A0A087XWB2_POEFO Loading...

Tubulin-specific chaperone E

AlphaFold DB , UniProt , Accession A0A087XWB2, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 511 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.3Very low79.8Confident236 Ų23680.8 Ų80.8100%1.16343%0.433SS*.  0104.50-81.9177.3-98.800106.9L3M1-L3 PolarHBondContact O-N 3.24Å
2L42.3Very low81Confident178 Ų17875.9 Ų75.993%0.93241%0.409SS*.PPolyproline II helixtrans-61.7123.3168.7-83.9144000106.3D4L2-D4 PolarHBondContact O-N 3.08Å
3L60.4Low81.6Confident140 Ų14075.5 Ų75.573%0.73343%0.434SS*.PPolyproline II helixtrans-49.8139.9172.7-90.791.8000108.9M1 P5M1-L3 PolarHBondContact O-N 3.24Å; L3-P5 VanDerWaalsContact O-CD 3.3Å; L3-P5 WeakPolarHBondContact O-CD 3.35Å; L3-P5 VanDerWaalsContact O-N 3.13Å
4D82.2Confident82.1Confident110 Ų11084.4 Ų84.459%0.58847%0.465SS*.PPolyproline II helixtrans-51.5118.3172.8-172.7-6.5000109.3L2 V6L2-D4 PolarHBondContact O-N 3.08Å; D4-V6 PolarHBondContact O-N 3.35Å; D4-V6 WeakPolarHBondContact OD1-CB 3.2Å; D4-V6 VanDerWaalsContact OD1-CG2 3.3Å; D4-V6 WeakPolarHBondContact OD1-CG2 3.48Å; D4-V6 PolarHBondContact OD1-N 2.99Å
5P88.9Confident82.9Confident30 Ų3082.9 Ų82.920%0.19545%0.453CS..  trans-69.9-16.5-178.8-14.227.4000113L3 G7 R8 V19 V22 F73L3-P5 VanDerWaalsContact O-CD 3.3Å; L3-P5 WeakPolarHBondContact O-CD 3.35Å; L3-P5 VanDerWaalsContact O-N 3.13Å; P5-G7 PolarHBondContact O-N 2.8Å; P5-R8 VanDerWaalsContact O-CB 3.29Å; P5-R8 WeakPolarHBondContact O-CB 3.47Å; P5-R8 PolarHBondContact O-N 2.9Å; P5-V19 HydrophobicContact CB-CG1 4.33Å; P5-V19 WeakPolarHBondContact O-CB 3.43Å; P5-V22 HydrophobicContact CB-CG2 3.89Å; P5-V22 HydrophobicContact CG-CG1 4.43Å; P5-V22 HydrophobicContact CG-CG2 3.86Å; P5-F73 HydrophobicContact CB-CE1 4.09Å; P5-F73 HydrophobicContact CB-CZ 3.99Å
6V94.1Very high83.7Confident66 Ų6680 Ų8040%0.443%0.434SS..THydrogen-bonded Turntrans-59.1133.1-179.5177.70000110.3D4 R8 V22D4-V6 PolarHBondContact O-N 3.35Å; D4-V6 WeakPolarHBondContact OD1-CB 3.2Å; D4-V6 VanDerWaalsContact OD1-CG2 3.3Å; D4-V6 WeakPolarHBondContact OD1-CG2 3.48Å; D4-V6 PolarHBondContact OD1-N 2.99Å; V6-R8 VanDerWaalsContact C-N 3.27Å; V6-R8 PolarHBondContact O-N 3.18Å; V6-V22 HydrophobicContact CG2-CG2 3.95Å
7G92.6Very high84.5Confident38 Ų3875.3 Ų75.339%0.39241%0.408SS..THydrogen-bonded Turntrans86.1-17.2-175.700000114.5P5 V19P5-G7 PolarHBondContact O-N 2.8Å; G7-V19 PolarHBondContact N-O 3.06Å
8R94.4Very high85.1Confident83 Ų8371.7 Ų71.731%0.31339%0.389SS..  trans-73.5151.9175.1-61.5-176.365.4-169.6-1.6111.1P5 V6 V19 F73P5-R8 VanDerWaalsContact O-CB 3.29Å; P5-R8 WeakPolarHBondContact O-CB 3.47Å; P5-R8 PolarHBondContact O-N 2.9Å; V6-R8 VanDerWaalsContact C-N 3.27Å; V6-R8 PolarHBondContact O-N 3.18Å; R8-V19 PolarHBondContact O-N 2.83Å; R8-F73 HydrophobicContact CB-CD1 4.32Å; R8-F73 HydrophobicContact CB-CE1 4.14Å
9R95.9Very high85.8Confident3 Ų367.9 Ų67.91%0.01137%0.368CS..EExtended strand (participates in β ladder)trans-90.3148.6172.4-60.4-172.865.6-165.2-2111.3A17 D38 S151 L152 L153 N177R9-A17 VanDerWaalsContact CA-O 3.32Å; R9-A17 WeakPolarHBondContact CA-O 3.4Å; R9-D38 IonicContact CZ-OD2 2.76Å; R9-D38 IonicContact NH2-OD2 2.74Å; R9-D38 PolarHBondContact NH2-OD2 2.85Å; R9-S151 PolarHBondContact NH1-O 3.26Å; R9-S151 PolarHBondContact NH2-O 2.98Å; R9-L152 HydrophobicContact CB-CB 4.02Å; R9-L152 HydrophobicContact CB-CD2 4.03Å; R9-L152 WeakPolarHBondContact CB-O 3.29Å; R9-L153 VanDerWaalsContact CD-O 3.26Å; R9-L153 WeakPolarHBondContact CD-O 3.39Å; R9-N177 PolarHBondContact NH1-OD1 3.05Å
10I96.8Very high86.3Confident0 Ų069.4 Ų69.40%037%0.368CS..EExtended strand (participates in β ladder)trans-134.8158.4176.759159.8000110.3R16 A17 V19 V35 A71 S72 F73I10-R16 WeakPolarHBondContact O-CA 3.22Å; I10-A17 HydrophobicContact CD1-CB 4.41Å; I10-A17 HydrophobicContact CG1-CB 4.06Å; I10-A17 PolarHBondContact N-O 2.68Å; I10-A17 PolarHBondContact O-N 2.8Å; I10-V19 HydrophobicContact CD1-CG2 4.34Å; I10-V19 HydrophobicContact CG1-CG2 4.25Å; I10-V19 HydrophobicContact CG2-CG2 3.78Å; I10-V35 HydrophobicContact CD1-CB 4.45Å; I10-V35 HydrophobicContact CD1-CG1 3.69Å; I10-A71 HydrophobicContact CB-CB 4.28Å; I10-A71 HydrophobicContact CD1-CB 3.63Å; I10-A71 HydrophobicContact CG2-CB 4.35Å; I10-S72 CarbonylContact C-O 3.59Å; I10-S72 WeakPolarHBondContact CA-O 3.46Å; I10-S72 WeakPolarHBondContact CB-O 3.3Å; I10-F73 HydrophobicContact CG2-CD1 3.64Å; I10-F73 HydrophobicContact CG2-CD2 4.25Å; I10-F73 HydrophobicContact CG2-CE1 3.46Å; I10-F73 VanDerWaalsContact CG2-CE1 3.46Å; I10-F73 HydrophobicContact CG2-CE2 4.09Å; I10-F73 HydrophobicContact CG2-CG 4.05Å; I10-F73 HydrophobicContact CG2-CZ 3.7Å
