ų3148.8 Ų48.817%0.16626%0.262CS..  trans-131.1139.4171.7-172.339000109Q69 F70 S71 L98 G102 Q103Q69-N100 PolarHBondContact O-ND2 3.17Å; F70-N100 VanDerWaalsContact CA-OD1 3.31Å; F70-N100 WeakPolarHBondContact CA-OD1 3.48Å; S71-N100 PolarHBondContact N-OD1 3.3Å; S71-N100 PolarHBondContact O-OD1 3.3Å; L98-N100 HydrophobicContact CD2-CB 4.4Å; N100-G102 VanDerWaalsContact C-N 3.32Å; N100-G102 PolarHBondContact O-N 3.37Å; N100-Q103 WeakPolarHBondContact O-CB 3.43Å; N100-Q103 WeakPolarHBondContact O-CG 3.43Å; N100-Q103 PolarHBondContact O-N 3.25Å
101N92.1Very high96.2Very high101 Ų10150.4 Ų50.454%0.5427%0.272SS..THydrogen-bonded Turntrans48.648.2175.4-164.143.3000113.9S71 Q103S71-N101 WeakPolarHBondContact O-CA 3.32Å; S71-N101 PolarHBondContact O-N 2.87Å; N101-Q103 PolarHBondContact O-N 3.21Å; N101-Q103 VanDerWaalsContact O-N 3.13Å
102G88.4Confident96.2Very high64 Ų6448.3 Ų48.366%0.6626%0.259SS*.THydrogen-bonded Turntrans69.21.1-179.900000116.8N100N100-G102 VanDerWaalsContact C-N 3.32Å; N100-G102 PolarHBondContact O-N 3.37Å
103Q91.8Very high96.2Very high122 Ų12250.2 Ų50.257%0.5727%0.271SS*.  trans-65.7159.8179.5-64.7-57.2-52.800112.6S99 N100 N101S99-Q103 WeakPolarHBondContact CB-O 3.49Å; S99-Q103 PolarHBondContact OG-O 3.38Å; N100-Q103 WeakPolarHBondContact O-CB 3.43Å; N100-Q103 WeakPolarHBondContact O-CG 3.43Å; N100-Q103 PolarHBondContact O-N 3.25Å; N101-Q103 PolarHBondContact O-N 3.21Å; N101-Q103 VanDerWaalsContact O-N 3.13Å
104P93.9Very high96.1Very high97 Ų9746.4 Ų46.463%0.6325%0.253SS*.  trans-54.2152.617620.9-34000113.3R106P104-R106 PolarHBondContact O-N 2.84Å; P104-R106 VanDerWaalsContact O-N 3.08Å
105M95.3Very high96Very high72 Ų7247.2 Ų47.236%0.35526%0.26SS..  trans-72.597.4179.1-72.6-85.1170.200110.4H74 K76 E97H74-M105 HydrophobicContact CB-CE 3.78Å; K76-M105 HydrophobicContact CD-SD 4.49Å; K76-M105 VanDerWaalsContact CE-SD 3.56Å; K76-M105 HydrophobicContact CG-SD 4.45Å; E97-M105 HydrophobicContact CB-CB 4.23Å; E97-M105 HydrophobicContact CB-SD 4.21Å
106R95.3Very high95.8Very high71 Ų7145.8 Ų45.827%0.26826%0.256SS..EExtended strand (participates in β ladder)trans-84135.5177.2-64.9172.268.3-161.71.6110E97 L98 P104 Y133 D135 E136E97-R106 CarbonylContact C-O 3.57Å; E97-R106 WeakPolarHBondContact CA-O 3.34Å; L98-R106 PolarHBondContact N-O 2.68Å; L98-R106 PolarHBondContact O-N 3.08Å; P104-R106 PolarHBondContact O-N 2.84Å; P104-R106 VanDerWaalsContact O-N 3.08Å; R106-Y133 HydrophobicContact CB-CD1 3.5Å; R106-Y133 VanDerWaalsContact CB-CD1 3.5Å; R106-Y133 HydrophobicContact CB-CE1 3.72Å; R106-Y133 HydrophobicContact CB-CG 4.47Å; R106-Y133 HydrophobicContact CG-CD1 4.48Å; R106-Y133 VanDerWaalsContact CZ-CD2 3.49Å; R106-Y133 VanDerWaalsContact NH1-CE2 3.29Å; R106-D135 IonicContact CZ-OD1 2.76Å; R106-D135 IonicContact CZ-OD2 2.66Å; R106-D135 IonicContact NE-OD1 3.74Å; R106-D135 PolarHBondContact NE-OD1 3.36Å; R106-D135 IonicContact NE-OD2 3.35Å; R106-D135 PolarHBondContact NE-OD2 2.76Å; R106-D135 IonicContact NH2-OD1 2.8Å; R106-D135 PolarHBondContact NH2-OD1 2.94Å; R106-D135 IonicContact NH2-OD2 3.66Å; R106-E136 IonicContact CZ-OE1 3.36Å; R106-E136 IonicContact NH1-OE1 3.09Å; R106-E136 PolarHBondContact NH1-OE1 2.97Å; R106-E136 VanDerWaalsContact NH2-CD 3.31Å; R106-E136 IonicContact NH2-OE1 2.87Å; R106-E136 PolarHBondContact NH2-OE1 3.4Å
107K96.6Very high95.4Very high115 Ų11547.4 Ų47.450%0.526%0.262SS..EExtended strand (participates in β ladder)trans-69.8146.4173.8-56.2170.2-170.7159.90109.6G96 Y133 E134G96-K107 CarbonylContact O-C 3.47Å; G96-K107 WeakPolarHBondContact O-CA 3.44Å; K107-Y133 WeakPolarHBondContact O-CA 3.27Å; K107-E134 HydrophobicContact CB-CB 3.81Å; K107-E134 WeakPolarHBondContact CB-OE2 3.18Å; K107-E134 HydrophobicContact CD-CB 4.38Å; K107-E134 HydrophobicContact CD-CG 4.36Å; K107-E134 WeakPolarHBondContact CD-OE1 3.39Å; K107-E134 WeakPolarHBondContact CD-OE2 3.14Å; K107-E134 WeakPolarHBondContact CE-OE1 3.26Å; K107-E134 IonicContact NZ-OE1 2.72Å; K107-E134 PolarHBondContact NZ-OE1 3.32Å; K107-E134 PolarHBondContact O-N 3.12Å
108F97.1Very high94.4Very high5 Ų550.2 Ų50.22%0.02230%0.298CS..EExtended strand (participates in β ladder)trans-143.7156.4176.975.5-93.3000112.9Y20 I77 V94 G96 L98 Q110 F131 R132 Y133Y20-F108 HydrophobicContact CE1-CZ 4.21Å; Y20-F108 AromaticContact CZ-CZ 3.89Å; Y20-F108 VanDerWaalsContact OH-CE2 3.25Å; Y20-F108 WeakPolarHBondContact OH-CE2 3.37Å; Y20-F108 WeakPolarHBondContact OH-CZ 3.46Å; I77-F108 HydrophobicContact CD1-CZ 3.97Å; V94-F108 HydrophobicContact CB-CE2 4.47Å; V94-F108 HydrophobicContact CG1-CE2 4.07Å; V94-F108 HydrophobicContact CG1-CZ 4.25Å; G96-F108 VanDerWaalsContact C-CE1 3.44Å; G96-F108 PolarHBondContact N-O 3.45Å; G96-F108 WeakPolarHBondContact O-CD1 3.31Å; G96-F108 PolarHBondContact O-N 2.94Å; L98-F108 HydrophobicContact CB-CD1 3.68Å; L98-F108 HydrophobicContact CB-CE1 3.87Å; F108-Q110 HydrophobicContact CD2-CB 3.95Å; F108-Q110 HydrophobicContact CE2-CB 3.89Å; F108-F131 HydrophobicContact CB-CD2 4.34Å; F108-F131 HydrophobicContact CB-CE1 4.08Å; F108-F131 HydrophobicContact CB-CE2 3.57Å; F108-F131 HydrophobicContact CB-CZ 3.41Å; F108-F131 VanDerWaalsContact CB-CZ 3.41Å; F108-F131 AromaticContact CD1-CE2 3.9Å; F108-F131 HydrophobicContact CD1-CE2 3.9Å; F108-F131 HydrophobicContact CD1-CZ 4.19Å; F108-F131 AromaticContact CD2-CD2 3.7Å; F108-F131 HydrophobicContact CD2-CD2 3.7Å; F108-F131 AromaticContact CD2-CE2 3.33Å; F108-F131 HydrophobicContact CD2-CE2 3.33Å; F108-F131 HydrophobicContact CD2-CZ 4.12Å; F108-F131 HydrophobicContact CE1-CE2 4.43Å; F108-F131 HydrophobicContact CE2-CD2 4.27Å; F108-F131 AromaticContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CG-CD2 4.11Å; F108-F131 AromaticContact CG-CE2 3.31Å; F108-F131 HydrophobicContact CG-CE2 3.31Å; F108-F131 AromaticContact CG-CZ 3.66Å; F108-F131 HydrophobicContact CG-CZ 3.66Å; F108-F131 HydrophobicContact CZ-CE2 4.46Å; F108-R132 WeakPolarHBondContact CA-O 3.31Å; F108-R132 WeakPolarHBondContact CB-O 3.3Å; F108-Y133 HydrophobicContact CB-CD1 4.23Å
109M97.3Very high93.5Very high89 Ų8954.8 Ų54.844%0.43833%0.331SS..EExtended strand (participates in β ladder)trans-117.1131.716360.7-175.5-65.300109.4R132M109-R132 HydrophobicContact CG-CB 4.42Å; M109-R132 PolarHBondContact N-O 3.22Å; M109-R132 PolarHBondContact O-N 3.45Å
110Q98.4Very high92.9Very high0 Ų057.4 Ų57.40%035%0.346CS..EExtended strand (participates in β ladder)trans-132.2126.6177.1-170.3169.320.300111Y20 V94 F108 F112 D129 I130 F131Y20-Q110 PolarHBondContact OH-OE1 3.48Å; V94-Q110 HydrophobicContact CB-CB 4.41Å; V94-Q110 PolarHBondContact N-O 3.48Å; V94-Q110 PolarHBondContact O-N 3.43Å; F108-Q110 HydrophobicContact CD2-CB 3.95Å; F108-Q110 HydrophobicContact CE2-CB 3.89Å; Q110-F112 HydrophobicContact CB-CE2 4.34Å; Q110-F112 HydrophobicContact CG-CD2 4.16Å; Q110-F112 HydrophobicContact CG-CE1 4.26Å; Q110-F112 HydrophobicContact CG-CE2 3.62Å; Q110-F112 HydrophobicContact CG-CZ 3.71Å; Q110-D129 PolarHBondContact NE2-OD1 3.03Å; Q110-D129 PolarHBondContact NE2-OD2 3.24Å; Q110-I130 CarbonylContact C-O 3.51Å; Q110-I130 VanDerWaalsContact CA-O 3.3Å; Q110-I130 WeakPolarHBondContact CA-O 3.32Å; Q110-F131 HydrophobicContact CB-CB 4.2Å; Q110-F131 HydrophobicContact CB-CD2 3.9Å; Q110-F131 HydrophobicContact CB-CG 4.44Å; Q110-F131 HydrophobicContact CG-CB 3.78Å; Q110-F131 HydrophobicContact CG-CD2 4.05Å; Q110-F131 HydrophobicContact CG-CG 4.41Å
111T98.6Very high92.4Very high40 Ų4061.4 Ų61.425%0.24537%0.374CS..EExtended strand (participates in β ladder)trans-112.6122.1176.2-60.40000109.4V91 V92 I130V91-T111 HydrophobicContact CG2-CG2 4.12Å; V92-T111 WeakPolarHBondContact O-CA 3.28Å; T111-I130 PolarHBondContact N-O 3.34Å; T111-I130 PolarHBondContact O-N 3.29Å
112F98.7Very high92Very high0 Ų059.1 Ų59.10%036%0.362CS..EExtended strand (participates in β ladder)trans-107.6145.7172-56.5-90.8000110.9F15 Y19 V91 V92 V94 Q110 L114 V126 N128 D129F15-F112 HydrophobicContact CE1-CB 4.17Å; F15-F112 AromaticContact CE1-CD1 3.62Å; F15-F112 HydrophobicContact CE1-CD1 3.62Å; F15-F112 AromaticContact CE1-CD2 3.72Å; F15-F112 HydrophobicContact CE1-CD2 3.72Å; F15-F112 AromaticContact CE1-CE1 3.73Å; F15-F112 HydrophobicContact CE1-CE1 3.73Å; F15-F112 AromaticContact CE1-CE2 3.83Å; F15-F112 HydrophobicContact CE1-CE2 3.83Å; F15-F112 AromaticContact CE1-CG 3.58Å; F15-F112 HydrophobicContact CE1-CG 3.58Å; F15-F112 AromaticContact CE1-CZ 3.8Å; F15-F112 HydrophobicContact CE1-CZ 3.8Å; F15-F112 AromaticContact CZ-CD1 3.7Å; F15-F112 HydrophobicContact CZ-CD1 3.7Å; F15-F112 AromaticContact CZ-CE1 3.67Å; F15-F112 HydrophobicContact CZ-CE1 3.67Å; F15-F112 HydrophobicContact CZ-CG 4.15Å; F15-F112 HydrophobicContact CZ-CZ 4.09Å; Y19-F112 HydrophobicContact CD1-CE1 4.4Å; Y19-F112 AromaticContact CD1-CZ 3.8Å; Y19-F112 HydrophobicContact CD1-CZ 3.8Å; Y19-F112 HydrophobicContact CD2-CE1 4.09Å; Y19-F112 HydrophobicContact CD2-CZ 4.26Å; Y19-F112 HydrophobicContact CE1-CE1 4.2Å; Y19-F112 AromaticContact CE1-CZ 3.78Å; Y19-F112 HydrophobicContact CE1-CZ 3.78Å; Y19-F112 AromaticContact CE2-CE1 3.87Å; Y19-F112 HydrophobicContact CE2-CE1 3.87Å; Y19-F112 HydrophobicContact CE2-CZ 4.24Å; Y19-F112 HydrophobicContact CG-CE1 4.36Å; Y19-F112 HydrophobicContact CG-CZ 4.06Å; Y19-F112 AromaticContact CZ-CE1 3.94Å; V91-F112 WeakPolarHBondContact CA-O 3.35Å; V92-F112 HydrophobicContact CB-CB 4.27Å; V92-F112 HydrophobicContact CB-CD2 4.44Å; V92-F112 PolarHBondContact N-O 3.09Å; V92-F112 PolarHBondContact O-N 2.85Å; V94-F112 HydrophobicContact CG2-CD2 4.14Å; V94-F112 HydrophobicContact CG2-CE2 3.91Å; Q110-F112 HydrophobicContact CB-CE2 4.34Å; Q110-F112 HydrophobicContact CG-CD2 4.16Å; Q110-F112 HydrophobicContact CG-CE1 4.26Å; Q110-F112 HydrophobicContact CG-CE2 3.62Å; Q110-F112 HydrophobicContact CG-CZ 3.71Å; F112-L114 HydrophobicContact CB-CD2 4.45Å; F112-V126 HydrophobicContact CD1-CG1 4.03Å; F112-N128 CarbonylContact C-O 3.55Å; F112-N128 VanDerWaalsContact CA-O 3.29Å; F112-N128 WeakPolarHBondContact CA-O 3.49Å; F112-D129 HydrophobicContact CD1-CB 4.15Å; F112-D129 HydrophobicContact CE1-CB 4.38Å; F112-D129 WeakPolarHBondContact CE1-OD2 3.4Å
113V98.4Very high92.1Very high40 Ų4056.6 Ų56.624%0.24233%0.333CS..EExtended strand (participates in β ladder)trans-115.3111.7161.6-179.40000107.5H127 N128V113-H127 WeakPolarHBondContact O-CA 3.43Å; V113-H127 WeakPolarHBondContact O-CB 3.35Å; V113-H127 PolarHBondContact O-N 2.64Å; V113-N128 HydrophobicContact CB-CB 3.97Å; V113-N128 WeakPolarHBondContact CB-OD1 3.42Å; V113-N128 HydrophobicContact CG2-CB 4.05Å; V113-N128 PolarHBondContact N-O 2.84Å; V113-N128 PolarHBondContact O-N 3.29Å
114L98Very high92.2Very high2 Ų252.2 Ų52.21%0.0131%0.312CS..EExtended strand (participates in β ladder)trans-89.4130.8174.1-53.4-179.2000108.9V11 F15 G89 V90 V92 F112 F124 Y125 V126V11-L114 HydrophobicContact CG1-CD1 4Å; F15-L114 HydrophobicContact CB-CD1 3.93Å; F15-L114 HydrophobicContact CD1-CD1 4.01Å; F15-L114 HydrophobicContact CD1-CD2 3.96Å; F15-L114 HydrophobicContact CD1-CG 4.48Å; F15-L114 HydrophobicContact CD2-CD1 4.48Å; F15-L114 HydrophobicContact CD2-CD2 3.99Å; F15-L114 HydrophobicContact CE1-CD2 3.98Å; F15-L114 HydrophobicContact CE2-CD2 4.01Å; F15-L114 HydrophobicContact CG-CD1 3.84Å; F15-L114 HydrophobicContact CG-CD2 3.97Å; F15-L114 HydrophobicContact CZ-CD2 4.01Å; G89-L114 CarbonylContact C-O 3.13Å; G89-L114 WeakPolarHBondContact CA-O 3.47Å; V90-L114 HydrophobicContact CB-CB 4.31Å; V90-L114 PolarHBondContact N-O 2.93Å; V90-L114 PolarHBondContact O-N 3.34Å; V92-L114 HydrophobicContact CG2-CD1 3.9Å; V92-L114 HydrophobicContact CG2-CG 4.22Å; F112-L114 HydrophobicContact CB-CD2 4.45Å; L114-F124 HydrophobicContact CB-CB 4.41Å; L114-F124 HydrophobicContact CB-CD1 4.18Å; L114-Y125 WeakPolarHBondContact CA-O 3.25Å; L114-V126 HydrophobicContact CD2-CB 4.49Å; L114-V126 HydrophobicContact CD2-CG2 3.79Å
115A96.1Very high92.4Very high17 Ų1750.4 Ų50.414%0.1429%0.293CS..EExtended strand (participates in β ladder)trans-117.8145.2176.600000110.4E117 F124 Y125 H127A115-E117 PolarHBondContact O-N 2.87Å; A115-F124 WeakPolarHBondContact O-CA 3.31Å; A115-Y125 HydrophobicContact CB-CD1 4.26Å; A115-Y125 HydrophobicContact CB-CE1 3.61Å; A115-Y125 PolarHBondContact N-O 3.17Å; A115-Y125 VanDerWaalsContact O-CD1 3.28Å; A115-Y125 WeakPolarHBondContact O-CD1 3.28Å; A115-Y125 PolarHBondContact O-N 3.05Å; A115-H127 HydrophobicContact CB-CB 3.96Å
116P93.9Very high92.5Very high51 Ų5147 Ų4733%0.33128%0.276SS..EExtended strand (participates in β ladder)trans-66.6134.3177.727.5-34.4000110.8S87 D88 G118 K123 F124S87-P116 WeakPolarHBondContact O-CG 3.07Å; D88-P116 HydrophobicContact CB-CG 4.11Å; P116-G118 PolarHBondContact O-N 2.66Å; P116-G118 VanDerWaalsContact O-N 3.16Å; P116-K123 WeakPolarHBondContact CA-O 3.23Å; P116-F124 HydrophobicContact CB-CE1 4.49Å
117E88.4Confident92.6Very high41 Ų4146.6 Ų46.619%0.19228%0.277CS..  trans-84.889.3172.4-164.4-172.413400108.8A115 S119 V120 K123 Y125A115-E117 PolarHBondContact O-N 2.87Å; E117-S119 PolarHBondContact O-N 3.21Å; E117-V120 PolarHBondContact O-N 2.99Å; E117-K123 HydrophobicContact CB-CB 4.35Å; E117-K123 HydrophobicContact CB-CD 4.11Å; E117-K123 HydrophobicContact CB-CG 4.16Å; E117-K123 HydrophobicContact CG-CD 4.44Å; E117-K123 PolarHBondContact N-O 2.8Å; E117-K123 IonicContact OE1-NZ 3.35Å; E117-K123 PolarHBondContact OE1-NZ 3.09Å; E117-K123 WeakPolarHBondContact OE2-CD 3.39Å; E117-K123 WeakPolarHBondContact OE2-CE 3.29Å; E117-K123 IonicContact OE2-NZ 2.64Å; E117-K123 PolarHBondContact OE2-NZ 2.93Å; E117-Y125 HydrophobicContact CB-CD1 4.25Å
118G78.3Confident92.7Very high87 Ų8743.1 Ų43.190%0.89726%0.264SS*.THydrogen-bonded Turntrans-6012.7-16100000119.6P116P116-G118 PolarHBondContact O-N 2.66Å; P116-G118 VanDerWaalsContact O-N 3.16Å
119S77.3Confident92.8Very high99 Ų9942.9 Ų42.969%0.69226%0.263SS*.THydrogen-bonded Turntrans-103.5-12.4167.257.80000113.8E117E117-S119 PolarHBondContact O-N 3.21Å
120V83.1Confident92.8Very high61 Ų6142.6 Ų42.637%0.3726%0.262SS..SBendtrans-134.8124.2-175.5-175.30000110.9E117 K123E117-V120 PolarHBondContact O-N 2.99Å; V120-K123 HydrophobicContact CB-CB 3.74Å; V120-K123 HydrophobicContact CB-CD 3.74Å; V120-K123 HydrophobicContact CB-CG 4.39Å; V120-K123 HydrophobicContact CG1-CB 3.83Å; V120-K123 HydrophobicContact CG1-CD 4.07Å; V120-K123 HydrophobicContact CG2-CD 3.97Å; V120-K123 WeakPolarHBondContact O-CB 3.3Å; V120-K123 PolarHBondContact O-N 3.13Å