11S96.8Very high86.8Confident5 Ų568.8 Ų68.84%0.03536%0.362CS..EExtended strand (participates in β ladder)trans-110.5150163.8660000110.8E15 A71 S72 D126S11-E15 CarbonylContact C-O 3.56Å; S11-E15 WeakPolarHBondContact CA-O 3.34Å; S11-A71 WeakPolarHBondContact O-CA 3.44Å; S11-S72 PolarHBondContact N-O 2.61Å; S11-S72 PolarHBondContact O-N 2.85Å; S11-S72 WeakPolarHBondContact OG-CB 3.18Å; S11-D126 VanDerWaalsContact CB-OD2 3.26Å; S11-D126 WeakPolarHBondContact CB-OD2 3.1Å; S11-D126 PolarHBondContact OG-OD2 3.19Å
12C94.5Very high89.8Confident22 Ų2259.6 Ų59.615%0.14932%0.319CS..EExtended strand (participates in β ladder)trans-136.586.4174.4-72.80000108.1K14 E15 W37 K70C12-K14 PolarHBondContact O-N 3.2Å; C12-E15 PolarHBondContact N-O 3.38Å; C12-E15 PolarHBondContact O-N 3.17Å; C12-W37 HydrophobicContact CB-CH2 3.51Å; C12-W37 HydrophobicContact CB-CZ3 3.82Å; C12-K70 PolarHBondContact SG-O 2.71Å
13G89.1Confident92.3Very high71 Ų7151.6 Ų51.673%0.73228%0.279SS*.THydrogen-bonded Turntrans69.9-122.1-166.500000109.9
14K88.4Confident93.9Very high200 Ų20050.9 Ų50.987%0.8727%0.272SS*.THydrogen-bonded Turntrans-89.9-8.3178.9-63-172.7176.6-172.50114.1C12C12-K14 PolarHBondContact O-N 3.2Å
15E94.4Very high94.5Very high62 Ų6245.7 Ų45.729%0.2924%0.244SC..EExtended strand (participates in β ladder)trans-94.7144.6-175.7-61.7-64.6157.600111S11 C12 W37 R42S11-E15 CarbonylContact C-O 3.56Å; S11-E15 WeakPolarHBondContact CA-O 3.34Å; C12-E15 PolarHBondContact N-O 3.38Å; C12-E15 PolarHBondContact O-N 3.17Å; E15-W37 HydrophobicContact CB-CE3 3.83Å; E15-W37 HydrophobicContact CB-CZ3 3.63Å; E15-R42 HydrophobicContact CB-CG 4.49Å; E15-R42 HydrophobicContact CG-CG 4.1Å
16R95.8Very high94.4Very high36 Ų3648.1 Ų48.114%0.13626%0.261CS..EExtended strand (participates in β ladder)trans-115.9147.7179.5-67.6-179.6177.185.37111.4I10 D38 H124 D126 G150 L152I10-R16 WeakPolarHBondContact O-CA 3.22Å; R16-D38 HydrophobicContact CB-CB 4.4Å; R16-D38 VanDerWaalsContact CB-OD2 3.28Å; R16-D38 WeakPolarHBondContact CB-OD2 3.38Å; R16-D38 WeakPolarHBondContact O-CB 3.39Å; R16-D38 PolarHBondContact O-N 2.88Å; R16-H124 VanDerWaalsContact NH2-C 3.28Å; R16-H124 PolarHBondContact NH2-O 3.37Å; R16-D126 IonicContact NE-OD1 3.65Å; R16-D126 IonicContact NH2-OD1 3.41Å; R16-D126 PolarHBondContact NH2-OD1 2.81Å; R16-G150 PolarHBondContact NE-O 3.41Å; R16-G150 PolarHBondContact NH2-O 2.89Å; R16-L152 HydrophobicContact CG-CD2 4.13Å
17A96.3Very high94.2Very high0 Ų049.5 Ų49.50%027%0.272CS..EExtended strand (participates in β ladder)trans-148.3163.3-179.500000112.3R9 I10 V35 E36 W37R9-A17 VanDerWaalsContact CA-O 3.32Å; R9-A17 WeakPolarHBondContact CA-O 3.4Å; I10-A17 HydrophobicContact CD1-CB 4.41Å; I10-A17 HydrophobicContact CG1-CB 4.06Å; I10-A17 PolarHBondContact N-O 2.68Å; I10-A17 PolarHBondContact O-N 2.8Å; A17-V35 HydrophobicContact CB-CB 3.9Å; A17-V35 HydrophobicContact CB-CG2 4.07Å; A17-E36 CarbonylContact C-O 3.55Å; A17-E36 VanDerWaalsContact CA-O 3.27Å; A17-E36 WeakPolarHBondContact CA-O 3.49Å; A17-E36 WeakPolarHBondContact CB-O 3.39Å; A17-W37 HydrophobicContact CB-CD2 4.09Å; A17-W37 HydrophobicContact CB-CE3 3.63Å; A17-W37 HydrophobicContact CB-CZ3 3.9Å
18T96.1Very high94.2Very high10 Ų1053.3 Ų53.36%0.06128%0.275CS..EExtended strand (participates in β ladder)trans-104.5131.1168.3-54.50000109.3R20 V35 E36T18-R20 PolarHBondContact O-N 2.96Å; T18-V35 CarbonylContact O-C 3.55Å; T18-V35 WeakPolarHBondContact O-CA 3.15Å; T18-E36 PolarHBondContact N-O 3.17Å; T18-E36 PolarHBondContact O-N 3.32Å
19V97.3Very high94.1Very high0 Ų057.4 Ų57.40%030%0.298CS..EExtended strand (participates in β ladder)trans-72.8124.7174.1-1780000109.1P5 G7 R8 I10 V22 L33 V35 F73P5-V19 HydrophobicContact CB-CG1 4.33Å; P5-V19 WeakPolarHBondContact O-CB 3.43Å; G7-V19 PolarHBondContact N-O 3.06Å; R8-V19 PolarHBondContact O-N 2.83Å; I10-V19 HydrophobicContact CD1-CG2 4.34Å; I10-V19 HydrophobicContact CG1-CG2 4.25Å; I10-V19 HydrophobicContact CG2-CG2 3.78Å; V19-V22 HydrophobicContact CG1-CG2 3.7Å; V19-L33 HydrophobicContact CG1-CD2 4.4Å; V19-V35 HydrophobicContact CG2-CG1 4.35Å; V19-F73 HydrophobicContact CG2-CE1 4.41Å
20R96.6Very high93.9Very high98 Ų9858.8 Ų58.837%0.3731%0.313SS..EExtended strand (participates in β ladder)trans-112.2-22.7-179.2-64.6-60.9-169.1178.71.6113.1T18 G34 E36 F55T18-R20 PolarHBondContact O-N 2.96Å; R20-G34 PolarHBondContact N-O 3.17Å; R20-E36 HydrophobicContact CG-CB 3.83Å; R20-E36 IonicContact CZ-OE2 3.94Å; R20-E36 IonicContact NE-OE2 3.75Å; R20-E36 PolarHBondContact NE-OE2 3.09Å; R20-E36 VanDerWaalsContact NE-OE2 3.11Å; R20-E36 IonicContact NH2-OE2 2.71Å; R20-E36 PolarHBondContact NH2-OE2 3.16Å; R20-F55 HydrophobicContact CB-CB 3.79Å; R20-F55 HydrophobicContact CB-CD2 3.36Å; R20-F55 HydrophobicContact CB-CE2 4Å; R20-F55 HydrophobicContact CB-CG 3.68Å; R20-F55 HydrophobicContact CG-CD2 3.87Å; R20-F55 HydrophobicContact CG-CE2 4.3Å
21Y96.6Very high93.8Very high57 Ų5763 Ų6322%0.22434%0.335CS..EExtended strand (participates in β ladder)trans-148.2145.1-179.5174.1-97.1000110.6G23 H24 V25 L33 G34 Y54 F55 F65Y21-G23 WeakPolarHBondContact OH-CA 3.41Å; Y21-H24 PolarHBondContact OH-N 3.33Å; Y21-H24 PolarHBondContact OH-O 3.39Å; Y21-V25 HydrophobicContact CE1-CG2 4.14Å; Y21-L33 CarbonylContact O-C 3.14Å; Y21-L33 WeakPolarHBondContact O-CA 3.44Å; Y21-G34 PolarHBondContact N-O 3.33Å; Y21-G34 PolarHBondContact O-N 3.02Å; Y21-Y54 HydrophobicContact CD1-CD1 4.45Å; Y21-Y54 AromaticContact CE1-CD1 3.86Å; Y21-Y54 HydrophobicContact CE1-CD1 3.86Å; Y21-Y54 HydrophobicContact CE2-CD1 4.07Å; Y21-Y54 AromaticContact CZ-CD1 3.66Å; Y21-F55 HydrophobicContact CG-CD1 4.48Å; Y21-F65 HydrophobicContact CD1-CE1 4.13Å
22V96.1Very high93.8Very high43 Ų4364.4 Ų64.426%0.26134%0.34SS..EExtended strand (participates in β ladder)trans-135.4116.5173.5-178.40000108P5 V6 V19 L31 W32 L33P5-V22 HydrophobicContact CB-CG2 3.89Å; P5-V22 HydrophobicContact CG-CG1 4.43Å; P5-V22 HydrophobicContact CG-CG2 3.86Å; V6-V22 HydrophobicContact CG2-CG2 3.95Å; V19-V22 HydrophobicContact CG1-CG2 3.7Å; V22-L31 HydrophobicContact CG1-CD1 3.89Å; V22-L31 HydrophobicContact CG1-CD2 4.25Å; V22-L31 HydrophobicContact CG1-CG 4.31Å; V22-W32 WeakPolarHBondContact CA-O 3.27Å; V22-L33 HydrophobicContact CB-CD2 4.45Å; V22-L33 HydrophobicContact CG1-CD2 4.16Å; V22-L33 HydrophobicContact CG2-CD2 3.79Å
23G94.6Very high93.9Very high10 Ų1063.6 Ų63.610%0.10333%0.334CS..EExtended strand (participates in β ladder)trans164.9-167.3-178.600000114.5Y21 W32Y21-G23 WeakPolarHBondContact OH-CA 3.41Å; G23-W32 PolarHBondContact N-O 3.44Å; G23-W32 PolarHBondContact O-N 2.76Å
24H94.6Very high94.3Very high124 Ų12460.2 Ų60.257%0.57430%0.299SS*.EExtended strand (participates in β ladder)trans-81.1142.2177-80.2-85000111.1Y21 G30 Y54Y21-H24 PolarHBondContact OH-N 3.33Å; Y21-H24 PolarHBondContact OH-O 3.39Å; H24-G30 PolarHBondContact ND1-O 2.82Å; H24-Y54 WeakPolarHBondContact O-CE1 3.38Å
25V93.9Very high94.7Very high2 Ų250.7 Ų50.71%0.01226%0.257CS..EExtended strand (participates in β ladder)trans-124.5103.8178.7-179.30000107.4Y21 Y28 W32 H49 Y54 F65Y21-V25 HydrophobicContact CE1-CG2 4.14Å; V25-Y28 WeakPolarHBondContact O-CA 3.35Å; V25-Y28 WeakPolarHBondContact O-CB 3.37Å; V25-Y28 PolarHBondContact O-N 3.29Å; V25-W32 HydrophobicContact CB-CG 4.32Å; V25-W32 HydrophobicContact CG2-CB 3.76Å; V25-W32 HydrophobicContact CG2-CG 3.97Å; V25-H49 HydrophobicContact CG1-CB 4.11Å; V25-Y54 HydrophobicContact CB-CE1 4.5Å; V25-Y54 HydrophobicContact CG1-CE2 4.04Å; V25-Y54 HydrophobicContact CG2-CE1 4.35Å; V25-F65 HydrophobicContact CB-CD1 4.5Å; V25-F65 HydrophobicContact CG1-CD1 4.42Å; V25-F65 HydrophobicContact CG1-CD2 4.29Å; V25-F65 HydrophobicContact CG1-CE1 4.29Å; V25-F65 HydrophobicContact CG1-CE2 4.23Å; V25-F65 HydrophobicContact CG1-CG 4.39Å; V25-F65 HydrophobicContact CG1-CZ 4.2Å; V25-F65 HydrophobicContact CG2-CD1 3.43Å; V25-F65 VanDerWaalsContact CG2-CD1 3.43Å; V25-F65 HydrophobicContact CG2-CE1 3.41Å; V25-F65 VanDerWaalsContact CG2-CE1 3.41Å; V25-F65 HydrophobicContact CG2-CG 4.09Å; V25-F65 HydrophobicContact CG2-CZ 4.12Å
26S88.3Confident94.9Very high80 Ų8048 Ų4856%0.55925%0.245SC*.THydrogen-bonded Turntrans-61.1138.8-178.9-172.30000110.9H49 Y54S26-H49 PolarHBondContact O-CD2 2.75Å; S26-Y54 PolarHBondContact N-OH 3.4Å
27P90.1Very high94.9Very high96 Ų9646.6 Ų46.662%0.62324%0.24SC*.THydrogen-bonded Turncis-91.29137-36.1000114
28Y92.6Very high94.8Very high118 Ų11848.4 Ų48.446%0.46325%0.249SC..EExtended strand (participates in β ladder)trans-76.8133-173.4-55.6-72.6000112.8V25 W32 H49V25-Y28 WeakPolarHBondContact O-CA 3.35Å; V25-Y28 WeakPolarHBondContact O-CB 3.37Å; V25-Y28 PolarHBondContact O-N 3.29Å; Y28-W32 HydrophobicContact CD1-CZ2 4.48Å; Y28-W32 HydrophobicContact CD2-CZ2 4.35Å; Y28-W32 AromaticContact CG-CZ2 3.96Å; Y28-W32 HydrophobicContact CG-CZ2 3.96Å; Y28-H49 AromaticContact CE2-CD2 3.96Å; Y28-H49 AromaticContact CE2-CE1 3.91Å; Y28-H49 AromaticContact CE2-NE2 3.23Å; Y28-H49 WeakPolarHBondContact CE2-NE2 3.32Å
29E92.2Very high94.6Very high169 Ų16951.3 Ų51.379%0.7926%0.264SS*.EExtended strand (participates in β ladder)trans-73.3157.2174.7-64.1-171.9171.200113.1R67E29-R67 PolarHBondContact O-NH1 3.46Å; E29-R67 PolarHBondContact O-NH2 2.92Å