121P83.6Confident92.8Very high116 Ų11642.6 Ų42.675%0.75326%0.262SS*.THydrogen-bonded Turntrans-64.5142.8179.327.8-35000111.6K123P121-K123 PolarHBondContact O-N 2.87Å
122N83.4Confident92.6Very high52 Ų5243 Ų4328%0.27826%0.259SS..THydrogen-bonded Turntrans57.113-177.7-58.4-19.7000115.3
123K90.1Very high92.4Very high12 Ų1244.2 Ų44.25%0.05226%0.264CS..  trans-91.8131.9172.4-166.2-176.4-176-158.70109.9P116 E117 V120 P121 A243 F244P116-K123 WeakPolarHBondContact CA-O 3.23Å; E117-K123 HydrophobicContact CB-CB 4.35Å; E117-K123 HydrophobicContact CB-CD 4.11Å; E117-K123 HydrophobicContact CB-CG 4.16Å; E117-K123 HydrophobicContact CG-CD 4.44Å; E117-K123 PolarHBondContact N-O 2.8Å; E117-K123 IonicContact OE1-NZ 3.35Å; E117-K123 PolarHBondContact OE1-NZ 3.09Å; E117-K123 WeakPolarHBondContact OE2-CD 3.39Å; E117-K123 WeakPolarHBondContact OE2-CE 3.29Å; E117-K123 IonicContact OE2-NZ 2.64Å; E117-K123 PolarHBondContact OE2-NZ 2.93Å; V120-K123 HydrophobicContact CB-CB 3.74Å; V120-K123 HydrophobicContact CB-CD 3.74Å; V120-K123 HydrophobicContact CB-CG 4.39Å; V120-K123 HydrophobicContact CG1-CB 3.83Å; V120-K123 HydrophobicContact CG1-CD 4.07Å; V120-K123 HydrophobicContact CG2-CD 3.97Å; V120-K123 WeakPolarHBondContact O-CB 3.3Å; V120-K123 PolarHBondContact O-N 3.13Å; P121-K123 PolarHBondContact O-N 2.87Å; K123-A243 PolarHBondContact NZ-O 3.45Å; K123-F244 WeakPolarHBondContact CE-O 3.27Å; K123-F244 PolarHBondContact NZ-O 2.91Å
124F95Very high92.1Very high29 Ų2946.1 Ų46.113%0.12727%0.27CS..EExtended strand (participates in β ladder)trans-126.3148.1179.3-67.9-93.3000110.6V11 V90 L114 A115 P116V11-F124 HydrophobicContact CG1-CD2 3.96Å; V11-F124 HydrophobicContact CG1-CE2 3.97Å; V11-F124 HydrophobicContact CG1-CG 4.34Å; V11-F124 HydrophobicContact CG1-CZ 4.36Å; V11-F124 HydrophobicContact CG2-CE2 4.13Å; V90-F124 HydrophobicContact CG2-CE1 4.31Å; L114-F124 HydrophobicContact CB-CB 4.41Å; L114-F124 HydrophobicContact CB-CD1 4.18Å; A115-F124 WeakPolarHBondContact O-CA 3.31Å; P116-F124 HydrophobicContact CB-CE1 4.49Å
125Y96.8Very high91.6Very high59 Ų5949.3 Ų49.323%0.23129%0.288CS..EExtended strand (participates in β ladder)trans-122.7155.6167.377-80.7000109.9F33 L114 A115 E117 H127F33-Y125 CarbonylContact O-C 3.55Å; F33-Y125 WeakPolarHBondContact O-CA 3.32Å; L114-Y125 WeakPolarHBondContact CA-O 3.25Å; A115-Y125 HydrophobicContact CB-CD1 4.26Å; A115-Y125 HydrophobicContact CB-CE1 3.61Å; A115-Y125 PolarHBondContact N-O 3.17Å; A115-Y125 VanDerWaalsContact O-CD1 3.28Å; A115-Y125 WeakPolarHBondContact O-CD1 3.28Å; A115-Y125 PolarHBondContact O-N 3.05Å; E117-Y125 HydrophobicContact CB-CD1 4.25Å; Y125-H127 HydrophobicContact CE2-CB 4.02Å; Y125-H127 PolarHBondContact O-N 3.35Å
126V98.4Very high91.1Very high1 Ų150.6 Ų50.61%0.00629%0.291CS..EExtended strand (participates in β ladder)trans-76.8109.8175.8-1800000108.4F15 F33 Y34 S38 F112 L114 N128 D129F15-V126 HydrophobicContact CD2-CG2 4.46Å; F15-V126 HydrophobicContact CE1-CG2 4.49Å; F15-V126 HydrophobicContact CE2-CG2 3.38Å; F15-V126 HydrophobicContact CZ-CG2 3.42Å; F15-V126 VanDerWaalsContact CZ-CG2 3.42Å; F33-V126 HydrophobicContact CB-CG2 3.98Å; F33-V126 PolarHBondContact O-N 3.44Å; Y34-V126 HydrophobicContact CD1-CB 3.83Å; Y34-V126 HydrophobicContact CD1-CG1 3.82Å; Y34-V126 HydrophobicContact CE1-CB 3.97Å; Y34-V126 HydrophobicContact CE1-CG1 3.6Å; Y34-V126 HydrophobicContact CG-CB 4.47Å; S38-V126 VanDerWaalsContact CB-O 3.27Å; S38-V126 WeakPolarHBondContact CB-O 3.49Å; S38-V126 PolarHBondContact OG-O 2.72Å; F112-V126 HydrophobicContact CD1-CG1 4.03Å; L114-V126 HydrophobicContact CD2-CB 4.49Å; L114-V126 HydrophobicContact CD2-CG2 3.79Å; V126-N128 WeakPolarHBondContact CG1-O 3.36Å; V126-D129 HydrophobicContact CG1-CB 3.9Å
127H98.1Very high90.5Very high62 Ų6251.7 Ų51.729%0.28730%0.296SS..EExtended strand (participates in β ladder)trans-83.3-44.3175.1-176.448.6000111.5N37 S38 S39 V113 A115 Y125N37-H127 PolarHBondContact O-CE1 2.82Å; N37-H127 PolarHBondContact O-ND1 3.06Å; S38-H127 CarbonylContact C-O 3.51Å; S38-H127 WeakPolarHBondContact CA-O 3.48Å; S39-H127 PolarHBondContact N-O 3.44Å; V113-H127 WeakPolarHBondContact O-CA 3.43Å; V113-H127 WeakPolarHBondContact O-CB 3.35Å; V113-H127 PolarHBondContact O-N 2.64Å; A115-H127 HydrophobicContact CB-CB 3.96Å; Y125-H127 HydrophobicContact CE2-CB 4.02Å; Y125-H127 PolarHBondContact O-N 3.35Å
128N98.5Very high90.1Very high42 Ų4255.6 Ų55.623%0.22531%0.313CS..EExtended strand (participates in β ladder)trans-126.6140.4172.6-48.8106.8000109.9S39 F112 V113 V126S39-N128 PolarHBondContact OG-ND2 3.18Å; F112-N128 CarbonylContact C-O 3.55Å; F112-N128 VanDerWaalsContact CA-O 3.29Å; F112-N128 WeakPolarHBondContact CA-O 3.49Å; V113-N128 HydrophobicContact CB-CB 3.97Å; V113-N128 WeakPolarHBondContact CB-OD1 3.42Å; V113-N128 HydrophobicContact CG2-CB 4.05Å; V113-N128 PolarHBondContact N-O 2.84Å; V113-N128 PolarHBondContact O-N 3.29Å; V126-N128 WeakPolarHBondContact CG1-O 3.36Å
129D98.6Very high89.3Confident0 Ų053 Ų530%029%0.287CS..EExtended strand (participates in β ladder)trans-133.9118.8170.2-175.3-11.7000108.5Y19 Y34 S39 Y40 V41 Q110 F112 V126Y19-D129 PolarHBondContact OH-OD2 2.82Å; Y34-D129 HydrophobicContact CE1-CB 3.84Å; Y34-D129 PolarHBondContact OH-OD2 3.4Å; S39-D129 PolarHBondContact O-N 3.37Å; Y40-D129 WeakPolarHBondContact CA-O 3.46Å; Y40-D129 HydrophobicContact CD2-CB 3.93Å; Y40-D129 WeakPolarHBondContact CD2-OD2 3.19Å; Y40-D129 WeakPolarHBondContact CE2-OD2 3.46Å; V41-D129 PolarHBondContact N-O 2.82Å; Q110-D129 PolarHBondContact NE2-OD1 3.03Å; Q110-D129 PolarHBondContact NE2-OD2 3.24Å; F112-D129 HydrophobicContact CD1-CB 4.15Å; F112-D129 HydrophobicContact CE1-CB 4.38Å; F112-D129 WeakPolarHBondContact CE1-OD2 3.4Å; V126-D129 HydrophobicContact CG1-CB 3.9Å
130I98Very high88.1Confident83 Ų8356.1 Ų56.143%0.42630%0.295SS..EExtended strand (participates in β ladder)trans-129.896.1-177.3-54175.2000108V41 Q110 T111V41-I130 HydrophobicContact CG1-CB 4.17Å; V41-I130 HydrophobicContact CG1-CG1 4.32Å; V41-I130 HydrophobicContact CG1-CG2 3.87Å; Q110-I130 CarbonylContact C-O 3.51Å; Q110-I130 VanDerWaalsContact CA-O 3.3Å; Q110-I130 WeakPolarHBondContact CA-O 3.32Å; T111-I130 PolarHBondContact N-O 3.34Å; T111-I130 PolarHBondContact O-N 3.29Å
131F97.6Very high86.5Confident0 Ų057.9 Ų57.90%031%0.31CS..EExtended strand (participates in β ladder)trans-105.3133173.9176.3-71.2000110.4V41 H42 G43 L98 F108 Q110 Y133V41-F131 PolarHBondContact O-N 2.79Å; H42-F131 HydrophobicContact CB-CB 4.38Å; H42-F131 AromaticContact CD2-CD1 3.98Å; H42-F131 AromaticContact CE1-CD1 3.54Å; H42-F131 AromaticContact CE1-CD2 3.43Å; H42-F131 VanDerWaalsContact CE1-CD2 3.43Å; H42-F131 WeakPolarHBondContact CE1-CD2 3.18Å; H42-F131 AromaticContact CE1-CE1 3.69Å; H42-F131 AromaticContact CE1-CE2 3.57Å; H42-F131 AromaticContact CE1-CG 3.43Å; H42-F131 VanDerWaalsContact CE1-CG 3.43Å; H42-F131 WeakPolarHBondContact CE1-CG 3.09Å; H42-F131 AromaticContact CE1-CZ 3.7Å; H42-F131 AromaticContact CG-CD1 3.8Å; H42-F131 AromaticContact CG-CG 3.98Å; H42-F131 WeakPolarHBondContact ND1-CB 3.49Å; H42-F131 AromaticContact ND1-CD1 3.52Å; H42-F131 AromaticContact ND1-CD2 3.67Å; H42-F131 AromaticContact ND1-CG 3.27Å; H42-F131 VanDerWaalsContact ND1-CG 3.27Å; H42-F131 WeakPolarHBondContact ND1-CG 3.28Å; H42-F131 AromaticContact NE2-CD1 3.85Å; H42-F131 AromaticContact NE2-CE1 3.72Å; H42-F131 AromaticContact NE2-CZ 3.9Å; G43-F131 PolarHBondContact N-O 3.47Å; L98-F131 HydrophobicContact CD1-CE2 4Å; L98-F131 HydrophobicContact CD1-CZ 4.2Å; F108-F131 HydrophobicContact CB-CD2 4.34Å; F108-F131 HydrophobicContact CB-CE1 4.08Å; F108-F131 HydrophobicContact CB-CE2 3.57Å; F108-F131 HydrophobicContact CB-CZ 3.41Å; F108-F131 VanDerWaalsContact CB-CZ 3.41Å; F108-F131 AromaticContact CD1-CE2 3.9Å; F108-F131 HydrophobicContact CD1-CE2 3.9Å; F108-F131 HydrophobicContact CD1-CZ 4.19Å; F108-F131 AromaticContact CD2-CD2 3.7Å; F108-F131 HydrophobicContact CD2-CD2 3.7Å; F108-F131 AromaticContact CD2-CE2 3.33Å; F108-F131 HydrophobicContact CD2-CE2 3.33Å; F108-F131 HydrophobicContact CD2-CZ 4.12Å; F108-F131 HydrophobicContact CE1-CE2 4.43Å; F108-F131 HydrophobicContact CE2-CD2 4.27Å; F108-F131 AromaticContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CE2-CE2 3.96Å; F108-F131 HydrophobicContact CG-CD2 4.11Å; F108-F131 AromaticContact CG-CE2 3.31Å; F108-F131 HydrophobicContact CG-CE2 3.31Å; F108-F131 AromaticContact CG-CZ 3.66Å; F108-F131 HydrophobicContact CG-CZ 3.66Å; F108-F131 HydrophobicContact CZ-CE2 4.46Å; Q110-F131 HydrophobicContact CB-CB 4.2Å; Q110-F131 HydrophobicContact CB-CD2 3.9Å; Q110-F131 HydrophobicContact CB-CG 4.44Å; Q110-F131 HydrophobicContact CG-CB 3.78Å; Q110-F131 HydrophobicContact CG-CD2 4.05Å; Q110-F131 HydrophobicContact CG-CG 4.41Å; F131-Y133 AromaticContact CE1-CD1 3.92Å; F131-Y133 HydrophobicContact CE1-CD1 3.92Å; F131-Y133 AromaticContact CE1-CD2 3.66Å; F131-Y133 HydrophobicContact CE1-CD2 3.66Å; F131-Y133 AromaticContact CE1-CE1 3.8Å; F131-Y133 HydrophobicContact CE1-CE1 3.8Å; F131-Y133 AromaticContact CE1-CE2 3.54Å; F131-Y133 HydrophobicContact CE1-CE2 3.54Å; F131-Y133 AromaticContact CE1-CG 3.87Å; F131-Y133 HydrophobicContact CE1-CG 3.87Å; F131-Y133 AromaticContact CE1-CZ 3.61Å; F131-Y133 AromaticContact CZ-CD1 3.95Å; F131-Y133 HydrophobicContact CZ-CD1 3.95Å; F131-Y133 HydrophobicContact CZ-CD2 4.46Å; F131-Y133 AromaticContact CZ-CE1 3.63Å; F131-Y133 HydrophobicContact CZ-CE1 3.63Å; F131-Y133 HydrophobicContact CZ-CE2 4.19Å; F131-Y133 HydrophobicContact CZ-CG 4.37Å; F131-Y133 AromaticContact CZ-CZ 3.76Å
132R95.1Very high85Confident50 Ų5060.7 Ų60.719%0.18931%0.313CS..EExtended strand (participates in β ladder)trans-134.8140.6168.3-66.8-65.4-175.7-159.6-2.5109.3G43 P51 Q52 F108 M109 V137G43-R132 PolarHBondContact O-NH1 2.98Å; P51-R132 VanDerWaalsContact CB-CZ 3.48Å; Q52-R132 PolarHBondContact O-NH1 3.06Å; Q52-R132 PolarHBondContact O-NH2 3.03Å; F108-R132 WeakPolarHBondContact CA-O 3.31Å; F108-R132 WeakPolarHBondContact CB-O 3.3Å; M109-R132 HydrophobicContact CG-CB 4.42Å; M109-R132 PolarHBondContact N-O 3.22Å; M109-R132 PolarHBondContact O-N 3.45Å; R132-V137 HydrophobicContact CB-CG2 4.18Å
133Y94.5Very high83.1Confident25 Ų2560.7 Ų60.710%0.09833%0.325CS..EExtended strand (participates in β ladder)trans-75.1157.9165-64.4-81.8000110.1L98 R106 K107 F108 F131 D135 E136 V137L98-Y133 HydrophobicContact CD2-CE1 4.37Å; R106-Y133 HydrophobicContact CB-CD1 3.5Å; R106-Y133 VanDerWaalsContact CB-CD1 3.5Å; R106-Y133 HydrophobicContact CB-CE1 3.72Å; R106-Y133 HydrophobicContact CB-CG 4.47Å; R106-Y133 HydrophobicContact CG-CD1 4.48Å; R106-Y133 VanDerWaalsContact CZ-CD2 3.49Å; R106-Y133 VanDerWaalsContact NH1-CE2 3.29Å; K107-Y133 WeakPolarHBondContact O-CA 3.27Å; F108-Y133 HydrophobicContact CB-CD1 4.23Å; F131-Y133 AromaticContact CE1-CD1 3.92Å; F131-Y133 HydrophobicContact CE1-CD1 3.92Å; F131-Y133 AromaticContact CE1-CD2 3.66Å; F131-Y133 HydrophobicContact CE1-CD2 3.66Å; F131-Y133 AromaticContact CE1-CE1 3.8Å; F131-Y133 HydrophobicContact CE1-CE1 3.8Å; F131-Y133 AromaticContact CE1-CE2 3.54Å; F131-Y133 HydrophobicContact CE1-CE2 3.54Å; F131-Y133 AromaticContact CE1-CG 3.87Å; F131-Y133 HydrophobicContact CE1-CG 3.87Å; F131-Y133 AromaticContact CE1-CZ 3.61Å; F131-Y133 AromaticContact CZ-CD1 3.95Å; F131-Y133 HydrophobicContact CZ-CD1 3.95Å; F131-Y133 HydrophobicContact CZ-CD2 4.46Å; F131-Y133 AromaticContact CZ-CE1 3.63Å; F131-Y133 HydrophobicContact CZ-CE1 3.63Å; F131-Y133 HydrophobicContact CZ-CE2 4.19Å; F131-Y133 HydrophobicContact CZ-CG 4.37Å; F131-Y133 AromaticContact CZ-CZ 3.76Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.41Å; Y133-E136 VanDerWaalsContact CD2-OE1 3.28Å; Y133-E136 WeakPolarHBondContact CD2-OE1 3.41Å; Y133-V137 WeakPolarHBondContact O-CG2 3.12Å
134E91.8Very high80.8Confident79 Ų7969.2 Ų69.237%0.36937%0.365SS..SBendtrans-74.8-39.6-179.7-162.1170.5118.300111.6K107 V137 F138K107-E134 HydrophobicContact CB-CB 3.81Å; K107-E134 WeakPolarHBondContact CB-OE2 3.18Å; K107-E134 HydrophobicContact CD-CB 4.38Å; K107-E134 HydrophobicContact CD-CG 4.36Å; K107-E134 WeakPolarHBondContact CD-OE1 3.39Å; K107-E134 WeakPolarHBondContact CD-OE2 3.14Å; K107-E134 WeakPolarHBondContact CE-OE1 3.26Å; K107-E134 IonicContact NZ-OE1 2.72Å; K107-E134 PolarHBondContact NZ-OE1 3.32Å; K107-E134 PolarHBondContact O-N 3.12Å; E134-V137 PolarHBondContact O-N 2.68Å; E134-V137 VanDerWaalsContact O-N 3.17Å; E134-F138 HydrophobicContact CG-CD2 3.75Å; E134-F138 HydrophobicContact CG-CE2 4.22Å; E134-F138 VanDerWaalsContact O-CD2 3.28Å; E134-F138 WeakPolarHBondContact O-CD2 3.35Å; E134-F138 PolarHBondContact O-N 2.91Å
135D87.9Confident78.4Confident70 Ų7075.7 Ų75.737%0.37440%0.4SS..Hα-helixtrans-63.5-38.5176.447.626000113R106 Y133 V137 G139R106-D135 IonicContact CZ-OD1 2.76Å; R106-D135 IonicContact CZ-OD2 2.66Å; R106-D135 IonicContact NE-OD1 3.74Å; R106-D135 PolarHBondContact NE-OD1 3.36Å; R106-D135 IonicContact NE-OD2 3.35Å; R106-D135 PolarHBondContact NE-OD2 2.76Å; R106-D135 IonicContact NH2-OD1 2.8Å; R106-D135 PolarHBondContact NH2-OD1 2.94Å; R106-D135 IonicContact NH2-OD2 3.66Å; Y133-D135 WeakPolarHBondContact CB-OD1 3.41Å; D135-V137 PolarHBondContact O-N 3.44Å; D135-V137 VanDerWaalsContact O-N 3.08Å; D135-G139 VanDerWaalsContact O-CA 3.3Å; D135-G139 WeakPolarHBondContact O-CA 3.35Å; D135-G139 PolarHBondContact O-N 2.88Å
136E85.4Confident75.7Confident44 Ų4479.8 Ų79.821%0.20643%0.426CS..Hα-helixtrans-67.6-0.8173.5-79.3167.8-159.500114.9G43 G44 R106 Y133G43-E136 VanDerWaalsContact C-OE2 3.3Å; G43-E136 WeakPolarHBondContact CA-OE2 3.46Å; G44-E136 VanDerWaalsContact N-CD 3.35Å; G44-E136 PolarHBondContact N-OE1 2.76Å; G44-E136 PolarHBondContact N-OE2 3.06Å; R106-E136 IonicContact CZ-OE1 3.36Å; R106-E136 IonicContact NH1-OE1 3.09Å; R106-E136 PolarHBondContact NH1-OE1 2.97Å; R106-E136 VanDerWaalsContact NH2-CD 3.31Å; R106-E136 IonicContact NH2-OE1 2.87Å; R106-E136 PolarHBondContact NH2-OE1 3.4Å; Y133-E136 VanDerWaalsContact CD2-OE1 3.28Å; Y133-E136 WeakPolarHBondContact CD2-OE1 3.41Å