30G91.9Very high94.3Very high31 Ų3153.3 Ų53.332%0.3228%0.277SS..EExtended strand (participates in β ladder)trans80177.3176.400000114.7H24 W32H24-G30 PolarHBondContact ND1-O 2.82Å; G30-W32 VanDerWaalsContact O-CD1 3.25Å
31L93.8Very high94.2Very high88 Ų8856.2 Ų56.246%0.46130%0.295SS..EExtended strand (participates in β ladder)trans-75.8140.4-179.5-168.568.5000111.3V22 R67 P68V22-L31 HydrophobicContact CG1-CD1 3.89Å; V22-L31 HydrophobicContact CG1-CD2 4.25Å; V22-L31 HydrophobicContact CG1-CG 4.31Å; L31-R67 PolarHBondContact O-NH1 2.9Å; L31-P68 HydrophobicContact CB-CG 4.38Å; L31-P68 HydrophobicContact CD2-CG 4.12Å; L31-P68 HydrophobicContact CG-CG 4.27Å; L31-P68 WeakPolarHBondContact O-CD 3.32Å
32W96.4Very high94.1Very high36 Ų3660 Ų6014%0.13631%0.309CS..EExtended strand (participates in β ladder)trans-128.8147.9173.8-67.787.7000111V22 G23 V25 Y28 G30 F65 R67V22-W32 WeakPolarHBondContact CA-O 3.27Å; G23-W32 PolarHBondContact N-O 3.44Å; G23-W32 PolarHBondContact O-N 2.76Å; V25-W32 HydrophobicContact CB-CG 4.32Å; V25-W32 HydrophobicContact CG2-CB 3.76Å; V25-W32 HydrophobicContact CG2-CG 3.97Å; Y28-W32 HydrophobicContact CD1-CZ2 4.48Å; Y28-W32 HydrophobicContact CD2-CZ2 4.35Å; Y28-W32 AromaticContact CG-CZ2 3.96Å; Y28-W32 HydrophobicContact CG-CZ2 3.96Å; G30-W32 VanDerWaalsContact O-CD1 3.25Å; W32-F65 HydrophobicContact CB-CD1 4.42Å; W32-F65 HydrophobicContact CD2-CB 4.36Å; W32-F65 HydrophobicContact CE3-CB 3.71Å; W32-F65 HydrophobicContact CZ3-CB 4.18Å; W32-R67 VanDerWaalsContact CE2-NH1 3.33Å; W32-R67 HydrophobicContact CE3-CG 4.39Å; W32-R67 HydrophobicContact CH2-CG 4.31Å; W32-R67 VanDerWaalsContact CZ2-NE 3.3Å; W32-R67 HydrophobicContact CZ3-CG 4.05Å; W32-R67 VanDerWaalsContact NE1-NH1 3.17Å
33L97.3Very high94Very high4 Ų458.5 Ų58.52%0.02130%0.303CS..EExtended strand (participates in β ladder)trans-99.6115.9166-54.6-180000107.6V19 Y21 V22 V35 F65 V66 P68 A71 F73V19-L33 HydrophobicContact CG1-CD2 4.4Å; Y21-L33 CarbonylContact O-C 3.14Å; Y21-L33 WeakPolarHBondContact O-CA 3.44Å; V22-L33 HydrophobicContact CB-CD2 4.45Å; V22-L33 HydrophobicContact CG1-CD2 4.16Å; V22-L33 HydrophobicContact CG2-CD2 3.79Å; L33-V35 HydrophobicContact CB-CG1 3.84Å; L33-F65 CarbonylContact O-C 3.58Å; L33-F65 WeakPolarHBondContact O-CA 3.29Å; L33-V66 PolarHBondContact N-O 3.12Å; L33-V66 PolarHBondContact O-N 2.98Å; L33-P68 HydrophobicContact CD1-CB 4.44Å; L33-P68 HydrophobicContact CD2-CG 4.46Å; L33-P68 HydrophobicContact CG-CG 4.14Å; L33-A71 HydrophobicContact CD1-CB 3.86Å; L33-F73 HydrophobicContact CD1-CZ 4.38Å
34G97.5Very high94Very high0 Ų066 Ų660%033%0.333CS..EExtended strand (participates in β ladder)trans-78.7120.7162.200000108.4R20 Y21R20-G34 PolarHBondContact N-O 3.17Å; Y21-G34 PolarHBondContact N-O 3.33Å; Y21-G34 PolarHBondContact O-N 3.02Å
35V97.5Very high94Very high0 Ų061.7 Ų61.70%031%0.312CS..EExtended strand (participates in β ladder)trans-126.9143.6-172.5-52.90000110.2I10 A17 T18 V19 L33 W37 G63 S64 V66I10-V35 HydrophobicContact CD1-CB 4.45Å; I10-V35 HydrophobicContact CD1-CG1 3.69Å; A17-V35 HydrophobicContact CB-CB 3.9Å; A17-V35 HydrophobicContact CB-CG2 4.07Å; T18-V35 CarbonylContact O-C 3.55Å; T18-V35 WeakPolarHBondContact O-CA 3.15Å; V19-V35 HydrophobicContact CG2-CG1 4.35Å; L33-V35 HydrophobicContact CB-CG1 3.84Å; V35-W37 HydrophobicContact CG2-CH2 4.47Å; V35-W37 HydrophobicContact CG2-CZ2 3.95Å; V35-G63 CarbonylContact O-C 3.48Å; V35-G63 VanDerWaalsContact O-CA 3.27Å; V35-G63 WeakPolarHBondContact O-CA 3.47Å; V35-S64 PolarHBondContact N-O 3.03Å; V35-S64 PolarHBondContact O-N 2.76Å; V35-V66 HydrophobicContact CG2-CG2 3.74Å
36E97.2Very high94.1Very high5 Ų564.3 Ų64.32%0.02333%0.326CS..EExtended strand (participates in β ladder)trans-104.3118.4169.4-179.2-173.3-147.700108.6A17 T18 R20 C57 R58A17-E36 CarbonylContact C-O 3.55Å; A17-E36 VanDerWaalsContact CA-O 3.27Å; A17-E36 WeakPolarHBondContact CA-O 3.49Å; A17-E36 WeakPolarHBondContact CB-O 3.39Å; T18-E36 PolarHBondContact N-O 3.17Å; T18-E36 PolarHBondContact O-N 3.32Å; R20-E36 HydrophobicContact CG-CB 3.83Å; R20-E36 IonicContact CZ-OE2 3.94Å; R20-E36 IonicContact NE-OE2 3.75Å; R20-E36 PolarHBondContact NE-OE2 3.09Å; R20-E36 VanDerWaalsContact NE-OE2 3.11Å; R20-E36 IonicContact NH2-OE2 2.71Å; R20-E36 PolarHBondContact NH2-OE2 3.16Å; E36-C57 HydrophobicContact CG-CB 4.27Å; E36-R58 VanDerWaalsContact OE1-CB 3.3Å; E36-R58 WeakPolarHBondContact OE1-CB 3.37Å; E36-R58 WeakPolarHBondContact OE1-CG 3.43Å; E36-R58 PolarHBondContact OE1-N 3.09Å; E36-R58 IonicContact OE1-NE 3.61Å; E36-R58 PolarHBondContact OE1-NE 3.43Å; E36-R58 IonicContact OE2-CZ 3.68Å; E36-R58 IonicContact OE2-NE 2.75Å; E36-R58 IonicContact OE2-NH2 3.71Å; E36-R58 PolarHBondContact OE2-NH2 2.86Å
37W96.3Very high94.5Very high8 Ų860.5 Ų60.53%0.0330%0.3CS..EExtended strand (participates in β ladder)trans-71.2153-178.1-64.9105.4000112.7C12 E15 A17 V35 N39 R42 G43 G62 S64 V66 R178C12-W37 HydrophobicContact CB-CH2 3.51Å; C12-W37 HydrophobicContact CB-CZ3 3.82Å; E15-W37 HydrophobicContact CB-CE3 3.83Å; E15-W37 HydrophobicContact CB-CZ3 3.63Å; A17-W37 HydrophobicContact CB-CD2 4.09Å; A17-W37 HydrophobicContact CB-CE3 3.63Å; A17-W37 HydrophobicContact CB-CZ3 3.9Å; V35-W37 HydrophobicContact CG2-CH2 4.47Å; V35-W37 HydrophobicContact CG2-CZ2 3.95Å; W37-N39 WeakPolarHBondContact CB-O 3.19Å; W37-R42 HydrophobicContact CB-CB 4.25Å; W37-R42 HydrophobicContact CD2-CB 4.22Å; W37-R42 HydrophobicContact CD2-CG 3.59Å; W37-R42 HydrophobicContact CE3-CG 3.99Å; W37-R42 HydrophobicContact CG-CB 3.95Å; W37-R42 HydrophobicContact CG-CG 3.84Å; W37-R42 HydrophobicContact CZ2-CG 4.32Å; W37-G43 VanDerWaalsContact CD1-CA 3.41Å; W37-G62 VanDerWaalsContact CD1-O 3.27Å; W37-G62 PolarHBondContact N-O 3.22Å; W37-S64 VanDerWaalsContact NE1-CB 3.27Å; W37-S64 PolarHBondContact NE1-OG 2.93Å; W37-V66 HydrophobicContact CH2-CG2 4.34Å; W37-V66 HydrophobicContact CZ2-CG2 3.88Å; W37-R178 PolarHBondContact O-NH1 3.27Å; W37-R178 PolarHBondContact O-NH2 2.75Å
38D93.4Very high94.8Very high37 Ų3757.5 Ų57.520%0.19828%0.281CS..SBendtrans-68.9-46.7171.3-68.1-1.7000110.9R9 R16 P40 R178R9-D38 IonicContact CZ-OD2 2.76Å; R9-D38 IonicContact NH2-OD2 2.74Å; R9-D38 PolarHBondContact NH2-OD2 2.85Å; R16-D38 HydrophobicContact CB-CB 4.4Å; R16-D38 VanDerWaalsContact CB-OD2 3.28Å; R16-D38 WeakPolarHBondContact CB-OD2 3.38Å; R16-D38 WeakPolarHBondContact O-CB 3.39Å; R16-D38 PolarHBondContact O-N 2.88Å; D38-P40 WeakPolarHBondContact O-CD 3.46Å; D38-R178 VanDerWaalsContact CA-CZ 3.43Å; D38-R178 VanDerWaalsContact CA-NH2 3.35Å; D38-R178 PolarHBondContact O-NH2 3.45Å; D38-R178 WeakPolarHBondContact OD1-CD 3.48Å; D38-R178 IonicContact OD1-CZ 2.87Å; D38-R178 IonicContact OD1-NE 2.81Å; D38-R178 PolarHBondContact OD1-NE 2.93Å; D38-R178 IonicContact OD1-NH1 2.74Å; D38-R178 PolarHBondContact OD1-NH1 3.01Å; D38-R178 IonicContact OD1-NH2 3.27Å
39N92.5Very high94.9Very high71 Ų7153.6 Ų53.638%0.3827%0.267SS..SBendtrans-87.8112.1167.11794.8000110.6W37 E41 R42W37-N39 WeakPolarHBondContact CB-O 3.19Å; N39-E41 PolarHBondContact O-N 3.06Å; N39-E41 WeakPolarHBondContact OD1-CB 3.38Å; N39-E41 PolarHBondContact OD1-N 2.86Å; N39-E41 VanDerWaalsContact OD1-N 3.1Å; N39-R42 WeakPolarHBondContact O-CB 3.45Å; N39-R42 PolarHBondContact O-N 3.18Å
40P91.7Very high94.8Very high42 Ų4253 Ų5327%0.27326%0.264SS..G310 helixtrans-64.2-26.2-178.326-34.2000113.7D38 R42 G43 N59D38-P40 WeakPolarHBondContact O-CD 3.46Å; P40-R42 PolarHBondContact O-N 3.17Å; P40-G43 PolarHBondContact O-N 2.96Å; P40-G43 VanDerWaalsContact O-N 3.11Å; P40-N59 HydrophobicContact CB-CB 3.72Å; P40-N59 WeakPolarHBondContact CB-ND2 3.3Å
41E93.5Very high94.8Very high159 Ų15955.5 Ų55.574%0.74329%0.289SS*.G310 helixtrans-66.6-18.3178.8-61.4-5713500112.8N39 G43N39-E41 PolarHBondContact O-N 3.06Å; N39-E41 WeakPolarHBondContact OD1-CB 3.38Å; N39-E41 PolarHBondContact OD1-N 2.86Å; N39-E41 VanDerWaalsContact OD1-N 3.1Å; E41-G43 VanDerWaalsContact C-N 3.34Å
42R94.4Very high94.8Very high136 Ų13654.8 Ų54.851%0.51329%0.288SS..G310 helixtrans-74.4-27.1175.5178.956.1-177.6162.5-4.1112.6E15 W37 N39 P40E15-R42 HydrophobicContact CB-CG 4.49Å; E15-R42 HydrophobicContact CG-CG 4.1Å; W37-R42 HydrophobicContact CB-CB 4.25Å; W37-R42 HydrophobicContact CD2-CB 4.22Å; W37-R42 HydrophobicContact CD2-CG 3.59Å; W37-R42 HydrophobicContact CE3-CG 3.99Å; W37-R42 HydrophobicContact CG-CB 3.95Å; W37-R42 HydrophobicContact CG-CG 3.84Å; W37-R42 HydrophobicContact CZ2-CG 4.32Å; N39-R42 WeakPolarHBondContact O-CB 3.45Å; N39-R42 PolarHBondContact O-N 3.18Å; P40-R42 PolarHBondContact O-N 3.17Å
43G93.9Very high94.8Very high13 Ų1357.8 Ų57.813%0.13430%0.304CS..  trans-79.5-177.4-174.200000113.4W37 P40 E41 K61 G63W37-G43 VanDerWaalsContact CD1-CA 3.41Å; P40-G43 PolarHBondContact O-N 2.96Å; P40-G43 VanDerWaalsContact O-N 3.11Å; E41-G43 VanDerWaalsContact C-N 3.34Å; G43-K61 CarbonylContact C-O 3.35Å; G43-K61 WeakPolarHBondContact CA-O 3.29Å; G43-G63 WeakPolarHBondContact CA-O 3.27Å
44K95.2Very high94.8Very high168 Ų16859.6 Ų59.673%0.7331%0.311SS*.  trans-132-28.8-171.7-61.8-176.4-179-1770113.6K61 G63K44-K61 PolarHBondContact N-O 2.77Å; K44-G63 PolarHBondContact N-O 3.03Å