137V80.7Confident73.1Confident74 Ų7488.8 Ų88.845%0.44847%0.468SS..Hα-helixtrans-127.8-24.7-178.6-178.70000112.3R132 Y133 E134 D135R132-V137 HydrophobicContact CB-CG2 4.18Å; Y133-V137 WeakPolarHBondContact O-CG2 3.12Å; E134-V137 PolarHBondContact O-N 2.68Å; E134-V137 VanDerWaalsContact O-N 3.17Å; D135-V137 PolarHBondContact O-N 3.44Å; D135-V137 VanDerWaalsContact O-N 3.08Å
138F79.2Confident70.3Confident122 Ų12295.7 Ų95.754%0.53550%0.501SS..Hα-helixtrans-131.42.9-175.7-53.8-71.5000114.2E134 S141E134-F138 HydrophobicContact CG-CD2 3.75Å; E134-F138 HydrophobicContact CG-CE2 4.22Å; E134-F138 VanDerWaalsContact O-CD2 3.28Å; E134-F138 WeakPolarHBondContact O-CD2 3.35Å; E134-F138 PolarHBondContact O-N 2.91Å; F138-S141 PolarHBondContact O-OG 3.4Å
139G61.3Low67.7Low34 Ų3498.6 Ų98.635%0.35152%0.524SS..G310 helixtrans-66.6-37.8-176.900000114D135 S141 E142D135-G139 VanDerWaalsContact O-CA 3.3Å; D135-G139 WeakPolarHBondContact O-CA 3.35Å; D135-G139 PolarHBondContact O-N 2.88Å; G139-S141 PolarHBondContact O-N 2.79Å; G139-E142 PolarHBondContact O-N 3.29Å
140D53Low65.2Low163 Ų163108 Ų10887%0.87257%0.568SS**G310 helixtrans-62.5-13.6-177.7-54.5-15.9000113.5
141S50.5Low62.3Low98 Ų98112.9 Ų112.969%0.68559%0.589SS**G310 helixtrans-93-1.2179.9380000116F138 G139F138-S141 PolarHBondContact O-OG 3.4Å; G139-S141 PolarHBondContact O-N 2.79Å
142E50.7Low59.3Low176 Ų176121.6 Ų121.682%0.82263%0.63SS**SBendtrans-119.111177.2-63.1-168.9152.200113.4G139G139-E142 PolarHBondContact O-N 3.29Å
143G44.1Very low56.4Low51 Ų51125.3 Ų125.353%0.52666%0.658SS.*SBendtrans-109.2-27.5-169.500000118.7L145G143-L145 PolarHBondContact O-N 2.94Å
144E41.6Very low53.9Low192 Ų192133.6 Ų133.690%0.89770%0.697SS**THydrogen-bonded Turntrans-92.218.8-168.4-68.9-166147.700115.5
145L44.1Very low51.3Low164 Ų164138.3 Ų138.386%0.85972%0.719SS**THydrogen-bonded Turntrans-115.4-9.4-174.8-69.5178.7000116.4G143G143-L145 PolarHBondContact O-N 2.94Å
146D41.5Very low48.7Very low145 Ų145143.4 Ų143.478%0.77574%0.741SS**SBendtrans-115.6-0.9-170.7-73.1-37000115.4
147E43.8Very low46.2Very low191 Ų191151.1 Ų151.189%0.89378%0.777SS**SBendtrans-109.84.5-172.4-68.2-163161.400116.9
148E39.6Very low44.2Very low207 Ų207156.9 Ų156.997%0.96780%0.799SS**SBendtrans-102.313.1178.2-80.9-153.8152.200115.5
149S42.5Very low42.1Very low103 Ų103158.4 Ų158.472%0.7281%0.808SS**SBendtrans-141.841.4-172.975.50000117.9
150E45.5Very low40.6Very low196 Ų196168.6 Ų168.692%0.91684%0.836SS**SBendtrans-154.551.2168.4-132.8167.9-112.500116.3
151E37.8Very low39.7Very low186 Ų186168.3 Ų168.387%0.86983%0.829SS**  trans-150.4126.8163.3-127.6169.3-145.800113.6
152E35.5Very low38.9Very low184 Ų184169.8 Ų169.886%0.8684%0.837SS**  trans59.6138173.5-50.5-168.9156.500117.2
153V33.9Very low37.9Very low127 Ų127167.2 Ų167.277%0.7784%0.838SS**  cis-137.2129.124.31780000111.4
154E40.8Very low37.9Very low199 Ų199170.5 Ų170.593%0.9385%0.85SS**  trans-104.3108.8154.4-81.4-163.8131.800109.2
155E37.4Very low37.5Very low178 Ų178169.6 Ų169.683%0.83285%0.846SS**  trans-158.2160.3156.7-131.5171.8-156.800112.6
156E34.5Very low37.4Very low177 Ų177167.4 Ų167.483%0.82784%0.842SS**  trans5589172.6-60-158.1139.500119.8
157Q32.3Very low37Very low207 Ų207165.8 Ų165.897%0.96784%0.836SS**  trans-152.869.9133.5-138.8159.9111.300114.8
158E38.1Very low36.6Very low194 Ų194164 Ų16491%0.90783%0.828SS**  trans-116.986.8170.3-169.9178.9-150.100112.1
159E35Very low36.1Very low155 Ų155160.7 Ų160.772%0.72481%0.813SS**  trans-161.1111.4146.7-115.5-146.7133.700112.6Q161E159-Q161 PolarHBondContact OE1-NE2 3.47Å
160R30.9Very low35.4Very low248 Ų248162.4 Ų162.494%0.93681%0.814SS**  trans-154.799.7151-138.6172.1-164.6-105.8-1.1112.5
161Q32.7Very low34.7Very low157 Ų157156.9 Ų156.973%0.73480%0.801SS**  trans-70.8142.6-179.9-56.2176.821.800111.8E159E159-Q161 PolarHBondContact OE1-NE2 3.47Å
162P34.7Very low34.3Very low129 Ų129153.6 Ų153.684%0.83880%0.799SS**  trans-84.6156.2169.134.8-34.1000112
163S29.4Very low34.2Very low122 Ų122150.3 Ų150.385%0.85380%0.797SS**  trans-148149.2170.4-157.40000109.9
164P44.8Very low34Very low120 Ų120147.7 Ų147.778%0.77979%0.788SS**  trans-99-174.4-15039-38.1000117.3
165E33.8Very low33.8Very low172 Ų172149.1 Ų149.180%0.80479%0.787SS**  trans-44.8166.2-172.6-48.1-179.7119.400118.3
166P41.6Very low33.6Very low119 Ų119150.2 Ų150.277%0.77379%0.785SS**  -142.4129.298.536.6-22.6000117.9
167V32.7Very low33.4Very low110 Ų110148.6 Ų148.667%0.66778%0.777SS**  63.1127.1123.1-1730000122.2
168Q34.8Very low33.3Very low154 Ų154145.4 Ų145.472%0.7277%0.767SS**  trans103.9109.9145.5-97.5175-45.600124.2
169E30Very low33.1Very low138 Ų138143.6 Ų143.665%0.64576%0.758SS**  74.8127.6127.4-88.7178-129.200124.6
170N28.2Very low34.2Very low139 Ų139141.1 Ų141.174%0.74376%0.755SS**  trans64.1130.6140-63.6-31000119
171A30.3Very low34.2Very low79 Ų79135 Ų13565%0.65375%0.745SS**  cis-165.7173.51000000111.9
172S30Very low34.1Very low117 Ų117133.4 Ų133.482%0.81875%0.746SS**  trans62.2145.9162.246.90000118.3
173S31.7Very low33.8Very low116 Ų116134 Ų13481%0.81174%0.742SS**  cis-159.5176.91.332.70000111.4
174A30.3Very low33.9Very low72 Ų72130.8 Ų130.860%0.59573%0.729SS**  trans-40.1155174.800000115.4
175Y35.9Very low33.3Very low229 Ų229131.9 Ų131.990%0.89873%0.727SS**  -157.6151.160.5-92.7-87.7000117
176Y34.2Very low33.3Very low200 Ų200132.5 Ų132.578%0.78473%0.73SS**  trans-73166.6159-101.1-64.9000110.9
177E29.5Very low32.9Very low143 Ų143134.4 Ų134.467%0.66873%0.728SS**  cis-156-178.8-2.3-167.2147.1-15100110.2
178N30.4Very low33.4Very low140 Ų140134.8 Ų134.875%0.74973%0.733SS**  trans-76.8-173.4170.3-81.2-60.5000114.2
179H34.4Very low33.4Very low156 Ų156134.7 Ų134.772%0.72274%0.737SS**  trans109.3162.6155.3-53.6-66.1000116.2
180P58.6Low33.4Very low103 Ų103137.5 Ų137.567%0.66975%0.75SS**  -146.8-150.5-103.436.5-9000116
181V29.7Very low33.6Very low120 Ų120139.5 Ų139.573%0.72775%0.754SS**  trans75.7140.9155-85.10000125.3
182T30.8Very low34.5Very low123 Ų123140.8 Ų140.876%0.75576%0.756SS**  trans66.6152.2154.450.90000118.4
183N29.9Very low34.3Very low141 Ų141141.1 Ų141.175%0.75476%0.759SS**  cis-149-176.84.6-12912.3000109.1
184G30Very low34.1Very low55 Ų55143.4 Ų143.457%0.56776%0.756SS**  cis127.6143.1-1.500000113.4
185I32.8Very low34.1Very low144 Ų144147.7 Ų147.774%0.73876%0.764SS**  trans75145.7174.2-64166.5000113.7
186E33.6Very low34.5Very low185 Ų185142.6 Ų142.686%0.86476%0.759SS**  cis-144.2-179.216.8-147.4135.5-126.700113.9
187E34.2Very low34.4Very low158 Ų158140.4 Ų140.474%0.73876%0.756SS**  trans-129.2160.2173-164.4-169.7-115.400109.5
188P43.4Very low35.2Very low118 Ų118139.1 Ų139.177%0.76676%0.759SS**  -151.6161.9115.437.9-20.8000118.2
189L33.6Very low35.2Very low153 Ų153139.3 Ų139.380%0.80176%0.756SS**  trans-49.7157.1172.6-60.4116.1000118.3
190E30.1Very low35.1Very low197 Ų197138.4 Ų138.492%0.92176%0.756SS**  trans-156.8139.2132.8-129.9172.9-149.800114.3
191E31.9Very low33.8Very low180 Ų180141.6 Ų141.684%0.84176%0.762SS**  trans-163.7171.9173.6-120.1-164.2-149.500106.2
192P50Low33.9Very low106 Ų106140 Ų14069%0.68876%0.756SS**  cis-139.2-166.79.844.1-25.4000114.6
193S26.2Very low34Very low125 Ų125142.7 Ų142.787%0.87476%0.76SS**  trans177.6170.1133.540.40000113.2
194H27.2Very low33.8Very low164 Ų164141.9 Ų141.976%0.75976%0.76SS**  trans-134.2142.8-156.5-124.8-108.8000114
195E30.8Very low33.7Very low162 Ų162147 Ų14776%0.75777%0.767SS**  trans61.3169.6146-85.3176.414400120.7
196P42.7Very low33.4Very low121 Ų121145.7 Ų145.779%0.78677%0.766SS**  cis-128179.810.943.6-28.4000117.8
197E33.5Very low33.4Very low155 Ų155143.2 Ų143.272%0.72475%0.754SS**  trans-77.1169.7171.3-135.7176.4-178.200113
198P44.7Very low33.2Very low115 Ų115143.6 Ų143.675%0.74776%0.756SS**  -134.9149.890.639.9-28.4000112.8
199E30.4Very low32.8Very low144 Ų144144.9 Ų144.967%0.67376%0.756SS**  53.413469.2-70.5-158.615000114.3
200L34.1Very low32.5Very low138 Ų138147 Ų14772%0.72376%0.759SS**  cis-139.3-150.32.3-119.3166.2000108.9
201E31.3Very low32.4Very low170 Ų170141.5 Ų141.579%0.79475%0.747SS**  cis-150.3-119.518.5-159.1172.7-125.800111.9
202S31.4Very low32.3Very low87 Ų87141.4 Ų141.461%0.60875%0.747SS**  trans-144.2-177.3-168.252.70000111.7
203E31.3Very low31.2Very low178 Ų178140.7 Ų140.783%0.83275%0.749SS**  cis-140.9153.620.7-56.4172.9129.500110.1
204T27.1Very low31.3Very low125 Ų125142 Ų14277%0.76774%0.742SS**  cis8187.724.568.50000119.3
205K27.5Very low31.6Very low161 Ų161141.8 Ų141.870%0.774%0.741SS**  trans-172.4144.2131.3-126.3168.4-177-83.80109E207K205-E207 IonicContact NZ-OE1 3.43Å; K205-E207 PolarHBondContact NZ-OE1 2.8Å; K205-E207 IonicContact NZ-OE2 3.58Å; K205-E207 PolarHBondContact NZ-OE2 2.59Å
206T27.1Very low31.5Very low118 Ų118139.8 Ų139.872%0.72473%0.73SS**  cis53.514941.757.30000114.4
207E32.5Very low30.6Very low132 Ų132139.9 Ų139.962%0.61773%0.728SS**  cis-126.4179.1-0.5-58.374.7-126.300108.6K205K205-E207 IonicContact NZ-OE1 3.43Å; K205-E207 PolarHBondContact NZ-OE1 2.8Å; K205-E207 IonicContact NZ-OE2 3.58Å; K205-E207 PolarHBondContact NZ-OE2 2.59Å
208E30Very low30.6Very low166 Ų166138.7 Ų138.778%0.77673%0.726SS**  cis-160.6176.5-5.8-130-69.170.700109.1
209L34.8Very low30.2Very low145 Ų145140.4 Ų140.476%0.75972%0.724SS**  trans-80.9148.7174.9-65.3157.8000114.4
210K28.3Very low30.2Very low198 Ų198141.9 Ų141.986%0.86173%0.731SS**  -174-175.7124.6-115.5-172.1175-166.20115.4
211A28.8Very low30.1Very low82 Ų82142.1 Ų142.168%0.67873%0.733SS**  trans-127.9-160.4-167.400000112.4
212E28Very low30.2Very low178 Ų178143.6 Ų143.683%0.83274%0.74SS**  trans74.8151.9176.6-61.1178.3107.500115.2
213A26.9Very low30.2Very low90 Ų90146.9 Ų146.974%0.74475%0.745SS**  cis-162.1-172.5-2400000109.6
214E30Very low30.2Very low154 Ų154145.8 Ų145.872%0.7274%0.738SS**  trans-42.9152.7-177.8-50.9-175.6162.800118K216E214-K216 WeakPolarHBondContact OE2-CE 3.43Å; E214-K216 IonicContact OE2-NZ 2.67Å; E214-K216 PolarHBondContact OE2-NZ 2.96Å
215E31.8Very low30.3Very low159 Ų159144.7 Ų144.774%0.74374%0.735SS**  -142.6-153.7117.5-161.951.7-71.100110.3
216K29.4Very low31.1Very low119 Ų119143 Ų14352%0.51774%0.74SS.*  trans-163.8-172.9-144.7-132.7151.8-73.2108.10113E214E214-K216 WeakPolarHBondContact OE2-CE 3.43Å; E214-K216 IonicContact OE2-NZ 2.67Å; E214-K216 PolarHBondContact OE2-NZ 2.96Å
217T24.5Very low31.4Very low124 Ų124142.7 Ų142.776%0.76174%0.743SS**  trans77.5143.1166.678.90000117
218L33.2Very low31.9Very low130 Ų130142 Ų14268%0.68175%0.75SS**  cis-159.8151.8-15.1-142.570.6000111.6
219E35.3Very low32.5Very low151 Ų151140 Ų14071%0.70675%0.752SS**  trans46.5165.9148.6-79.3147.8-145.800121.3
220E31.4Very low32.9Very low174 Ų174139.2 Ų139.281%0.81376%0.755SS**  cis-144.6116.715.9-169.4172.6138.100108.8
221L31.9Very low33.1Very low144 Ų144134.4 Ų134.475%0.75475%0.753SS**  57.6123.4101.5-74.4168.7000119.4
222E32.3Very low33.6Very low201 Ų201139.5 Ų139.594%0.93976%0.762SS**  trans-156.8161132.1-123.3-173.715400111.9
223E32.8Very low34.3Very low155 Ų155136.6 Ų136.672%0.72476%0.759SS**  trans-108.1175.4-167.9-88.4-161.5116.900113.7
224K30.1Very low34.5Very low156 Ų156138.8 Ų138.868%0.67876%0.762SS**  cis175.4123-35.6172.3-173.1171.2-176.40112.2
225S30.4Very low35Very low102 Ų102136.7 Ų136.771%0.71377%0.765SS**  trans63.1178157.4830000118.2
226P43.9Very low35.2Very low124 Ų124137 Ų13781%0.80577%0.771SS**  cis-124.7-175.9-14.131.7-11.7000113.8
227S32.6Very low35.7Very low112 Ų112136.9 Ų136.978%0.78378%0.782SS**  trans-112.5159.2179.853.50000114
228P43.6Very low36.4Very low118 Ų118140.2 Ų140.277%0.76679%0.789SS**  trans-108.7163.8159.737.6-29.6000112.9
229P42.5Very low37Very low124 Ų124140.6 Ų140.681%0.80579%0.788SS**  trans-105.8-157.4-17247.5-39.6000111.9
230P42.6Very low37.6Very low128 Ų128138 Ų13883%0.83178%0.784SS**  -114.2170.6-120.723.70.2000115.1
231A33.9Very low38.4Very low98 Ų98135.1 Ų135.181%0.8178%0.78SS**  trans-137.7142.7167.800000110.9
232E39.2Very low39.1Very low189 Ų189135.5 Ų135.588%0.88378%0.776SS**  trans-73155.9173.1-56.4-178.4142.900110.9
233P42.3Very low39.5Very low116 Ų116128.1 Ų128.175%0.75375%0.749SS**  -149.2147.3104.736.2-19.9000117.1
234V30.6Very low40.4Very low136 Ų136126.8 Ų126.882%0.82474%0.741SS**  trans50.2120.6140.2-174.60000119.9
235S40.5Very low41.3Very low111 Ų111120.7 Ų120.778%0.77672%0.718SS**  trans-74.9135.9172.655.80000115.1
236L35.4Very low42.3Very low165 Ų165118.2 Ų118.286%0.86469%0.693SS**  trans-135.1162.3158.9-90.3174000109.2
237P41.1Very low42.3Very low116 Ų116114.5 Ų114.575%0.75367%0.673SS**PPolyproline II helixtrans-75.1152.8-146.127.3-36.3000116.2
238Q39Very low42.5Very low194 Ų194113.4 Ų113.491%0.90767%0.665SS**PPolyproline II helixtrans-60.3133.6173.2-71.8179.1-36.700112.2
239E46.4Very low42.6Very low139 Ų139112.9 Ų112.965%0.6566%0.66SS**PPolyproline II helixtrans-65.1148156.4-71.4-176.7110.600110.3K242E239-K242 WeakPolarHBondContact OE1-CE 3.46Å; E239-K242 IonicContact OE1-NZ 3.03Å; E239-K242 PolarHBondContact OE1-NZ 3.42Å; E239-K242 WeakPolarHBondContact OE2-CE 3.43Å; E239-K242 IonicContact OE2-NZ 2.8Å; E239-K242 PolarHBondContact OE2-NZ 3Å
240P47.4Very low42.6Very low96 Ų96110.9 Ų110.962%0.62365%0.645SS**PPolyproline II helixtrans-63.8151.4172.228.6-35.3000111.3K242P240-K242 PolarHBondContact O-N 3.22Å; P240-K242 VanDerWaalsContact O-N 3.17Å
241P47.1Very low42.4Very low114 Ų114109.5 Ų109.574%0.7464%0.639SS**PPolyproline II helixtrans-58.8121.5-177.623.5-33.7000111.4
242K46.5Very low42.8Very low151 Ų151113.8 Ų113.866%0.65764%0.639SS**PPolyproline II helixtrans-72.8126.5179.2-71.4165.7177.7166.30109.1E239 P240 F244E239-K242 WeakPolarHBondContact OE1-CE 3.46Å; E239-K242 IonicContact OE1-NZ 3.03Å; E239-K242 PolarHBondContact OE1-NZ 3.42Å; E239-K242 WeakPolarHBondContact OE2-CE 3.43Å; E239-K242 IonicContact OE2-NZ 2.8Å; E239-K242 PolarHBondContact OE2-NZ 3Å; P240-K242 PolarHBondContact O-N 3.22Å; P240-K242 VanDerWaalsContact O-N 3.17Å; K242-F244 PolarHBondContact O-N 2.91Å
243A41.9Very low42.8Very low47 Ų47112.5 Ų112.539%0.38864%0.638SS.*PPolyproline II helixtrans-59.9129.1-174.600000111.5K123K123-A243 PolarHBondContact NZ-O 3.45Å
244F50.6Low42.9Very low127 Ų127114.4 Ų114.456%0.55764%0.641SS**PPolyproline II helixtrans-73.7151.9-174.2-165.2-100.8000111.8K123 K242K123-F244 WeakPolarHBondContact CE-O 3.27Å; K123-F244 PolarHBondContact NZ-O 2.91Å; K242-F244 PolarHBondContact O-N 2.91Å
245S50.5Low43.3Very low28 Ų28113.5 Ų113.520%0.19664%0.638CS.*  trans-107.7115.6179.5-162.80000111.3A247S245-A247 VanDerWaalsContact C-N 3.31Å; S245-A247 PolarHBondContact O-N 2.93Å