45H95.4Very high94.8Very high33 Ų3360.3 Ų60.315%0.15331%0.314CS..BIsolated β-bridgetrans-151.6176.3-171.251.172000111.3G47 P60 K61 G62 G63 S64 F65H45-G47 VanDerWaalsContact C-N 3.31Å; H45-G47 WeakPolarHBondContact ND1-CA 3.47Å; H45-G47 PolarHBondContact ND1-N 3.41Å; H45-G47 VanDerWaalsContact ND1-N 3.2Å; H45-P60 CarbonylContact C-O 3.52Å; H45-K61 CarbonylContact O-C 3.04Å; H45-G62 PolarHBondContact O-N 3.18Å; H45-G63 PolarHBondContact N-O 3.4Å; H45-G63 WeakPolarHBondContact O-CA 3.38Å; H45-G63 PolarHBondContact O-N 3.14Å; H45-S64 WeakPolarHBondContact CE1-CA 3.43Å; H45-S64 PolarHBondContact CE1-N 3.36Å; H45-S64 VanDerWaalsContact NE2-CA 3.33Å; H45-S64 WeakPolarHBondContact NE2-CA 3.45Å; H45-F65 AromaticContact CE1-CD2 3.43Å; H45-F65 VanDerWaalsContact CE1-CD2 3.43Å; H45-F65 WeakPolarHBondContact CE1-CD2 3.41Å; H45-F65 AromaticContact CE1-CE2 3.36Å; H45-F65 WeakPolarHBondContact CE1-CE2 3.48Å; H45-F65 AromaticContact NE2-CD2 3.23Å; H45-F65 WeakPolarHBondContact NE2-CD2 3.22Å; H45-F65 AromaticContact NE2-CE2 3.56Å; H45-F65 PolarHBondContact NE2-N 3.16Å
46D95.8Very high94.7Very high56 Ų5665.3 Ų65.330%0.29935%0.345SS..SBendtrans-88.2-1.2179.961.6-2.7000113.4S48 T56 C57 P60D46-S48 VanDerWaalsContact OD1-CB 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.46Å; D46-S48 PolarHBondContact OD1-N 2.81Å; D46-S48 PolarHBondContact OD1-OG 3.44Å; D46-T56 CarbonylContact O-C 2.84Å; D46-C57 VanDerWaalsContact C-SG 3.55Å; D46-C57 PolarHBondContact O-N 3.46Å; D46-C57 PolarHBondContact O-SG 2.86Å; D46-P60 WeakPolarHBondContact CA-O 3.41Å; D46-P60 WeakPolarHBondContact CB-O 3.45Å; D46-P60 PolarHBondContact N-O 3.46Å
47G96Very high94.5Very high0 Ų066.3 Ų66.30%035%0.352CS..SBendtrans109.64.5-175.700000113.3H45 Y54 F55H45-G47 VanDerWaalsContact C-N 3.31Å; H45-G47 WeakPolarHBondContact ND1-CA 3.47Å; H45-G47 PolarHBondContact ND1-N 3.41Å; H45-G47 VanDerWaalsContact ND1-N 3.2Å; G47-Y54 PolarHBondContact O-N 3Å; G47-F55 CarbonylContact C-O 3.16Å; G47-F55 VanDerWaalsContact CA-O 3.24Å; G47-F55 WeakPolarHBondContact CA-O 3.08Å; G47-F55 PolarHBondContact O-N 2.87Å
48S95.8Very high94.2Very high33 Ų3371.9 Ų71.923%0.23137%0.373CS..EExtended strand (participates in β ladder)trans-90.2155.6165.265.80000113.2D46 V52D46-S48 VanDerWaalsContact OD1-CB 3.3Å; D46-S48 WeakPolarHBondContact OD1-CB 3.46Å; D46-S48 PolarHBondContact OD1-N 2.81Å; D46-S48 PolarHBondContact OD1-OG 3.44Å; S48-V52 CarbonylContact C-O 3.51Å; S48-V52 WeakPolarHBondContact CA-O 3.42Å; S48-V52 WeakPolarHBondContact CB-O 3.35Å
49H94.3Very high94.2Very high37 Ų3772.8 Ų72.817%0.17138%0.378CS..EExtended strand (participates in β ladder)trans-146.6131.2166.8-171.562.5000109.9V25 S26 Y28 G51 V52 Y54 F65V25-H49 HydrophobicContact CG1-CB 4.11Å; S26-H49 PolarHBondContact O-CD2 2.75Å; Y28-H49 AromaticContact CE2-CD2 3.96Å; Y28-H49 AromaticContact CE2-CE1 3.91Å; Y28-H49 AromaticContact CE2-NE2 3.23Å; Y28-H49 WeakPolarHBondContact CE2-NE2 3.32Å; H49-G51 VanDerWaalsContact C-N 3.26Å; H49-G51 PolarHBondContact O-N 3.14Å; H49-V52 PolarHBondContact N-O 3.4Å; H49-V52 PolarHBondContact O-N 2.89Å; H49-Y54 HydrophobicContact CB-CD2 4.48Å; H49-Y54 HydrophobicContact CB-CE2 4.02Å; H49-F65 HydrophobicContact CB-CD2 4.47Å; H49-F65 HydrophobicContact CB-CE2 3.79Å; H49-F65 HydrophobicContact CB-CZ 4.47Å
50E91.4Very high94.2Very high157 Ų15774.1 Ų74.173%0.73439%0.39SS*.THydrogen-bonded Turntrans49.143.6-179.8-63.8-63.9144.300113.6V52E50-V52 VanDerWaalsContact C-N 3.28Å; E50-V52 PolarHBondContact O-N 2.63Å
51G90.9Very high94.4Very high82 Ų8278.9 Ų78.985%0.84541%0.407SS*.THydrogen-bonded Turntrans79.3-0.8178.300000115.6H49H49-G51 VanDerWaalsContact C-N 3.26Å; H49-G51 PolarHBondContact O-N 3.14Å
52V95.2Very high94.5Very high73 Ų7371.3 Ų71.344%0.44237%0.372SS..EExtended strand (participates in β ladder)trans-101.9127.6175.9-178.30000110.2S48 H49 E50 Y54S48-V52 CarbonylContact C-O 3.51Å; S48-V52 WeakPolarHBondContact CA-O 3.42Å; S48-V52 WeakPolarHBondContact CB-O 3.35Å; H49-V52 PolarHBondContact N-O 3.4Å; H49-V52 PolarHBondContact O-N 2.89Å; E50-V52 VanDerWaalsContact C-N 3.28Å; E50-V52 PolarHBondContact O-N 2.63Å; V52-Y54 HydrophobicContact CB-CD2 4.45Å; V52-Y54 HydrophobicContact CB-CE2 3.75Å; V52-Y54 HydrophobicContact CG1-CD2 4.23Å; V52-Y54 HydrophobicContact CG1-CE1 4.29Å; V52-Y54 HydrophobicContact CG1-CE2 3.76Å; V52-Y54 WeakPolarHBondContact O-CD2 3.25Å; V52-Y54 WeakPolarHBondContact O-CE2 3.32Å
53Q96.4Very high94.6Very high99 Ų9964.9 Ų64.946%0.46335%0.347SS..EExtended strand (participates in β ladder)trans-86.8118174-163.376.237.700110.5F55 T56Q53-F55 PolarHBondContact NE2-O 3.42Å; Q53-T56 HydrophobicContact CG-CG2 4.49Å
54Y96.5Very high94.8Very high42 Ų4264.6 Ų64.617%0.16534%0.343CS..  trans-99.3-37.1178.3-65.2-94.1000112.3Y21 H24 V25 S26 G47 H49 V52 F65Y21-Y54 HydrophobicContact CD1-CD1 4.45Å; Y21-Y54 AromaticContact CE1-CD1 3.86Å; Y21-Y54 HydrophobicContact CE1-CD1 3.86Å; Y21-Y54 HydrophobicContact CE2-CD1 4.07Å; Y21-Y54 AromaticContact CZ-CD1 3.66Å; H24-Y54 WeakPolarHBondContact O-CE1 3.38Å; V25-Y54 HydrophobicContact CB-CE1 4.5Å; V25-Y54 HydrophobicContact CG1-CE2 4.04Å; V25-Y54 HydrophobicContact CG2-CE1 4.35Å; S26-Y54 PolarHBondContact N-OH 3.4Å; G47-Y54 PolarHBondContact O-N 3Å; H49-Y54 HydrophobicContact CB-CD2 4.48Å; H49-Y54 HydrophobicContact CB-CE2 4.02Å; V52-Y54 HydrophobicContact CB-CD2 4.45Å; V52-Y54 HydrophobicContact CB-CE2 3.75Å; V52-Y54 HydrophobicContact CG1-CD2 4.23Å; V52-Y54 HydrophobicContact CG1-CE1 4.29Å; V52-Y54 HydrophobicContact CG1-CE2 3.76Å; V52-Y54 WeakPolarHBondContact O-CD2 3.25Å; V52-Y54 WeakPolarHBondContact O-CE2 3.32Å; Y54-F65 HydrophobicContact CD2-CE1 4.37Å; Y54-F65 HydrophobicContact CD2-CE2 4.46Å; Y54-F65 AromaticContact CD2-CZ 3.63Å; Y54-F65 HydrophobicContact CD2-CZ 3.63Å; Y54-F65 HydrophobicContact CE2-CZ 4.35Å; Y54-F65 HydrophobicContact CG-CE1 4.2Å; Y54-F65 AromaticContact CG-CZ 3.87Å; Y54-F65 HydrophobicContact CG-CZ 3.87Å
55F96.5Very high94.8Very high15 Ų1558.1 Ų58.17%0.06632%0.315CS..  trans-155.6169.217661.3-79000109.3R20 Y21 G47 Q53 C57 F65R20-F55 HydrophobicContact CB-CB 3.79Å; R20-F55 HydrophobicContact CB-CD2 3.36Å; R20-F55 HydrophobicContact CB-CE2 4Å; R20-F55 HydrophobicContact CB-CG 3.68Å; R20-F55 HydrophobicContact CG-CD2 3.87Å; R20-F55 HydrophobicContact CG-CE2 4.3Å; Y21-F55 HydrophobicContact CG-CD1 4.48Å; G47-F55 CarbonylContact C-O 3.16Å; G47-F55 VanDerWaalsContact CA-O 3.24Å; G47-F55 WeakPolarHBondContact CA-O 3.08Å; G47-F55 PolarHBondContact O-N 2.87Å; Q53-F55 PolarHBondContact NE2-O 3.42Å; F55-C57 WeakPolarHBondContact CE2-SG 3.23Å; F55-F65 HydrophobicContact CD1-CE1 4.25Å; F55-F65 HydrophobicContact CD1-CZ 4.3Å; F55-F65 HydrophobicContact CE1-CD1 4.3Å; F55-F65 AromaticContact CE1-CE1 3.63Å; F55-F65 HydrophobicContact CE1-CE1 3.63Å; F55-F65 HydrophobicContact CE1-CE2 4.36Å; F55-F65 AromaticContact CE1-CZ 3.66Å; F55-F65 HydrophobicContact CE1-CZ 3.66Å
56T95.8Very high94.9Very high106 Ų10657.3 Ų57.365%0.6531%0.313SS*.  trans-112.8148.2175.9520000111.1D46 Q53D46-T56 CarbonylContact O-C 2.84Å; Q53-T56 HydrophobicContact CG-CG2 4.49Å
57C93.9Very high94.8Very high25 Ų2558.3 Ų58.317%0.16931%0.312CS..  trans-115.2153.4175.3-590000110.4E36 D46 F55 N59 G63E36-C57 HydrophobicContact CG-CB 4.27Å; D46-C57 VanDerWaalsContact C-SG 3.55Å; D46-C57 PolarHBondContact O-N 3.46Å; D46-C57 PolarHBondContact O-SG 2.86Å; F55-C57 WeakPolarHBondContact CE2-SG 3.23Å; C57-N59 VanDerWaalsContact C-N 3.26Å; C57-N59 VanDerWaalsContact CB-O 3.24Å; C57-N59 WeakPolarHBondContact CB-O 3.4Å; C57-N59 PolarHBondContact O-N 3.47Å; C57-G63 WeakPolarHBondContact SG-CA 3.02Å
58R90.3Very high94.7Very high125 Ų12560 Ų6047%0.47232%0.323SS..SBendtrans-63.9-34.3170.3-72.2176.9-79.8-162.8-13.2112.1E36 R178 D204E36-R58 VanDerWaalsContact OE1-CB 3.3Å; E36-R58 WeakPolarHBondContact OE1-CB 3.37Å; E36-R58 WeakPolarHBondContact OE1-CG 3.43Å; E36-R58 PolarHBondContact OE1-N 3.09Å; E36-R58 IonicContact OE1-NE 3.61Å; E36-R58 PolarHBondContact OE1-NE 3.43Å; E36-R58 IonicContact OE2-CZ 3.68Å; E36-R58 IonicContact OE2-NE 2.75Å; E36-R58 IonicContact OE2-NH2 3.71Å; E36-R58 PolarHBondContact OE2-NH2 2.86Å; R58-R178 VanDerWaalsContact NH2-NH1 3.17Å; R58-D204 IonicContact CZ-OD2 3.99Å; R58-D204 IonicContact NH1-OD2 3.08Å; R58-D204 PolarHBondContact NH1-OD2 2.87Å
59N92.5Very high94.6Very high56 Ų5666.2 Ų66.230%0.29935%0.349SS..SBendtrans-110.3135.6177.1-172.5-62.9000110.2P40 C57 K61 G62P40-N59 HydrophobicContact CB-CB 3.72Å; P40-N59 WeakPolarHBondContact CB-ND2 3.3Å; C57-N59 VanDerWaalsContact C-N 3.26Å; C57-N59 VanDerWaalsContact CB-O 3.24Å; C57-N59 WeakPolarHBondContact CB-O 3.4Å; C57-N59 PolarHBondContact O-N 3.47Å; N59-K61 PolarHBondContact O-N 2.72Å; N59-K61 PolarHBondContact OD1-N 3.23Å; N59-G62 PolarHBondContact O-N 3.19Å
60P93.3Very high94.6Very high99 Ų9972 Ų7264%0.64337%0.373SS*.THydrogen-bonded Turntrans-57.9-17.5179-26.134.6000115.6H45 D46H45-P60 CarbonylContact C-O 3.52Å; D46-P60 WeakPolarHBondContact CA-O 3.41Å; D46-P60 WeakPolarHBondContact CB-O 3.45Å; D46-P60 PolarHBondContact N-O 3.46Å