246W51Low43.4Very low50 Ų50114.6 Ų114.619%0.18964%0.643CS.*G310 helixtrans-67.9-32.8179.677.8-109.4000112.3E14 S248 V249E14-W246 HydrophobicContact CB-CH2 4.03Å; W246-S248 PolarHBondContact O-N 2.94Å; W246-V249 PolarHBondContact O-N 2.79Å
247A42.9Very low43.3Very low46 Ų46112.8 Ų112.838%0.3864%0.644SS.*G310 helixtrans-65.9-2.1-17400000115.3S245S245-A247 VanDerWaalsContact C-N 3.31Å; S245-A247 PolarHBondContact O-N 2.93Å
248S36.8Very low42.9Very low88 Ų88110.3 Ų110.362%0.61564%0.64SS**G310 helixtrans-92.6-0.5178.3-58.10000114.6W246W246-S248 PolarHBondContact O-N 2.94Å
249V46.4Very low42.7Very low107 Ų107107.9 Ų107.965%0.64864%0.638SS**SBendtrans-96.3-18.6-171.1-177.80000113.9W246W246-V249 PolarHBondContact O-N 2.79Å
250T42.9Very low42Very low82 Ų82108.1 Ų108.150%0.50365%0.649SS.*SBendtrans-96.4-4.8-167.1450000116.1K252T250-K252 VanDerWaalsContact C-N 3.26Å; T250-K252 PolarHBondContact O-N 2.95Å
251S38.3Very low41.2Very low100 Ų100108.9 Ų108.970%0.69966%0.657SS**THydrogen-bonded Turntrans-80.521.3-169.750.20000116.4
252K40.9Very low40.6Very low188 Ų188108.7 Ų108.782%0.81766%0.658SS**THydrogen-bonded Turntrans-119.51.6-173.8-80.5-165.9173.2-172.80117.4T250T250-K252 VanDerWaalsContact C-N 3.26Å; T250-K252 PolarHBondContact O-N 2.95Å
253N40.4Very low40.1Very low161 Ų161107.1 Ų107.186%0.86167%0.666SS**  trans-130.680.8178.2-76.7-46.8000112.1
254L43.5Very low39.5Very low157 Ų157108 Ų10882%0.82268%0.68SS**  trans-137.6133.9167.9-87.9148.2000107.9
255P40.3Very low38.7Very low117 Ų117110.2 Ų110.276%0.7670%0.695SS**  trans-74145.9-18030.4-34.5000111.7S257P255-S257 PolarHBondContact O-N 3.43Å
256P42.2Very low38.8Very low134 Ų134114.2 Ų114.287%0.8772%0.721SS**  trans-79.4118.1179.730.9-33.4000112
257S33.9Very low38.6Very low126 Ų126118.2 Ų118.288%0.88175%0.753SS**  trans-154.6137.8164.8-175.60000108.6P255P255-S257 PolarHBondContact O-N 3.43Å
258G32Very low38Very low65 Ų65124.5 Ų124.567%0.6777%0.774SS**  cis-161.9162.6-4.100000110
259T34.2Very low37.9Very low142 Ų142125.5 Ų125.587%0.87178%0.777SS**  trans-83.2129.4-171.150.20000114.1
260V32Very low37.2Very low144 Ų144129.7 Ų129.787%0.87379%0.786SS**  trans-139.7160.1151.8-73.90000109.6
261S30Very low36.8Very low113 Ų113129.8 Ų129.879%0.7980%0.796SS**  trans-150.5169.6-171.6-81.10000113.4
262S35.4Very low36.9Very low109 Ų109131.2 Ų131.276%0.76280%0.802SS**  trans97.6127.1162.8780000119.7
263S34.8Very low36.5Very low119 Ų119128.6 Ų128.683%0.83280%0.802SS**  trans41.4143144.352.40000122.9
264G30.2Very low36.3Very low66 Ų66126.7 Ų126.768%0.6880%0.801SS**  cis156.4166.4-6.900000115.3
265I34.8Very low36Very low172 Ų172127.7 Ų127.788%0.88280%0.801SS**  trans82.6128.8166.4-52176000117.6
266P51.1Low36.6Very low112 Ų112127.4 Ų127.473%0.72780%0.8SS**  trans-111.1174.2177.342.3-35.2000114.5
267P47.3Very low36Very low135 Ų135130.5 Ų130.588%0.87779%0.794SS**  trans-115.1176.4151.534.9-23.8000113.5
268H30.9Very low35.9Very low177 Ų177130.2 Ų130.282%0.81979%0.786SS**  trans-134.8-169.8-162.4-172.4-86.7000110.1
269V35Very low36Very low109 Ų109133.1 Ų133.166%0.66178%0.783SS**  trans80.4133.4163.4-178.30000114.5
270K31.2Very low35.8Very low195 Ų195133.4 Ų133.485%0.84878%0.784SS**  cis-154.7168.70-127.4163.9-155.6167.80110.8
271A34.3Very low36Very low85 Ų85133.5 Ų133.570%0.70277%0.773SS**  trans-117.6166.5160.600000110.9
272P41.3Very low36.7Very low129 Ų129133.6 Ų133.684%0.83877%0.771SS**  trans-121.1159.8157.737.5-27000113.5
273V32.7Very low36.5Very low134 Ų134135.1 Ų135.181%0.81277%0.766SS**  trans-143.4137.5-178.9170.60000110.3
274S35Very low36.6Very low121 Ų121133 Ų13385%0.84676%0.756SS**  trans-163.2154.5159.147.40000112.4
275Q36.8Very low36.8Very low177 Ų177139 Ų13983%0.82777%0.766SS**  trans-125.9-158.1-174.7-54.2-179.4-28.900109.2
276P53.8Low36.7Very low111 Ų111136.2 Ų136.272%0.72176%0.762SS**  cis-143.3-169.5-8.141.2-20.5000117.4
277R28.6Very low35.7Very low200 Ų200139.5 Ų139.576%0.75577%0.767SS**  trans80.2152.9159-107.8-167.1147.1164.3-2.1118E279R277-E279 IonicContact CZ-OE2 3.59Å; R277-E279 IonicContact NE-OE2 3.24Å; R277-E279 PolarHBondContact NE-OE2 3.47Å; R277-E279 IonicContact NH2-OE2 3Å; R277-E279 PolarHBondContact NH2-OE2 3.05Å
278V32.7Very low35.5Very low119 Ų119138.7 Ų138.772%0.72176%0.762SS**  cis-135.3167.518.1-174.60000113.4
279E33.8Very low36.6Very low126 Ų126135.3 Ų135.359%0.58976%0.756SS**  trans-66.9164.4-178.9-56.5123.993.800116R277R277-E279 IonicContact CZ-OE2 3.59Å; R277-E279 IonicContact NE-OE2 3.24Å; R277-E279 PolarHBondContact NE-OE2 3.47Å; R277-E279 IonicContact NH2-OE2 3Å; R277-E279 PolarHBondContact NH2-OE2 3.05Å
280T30.9Very low36.4Very low148 Ų148141.5 Ų141.591%0.90877%0.767SS**  -176.7168.981.439.40000113.8
281K34.6Very low36.5Very low147 Ų147139.1 Ų139.164%0.63977%0.769SS**  trans-148.5142.5-177.4-173.7-137174.7-177.50113.4E283K281-E283 WeakPolarHBondContact CE-OE1 3.37Å; K281-E283 IonicContact NZ-OE1 2.73Å; K281-E283 PolarHBondContact NZ-OE1 2.86Å; K281-E283 IonicContact NZ-OE2 2.63Å; K281-E283 PolarHBondContact NZ-OE2 2.88Å
282P44.5Very low36.6Very low114 Ų114145 Ų14574%0.7477%0.773SS**  trans-130.1167.3131.837.3-25.5000112.2
283E33Very low36.1Very low142 Ų142144.8 Ų144.866%0.66476%0.76SS**  cis88.1131.717.2-12676.6-7300116.2K281K281-E283 WeakPolarHBondContact CE-OE1 3.37Å; K281-E283 IonicContact NZ-OE1 2.73Å; K281-E283 PolarHBondContact NZ-OE1 2.86Å; K281-E283 IonicContact NZ-OE2 2.63Å; K281-E283 PolarHBondContact NZ-OE2 2.88Å
284A36.8Very low36.1Very low74 Ų74144.3 Ų144.361%0.61275%0.75SS**  cis-169.2-175.6-28.700000110.8
285Q34.1Very low36Very low192 Ų192149 Ų14990%0.89775%0.749SS**  trans75.2151.4167.5-53.8-1796.900117.3
286S31.4Very low36.3Very low113 Ų113145.8 Ų145.879%0.7974%0.743SS**  cis-163.2168-14.846.50000112.8
287Q30.6Very low35.4Very low181 Ų181151.2 Ų151.285%0.84675%0.749SS**  trans-82.4173.2-179.5-82.6-170.68.600114.3
288P42.8Very low35.6Very low119 Ų119149.8 Ų149.877%0.77375%0.751SS**  cis-152.1-141.249.545.3-17.9000117.6
289P55.1Low35.9Very low106 Ų106155 Ų15569%0.68876%0.758SS**  -138.9-168-117.442.5-18.9000120.1
290R30.8Very low36.1Very low239 Ų239155 Ų15590%0.90277%0.769SS**  trans87.2162.5175.1-52-178.9171.3-178.8-2.4115.2
291V32.3Very low36.2Very low144 Ų144151 Ų15187%0.87376%0.757SS**  cis-137.2-179.914.9-175.70000111.1
292R35.9Very low36.4Very low209 Ų209154 Ų15479%0.78977%0.771SS**  trans-127.7157.2-175.5154.1-177.3170.8177.8-2.9113.5
293E31.7Very low36.6Very low124 Ų124153.7 Ų153.758%0.57977%0.768SS**  trans104.5152.9171.8-63.6-58.2103.500116.9
294Q32.9Very low37.1Very low125 Ų125153 Ų15358%0.58478%0.776SS**  cis-168138.3-40.8-143.2-150.5125.200113.5
295R33.1Very low37.2Very low220 Ų220161.7 Ų161.783%0.8379%0.793SS**  trans59.1167.7160.2-82.9-175.5-168.7-152.1-0119.3
296P43.3Very low37.5Very low109 Ų109155.8 Ų155.871%0.70878%0.784SS**  cis-133.3-172.8-2938.4-20.7000114.8
297R34.8Very low38.3Very low225 Ų225156.7 Ų156.785%0.84979%0.787SS**  trans72.9153.6172.2-72.5171.4167.2171.90.1115.8
298E32.3Very low38.6Very low169 Ų169159.8 Ų159.879%0.7979%0.791SS**  cis-144.2-174.66.6-144.7144.2-118.100112.9
299R38.3Very low38.4Very low228 Ų228159.9 Ų159.986%0.8679%0.792SS**  trans-146.3132.8-172.6-168.3-165.4-159.5-152.99.4114
300P38.8Very low37.5Very low128 Ų128158.3 Ų158.383%0.83180%0.795SS**  trans-134.9165.1132.733.7-19.7000112.1
301G32.3Very low37.7Very low64 Ų64157.9 Ų157.966%0.6679%0.793SS**  cis13284.2-0.100000112.2
302F39.1Very low37.7Very low210 Ų210154.6 Ų154.692%0.92179%0.789SS**  trans-120.6152.7177-93.3-97.1000112
303P49.3Very low38Very low106 Ų106150.2 Ų150.269%0.68878%0.781SS**PPolyproline II helixtrans-99.5161.5-156.438.1-36.5000115.8
304P44.5Very low38.4Very low128 Ų128153.5 Ų153.583%0.83180%0.799SS**PPolyproline II helixtrans-77.8161.1170.234.1-35.8000112.7
305R37.2Very low38.9Very low256 Ų256156.5 Ų156.597%0.96681%0.812SS**PPolyproline II helixtrans-94.4129.3177.2-120.1179.8-179178-0.4111.4
306G41.4Very low39.1Very low68 Ų68155.2 Ų155.270%0.70182%0.816SS**PPolyproline II helixtrans-88.6172.9170.200000113.7
307P48.3Very low38.7Very low132 Ų132156.8 Ų156.886%0.85782%0.818SS**PPolyproline II helixtrans-87.3160.8-169.635.2-37000114.5
308R35.5Very low39.1Very low246 Ų246155.4 Ų155.493%0.92882%0.822SS**  trans-147.7157.1159.3-99.3-165174.2-169-2.5111.9
309P40.5Very low39.8Very low121 Ų121152 Ų15279%0.78682%0.817SS**  trans-103.8168.4-169.440.2-35.7000114.3
310G34.5Very low39.8Very low73 Ų73148.5 Ų148.575%0.75382%0.815SS**  trans109.397.5131.500000119.3
311R36.3Very low39.7Very low230 Ų230149 Ų14987%0.86881%0.811SS**  trans71.1131.2142.4-158.7174.1-171.9-173.64.2120.3D313R311-D313 IonicContact CZ-OD2 3.38Å; R311-D313 IonicContact NE-OD2 2.91Å; R311-D313 PolarHBondContact NE-OD2 3.02Å; R311-D313 IonicContact NH2-OD2 2.96Å; R311-D313 PolarHBondContact NH2-OD2 3.49Å
312G31.8Very low40.1Very low76 Ų76152.8 Ų152.878%0.78481%0.805SS**  trans-174.194.3166.100000108.8
313D42.8Very low40.4Very low117 Ų117152.2 Ų152.263%0.62680%0.797SS**  trans-71.7137.6-177.5-78.9-84.5000112.1R311R311-D313 IonicContact CZ-OD2 3.38Å; R311-D313 IonicContact NE-OD2 2.91Å; R311-D313 PolarHBondContact NE-OD2 3.02Å; R311-D313 IonicContact NH2-OD2 2.96Å; R311-D313 PolarHBondContact NH2-OD2 3.49Å
314M40.6Very low40.5Very low193 Ų193154.2 Ų154.295%0.95180%0.8SS**  trans-161.1121.9154-113.6173.4-174.900110.5
315E42.3Very low40.7Very low187 Ų187152.9 Ų152.987%0.87479%0.785SS**  trans-83.2175.2-179.3-62.616610000112.5
316Q37.7Very low41.8Very low193 Ų193151.3 Ų151.390%0.90278%0.779SS**  trans79.5110.3-177.5-50.7-179.7-1.800113.7
317N34.3Very low43Very low142 Ų142150.3 Ų150.376%0.75975%0.754SS**  -154.395.456.8-174.329.1000111.6
318E44Very low44.3Very low197 Ų197147 Ų14792%0.92173%0.733SS**  trans-106.955-163.6-158.1173.7160.100113.4
319S45.9Very low46.1Very low98 Ų98138 Ų13869%0.68570%0.703SS**SBendtrans-133.6-23-177.5-56.40000116.1
320D39.9Very low47.9Very low154 Ų154134.4 Ų134.482%0.82468%0.681SS**SBendtrans-106.31.6-174.5-91.7-59.9000115.1
321N35.8Very low50.3Low138 Ų138132.6 Ų132.674%0.73865%0.653SS**  trans-115.425.5-179-151.85.9000113.6R323N321-R323 PolarHBondContact O-N 3.35Å
322R41.5Very low52.7Low144 Ų144122.8 Ų122.854%0.54362%0.617SS.*  trans-68.485.7162.7-168.6175-175128.411107.7I324 V358 E359R322-I324 PolarHBondContact O-N 2.98Å; R322-V358 PolarHBondContact NH2-O 2.99Å; R322-E359 IonicContact CZ-OE2 3.89Å; R322-E359 IonicContact NE-OE2 2.61Å; R322-E359 PolarHBondContact NE-OE2 3.23Å; R322-E359 VanDerWaalsContact NH2-CB 3.3Å; R322-E359 IonicContact NH2-OE2 2.61Å; R322-E359 PolarHBondContact NH2-OE2 3.48Å
323R44.8Very low55.3Low198 Ų198119.1 Ų119.175%0.74758%0.579SS**  trans-40.8133.7165.6-60.1172.4-174.4153.32.1107.3N321 I325N321-R323 PolarHBondContact O-N 3.35Å; R323-I325 PolarHBondContact O-N 3.18Å
324I50.6Low57.5Low148 Ų148114.7 Ų114.776%0.75956%0.555SS**  trans-71.282.6175.2-55.8175.7000107.2R322 R326R322-I324 PolarHBondContact O-N 2.98Å; I324-R326 HydrophobicContact CG2-CG 4.35Å; I324-R326 PolarHBondContact O-N 3.34Å
325I50.3Low59.6Low100 Ų100105.5 Ų105.551%0.51351%0.509SS..  trans-64107.8168.9-60.2168.3000104.5R323 Y327R323-I325 PolarHBondContact O-N 3.18Å; I325-Y327 HydrophobicContact CB-CD2 4.18Å; I325-Y327 HydrophobicContact CB-CE2 3.57Å; I325-Y327 WeakPolarHBondContact CD1-OH 3.11Å; I325-Y327 HydrophobicContact CG2-CD1 4.25Å; I325-Y327 HydrophobicContact CG2-CD2 3.93Å; I325-Y327 HydrophobicContact CG2-CE1 3.84Å; I325-Y327 HydrophobicContact CG2-CE2 3.5Å; I325-Y327 VanDerWaalsContact CG2-CE2 3.5Å; I325-Y327 HydrophobicContact CG2-CG 4.27Å; I325-Y327 VanDerWaalsContact CG2-CZ 3.4Å; I325-Y327 WeakPolarHBondContact O-CD2 3Å; I325-Y327 PolarHBondContact O-N 2.72Å
326R59.2Low61.5Low222 Ų22296.8 Ų96.884%0.83847%0.47SS*.  trans-78.176.8176-67.9179.4178.4-86.40.5107.7I324I324-R326 HydrophobicContact CG2-CG 4.35Å; I324-R326 PolarHBondContact O-N 3.34Å
327Y67.6Low63.6Low48 Ų4891.4 Ų91.419%0.18845%0.447CS..  trans-49.9137.8161.8-61.2-81.7000108I325 Q332 V358 V378I325-Y327 HydrophobicContact CB-CD2 4.18Å; I325-Y327 HydrophobicContact CB-CE2 3.57Å; I325-Y327 WeakPolarHBondContact CD1-OH 3.11Å; I325-Y327 HydrophobicContact CG2-CD1 4.25Å; I325-Y327 HydrophobicContact CG2-CD2 3.93Å; I325-Y327 HydrophobicContact CG2-CE1 3.84Å; I325-Y327 HydrophobicContact CG2-CE2 3.5Å; I325-Y327 VanDerWaalsContact CG2-CE2 3.5Å; I325-Y327 HydrophobicContact CG2-CG 4.27Å; I325-Y327 VanDerWaalsContact CG2-CZ 3.4Å; I325-Y327 WeakPolarHBondContact O-CD2 3Å; I325-Y327 PolarHBondContact O-N 2.72Å; Y327-Q332 PolarHBondContact O-NE2 2.71Å; Y327-V358 HydrophobicContact CE1-CG1 4.45Å; Y327-V358 HydrophobicContact CE2-CG1 4.29Å; Y327-V358 WeakPolarHBondContact OH-CG1 3.47Å; Y327-V378 HydrophobicContact CD1-CG1 4.23Å; Y327-V378 HydrophobicContact CD2-CG1 3.57Å; Y327-V378 HydrophobicContact CE2-CG1 4.34Å; Y327-V378 HydrophobicContact CG-CG1 3.52Å
328P74Confident65.8Low62 Ų6284.9 Ų84.940%0.40341%0.412SS..  trans-61.3156.5176.928.4-35.5000109.8S330 H331 Q332P328-S330 PolarHBondContact O-N 2.85Å; P328-H331 HydrophobicContact CG-CB 4.28Å; P328-H331 VanDerWaalsContact CG-CD2 3.43Å; P328-H331 WeakPolarHBondContact CG-CD2 3.32Å; P328-H331 PolarHBondContact O-N 3.27Å; P328-H331 VanDerWaalsContact O-N 3.1Å; P328-Q332 PolarHBondContact O-NE2 2.99Å
329D73.6Confident67.3Low57 Ų5777 Ų7731%0.30538%0.378SS..G310 helixtrans-67.9-18.2-176.4-79.8-11.8000112.4H331 Q332 K407D329-H331 VanDerWaalsContact C-N 3.35Å; D329-Q332 PolarHBondContact O-N 2.74Å; D329-Q332 PolarHBondContact OD1-NE2 3.38Å; D329-K407 IonicContact OD1-NZ 3.73Å; D329-K407 PolarHBondContact OD1-NZ 2.8Å; D329-K407 IonicContact OD2-NZ 2.76Å
330S78.8Confident68.3Low46 Ų4677.5 Ų77.532%0.32237%0.369SS..G310 helixtrans-69-23.8170.850.50000114.5P328P328-S330 PolarHBondContact O-N 2.85Å
331H84.3Confident69.9Low35 Ų3576.5 Ų76.516%0.16236%0.364CS..G310 helixtrans-89.24.7174.4-64.9-154.6000111.3P328 D329 F379 D380P328-H331 HydrophobicContact CG-CB 4.28Å; P328-H331 VanDerWaalsContact CG-CD2 3.43Å; P328-H331 WeakPolarHBondContact CG-CD2 3.32Å; P328-H331 PolarHBondContact O-N 3.27Å; P328-H331 VanDerWaalsContact O-N 3.1Å; D329-H331 VanDerWaalsContact C-N 3.35Å; H331-F379 PolarHBondContact O-N 3.34Å; H331-D380 PolarHBondContact CE1-O 3.23Å; H331-D380 PolarHBondContact ND1-O 3.1Å
332Q87.1Confident71.8Confident23 Ų2370.9 Ų70.911%0.10733%0.333CS..EExtended strand (participates in β ladder)trans-116.7122.9-174.4-65.8172.168.500111.3Y327 P328 D329 V377 V378 K407Y327-Q332 PolarHBondContact O-NE2 2.71Å; P328-Q332 PolarHBondContact O-NE2 2.99Å; D329-Q332 PolarHBondContact O-N 2.74Å; D329-Q332 PolarHBondContact OD1-NE2 3.38Å; Q332-V377 WeakPolarHBondContact CA-O 3.37Å; Q332-V378 HydrophobicContact CG-CB 4.39Å; Q332-V378 HydrophobicContact CG-CG1 3.88Å; Q332-V378 HydrophobicContact CG-CG2 4.01Å; Q332-K407 HydrophobicContact CB-CB 3.87Å; Q332-K407 HydrophobicContact CB-CD 3.58Å; Q332-K407 HydrophobicContact CB-CG 4.35Å; Q332-K407 HydrophobicContact CG-CD 4.27Å; Q332-K407 WeakPolarHBondContact O-CB 3.4Å; Q332-K407 PolarHBondContact O-N 2.99Å
333L87.3Confident73.6Confident0 Ų068.5 Ų68.50%033%0.332CS..EExtended strand (participates in β ladder)trans-101.2125.4-178-164.476.8000109.8V335 F351 F376 V377 F379 V385 I388 V404L333-V335 HydrophobicContact CD2-CG2 3.73Å; L333-V335 HydrophobicContact CG-CG2 4.07Å; L333-F351 HydrophobicContact CD2-CD1 4.07Å; L333-F351 HydrophobicContact CD2-CE1 3.6Å; L333-F351 HydrophobicContact CD2-CZ 3.93Å; L333-F376 VanDerWaalsContact O-CA 3.3Å; L333-F376 WeakPolarHBondContact O-CA 3.32Å; L333-V377 HydrophobicContact CB-CB 4.17Å; L333-V377 HydrophobicContact CD2-CB 4.48Å; L333-V377 PolarHBondContact N-O 3.01Å; L333-V377 PolarHBondContact O-N 2.93Å; L333-F379 HydrophobicContact CB-CE2 4.08Å; L333-F379 HydrophobicContact CD2-CE2 4.09Å; L333-V385 HydrophobicContact CB-CG2 4.44Å; L333-V385 HydrophobicContact CD1-CB 4.39Å; L333-V385 HydrophobicContact CD1-CG1 3.88Å; L333-V385 HydrophobicContact CD1-CG2 4.37Å; L333-I388 HydrophobicContact CD1-CG2 3.81Å; L333-I388 HydrophobicContact CD2-CD1 4Å; L333-I388 HydrophobicContact CD2-CG2 3.82Å; L333-I388 HydrophobicContact CG-CG2 4.42Å; L333-V404 HydrophobicContact CD1-CG1 3.42Å; L333-V404 VanDerWaalsContact CD1-CG1 3.42Å; L333-V404 HydrophobicContact CD2-CG1 3.72Å; L333-V404 HydrophobicContact CG-CG1 3.56Å
334F87.8Confident75.4Confident24 Ų2464.1 Ų64.111%0.10532%0.32CS..EExtended strand (participates in β ladder)trans-85.2127.9165.8173.7-99.5000109.5F374 F376 V404 E405F334-F374 HydrophobicContact CE2-CB 3.73Å; F334-F374 AromaticContact CE2-CD2 3.76Å; F334-F374 HydrophobicContact CE2-CD2 3.76Å; F334-F374 AromaticContact CE2-CG 3.96Å; F334-F374 HydrophobicContact CE2-CG 3.96Å; F334-F374 HydrophobicContact CZ-CB 3.86Å; F334-F374 HydrophobicContact CZ-CG 4.38Å; F334-F376 HydrophobicContact CB-CD1 4.47Å; F334-F376 HydrophobicContact CB-CE1 4.34Å; F334-F376 HydrophobicContact CD2-CD1 4.27Å; F334-F376 AromaticContact CD2-CE1 3.68Å; F334-F376 HydrophobicContact CD2-CE1 3.68Å; F334-F376 HydrophobicContact CD2-CZ 4.04Å; F334-F376 HydrophobicContact CG-CE1 4.5Å; F334-V404 WeakPolarHBondContact O-CA 3.15Å; F334-E405 HydrophobicContact CB-CB 4.32Å; F334-E405 HydrophobicContact CD1-CB 4.05Å; F334-E405 HydrophobicContact CD1-CG 4.35Å; F334-E405 PolarHBondContact N-O 3.02Å; F334-E405 PolarHBondContact O-N 3Å
335V85.7Confident76.9Confident0 Ų061 Ų610%031%0.311CS..EExtended strand (participates in β ladder)trans-122.496.3179.7-172.40000108.6L333 L338 F351 F374 G375 V377 L402 V404L333-V335 HydrophobicContact CD2-CG2 3.73Å; L333-V335 HydrophobicContact CG-CG2 4.07Å; V335-L338 HydrophobicContact CG1-CD2 3.67Å; V335-L338 HydrophobicContact CG1-CG 4.15Å; V335-F351 HydrophobicContact CG1-CE2 4.22Å; V335-F351 HydrophobicContact CG1-CZ 4.08Å; V335-F351 HydrophobicContact CG2-CE2 3.81Å; V335-F351 HydrophobicContact CG2-CZ 3.65Å; V335-F374 CarbonylContact O-C 3.58Å; V335-F374 VanDerWaalsContact O-CA 3.27Å; V335-F374 WeakPolarHBondContact O-CA 2.96Å; V335-G375 PolarHBondContact N-O 3.29Å; V335-G375 PolarHBondContact O-N 2.69Å; V335-V377 HydrophobicContact CG2-CG2 3.81Å; V335-L402 HydrophobicContact CG1-CB 4.29Å; V335-L402 HydrophobicContact CG1-CD1 3.89Å; V335-L402 HydrophobicContact CG1-CD2 4.38Å; V335-L402 HydrophobicContact CG1-CG 4.42Å; V335-V404 HydrophobicContact CG1-CG2 4.48Å
336G82.4Confident78.5Confident4 Ų459.7 Ų59.74%0.04130%0.303CS..EExtended strand (participates in β ladder)trans-91.3167.5173.600000112.7L338 N403G336-L338 VanDerWaalsContact C-N 3.31Å; G336-L338 PolarHBondContact O-N 3.33Å; G336-N403 PolarHBondContact N-O 2.61Å; G336-N403 PolarHBondContact O-N 3.11Å
337N80.4Confident79.7Confident80 Ų8049.1 Ų49.143%0.42826%0.263SS..EExtended strand (participates in β ladder)trans60.337.4-178.2-158.458.2000113.5N373 V400 R401 N403N337-N373 PolarHBondContact N-O 3.08Å; N337-V400 WeakPolarHBondContact O-CG1 3.38Å; N337-R401 PolarHBondContact ND2-O 2.88Å; N337-N403 HydrophobicContact CB-CB 4.44Å
338L81.4Confident80.5Confident5 Ų550.4 Ų50.43%0.02627%0.269CS..EExtended strand (participates in β ladder)trans-68.6144.6166.9-65.7171.7000109.4V335 G336 I342 L347 I362 N373 L402V335-L338 HydrophobicContact CG1-CD2 3.67Å; V335-L338 HydrophobicContact CG1-CG 4.15Å; G336-L338 VanDerWaalsContact C-N 3.31Å; G336-L338 PolarHBondContact O-N 3.33Å; L338-I342 HydrophobicContact CB-CG2 4.28Å; L338-I342 HydrophobicContact CD2-CG1 4.32Å; L338-L347 HydrophobicContact CD1-CD2 3.91Å; L338-L347 HydrophobicContact CD2-CD1 3.69Å; L338-L347 HydrophobicContact CD2-CD2 3.68Å; L338-L347 HydrophobicContact CD2-CG 4.37Å; L338-L347 HydrophobicContact CG-CD2 4.49Å; L338-I362 HydrophobicContact CD1-CG2 4.13Å; L338-N373 HydrophobicContact CB-CB 3.73Å; L338-N373 PolarHBondContact N-O 2.94Å; L338-L402 HydrophobicContact CD2-CD2 3.85Å
339P74.6Confident81.1Confident31 Ų3154.2 Ų54.220%0.20128%0.282CS..  trans-67.1167.9174.126.5-29000111.3I342 N373P339-I342 HydrophobicContact CG-CB 4.06Å; P339-I342 HydrophobicContact CG-CD1 4.26Å; P339-I342 WeakPolarHBondContact O-CG2 3.5Å; P339-N373 PolarHBondContact O-ND2 2.88Å
340H68.6Low81.6Confident109 Ų10954.1 Ų54.151%0.50528%0.279SS..SBendtrans-72.9-35.8177.3-73.1-56.9000112.4I342 N373H340-I342 VanDerWaalsContact C-N 3.26Å; H340-I342 PolarHBondContact O-N 2.98Å; H340-N373 WeakPolarHBondContact CA-ND2 3.3Å
341D72.1Confident81.9Confident132 Ų13252 Ų5271%0.70626%0.263SS*.SBendtrans-90.848.4178.7-39.6-71.3000111.5
342I75.8Confident82Confident20 Ų2054.8 Ų54.810%0.10328%0.278CS..  trans-96.2121.1-178.7-172.162.4000111.8L338 P339 H340 L347 I362 F396L338-I342 HydrophobicContact CB-CG2 4.28Å; L338-I342 HydrophobicContact CD2-CG1 4.32Å; P339-I342 HydrophobicContact CG-CB 4.06Å; P339-I342 HydrophobicContact CG-CD1 4.26Å; P339-I342 WeakPolarHBondContact O-CG2 3.5Å; H340-I342 VanDerWaalsContact C-N 3.26Å; H340-I342 PolarHBondContact O-N 2.98Å; I342-L347 HydrophobicContact CD1-CB 4.24Å; I342-L347 HydrophobicContact CD1-CD1 4.26Å; I342-L347 HydrophobicContact CG1-CB 4.4Å; I342-L347 HydrophobicContact CG1-CD2 4.3Å; I342-I362 HydrophobicContact CG1-CD1 4.1Å; I342-I362 HydrophobicContact CG2-CD1 3.97Å; I342-I362 HydrophobicContact CG2-CG2 4.28Å; I342-F396 HydrophobicContact CD1-CD1 4.22Å; I342-F396 HydrophobicContact CD1-CE1 3.41Å; I342-F396 VanDerWaalsContact CD1-CE1 3.41Å; I342-F396 HydrophobicContact CD1-CE2 4.35Å; I342-F396 HydrophobicContact CD1-CZ 3.5Å; I342-F396 VanDerWaalsContact CD1-CZ 3.5Å
343D79Confident81.9Confident95 Ų9558 Ų5851%0.50830%0.303SS..  trans-88.8135.3172.1-72.9-59.9000111.5S345 E346 L347D343-S345 VanDerWaalsContact C-N 3.28Å; D343-S345 PolarHBondContact O-N 3.01Å; D343-E346 HydrophobicContact CB-CB 4.49Å; D343-E346 HydrophobicContact CB-CG 4.48Å; D343-E346 PolarHBondContact O-N 3.2Å; D343-L347 PolarHBondContact O-N 2.79Å; D343-L347 VanDerWaalsContact O-N 3.1Å
344E83.1Confident81.6Confident106 Ų10660.5 Ų60.550%0.49531%0.314SS..Hα-helixtrans-60.1-38.2176.8173.8168.1166.900112L347 K348 L360 I362E344-L347 PolarHBondContact O-N 3.48Å; E344-K348 VanDerWaalsContact O-CB 3.27Å; E344-K348 WeakPolarHBondContact O-CB 3.3Å; E344-K348 PolarHBondContact O-N 2.65Å; E344-L360 HydrophobicContact CG-CB 4.39Å; E344-L360 HydrophobicContact CG-CD2 3.89Å; E344-I362 HydrophobicContact CB-CD1 4.3Å
345S82.6Confident81.4Confident82 Ų8260.2 Ų60.257%0.57332%0.318SS*.Hα-helixtrans-62.5-49.1178.4-52.60000112.4D343 K348 E349D343-S345 VanDerWaalsContact C-N 3.28Å; D343-S345 PolarHBondContact O-N 3.01Å; S345-K348 PolarHBondContact O-N 3.27Å; S345-E349 WeakPolarHBondContact O-CG 3.29Å; S345-E349 PolarHBondContact O-N 3.3Å
346E83Confident81.5Confident72 Ų7264.1 Ų64.134%0.33634%0.339SS..Hα-helixtrans-64.3-42.1177.6-76.1-168.2-157.300111.9D343 K348 E349 F350 F396 R397D343-E346 HydrophobicContact CB-CB 4.49Å; D343-E346 HydrophobicContact CB-CG 4.48Å; D343-E346 PolarHBondContact O-N 3.2Å; E346-K348 VanDerWaalsContact C-N 3.27Å; E346-K348 PolarHBondContact O-N 3.39Å; E346-E349 PolarHBondContact O-N 2.91Å; E346-F350 WeakPolarHBondContact O-CB 3.32Å; E346-F350 PolarHBondContact O-N 2.69Å; E346-F396 HydrophobicContact CB-CZ 4.16Å; E346-R397 IonicContact OE1-CZ 2.65Å; E346-R397 IonicContact OE1-NE 3.29Å; E346-R397 IonicContact OE1-NH2 3.2Å; E346-R397 PolarHBondContact OE1-NH2 2.94Å; E346-R397 IonicContact OE2-CZ 3.1Å; E346-R397 IonicContact OE2-NE 2.71Å; E346-R397 PolarHBondContact OE2-NE 3.25Å; E346-R397 IonicContact OE2-NH2 2.68Å; E346-R397 PolarHBondContact OE2-NH2 3.44Å
347L83.8Confident81.8Confident1 Ų164 Ų641%0.00534%0.337CS..Hα-helixtrans-64.4-37.1178.5-165.864.2000110.7L338 I342 D343 E344 F351 L360 I362 F396 L402L338-L347 HydrophobicContact CD1-CD2 3.91Å; L338-L347 HydrophobicContact CD2-CD1 3.69Å; L338-L347 HydrophobicContact CD2-CD2 3.68Å; L338-L347 HydrophobicContact CD2-CG 4.37Å; L338-L347 HydrophobicContact CG-CD2 4.49Å; I342-L347 HydrophobicContact CD1-CB 4.24Å; I342-L347 HydrophobicContact CD1-CD1 4.26Å; I342-L347 HydrophobicContact CG1-CB 4.4Å; I342-L347 HydrophobicContact CG1-CD2 4.3Å; D343-L347 PolarHBondContact O-N 2.79Å; D343-L347 VanDerWaalsContact O-N 3.1Å; E344-L347 PolarHBondContact O-N 3.48Å; L347-F351 HydrophobicContact CD1-CD2 4.11Å; L347-F351 HydrophobicContact CD1-CE2 3.62Å; L347-F351 HydrophobicContact CG-CD2 4.05Å; L347-F351 HydrophobicContact CG-CE2 3.92Å; L347-F351 WeakPolarHBondContact O-CD2 3.32Å; L347-F351 PolarHBondContact O-N 2.93Å; L347-F351 VanDerWaalsContact O-N 3.13Å; L347-L360 HydrophobicContact CB-CD1 4.06Å; L347-L360 HydrophobicContact CD2-CD1 4.18Å; L347-L360 HydrophobicContact CD2-CD2 4.04Å; L347-L360 HydrophobicContact CG-CD1 4.02Å; L347-I362 HydrophobicContact CD2-CD1 3.93Å; L347-I362 HydrophobicContact CD2-CG1 4.25Å; L347-F396 HydrophobicContact CD1-CD2 4.3Å; L347-F396 HydrophobicContact CD1-CE2 4.16Å; L347-L402 HydrophobicContact CD1-CD1 4.44Å
348K85.1Confident82Confident75 Ų7562 Ų6233%0.32633%0.328SS..Hα-helixtrans-65.7-50.2173.6-173.6175.9-178.7174.40111.6E344 S345 E346 F350 F351 M352 V357 L360E344-K348 VanDerWaalsContact O-CB 3.27Å; E344-K348 WeakPolarHBondContact O-CB 3.3Å; E344-K348 PolarHBondContact O-N 2.65Å; S345-K348 PolarHBondContact O-N 3.27Å; E346-K348 VanDerWaalsContact C-N 3.27Å; E346-K348 PolarHBondContact O-N 3.39Å; K348-F350 VanDerWaalsContact C-N 3.3Å; K348-F350 PolarHBondContact O-N 2.95Å; K348-F351 PolarHBondContact O-N 3.08Å; K348-M352 HydrophobicContact CD-SD 4.22Å; K348-M352 HydrophobicContact CG-CG 4.18Å; K348-M352 HydrophobicContact CG-SD 3.87Å; K348-M352 WeakPolarHBondContact O-CB 3.44Å; K348-M352 VanDerWaalsContact O-CG 3.27Å; K348-M352 WeakPolarHBondContact O-CG 3.42Å; K348-M352 PolarHBondContact O-N 3.07Å; K348-V357 HydrophobicContact CD-CG1 4.44Å; K348-V357 WeakPolarHBondContact CE-O 3.43Å; K348-V357 HydrophobicContact CG-CB 4Å; K348-V357 HydrophobicContact CG-CG1 3.96Å; K348-V357 PolarHBondContact NZ-O 2.93Å; K348-L360 HydrophobicContact CB-CD1 3.95Å
349E86.6Confident82.1Confident141 Ų14164.9 Ų64.966%0.65934%0.341SS*.Hα-helixtrans-59.1-41.3178.5-76.1178-157.200111.9S345 E346 M352 S353S345-E349 WeakPolarHBondContact O-CG 3.29Å; S345-E349 PolarHBondContact O-N 3.3Å; E346-E349 PolarHBondContact O-N 2.91Å; E349-M352 PolarHBondContact O-N 2.88Å; E349-S353 PolarHBondContact O-N 2.84Å
350F84.8Confident82.6Confident56 Ų5664.1 Ų64.125%0.24634%0.335CS..Hα-helixtrans-59.7-49.4174.9-176.9-93.9000111.8E346 K348 S353 F354 I394 F396E346-F350 WeakPolarHBondContact O-CB 3.32Å; E346-F350 PolarHBondContact O-N 2.69Å; K348-F350 VanDerWaalsContact C-N 3.3Å; K348-F350 PolarHBondContact O-N 2.95Å; F350-S353 WeakPolarHBondContact O-CB 3.3Å; F350-S353 PolarHBondContact O-N 2.99Å; F350-S353 PolarHBondContact O-OG 2.82Å; F350-F354 HydrophobicContact CD1-CE2 4.45Å; F350-F354 AromaticContact CE1-CE2 3.93Å; F350-F354 HydrophobicContact CE1-CE2 3.93Å; F350-F354 HydrophobicContact CZ-CE2 4.19Å; F350-I394 HydrophobicContact CE1-CG2 3.65Å; F350-I394 HydrophobicContact CZ-CG2 3.74Å; F350-F396 HydrophobicContact CB-CD2 4.31Å; F350-F396 HydrophobicContact CB-CE2 4.05Å; F350-F396 HydrophobicContact CD1-CD2 4.28Å; F350-F396 HydrophobicContact CD2-CD2 4.15Å; F350-F396 AromaticContact CG-CD2 3.97Å; F350-F396 HydrophobicContact CG-CD2 3.97Å; F350-F396 HydrophobicContact CG-CE2 4.22Å
351F85.6Confident83.4Confident0 Ų065.7 Ų65.70%034%0.337CS..Hα-helixtrans-72.7-26.4178.7-76-59000113.8L333 V335 L347 K348 S353 F354 G355 V357 V377 F379 I388 L402L333-F351 HydrophobicContact CD2-CD1 4.07Å; L333-F351 HydrophobicContact CD2-CE1 3.6Å; L333-F351 HydrophobicContact CD2-CZ 3.93Å; V335-F351 HydrophobicContact CG1-CE2 4.22Å; V335-F351 HydrophobicContact CG1-CZ 4.08Å; V335-F351 HydrophobicContact CG2-CE2 3.81Å; V335-F351 HydrophobicContact CG2-CZ 3.65Å; L347-F351 HydrophobicContact CD1-CD2 4.11Å; L347-F351 HydrophobicContact CD1-CE2 3.62Å; L347-F351 HydrophobicContact CG-CD2 4.05Å; L347-F351 HydrophobicContact CG-CE2 3.92Å; L347-F351 WeakPolarHBondContact O-CD2 3.32Å; L347-F351 PolarHBondContact O-N 2.93Å; L347-F351 VanDerWaalsContact O-N 3.13Å; K348-F351 PolarHBondContact O-N 3.08Å; F351-S353 PolarHBondContact O-N 3.17Å; F351-S353 VanDerWaalsContact O-N 3.17Å; F351-F354 HydrophobicContact CD1-CD2 4.47Å; F351-F354 PolarHBondContact O-N 2.85Å; F351-G355 PolarHBondContact O-N 3.37Å; F351-V357 HydrophobicContact CB-CG2 3.66Å; F351-V377 HydrophobicContact CB-CG1 4.19Å; F351-V377 HydrophobicContact CD2-CG1 4.3Å; F351-V377 HydrophobicContact CD2-CG2 3.66Å; F351-V377 HydrophobicContact CE2-CG2 3.8Å; F351-V377 HydrophobicContact CG-CG1 4.32Å; F351-V377 HydrophobicContact CG-CG2 4.36Å; F351-F379 HydrophobicContact CB-CE1 4.3Å; F351-F379 HydrophobicContact CB-CZ 3.98Å; F351-F379 HydrophobicContact CD1-CZ 4.24Å; F351-F379 HydrophobicContact CG-CZ 4.34Å; F351-I388 HydrophobicContact CD1-CD1 3.7Å; F351-I388 HydrophobicContact CE1-CD1 4.06Å; F351-I388 HydrophobicContact CE1-CG2 4.42Å; F351-L402 HydrophobicContact CZ-CD1 4.05Å
352M85.1Confident83.9Confident95 Ų9561.1 Ų61.147%0.46831%0.312SS..Hα-helixtrans-61.7-18.5171.7-80.1179.966.100113.7K348 E349 F354 G355 V357K348-M352 HydrophobicContact CD-SD 4.22Å; K348-M352 HydrophobicContact CG-CG 4.18Å; K348-M352 HydrophobicContact CG-SD 3.87Å; K348-M352 WeakPolarHBondContact O-CB 3.44Å; K348-M352 VanDerWaalsContact O-CG 3.27Å; K348-M352 WeakPolarHBondContact O-CG 3.42Å; K348-M352 PolarHBondContact O-N 3.07Å; E349-M352 PolarHBondContact O-N 2.88Å; M352-F354 VanDerWaalsContact C-N 3.27Å; M352-F354 PolarHBondContact O-N 2.89Å; M352-G355 VanDerWaalsContact CA-O 3.3Å; M352-G355 WeakPolarHBondContact CA-O 3.42Å; M352-V357 HydrophobicContact CG-CB 4.01Å; M352-V357 HydrophobicContact CG-CG2 3.92Å
353S84.8Confident83.9Confident91 Ų9162.6 Ų62.664%0.63632%0.32SS*.THydrogen-bonded Turntrans-71.6-18.2171.473.10000114.2E349 F350 F351E349-S353 PolarHBondContact O-N 2.84Å; F350-S353 WeakPolarHBondContact O-CB 3.3Å; F350-S353 PolarHBondContact O-N 2.99Å; F350-S353 PolarHBondContact O-OG 2.82Å; F351-S353 PolarHBondContact O-N 3.17Å; F351-S353 VanDerWaalsContact O-N 3.17Å
354F81.3Confident83.5Confident52 Ų5262.6 Ų62.623%0.22832%0.323CS..THydrogen-bonded Turntrans-101.1-29.2179.3-64.6-90.9000113.2F350 F351 M352 I388 A391F350-F354 HydrophobicContact CD1-CE2 4.45Å; F350-F354 AromaticContact CE1-CE2 3.93Å; F350-F354 HydrophobicContact CE1-CE2 3.93Å; F350-F354 HydrophobicContact CZ-CE2 4.19Å; F351-F354 HydrophobicContact CD1-CD2 4.47Å; F351-F354 PolarHBondContact O-N 2.85Å; M352-F354 VanDerWaalsContact C-N 3.27Å; M352-F354 PolarHBondContact O-N 2.89Å; F354-I388 HydrophobicContact CB-CD1 3.73Å; F354-I388 HydrophobicContact CB-CG1 3.75Å; F354-I388 HydrophobicContact CD1-CD1 4.46Å; F354-I388 HydrophobicContact CD1-CG1 3.58Å; F354-I388 HydrophobicContact CD2-CD1 4.27Å; F354-I388 HydrophobicContact CD2-CG1 4.09Å; F354-I388 HydrophobicContact CE1-CG1 4.17Å; F354-I388 HydrophobicContact CG-CD1 3.92Å; F354-I388 HydrophobicContact CG-CG1 3.54Å; F354-A391 HydrophobicContact CE1-CB 4.39Å
355G84.6Confident82.2Confident18 Ų1864.3 Ų64.319%0.18633%0.329CS..SBendtrans175.2170.5178.900000112.2F351 M352 V357F351-G355 PolarHBondContact O-N 3.37Å; M352-G355 VanDerWaalsContact CA-O 3.3Å; M352-G355 WeakPolarHBondContact CA-O 3.42Å; G355-V357 PolarHBondContact O-N 2.99Å
356N86.6Confident80.7Confident82 Ų8262.3 Ų62.344%0.43932%0.322SS..  trans-75.8116.2-170.1171.140.8000112.4V358 F379 D380N356-V358 PolarHBondContact O-N 3.08Å; N356-F379 WeakPolarHBondContact O-CA 3.27Å; N356-D380 VanDerWaalsContact CB-OD2 3.31Å; N356-D380 WeakPolarHBondContact CB-OD2 3.45Å; N356-D380 PolarHBondContact ND2-OD2 3.19Å; N356-D380 PolarHBondContact O-N 2.85Å
357V88.8Confident79Confident1 Ų166.8 Ų66.81%0.00635%0.354CS..EExtended strand (participates in β ladder)trans-85.6107.9-177.31790000110.8K348 F351 M352 G355 L360 V377 F379K348-V357 HydrophobicContact CD-CG1 4.44Å; K348-V357 WeakPolarHBondContact CE-O 3.43Å; K348-V357 HydrophobicContact CG-CB 4Å; K348-V357 HydrophobicContact CG-CG1 3.96Å; K348-V357 PolarHBondContact NZ-O 2.93Å; F351-V357 HydrophobicContact CB-CG2 3.66Å; M352-V357 HydrophobicContact CG-CB 4.01Å; M352-V357 HydrophobicContact CG-CG2 3.92Å; G355-V357 PolarHBondContact O-N 2.99Å; V357-L360 HydrophobicContact CG1-CB 4.32Å; V357-V377 HydrophobicContact CB-CG1 4.37Å; V357-V377 HydrophobicContact CG1-CG1 3.6Å; V357-V377 HydrophobicContact CG2-CG1 3.86Å; V357-F379 HydrophobicContact CG2-CD1 4.08Å; V357-F379 HydrophobicContact CG2-CE1 3.61Å; V357-F379 HydrophobicContact CG2-CZ 4.21Å
358V85.4Confident77.4Confident38 Ų3869.9 Ų69.923%0.2339%0.385CS..EExtended strand (participates in β ladder)trans-83.9-41.1-178-176.10000112.1R322 Y327 N356 V378 D380R322-V358 PolarHBondContact NH2-O 2.99Å; Y327-V358 HydrophobicContact CE1-CG1 4.45Å; Y327-V358 HydrophobicContact CE2-CG1 4.29Å; Y327-V358 WeakPolarHBondContact OH-CG1 3.47Å; N356-V358 PolarHBondContact O-N 3.08Å; V358-V378 PolarHBondContact N-O 3.17Å; V358-D380 HydrophobicContact CG2-CB 3.8Å
359E83.3Confident76Confident65 Ų6568.9 Ų68.930%0.30440%0.397SS..EExtended strand (participates in β ladder)trans-136139.6174.8-159.4166.2128.300110.4R322 V378R322-E359 IonicContact CZ-OE2 3.89Å; R322-E359 IonicContact NE-OE2 2.61Å; R322-E359 PolarHBondContact NE-OE2 3.23Å; R322-E359 VanDerWaalsContact NH2-CB 3.3Å; R322-E359 IonicContact NH2-OE2 2.61Å; R322-E359 PolarHBondContact NH2-OE2 3.48Å; E359-V378 HydrophobicContact CB-CB 3.86Å; E359-V378 HydrophobicContact CB-CG2 3.83Å; E359-V378 PolarHBondContact N-O 3.33Å; E359-V378 PolarHBondContact O-N 2.89Å
360L85.6Confident74.4Confident16 Ų1671.5 Ų71.58%0.08441%0.406CS..EExtended strand (participates in β ladder)trans-126.5143.5168-160.4150.4000107.9E344 L347 K348 V357 I362 V377E344-L360 HydrophobicContact CG-CB 4.39Å; E344-L360 HydrophobicContact CG-CD2 3.89Å; L347-L360 HydrophobicContact CB-CD1 4.06Å; L347-L360 HydrophobicContact CD2-CD1 4.18Å; L347-L360 HydrophobicContact CD2-CD2 4.04Å; L347-L360 HydrophobicContact CG-CD1 4.02Å; K348-L360 HydrophobicContact CB-CD1 3.95Å; V357-L360 HydrophobicContact CG1-CB 4.32Å; L360-I362 HydrophobicContact CD2-CD1 4.14Å; L360-I362 HydrophobicContact CD2-CG1 3.52Å; L360-V377 HydrophobicContact CD1-CG1 4.49Å; L360-V377 HydrophobicContact CD1-CG2 4.14Å; L360-V377 HydrophobicContact CG-CG2 4.2Å
361R83.9Confident72.9Confident142 Ų14273.8 Ų73.854%0.53642%0.42SS..EExtended strand (participates in β ladder)trans-146.8105.2-178.8-177.6-174.8177.5118.211.7110.7N363 G375 F376R361-N363 PolarHBondContact NE-OD1 3.14Å; R361-G375 CarbonylContact O-C 3.57Å; R361-G375 WeakPolarHBondContact O-CA 3.38Å; R361-F376 PolarHBondContact N-O 3.37Å; R361-F376 PolarHBondContact O-N 2.82Å
362I82.8Confident71.8Confident36 Ų3677.2 Ų77.219%0.18544%0.442CS..EExtended strand (participates in β ladder)trans-86.5132.9173.1-49.7-172.3000109.5L338 I342 E344 L347 L360 T364L338-I362 HydrophobicContact CD1-CG2 4.13Å; I342-I362 HydrophobicContact CG1-CD1 4.1Å; I342-I362 HydrophobicContact CG2-CD1 3.97Å; I342-I362 HydrophobicContact CG2-CG2 4.28Å; E344-I362 HydrophobicContact CB-CD1 4.3Å; L347-I362 HydrophobicContact CD2-CD1 3.93Å; L347-I362 HydrophobicContact CD2-CG1 4.25Å; L360-I362 HydrophobicContact CD2-CD1 4.14Å; L360-I362 HydrophobicContact CD2-CG1 3.52Å; I362-T364 HydrophobicContact CG2-CG2 3.91Å
363N76.4Confident71.3Confident51 Ų5173 Ų7327%0.27342%0.422SS..EExtended strand (participates in β ladder)trans-121.379.8-175.8-113.5109.7000109.8R361 K365 F374R361-N363 PolarHBondContact NE-OD1 3.14Å; N363-K365 VanDerWaalsContact C-N 3.29Å; N363-K365 PolarHBondContact O-N 3.19Å; N363-F374 CarbonylContact C-O 3.54Å; N363-F374 WeakPolarHBondContact CA-O 3.48Å; N363-F374 HydrophobicContact CB-CD2 3.98Å; N363-F374 HydrophobicContact CB-CE2 3.56Å; N363-F374 HydrophobicContact CB-CZ 3.91Å; N363-F374 PolarHBondContact N-O 3.25Å
364T70.9Confident71.2Confident94 Ų9471.2 Ų71.258%0.57740%0.403SS*.  trans-71.371.5-177.151.90000112.9I362 G366 N373I362-T364 HydrophobicContact CG2-CG2 3.91Å; T364-G366 VanDerWaalsContact C-N 3.34Å; T364-G366 PolarHBondContact O-N 3.35Å; T364-N373 WeakPolarHBondContact CA-OD1 3.4Å; T364-N373 WeakPolarHBondContact CG2-OD1 3.29Å
365K55.8Low71.4Confident143 Ų14368.8 Ų68.862%0.62239%0.392SS*.  trans-81.965.4-167.5-156.4-171.1-176-169.10113.7N363 L371 F374N363-K365 VanDerWaalsContact C-N 3.29Å; N363-K365 PolarHBondContact O-N 3.19Å; K365-L371 WeakPolarHBondContact O-CD1 3.38Å; K365-F374 HydrophobicContact CB-CE1 3.76Å; K365-F374 HydrophobicContact CB-CZ 4.32Å; K365-F374 HydrophobicContact CD-CE1 4.14Å; K365-F374 HydrophobicContact CD-CZ 4.3Å
366G50.3Low71.6Confident40 Ų4070.4 Ų70.441%0.41239%0.394SS..  trans-169.996.9176.200000117.2T364 G368T364-G366 VanDerWaalsContact C-N 3.34Å; T364-G366 PolarHBondContact O-N 3.35Å; G366-G368 PolarHBondContact O-N 3.35Å
367V47.7Very low71.7Confident166 Ų16666.5 Ų66.5100%1.00637%0.374SS*.THydrogen-bonded Turntrans-64.8114.7149.8177.70000106.9
368G51.3Low71.7Confident65 Ų6567 Ų6767%0.6738%0.376SS*.THydrogen-bonded Turntrans104.411.7178.300000117G366 K370G366-G368 PolarHBondContact O-N 3.35Å; G368-K370 VanDerWaalsContact C-N 3.31Å; G368-K370 PolarHBondContact O-N 3.46Å
369G53.8Low71.9Confident55 Ų5565.2 Ų65.257%0.56737%0.365SS*.SBendtrans63.419.5157.700000118.2
370K53.6Low72.1Confident196 Ų19664.8 Ų64.885%0.85237%0.365SS*.  trans-109.14.9-177.3-75-174177.9-175.30115.4G368G368-K370 VanDerWaalsContact C-N 3.31Å; G368-K370 PolarHBondContact O-N 3.46Å
371L54.6Low72.1Confident103 Ų10368.4 Ų68.454%0.53939%0.385SS..SBendtrans-124.6131.4178.6-68.8173.7000109.1K365K365-L371 WeakPolarHBondContact O-CD1 3.38Å
372P61.3Low72.1Confident72 Ų7263.7 Ų63.747%0.46837%0.373SS..  trans-64.9144.5179.327.4-34.3000110.5
373N74.8Confident72.2Confident8 Ų866.9 Ų66.94%0.04339%0.388CS..EExtended strand (participates in β ladder)trans-64.3144173.6-75.7-18000109.8N337 L338 P339 H340 T364N337-N373 PolarHBondContact N-O 3.08Å; L338-N373 HydrophobicContact CB-CB 3.73Å; L338-N373 PolarHBondContact N-O 2.94Å; P339-N373 PolarHBondContact O-ND2 2.88Å; H340-N373 WeakPolarHBondContact CA-ND2 3.3Å; T364-N373 WeakPolarHBondContact CA-OD1 3.4Å; T364-N373 WeakPolarHBondContact CG2-OD1 3.29Å
374F82.9Confident72.6Confident53 Ų5364.7 Ų64.723%0.23238%0.376CS..EExtended strand (participates in β ladder)trans-133.9152.9170.266-91.5000109.9F334 V335 N363 K365 F376F334-F374 HydrophobicContact CE2-CB 3.73Å; F334-F374 AromaticContact CE2-CD2 3.76Å; F334-F374 HydrophobicContact CE2-CD2 3.76Å; F334-F374 AromaticContact CE2-CG 3.96Å; F334-F374 HydrophobicContact CE2-CG 3.96Å; F334-F374 HydrophobicContact CZ-CB 3.86Å; F334-F374 HydrophobicContact CZ-CG 4.38Å; V335-F374 CarbonylContact O-C 3.58Å; V335-F374 VanDerWaalsContact O-CA 3.27Å; V335-F374 WeakPolarHBondContact O-CA 2.96Å; N363-F374 CarbonylContact C-O 3.54Å; N363-F374 WeakPolarHBondContact CA-O 3.48Å; N363-F374 HydrophobicContact CB-CD2 3.98Å; N363-F374 HydrophobicContact CB-CE2 3.56Å; N363-F374 HydrophobicContact CB-CZ 3.91Å; N363-F374 PolarHBondContact N-O 3.25Å; K365-F374 HydrophobicContact CB-CE1 3.76Å; K365-F374 HydrophobicContact CB-CZ 4.32Å; K365-F374 HydrophobicContact CD-CE1 4.14Å; K365-F374 HydrophobicContact CD-CZ 4.3Å; F374-F376 HydrophobicContact CD2-CE2 4.2Å; F374-F376 HydrophobicContact CE2-CE2 4.01Å; F374-F376 HydrophobicContact CE2-CZ 4.41Å
375G85.9Confident73.3Confident1 Ų160.4 Ų60.41%0.0135%0.35CS..EExtended strand (participates in β ladder)trans-138.2171176.400000112.2V335 R361V335-G375 PolarHBondContact N-O 3.29Å; V335-G375 PolarHBondContact O-N 2.69Å; R361-G375 CarbonylContact O-C 3.57Å; R361-G375 WeakPolarHBondContact O-CA 3.38Å
376F88.8Confident74.6Confident52 Ų5259.3 Ų59.323%0.22835%0.347CS..EExtended strand (participates in β ladder)trans-119.6137.6167.4-59.6-83.2000108.7L333 F334 R361 F374 K407L333-F376 VanDerWaalsContact O-CA 3.3Å; L333-F376 WeakPolarHBondContact O-CA 3.32Å; F334-F376 HydrophobicContact CB-CD1 4.47Å; F334-F376 HydrophobicContact CB-CE1 4.34Å; F334-F376 HydrophobicContact CD2-CD1 4.27Å; F334-F376 AromaticContact CD2-CE1 3.68Å; F334-F376 HydrophobicContact CD2-CE1 3.68Å; F334-F376 HydrophobicContact CD2-CZ 4.04Å; F334-F376 HydrophobicContact CG-CE1 4.5Å; R361-F376 PolarHBondContact N-O 3.37Å; R361-F376 PolarHBondContact O-N 2.82Å; F374-F376 HydrophobicContact CD2-CE2 4.2Å; F374-F376 HydrophobicContact CE2-CE2 4.01Å; F374-F376 HydrophobicContact CE2-CZ 4.41Å; F376-K407 HydrophobicContact CD1-CD 4.32Å; F376-K407 HydrophobicContact CD1-CG 4.13Å; F376-K407 HydrophobicContact CE1-CD 4.47Å; F376-K407 HydrophobicContact CE1-CG 4Å
377V88.3Confident76.2Confident0 Ų064 Ų640%035%0.352CS..EExtended strand (participates in β ladder)trans-118.9133.6173-169.90000106.9Q332 L333 V335 F351 V357 L360 F379Q332-V377 WeakPolarHBondContact CA-O 3.37Å; L333-V377 HydrophobicContact CB-CB 4.17Å; L333-V377 HydrophobicContact CD2-CB 4.48Å; L333-V377 PolarHBondContact N-O 3.01Å; L333-V377 PolarHBondContact O-N 2.93Å; V335-V377 HydrophobicContact CG2-CG2 3.81Å; F351-V377 HydrophobicContact CB-CG1 4.19Å; F351-V377 HydrophobicContact CD2-CG1 4.3Å; F351-V377 HydrophobicContact CD2-CG2 3.66Å; F351-V377 HydrophobicContact CE2-CG2 3.8Å; F351-V377 HydrophobicContact CG-CG1 4.32Å; F351-V377 HydrophobicContact CG-CG2 4.36Å; V357-V377 HydrophobicContact CB-CG1 4.37Å; V357-V377 HydrophobicContact CG1-CG1 3.6Å; V357-V377 HydrophobicContact CG2-CG1 3.86Å; L360-V377 HydrophobicContact CD1-CG1 4.49Å; L360-V377 HydrophobicContact CD1-CG2 4.14Å; L360-V377 HydrophobicContact CG-CG2 4.2Å; V377-F379 HydrophobicContact CB-CE2 4.26Å; V377-F379 HydrophobicContact CG1-CD2 4.48Å; V377-F379 HydrophobicContact CG1-CE2 3.86Å; V377-F379 HydrophobicContact CG1-CZ 3.9Å
378V89.2Confident78Confident11 Ų1156.1 Ų56.17%0.06730%0.304CS..EExtended strand (participates in β ladder)trans-119.8118.9-177.8-167.40000108Y327 Q332 V358 E359Y327-V378 HydrophobicContact CD1-CG1 4.23Å; Y327-V378 HydrophobicContact CD2-CG1 3.57Å; Y327-V378 HydrophobicContact CE2-CG1 4.34Å; Y327-V378 HydrophobicContact CG-CG1 3.52Å; Q332-V378 HydrophobicContact CG-CB 4.39Å; Q332-V378 HydrophobicContact CG-CG1 3.88Å; Q332-V378 HydrophobicContact CG-CG2 4.01Å; V358-V378 PolarHBondContact N-O 3.17Å; E359-V378 HydrophobicContact CB-CB 3.86Å; E359-V378 HydrophobicContact CB-CG2 3.83Å; E359-V378 PolarHBondContact N-O 3.33Å; E359-V378 PolarHBondContact O-N 2.89Å
379F89.4Confident79.4Confident0 Ų055.1 Ų55.10%028%0.283CS..EExtended strand (participates in β ladder)trans-92166175.9-63.9-87.9000110.2H331 L333 F351 N356 V357 V377 D381 P384 V385 I388H331-F379 PolarHBondContact O-N 3.34Å; L333-F379 HydrophobicContact CB-CE2 4.08Å; L333-F379 HydrophobicContact CD2-CE2 4.09Å; F351-F379 HydrophobicContact CB-CE1 4.3Å; F351-F379 HydrophobicContact CB-CZ 3.98Å; F351-F379 HydrophobicContact CD1-CZ 4.24Å; F351-F379 HydrophobicContact CG-CZ 4.34Å; N356-F379 WeakPolarHBondContact O-CA 3.27Å; V357-F379 HydrophobicContact CG2-CD1 4.08Å; V357-F379 HydrophobicContact CG2-CE1 3.61Å; V357-F379 HydrophobicContact CG2-CZ 4.21Å; V377-F379 HydrophobicContact CB-CE2 4.26Å; V377-F379 HydrophobicContact CG1-CD2 4.48Å; V377-F379 HydrophobicContact CG1-CE2 3.86Å; V377-F379 HydrophobicContact CG1-CZ 3.9Å; F379-D381 WeakPolarHBondContact CB-O 3.37Å; F379-P384 HydrophobicContact CB-CB 4.39Å; F379-P384 HydrophobicContact CB-CG 4.26Å; F379-P384 HydrophobicContact CD1-CB 3.54Å; F379-P384 HydrophobicContact CD1-CG 3.95Å; F379-P384 HydrophobicContact CD2-CB 4.26Å; F379-P384 HydrophobicContact CE1-CB 3.76Å; F379-P384 HydrophobicContact CE2-CB 4.46Å; F379-P384 HydrophobicContact CG-CB 3.8Å; F379-P384 HydrophobicContact CG-CG 4.17Å; F379-P384 HydrophobicContact CZ-CB 4.22Å; F379-V385 HydrophobicContact CD2-CG2 3.65Å; F379-V385 HydrophobicContact CE2-CG2 4.12Å; F379-I388 HydrophobicContact CE1-CD1 4.38Å; F379-I388 HydrophobicContact CE2-CD1 4Å; F379-I388 HydrophobicContact CZ-CD1 3.53Å
380D87.9Confident80.7Confident56 Ų5658.6 Ų58.630%0.29929%0.293SS..SBendtrans-70.3-43165.743.13.2000111.5H331 N356 V358H331-D380 PolarHBondContact CE1-O 3.23Å; H331-D380 PolarHBondContact ND1-O 3.1Å; N356-D380 VanDerWaalsContact CB-OD2 3.31Å; N356-D380 WeakPolarHBondContact CB-OD2 3.45Å; N356-D380 PolarHBondContact ND2-OD2 3.19Å; N356-D380 PolarHBondContact O-N 2.85Å; V358-D380 HydrophobicContact CG2-CB 3.8Å
381D84.6Confident81.8Confident93 Ų9351.5 Ų51.550%0.49727%0.272SS..SBendtrans-108.8167.9-178.5-63.4-37.8000114.2F379 P384F379-D381 WeakPolarHBondContact CB-O 3.37Å; D381-P384 WeakPolarHBondContact O-CD 3.45Å
382S84.1Confident82.9Confident42 Ų4251.6 Ų51.629%0.29427%0.268SS..SBendtrans-83.5-30.2174.457.40000113.9P384 V385 Q386S382-P384 VanDerWaalsContact C-CD 3.41Å; S382-V385 WeakPolarHBondContact O-CB 3.49Å; S382-V385 PolarHBondContact O-N 2.76Å; S382-V385 VanDerWaalsContact O-N 3.12Å; S382-Q386 PolarHBondContact O-N 2.82Å
383E84.8Confident83.3Confident103 Ų10352.7 Ų52.748%0.48128%0.275SS..Hα-helixtrans-52.8-43.2-179.3-75.1-164.8-141.400114.4V385 Q386 R387E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 2.72Å; E383-Q386 PolarHBondContact O-N 2.9Å; E383-R387 WeakPolarHBondContact O-CB 3.48Å; E383-R387 VanDerWaalsContact O-CG 3.23Å; E383-R387 WeakPolarHBondContact O-CG 3.33Å; E383-R387 PolarHBondContact O-N 2.87Å; E383-R387 IonicContact OE2-CZ 3.59Å; E383-R387 IonicContact OE2-NE 3.55Å; E383-R387 PolarHBondContact OE2-NE 2.96Å; E383-R387 IonicContact OE2-NH2 2.68Å; E383-R387 PolarHBondContact OE2-NH2 2.89Å
384P85.4Confident83.5Confident6 Ų652.7 Ų52.74%0.03928%0.275CS..Hα-helixtrans-59.8-40.9179.6-23.836.2000111.6F379 D381 S382 R387 I388F379-P384 HydrophobicContact CB-CB 4.39Å; F379-P384 HydrophobicContact CB-CG 4.26Å; F379-P384 HydrophobicContact CD1-CB 3.54Å; F379-P384 HydrophobicContact CD1-CG 3.95Å; F379-P384 HydrophobicContact CD2-CB 4.26Å; F379-P384 HydrophobicContact CE1-CB 3.76Å; F379-P384 HydrophobicContact CE2-CB 4.46Å; F379-P384 HydrophobicContact CG-CB 3.8Å; F379-P384 HydrophobicContact CG-CG 4.17Å; F379-P384 HydrophobicContact CZ-CB 4.22Å; D381-P384 WeakPolarHBondContact O-CD 3.45Å; S382-P384 VanDerWaalsContact C-CD 3.41Å; P384-R387 PolarHBondContact O-N 3.42Å; P384-I388 WeakPolarHBondContact O-CB 3.42Å; P384-I388 VanDerWaalsContact O-CD1 3.28Å; P384-I388 WeakPolarHBondContact O-CD1 3.49Å; P384-I388 WeakPolarHBondContact O-CG1 3.22Å; P384-I388 PolarHBondContact O-N 2.78Å
385V85.1Confident83.2Confident3 Ų353.4 Ų53.42%0.01828%0.28CS..Hα-helixtrans-60.7-47.9176.5175.90000110.2L333 F379 S382 E383 I388 L389 E406L333-V385 HydrophobicContact CB-CG2 4.44Å; L333-V385 HydrophobicContact CD1-CB 4.39Å; L333-V385 HydrophobicContact CD1-CG1 3.88Å; L333-V385 HydrophobicContact CD1-CG2 4.37Å; F379-V385 HydrophobicContact CD2-CG2 3.65Å; F379-V385 HydrophobicContact CE2-CG2 4.12Å; S382-V385 WeakPolarHBondContact O-CB 3.49Å; S382-V385 PolarHBondContact O-N 2.76Å; S382-V385 VanDerWaalsContact O-N 3.12Å; E383-V385 VanDerWaalsContact C-N 3.28Å; E383-V385 PolarHBondContact O-N 2.72Å; V385-I388 PolarHBondContact O-N 2.58Å; V385-L389 HydrophobicContact CG1-CD1 3.81Å; V385-L389 HydrophobicContact CG1-CG 4.43Å; V385-L389 WeakPolarHBondContact O-CB 3.5Å; V385-L389 WeakPolarHBondContact O-CG 3.18Å; V385-L389 PolarHBondContact O-N 2.72Å; V385-E406 HydrophobicContact CG1-CG 4.36Å
386Q83.3Confident82.6Confident121 Ų12153.7 Ų53.757%0.56528%0.28SS*.Hα-helixtrans-62.4-48.3177.9-65-179.5-6.400112.5S382 E383 I388 L389 V390S382-Q386 PolarHBondContact O-N 2.82Å; E383-Q386 PolarHBondContact O-N 2.9Å; Q386-I388 VanDerWaalsContact C-N 3.31Å; Q386-I388 PolarHBondContact O-N 3.02Å; Q386-L389 PolarHBondContact O-N 2.96Å; Q386-V390 WeakPolarHBondContact O-CG2 3.37Å; Q386-V390 PolarHBondContact O-N 3.5Å
387R83.6Confident81.7Confident138 Ų13857.5 Ų57.552%0.52129%0.293SS..Hα-helixtrans-56.9-44.1177.6-67.4166.5-174.6-164.31.7111.6E383 P384 V390 A391E383-R387 WeakPolarHBondContact O-CB 3.48Å; E383-R387 VanDerWaalsContact O-CG 3.23Å; E383-R387 WeakPolarHBondContact O-CG 3.33Å; E383-R387 PolarHBondContact O-N 2.87Å; E383-R387 IonicContact OE2-CZ 3.59Å; E383-R387 IonicContact OE2-NE 3.55Å; E383-R387 PolarHBondContact OE2-NE 2.96Å; E383-R387 IonicContact OE2-NH2 2.68Å; E383-R387 PolarHBondContact OE2-NH2 2.89Å; P384-R387 PolarHBondContact O-N 3.42Å; R387-V390 PolarHBondContact O-N 3.32Å; R387-A391 VanDerWaalsContact O-CB 3.27Å; R387-A391 WeakPolarHBondContact O-CB 3.28Å; R387-A391 PolarHBondContact O-N 2.9Å
388I84.9Confident80.7Confident0 Ų060.2 Ų60.20%032%0.321CS..Hα-helixtrans-64.5-37.9176-74.5168.9000111.6L333 F351 F354 F379 P384 V385 Q386 A391 I394 V404L333-I388 HydrophobicContact CD1-CG2 3.81Å; L333-I388 HydrophobicContact CD2-CD1 4Å; L333-I388 HydrophobicContact CD2-CG2 3.82Å; L333-I388 HydrophobicContact CG-CG2 4.42Å; F351-I388 HydrophobicContact CD1-CD1 3.7Å; F351-I388 HydrophobicContact CE1-CD1 4.06Å; F351-I388 HydrophobicContact CE1-CG2 4.42Å; F354-I388 HydrophobicContact CB-CD1 3.73Å; F354-I388 HydrophobicContact CB-CG1 3.75Å; F354-I388 HydrophobicContact CD1-CD1 4.46Å; F354-I388 HydrophobicContact CD1-CG1 3.58Å; F354-I388 HydrophobicContact CD2-CD1 4.27Å; F354-I388 HydrophobicContact CD2-CG1 4.09Å; F354-I388 HydrophobicContact CE1-CG1 4.17Å; F354-I388 HydrophobicContact CG-CD1 3.92Å; F354-I388 HydrophobicContact CG-CG1 3.54Å; F379-I388 HydrophobicContact CE1-CD1 4.38Å; F379-I388 HydrophobicContact CE2-CD1 4Å; F379-I388 HydrophobicContact CZ-CD1 3.53Å; P384-I388 WeakPolarHBondContact O-CB 3.42Å; P384-I388 VanDerWaalsContact O-CD1 3.28Å; P384-I388 WeakPolarHBondContact O-CD1 3.49Å; P384-I388 WeakPolarHBondContact O-CG1 3.22Å; P384-I388 PolarHBondContact O-N 2.78Å; V385-I388 PolarHBondContact O-N 2.58Å; Q386-I388 VanDerWaalsContact C-N 3.31Å; Q386-I388 PolarHBondContact O-N 3.02Å; I388-A391 PolarHBondContact O-N 2.89Å; I388-I394 HydrophobicContact CB-CD1 4.21Å; I388-I394 HydrophobicContact CG2-CD1 3.5Å; I388-I394 VanDerWaalsContact CG2-CD1 3.5Å; I388-I394 WeakPolarHBondContact O-CD1 3.16Å; I388-V404 HydrophobicContact CG2-CB 4.46Å; I388-V404 HydrophobicContact CG2-CG1 3.57Å
389L81.7Confident79.6Confident44 Ų4467.8 Ų67.823%0.2336%0.356CS..Hα-helixtrans-71-30.4177.8-70.6167.7000112.8V385 Q386 K392 E406V385-L389 HydrophobicContact CG1-CD1 3.81Å; V385-L389 HydrophobicContact CG1-CG 4.43Å; V385-L389 WeakPolarHBondContact O-CB 3.5Å; V385-L389 WeakPolarHBondContact O-CG 3.18Å; V385-L389 PolarHBondContact O-N 2.72Å; Q386-L389 PolarHBondContact O-N 2.96Å; L389-K392 VanDerWaalsContact CD2-CE 3.47Å; L389-K392 WeakPolarHBondContact O-CD 3.36Å; L389-K392 VanDerWaalsContact O-CE 3.22Å; L389-K392 WeakPolarHBondContact O-CE 3.34Å; L389-K392 WeakPolarHBondContact O-CG 3.46Å; L389-E406 HydrophobicContact CD1-CB 4Å
390V81.3Confident78.9Confident128 Ų12869.7 Ų69.778%0.77637%0.367SS*.Hα-helixtrans-76.3-38171.6175.10000111.4Q386 R387 K392Q386-V390 WeakPolarHBondContact O-CG2 3.37Å; Q386-V390 PolarHBondContact O-N 3.5Å; R387-V390 PolarHBondContact O-N 3.32Å; V390-K392 PolarHBondContact O-N 2.78Å
391A75.9Confident78.4Confident48 Ų4875.2 Ų75.240%0.39738%0.384SS..SBendtrans-72.922.3-178.900000115.3F354 R387 I388 I394F354-A391 HydrophobicContact CE1-CB 4.39Å; R387-A391 VanDerWaalsContact O-CB 3.27Å; R387-A391 WeakPolarHBondContact O-CB 3.28Å; R387-A391 PolarHBondContact O-N 2.9Å; I388-A391 PolarHBondContact O-N 2.89Å; A391-I394 WeakPolarHBondContact O-CG1 3.26Å
392K77.2Confident78.3Confident104 Ų10471.4 Ų71.445%0.45236%0.363SS..PPolyproline II helixtrans-75.6141.9176.9-65.8-179.1-160.8-167.90111L389 V390 V404L389-K392 VanDerWaalsContact CD2-CE 3.47Å; L389-K392 WeakPolarHBondContact O-CD 3.36Å; L389-K392 VanDerWaalsContact O-CE 3.22Å; L389-K392 WeakPolarHBondContact O-CE 3.34Å; L389-K392 WeakPolarHBondContact O-CG 3.46Å; V390-K392 PolarHBondContact O-N 2.78Å; K392-V404 WeakPolarHBondContact CE-O 3.28Å; K392-V404 PolarHBondContact NZ-O 2.92Å
393P70.6Confident78.1Confident95 Ų9573.1 Ų73.162%0.61737%0.369SS*.SBendcis-85131.92.432.9-33.7000113.1
394I78.5Confident78Confident8 Ų868.3 Ų68.34%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-84.3123.5177.4-69.3-179.7000110.3F350 I388 A391 L402 V404F350-I394 HydrophobicContact CE1-CG2 3.65Å; F350-I394 HydrophobicContact CZ-CG2 3.74Å; I388-I394 HydrophobicContact CB-CD1 4.21Å; I388-I394 HydrophobicContact CG2-CD1 3.5Å; I388-I394 VanDerWaalsContact CG2-CD1 3.5Å; I388-I394 WeakPolarHBondContact O-CD1 3.16Å; A391-I394 WeakPolarHBondContact O-CG1 3.26Å; I394-L402 HydrophobicContact CG2-CB 4.41Å; I394-L402 HydrophobicContact CG2-CD1 4.2Å; I394-L402 PolarHBondContact O-N 3.14Å; I394-V404 HydrophobicContact CB-CG2 4.49Å; I394-V404 HydrophobicContact CD1-CG2 4.34Å
395M76.4Confident77.7Confident69 Ų6970.8 Ų70.834%0.3436%0.358SS..EExtended strand (participates in β ladder)trans-103.6110.7179-61.1-63.3-5800110.3G398 V400 R401M395-G398 WeakPolarHBondContact CE-O 3.39Å; M395-V400 CarbonylContact C-O 3.51Å; M395-V400 WeakPolarHBondContact CA-O 3.47Å; M395-R401 HydrophobicContact CE-CG 4.07Å; M395-R401 HydrophobicContact SD-CB 4.45Å; M395-R401 HydrophobicContact SD-CG 3.34Å; M395-R401 WeakPolarHBondContact SD-CG 3.26Å
396F73.8Confident77.4Confident6 Ų675.1 Ų75.13%0.02638%0.378CS..EExtended strand (participates in β ladder)trans-86134.4171.9-175.2-100.2000110.7I342 E346 L347 F350 G398 E399 V400 L402I342-F396 HydrophobicContact CD1-CD1 4.22Å; I342-F396 HydrophobicContact CD1-CE1 3.41Å; I342-F396 VanDerWaalsContact CD1-CE1 3.41Å; I342-F396 HydrophobicContact CD1-CE2 4.35Å; I342-F396 HydrophobicContact CD1-CZ 3.5Å; I342-F396 VanDerWaalsContact CD1-CZ 3.5Å; E346-F396 HydrophobicContact CB-CZ 4.16Å; L347-F396 HydrophobicContact CD1-CD2 4.3Å; L347-F396 HydrophobicContact CD1-CE2 4.16Å; F350-F396 HydrophobicContact CB-CD2 4.31Å; F350-F396 HydrophobicContact CB-CE2 4.05Å; F350-F396 HydrophobicContact CD1-CD2 4.28Å; F350-F396 HydrophobicContact CD2-CD2 4.15Å; F350-F396 AromaticContact CG-CD2 3.97Å; F350-F396 HydrophobicContact CG-CD2 3.97Å; F350-F396 HydrophobicContact CG-CE2 4.22Å; F396-G398 PolarHBondContact O-N 2.9Å; F396-E399 PolarHBondContact O-N 2.81Å; F396-V400 PolarHBondContact N-O 3.36Å; F396-V400 PolarHBondContact O-N 2.61Å; F396-L402 HydrophobicContact CB-CD1 3.84Å; F396-L402 HydrophobicContact CB-CD2 3.9Å; F396-L402 HydrophobicContact CB-CG 3.73Å; F396-L402 HydrophobicContact CG-CD1 4.45Å
397R70.6Confident76.9Confident133 Ų13372 Ų7250%0.50236%0.363SS..THydrogen-bonded Turntrans49.617.8-170.3-68.7176.1175.8176.2-3.9114.5E346 E399E346-R397 IonicContact OE1-CZ 2.65Å; E346-R397 IonicContact OE1-NE 3.29Å; E346-R397 IonicContact OE1-NH2 3.2Å; E346-R397 PolarHBondContact OE1-NH2 2.94Å; E346-R397 IonicContact OE2-CZ 3.1Å; E346-R397 IonicContact OE2-NE 2.71Å; E346-R397 PolarHBondContact OE2-NE 3.25Å; E346-R397 IonicContact OE2-NH2 2.68Å; E346-R397 PolarHBondContact OE2-NH2 3.44Å; R397-E399 PolarHBondContact O-N 3.49Å
398G66.3Low75.8Confident56 Ų5670.9 Ų70.958%0.57736%0.361SS*.THydrogen-bonded Turntrans75.9-14.6-175.600000115.8M395 F396M395-G398 WeakPolarHBondContact CE-O 3.39Å; F396-G398 PolarHBondContact O-N 2.9Å
399E66.9Low74.4Confident171 Ų17174.2 Ų74.280%0.79938%0.382SS*.THydrogen-bonded Turntrans-107.8-35.2-173.1-63-178.4155.400113.2F396 R397F396-E399 PolarHBondContact O-N 2.81Å; R397-E399 PolarHBondContact O-N 3.49Å
400V73.8Confident73.1Confident40 Ų4082.2 Ų82.224%0.24241%0.409CS..EExtended strand (participates in β ladder)trans-101.9121.1-172.2-175.20000111N337 M395 F396 L402N337-V400 WeakPolarHBondContact O-CG1 3.38Å; M395-V400 CarbonylContact C-O 3.51Å; M395-V400 WeakPolarHBondContact CA-O 3.47Å; F396-V400 PolarHBondContact N-O 3.36Å; F396-V400 PolarHBondContact O-N 2.61Å; V400-L402 HydrophobicContact CG1-CD2 4.37Å; V400-L402 PolarHBondContact O-N 3.16Å
401R78Confident71.6Confident172 Ų17279.6 Ų79.665%0.64940%0.401SS*.EExtended strand (participates in β ladder)trans-75.1114169.4-75.4176.3-179.2-175.41110.1N337 M395N337-R401 PolarHBondContact ND2-O 2.88Å; M395-R401 HydrophobicContact CE-CG 4.07Å; M395-R401 HydrophobicContact SD-CB 4.45Å; M395-R401 HydrophobicContact SD-CG 3.34Å; M395-R401 WeakPolarHBondContact SD-CG 3.26Å
402L81.1Confident70.5Confident12 Ų1279.1 Ų79.16%0.06340%0.397CS..EExtended strand (participates in β ladder)trans-79.2129.3171.7-61.3-171.6000109.7V335 L338 L347 F351 I394 F396 V400 V404V335-L402 HydrophobicContact CG1-CB 4.29Å; V335-L402 HydrophobicContact CG1-CD1 3.89Å; V335-L402 HydrophobicContact CG1-CD2 4.38Å; V335-L402 HydrophobicContact CG1-CG 4.42Å; L338-L402 HydrophobicContact CD2-CD2 3.85Å; L347-L402 HydrophobicContact CD1-CD1 4.44Å; F351-L402 HydrophobicContact CZ-CD1 4.05Å; I394-L402 HydrophobicContact CG2-CB 4.41Å; I394-L402 HydrophobicContact CG2-CD1 4.2Å; I394-L402 PolarHBondContact O-N 3.14Å; F396-L402 HydrophobicContact CB-CD1 3.84Å; F396-L402 HydrophobicContact CB-CD2 3.9Å; F396-L402 HydrophobicContact CB-CG 3.73Å; F396-L402 HydrophobicContact CG-CD1 4.45Å; V400-L402 HydrophobicContact CG1-CD2 4.37Å; V400-L402 PolarHBondContact O-N 3.16Å; L402-V404 HydrophobicContact CB-CG2 3.8Å; L402-V404 PolarHBondContact O-N 3.17Å
403N80.2Confident69.3Low78 Ų7880.1 Ų80.142%0.41740%0.398SS..EExtended strand (participates in β ladder)trans-86.295.3170-178.555.5000109.1G336 N337 E405G336-N403 PolarHBondContact N-O 2.61Å; G336-N403 PolarHBondContact O-N 3.11Å; N337-N403 HydrophobicContact CB-CB 4.44Å; N403-E405 PolarHBondContact ND2-OE1 2.78Å
404V82.9Confident68.4Low2 Ų279.7 Ų79.71%0.01239%0.388CS..EExtended strand (participates in β ladder)trans-98.1126.2-176.1-172.90000110.7L333 F334 V335 I388 K392 I394 L402L333-V404 HydrophobicContact CD1-CG1 3.42Å; L333-V404 VanDerWaalsContact CD1-CG1 3.42Å; L333-V404 HydrophobicContact CD2-CG1 3.72Å; L333-V404 HydrophobicContact CG-CG1 3.56Å; F334-V404 WeakPolarHBondContact O-CA 3.15Å; V335-V404 HydrophobicContact CG1-CG2 4.48Å; I388-V404 HydrophobicContact CG2-CB 4.46Å; I388-V404 HydrophobicContact CG2-CG1 3.57Å; K392-V404 WeakPolarHBondContact CE-O 3.28Å; K392-V404 PolarHBondContact NZ-O 2.92Å; I394-V404 HydrophobicContact CB-CG2 4.49Å; I394-V404 HydrophobicContact CD1-CG2 4.34Å; L402-V404 HydrophobicContact CB-CG2 3.8Å; L402-V404 PolarHBondContact O-N 3.17Å
405E79.6Confident67.2Low59 Ų5989.4 Ų89.428%0.27642%0.424SS..EExtended strand (participates in β ladder)trans-131.6152.3178.6-63.8168.4-16000109.6F334 N403F334-E405 HydrophobicContact CB-CB 4.32Å; F334-E405 HydrophobicContact CD1-CB 4.05Å; F334-E405 HydrophobicContact CD1-CG 4.35Å; F334-E405 PolarHBondContact N-O 3.02Å; F334-E405 PolarHBondContact O-N 3Å; N403-E405 PolarHBondContact ND2-OE1 2.78Å
406E79.9Confident66Low94 Ų9491.6 Ų91.644%0.43943%0.433SS..EExtended strand (participates in β ladder)trans-64.3145.9162.7-163-170.2163.400108.6V385 L389 K408V385-E406 HydrophobicContact CG1-CG 4.36Å; L389-E406 HydrophobicContact CD1-CB 4Å; E406-K408 PolarHBondContact O-N 3.03Å
407K71Confident65Low55 Ų5596.9 Ų96.924%0.23947%0.466CS..  trans-74.172-178.9-172.2-156.6164.1-160.60111.9D329 Q332 F376 T409D329-K407 IonicContact OD1-NZ 3.73Å; D329-K407 PolarHBondContact OD1-NZ 2.8Å; D329-K407 IonicContact OD2-NZ 2.76Å; Q332-K407 HydrophobicContact CB-CB 3.87Å; Q332-K407 HydrophobicContact CB-CD 3.58Å; Q332-K407 HydrophobicContact CB-CG 4.35Å; Q332-K407 HydrophobicContact CG-CD 4.27Å; Q332-K407 WeakPolarHBondContact O-CB 3.4Å; Q332-K407 PolarHBondContact O-N 2.99Å; F376-K407 HydrophobicContact CD1-CD 4.32Å; F376-K407 HydrophobicContact CD1-CG 4.13Å; F376-K407 HydrophobicContact CE1-CD 4.47Å; F376-K407 HydrophobicContact CE1-CG 4Å; K407-T409 PolarHBondContact O-N 3.08Å
408K62Low64Low114 Ų11499.2 Ų99.250%0.49648%0.475SS..  trans-48.6130167.4-75.8-175.4177177.40110.3E406 A412 E416E406-K408 PolarHBondContact O-N 3.03Å; K408-A412 HydrophobicContact CB-CB 4.46Å; K408-E416 IonicContact NZ-OE1 3.59Å; K408-E416 PolarHBondContact NZ-OE1 2.87Å; K408-E416 IonicContact NZ-OE2 2.76Å; K408-E416 PolarHBondContact NZ-OE2 3.44Å
409T55.5Low63Low70 Ų7099.6 Ų99.643%0.42948%0.479SS..  trans-55149.6177.368.10000111.3K407 A411 A412 R413K407-T409 PolarHBondContact O-N 3.08Å; T409-A411 PolarHBondContact O-N 3.1Å; T409-A412 PolarHBondContact O-N 2.97Å; T409-A412 PolarHBondContact OG1-N 2.9Å; T409-R413 PolarHBondContact O-N 2.82Å
410R54Low62Low213 Ų21395.4 Ų95.480%0.80448%0.481SS*.Hα-helixtrans-54-32.4178.7-179.5175.4169.7176.6-2.5112.7E414R410-E414 WeakPolarHBondContact O-CB 3.41Å; R410-E414 PolarHBondContact O-N 3.46Å; R410-E414 VanDerWaalsContact O-N 3.15Å
411A48.6Very low60.8Low73 Ų7396.3 Ų96.360%0.60350%0.499SS*.Hα-helixtrans-67.1-38.8177.200000113T409 R415T409-A411 PolarHBondContact O-N 3.1Å; A411-R415 PolarHBondContact O-N 3.25Å
412A53.3Low59.3Low37 Ų3792.7 Ų92.731%0.30649%0.492SS..Hα-helixtrans-66.2-46.8176.500000111.6K408 T409 E414 R415 E416K408-A412 HydrophobicContact CB-CB 4.46Å; T409-A412 PolarHBondContact O-N 2.97Å; T409-A412 PolarHBondContact OG1-N 2.9Å; A412-E414 VanDerWaalsContact C-N 3.29Å; A412-E414 PolarHBondContact O-N 2.79Å; A412-R415 WeakPolarHBondContact O-CA 3.47Å; A412-R415 WeakPolarHBondContact O-CB 3.41Å; A412-R415 PolarHBondContact O-N 3.38Å; A412-E416 PolarHBondContact O-N 2.67Å; A412-E416 VanDerWaalsContact O-N 3.07Å
413R53.2Low57.6Low125 Ų12599.6 Ų99.647%0.47253%0.529SS..Hα-helixtrans-63.4-33.7179.6-162.3174-169.7144.410.2112.8T409 R415 T417T409-R413 PolarHBondContact O-N 2.82Å; R413-R415 VanDerWaalsContact C-N 3.31Å; R413-T417 WeakPolarHBondContact O-CB 3.37Å; R413-T417 PolarHBondContact O-N 2.98Å; R413-T417 PolarHBondContact O-OG1 2.94Å
414E50.4Low56.2Low87 Ų87106.9 Ų106.941%0.40755%0.551SS.*Hα-helixtrans-73.7-20.8175.2-172158.3-17100113R410 A412 R418R410-E414 WeakPolarHBondContact O-CB 3.41Å; R410-E414 PolarHBondContact O-N 3.46Å; R410-E414 VanDerWaalsContact O-N 3.15Å; A412-E414 VanDerWaalsContact C-N 3.29Å; A412-E414 PolarHBondContact O-N 2.79Å; E414-R418 IonicContact OE1-CZ 3.1Å; E414-R418 IonicContact OE1-NH1 3.36Å; E414-R418 PolarHBondContact OE1-NH1 3.33Å; E414-R418 IonicContact OE1-NH2 2.7Å; E414-R418 PolarHBondContact OE1-NH2 2.96Å; E414-R418 VanDerWaalsContact OE1-NH2 3.1Å
415R53.7Low54.7Low212 Ų212115.2 Ų115.280%0.858%0.582SS**Hα-helixtrans-80.3-43.9173-162.5175.8-170.1-99.73.9112A411 A412 R413 G419A411-R415 PolarHBondContact O-N 3.25Å; A412-R415 WeakPolarHBondContact O-CA 3.47Å; A412-R415 WeakPolarHBondContact O-CB 3.41Å; A412-R415 PolarHBondContact O-N 3.38Å; R413-R415 VanDerWaalsContact C-N 3.31Å; R415-G419 PolarHBondContact O-N 2.91Å
416E50.2Low53.2Low115 Ų115119.3 Ų119.354%0.53761%0.606SS.*Hα-helixtrans-61.6-47.8175.4-71.5175153.800111.4K408 A412 R418 G419K408-E416 IonicContact NZ-OE1 3.59Å; K408-E416 PolarHBondContact NZ-OE1 2.87Å; K408-E416 IonicContact NZ-OE2 2.76Å; K408-E416 PolarHBondContact NZ-OE2 3.44Å; A412-E416 PolarHBondContact O-N 2.67Å; A412-E416 VanDerWaalsContact O-N 3.07Å; E416-R418 PolarHBondContact O-N 3.16Å; E416-R418 VanDerWaalsContact O-N 3.11Å; E416-G419 PolarHBondContact O-N 3.35Å; E416-G419 VanDerWaalsContact O-N 3.11Å
417T53.8Low51.7Low117 Ų117122.2 Ų122.272%0.71862%0.623SS**THydrogen-bonded Turntrans-66.7-16.5-174.7-47.50000113.8R413R413-T417 WeakPolarHBondContact O-CB 3.37Å; R413-T417 PolarHBondContact O-N 2.98Å; R413-T417 PolarHBondContact O-OG1 2.94Å
418R49.2Very low50.5Low182 Ų182130.9 Ų130.969%0.68765%0.654SS**THydrogen-bonded Turntrans-105.9-3.1175.7-67.2-163-178.5105.13114.4E414 E416 G420E414-R418 IonicContact OE1-CZ 3.1Å; E414-R418 IonicContact OE1-NH1 3.36Å; E414-R418 PolarHBondContact OE1-NH1 3.33Å; E414-R418 IonicContact OE1-NH2 2.7Å; E414-R418 PolarHBondContact OE1-NH2 2.96Å; E414-R418 VanDerWaalsContact OE1-NH2 3.1Å; E416-R418 PolarHBondContact O-N 3.16Å; E416-R418 VanDerWaalsContact O-N 3.11Å; R418-G420 PolarHBondContact O-N 2.93Å
419G45.1Very low49.8Very low64 Ų64136.6 Ų136.666%0.6667%0.673SS**SBendtrans-82.5-3.8-171.400000116.8R415 E416R415-G419 PolarHBondContact O-N 2.91Å; E416-G419 PolarHBondContact O-N 3.35Å; E416-G419 VanDerWaalsContact O-N 3.11Å
420G46.9Very low49.2Very low83 Ų83141 Ų14186%0.85669%0.694SS**SBendtrans-110.531.3-170.100000115.9R418R418-G420 PolarHBondContact O-N 2.93Å
421G48.5Very low48.8Very low59 Ų59138.4 Ų138.461%0.60870%0.695SS**SBendtrans-118.4-21.3-159.300000119.7
422D45.1Very low48.4Very low96 Ų96146.5 Ų146.551%0.51371%0.71SS.*SBendtrans-110.8-21-163.2-111-42.5000117.2R424 R425D422-R424 PolarHBondContact O-N 3.45Å; D422-R425 IonicContact OD1-CZ 2.68Å; D422-R425 VanDerWaalsContact OD1-CZ 3.3Å; D422-R425 IonicContact OD1-NE 3.44Å; D422-R425 PolarHBondContact OD1-NE 3Å; D422-R425 VanDerWaalsContact OD1-NE 3.1Å; D422-R425 IonicContact OD1-NH2 3.3Å; D422-R425 PolarHBondContact OD1-NH2 3.24Å; D422-R425 IonicContact OD2-NH2 2.77Å; D422-R425 PolarHBondContact OD2-NH2 2.63Å
423D47.3Very low47.5Very low156 Ų156148 Ų14883%0.83473%0.729SS**THydrogen-bonded Turntrans-72.234.5-178.3-62.5-85.7000115.5
424R50.8Low47.5Very low232 Ų232148.8 Ų148.888%0.87575%0.75SS**THydrogen-bonded Turntrans-136.3-0.4177.5-72-169.3174.6-179.4-0.4115.8D422D422-R424 PolarHBondContact O-N 3.45Å
425R50.8Low46.6Very low177 Ų177148.5 Ų148.567%0.66877%0.771SS**SBendtrans-91.1-29.4-176.3-78.4-169.1-83.8-154.8-0.8116D422D422-R425 IonicContact OD1-CZ 2.68Å; D422-R425 VanDerWaalsContact OD1-CZ 3.3Å; D422-R425 IonicContact OD1-NE 3.44Å; D422-R425 PolarHBondContact OD1-NE 3Å; D422-R425 VanDerWaalsContact OD1-NE 3.1Å; D422-R425 IonicContact OD1-NH2 3.3Å; D422-R425 PolarHBondContact OD1-NH2 3.24Å; D422-R425 IonicContact OD2-NH2 2.77Å; D422-R425 PolarHBondContact OD2-NH2 2.63Å
426D47.1Very low45.6Very low145 Ų145142 Ų14278%0.77577%0.77SS**G310 helixtrans-87-11.1-170.4-68.6-66.1000116.3R428D426-R428 PolarHBondContact O-N 2.73Å
427I49.3Very low45.8Very low154 Ų154142.1 Ų142.179%0.7978%0.78SS**G310 helixtrans-81.8-9.9-175.2-67.3171.3000113.3
428R45.4Very low44.8Very low238 Ų238148.3 Ų148.390%0.89879%0.791SS**G310 helixtrans-109.625.1-175.4-70.6-167.5175.6-168.40115.6D426D426-R428 PolarHBondContact O-N 2.73Å
429R46.8Very low43.9Very low234 Ų234142.9 Ų142.988%0.88379%0.791SS**SBendtrans-114.55.4-178.9-111.6-174.9-176.4-150.10.7117
430N44.7Very low43.3Very low163 Ų163147.9 Ų147.987%0.87280%0.801SS**SBendtrans-117.916.7-170.8-138.950.9000115.7
431D45Very low42.7Very low157 Ų157151 Ų15184%0.8480%0.803SS**  trans-137.186.9-178.6-132.3-44.9000113.2
432R39.3Very low41.9Very low244 Ų244151.3 Ų151.392%0.92181%0.807SS**  trans-162.4103.1148.3-113.1166.7-165.1168.86112
433G35.3Very low41.3Very low67 Ų67151 Ų15169%0.69183%0.826SS**  trans-70.5-170.8164.800000113.8
434P53.7Low40.5Very low142 Ų142146.9 Ų146.992%0.92282%0.82SS**  trans-98.4147.5-148.335.8-36.4000115.9
435G31.9Very low39.8Very low81 Ų81144.8 Ų144.884%0.83582%0.823SS**  trans174.2133.5165.400000114
436G30.8Very low39.3Very low76 Ų76145 Ų14578%0.78483%0.834SS**  trans-105.6-151.9160.100000110.2
437P54.3Low38.8Very low117 Ų117149 Ų14976%0.7684%0.838SS**  cis-136-167.3-2.442.4-24.9000114.1
438R33.2Very low38.2Very low248 Ų248147.6 Ų147.694%0.93683%0.832SS**  trans94.4136.1177.5-59.7174.9161.1120.3-5.8115.2
439G30.5Very low37.6Very low68 Ų68146.1 Ų146.170%0.70183%0.826SS**  cis169.1144.3-14.300000116.7
440I32.2Very low37.1Very low169 Ų169141.4 Ų141.487%0.86782%0.819SS**  trans57105.1150.5-52173.7000118.8
441V34.3Very low36.6Very low147 Ų147136.8 Ų136.889%0.89181%0.809SS**  -158.2144.5104.5-177.20000106.4
442G31.3Very low36.3Very low67 Ų67141.5 Ų141.569%0.69182%0.815SS**  cis167.3119.1-11.100000112.3
443G32.8Very low36.3Very low89 Ų89133.1 Ų133.192%0.91880%0.804SS**  trans84.1151.5175.400000116
444G31.4Very low37.1Very low69 Ų69135.8 Ų135.871%0.71181%0.81SS**  cis168.8129.7-10.500000113.8
445M36.5Very low37.2Very low188 Ų188134.9 Ų134.993%0.92680%0.804SS**  trans66.7123.8-178.8-50-174.2-176.100114.5
446M39.3Very low38.3Very low183 Ų183137.2 Ų137.290%0.90180%0.804SS**  cis71.2105.941.8-63.4-178.215200115.1
447R36Very low38.8Very low228 Ų228145.8 Ų145.886%0.8681%0.813SS**  -168.6134.3101.5-94.6-166.2173.9156.62.6112.5
448D37Very low37.8Very low124 Ų124143.9 Ų143.966%0.66382%0.815SS**  trans40.7117.1132.9-64.4-77.6000119.9
449R32.8Very low37.8Very low208 Ų208135.4 Ų135.479%0.78580%0.804SS**  100.6146.880.9-168.7-140.8-174.2130.20.5109.5
450D37.7Very low38Very low135 Ų135141.5 Ų141.572%0.72282%0.817SS**  cis-110.1174.8-3.9-63.2-93.5000109.3
451G33.8Very low38.2Very low65 Ų65137 Ų13767%0.6781%0.805SS**  cis125.283.83.800000113.1
452R38.6Very low38.2Very low257 Ų257139 Ų13997%0.9780%0.804SS**  trans-169.5143153.9-107.8163.1-162-157.13.5112.4
453G38.1Very low38.3Very low67 Ų67145.2 Ų145.269%0.69181%0.812SS**  trans-92.3-174176.400000114
454P53.9Low38.2Very low123 Ų123148.4 Ų148.480%0.79981%0.808SS**  trans-80.5153.9-171.933.1-36.7000114
455P54.6Low38.3Very low124 Ų124148.8 Ų148.881%0.80581%0.812SS**  trans-78153.916533.3-33.4000111.8
456P54.7Low38.3Very low130 Ų130145.8 Ų145.884%0.84481%0.809SS**  trans-114.3-176.1-163.842.2-33.2000115.4
457R42.3Very low38Very low255 Ų255140.4 Ų140.496%0.96280%0.801SS**  trans-86.6136.1-179.8177.4-175.3-175.4173.92.3112.9
458G32.4Very low37.9Very low77 Ų77142 Ų14279%0.79481%0.807SS**  trans155.3151.1167.200000111.9
459G33.2Very low37.6Very low70 Ų70139.3 Ų139.372%0.72281%0.808SS**  cis167.6164.4-4.400000111.2
460M36Very low37.7Very low197 Ų197136.7 Ų136.797%0.9782%0.815SS**  trans64.4159.7177.7-71.5-179.1158.700117.1
461A34.9Very low37.6Very low73 Ų73133.6 Ų133.660%0.60382%0.816SS**  cis-168.9156.4-30.900000111.5
462Q34.4Very low37.7Very low189 Ų189140 Ų14088%0.88383%0.828SS**  trans42.4117.2146.5-65.1171.5-5.200121.4
463K34.4Very low37.5Very low198 Ų198136.4 Ų136.486%0.86183%0.825SS**  -170.6118.1105.9-138.4165.9178.9178.30109.1
464L31.4Very low37.5Very low157 Ų157141 Ų14182%0.82283%0.828SS**  64.4104.467.7-130.9167.3000113.1
465G31.6Very low36.7Very low77 Ų77139 Ų13979%0.79483%0.83SS**  trans-169.7113.4176.100000111.7
466S36.9Very low36Very low124 Ų124143.5 Ų143.587%0.86783%0.831SS**  trans-121.2146-174.8-56.30000112.2
467G32.5Very low35.5Very low71 Ų71146.6 Ų146.673%0.73283%0.831SS**  trans159.3113.5174.500000109.3
468R34.4Very low35.7Very low262 Ų262140.3 Ų140.399%0.98982%0.821SS**  cis75.899.731.4-151.9-171.2-159.4-157.67.1112.7
469G32.2Very low36Very low66 Ų66140.5 Ų140.568%0.6882%0.823SS**  trans169.985.4172.700000118.4
470T34.1Very low36.6Very low153 Ų153146.6 Ų146.694%0.93983%0.833SS**  trans40138.4131.155.20000124.5
471G35Very low37Very low71 Ų71148.4 Ų148.473%0.73283%0.829SS**  trans129.5111.1159.900000112.1
472Q35.2Very low37.9Very low200 Ų200160.2 Ų160.294%0.93586%0.858SS**  46.9122.659.3-69.3-173.9-22.100112.1
473M35.3Very low38Very low181 Ų181158.8 Ų158.889%0.89286%0.856SS**  -162.3177.554.5-173.8161.7172.400113.1
474E37.6Very low38.2Very low163 Ų163156.7 Ų156.776%0.76286%0.856SS**  trans-70.8165.8179.3-58.5170.185.900115.5
475G38Very low38.6Very low81 Ų81156.7 Ų156.784%0.83586%0.858SS**  trans-161.984.8170.300000114.6
476R39.8Very low39Very low219 Ų219161.4 Ų161.483%0.82686%0.862SS**  trans-85.9134171.2-67.6176174.7177.6-1.8111.6
477F43.6Very low39.2Very low195 Ų195163.7 Ų163.786%0.85586%0.862SS**  trans-158.699.5149.8-96.4-81.4000107.8
478T46.1Very low39.6Very low123 Ų123169.9 Ų169.976%0.75587%0.87SS**  40.6101.692.566.50000114.4
479G40.3Very low40Very low81 Ų81163.3 Ų163.384%0.83586%0.862SS**  trans-91.2-154.7177.800000114.2
480Q44.5Very low40.6Very low198 Ų198170.8 Ų170.893%0.92588%0.876SS**  trans-151.7154.3173.2-139.8172.519.400113
481R44.6Very low41.1Very low234 Ų234172.3 Ų172.388%0.88387%0.87SS**  trans-78.2152.5165.1-68.2176.3171.9175.8-4.5110.5
482R53.5Low41.7Very low321 Ų321181.5 Ų181.5100%1.21188%0.883SS**  -138.40118.9-97.6-168.6178.4-152.8-2.2109.8

Retrieved 482 of 482 residues in 144.3 ms (Link to these results)