61K94.6Very high94.8Very high142 Ų14265.3 Ų65.362%0.61735%0.345SS*.THydrogen-bonded Turntrans-116.45.7174.9-63.7-175.7-179.3178.80112.7G43 K44 H45 N59 G63G43-K61 CarbonylContact C-O 3.35Å; G43-K61 WeakPolarHBondContact CA-O 3.29Å; K44-K61 PolarHBondContact N-O 2.77Å; H45-K61 CarbonylContact O-C 3.04Å; N59-K61 PolarHBondContact O-N 2.72Å; N59-K61 PolarHBondContact OD1-N 3.23Å; K61-G63 VanDerWaalsContact C-N 3.28Å; K61-G63 PolarHBondContact O-N 3.49Å
62G95.3Very high95Very high1 Ų164 Ų641%0.0132%0.322CS..  trans-75.2-11.8-172.400000115.3W37 H45 N59W37-G62 VanDerWaalsContact CD1-O 3.27Å; W37-G62 PolarHBondContact N-O 3.22Å; H45-G62 PolarHBondContact O-N 3.18Å; N59-G62 PolarHBondContact O-N 3.19Å
63G97.3Very high95Very high0 Ų063.1 Ų63.10%031%0.313CS..EExtended strand (participates in β ladder)trans-92.4152.8-174.300000114.4V35 G43 K44 H45 C57 K61V35-G63 CarbonylContact O-C 3.48Å; V35-G63 VanDerWaalsContact O-CA 3.27Å; V35-G63 WeakPolarHBondContact O-CA 3.47Å; G43-G63 WeakPolarHBondContact CA-O 3.27Å; K44-G63 PolarHBondContact N-O 3.03Å; H45-G63 PolarHBondContact N-O 3.4Å; H45-G63 WeakPolarHBondContact O-CA 3.38Å; H45-G63 PolarHBondContact O-N 3.14Å; C57-G63 WeakPolarHBondContact SG-CA 3.02Å; K61-G63 VanDerWaalsContact C-N 3.28Å; K61-G63 PolarHBondContact O-N 3.49Å
64S97.5Very high95Very high7 Ų759.3 Ų59.35%0.04930%0.301CS..EExtended strand (participates in β ladder)trans-150155.3167.4-70.90000111.6V35 W37 H45V35-S64 PolarHBondContact N-O 3.03Å; V35-S64 PolarHBondContact O-N 2.76Å; W37-S64 VanDerWaalsContact NE1-CB 3.27Å; W37-S64 PolarHBondContact NE1-OG 2.93Å; H45-S64 WeakPolarHBondContact CE1-CA 3.43Å; H45-S64 PolarHBondContact CE1-N 3.36Å; H45-S64 VanDerWaalsContact NE2-CA 3.33Å; H45-S64 WeakPolarHBondContact NE2-CA 3.45Å
65F96.9Very high95Very high32 Ų3259.7 Ų59.714%0.1431%0.307CS..EExtended strand (participates in β ladder)trans-96.6124.4162.9-64.7-78000110.3Y21 V25 W32 L33 H45 H49 Y54 F55Y21-F65 HydrophobicContact CD1-CE1 4.13Å; V25-F65 HydrophobicContact CB-CD1 4.5Å; V25-F65 HydrophobicContact CG1-CD1 4.42Å; V25-F65 HydrophobicContact CG1-CD2 4.29Å; V25-F65 HydrophobicContact CG1-CE1 4.29Å; V25-F65 HydrophobicContact CG1-CE2 4.23Å; V25-F65 HydrophobicContact CG1-CG 4.39Å; V25-F65 HydrophobicContact CG1-CZ 4.2Å; V25-F65 HydrophobicContact CG2-CD1 3.43Å; V25-F65 VanDerWaalsContact CG2-CD1 3.43Å; V25-F65 HydrophobicContact CG2-CE1 3.41Å; V25-F65 VanDerWaalsContact CG2-CE1 3.41Å; V25-F65 HydrophobicContact CG2-CG 4.09Å; V25-F65 HydrophobicContact CG2-CZ 4.12Å; W32-F65 HydrophobicContact CB-CD1 4.42Å; W32-F65 HydrophobicContact CD2-CB 4.36Å; W32-F65 HydrophobicContact CE3-CB 3.71Å; W32-F65 HydrophobicContact CZ3-CB 4.18Å; L33-F65 CarbonylContact O-C 3.58Å; L33-F65 WeakPolarHBondContact O-CA 3.29Å; H45-F65 AromaticContact CE1-CD2 3.43Å; H45-F65 VanDerWaalsContact CE1-CD2 3.43Å; H45-F65 WeakPolarHBondContact CE1-CD2 3.41Å; H45-F65 AromaticContact CE1-CE2 3.36Å; H45-F65 WeakPolarHBondContact CE1-CE2 3.48Å; H45-F65 AromaticContact NE2-CD2 3.23Å; H45-F65 WeakPolarHBondContact NE2-CD2 3.22Å; H45-F65 AromaticContact NE2-CE2 3.56Å; H45-F65 PolarHBondContact NE2-N 3.16Å; H49-F65 HydrophobicContact CB-CD2 4.47Å; H49-F65 HydrophobicContact CB-CE2 3.79Å; H49-F65 HydrophobicContact CB-CZ 4.47Å; Y54-F65 HydrophobicContact CD2-CE1 4.37Å; Y54-F65 HydrophobicContact CD2-CE2 4.46Å; Y54-F65 AromaticContact CD2-CZ 3.63Å; Y54-F65 HydrophobicContact CD2-CZ 3.63Å; Y54-F65 HydrophobicContact CE2-CZ 4.35Å; Y54-F65 HydrophobicContact CG-CE1 4.2Å; Y54-F65 AromaticContact CG-CZ 3.87Å; Y54-F65 HydrophobicContact CG-CZ 3.87Å; F55-F65 HydrophobicContact CD1-CE1 4.25Å; F55-F65 HydrophobicContact CD1-CZ 4.3Å; F55-F65 HydrophobicContact CE1-CD1 4.3Å; F55-F65 AromaticContact CE1-CE1 3.63Å; F55-F65 HydrophobicContact CE1-CE1 3.63Å; F55-F65 HydrophobicContact CE1-CE2 4.36Å; F55-F65 AromaticContact CE1-CZ 3.66Å; F55-F65 HydrophobicContact CE1-CZ 3.66Å
66V96.3Very high95Very high17 Ų1761.2 Ų61.210%0.10332%0.316CS..EExtended strand (participates in β ladder)trans-121.7142-176.6-178.40000109.8L33 V35 W37 K70L33-V66 PolarHBondContact N-O 3.12Å; L33-V66 PolarHBondContact O-N 2.98Å; V35-V66 HydrophobicContact CG2-CG2 3.74Å; W37-V66 HydrophobicContact CH2-CG2 4.34Å; W37-V66 HydrophobicContact CZ2-CG2 3.88Å; V66-K70 HydrophobicContact CG1-CB 3.97Å
67R94.8Very high95.1Very high76 Ų7656.2 Ų56.229%0.28729%0.285SS..  trans-72133.3173.1-70.1-61.9-167.9178.41.9109.6E29 L31 W32 Q69 K70E29-R67 PolarHBondContact O-NH1 3.46Å; E29-R67 PolarHBondContact O-NH2 2.92Å; L31-R67 PolarHBondContact O-NH1 2.9Å; W32-R67 VanDerWaalsContact CE2-NH1 3.33Å; W32-R67 HydrophobicContact CE3-CG 4.39Å; W32-R67 HydrophobicContact CH2-CG 4.31Å; W32-R67 VanDerWaalsContact CZ2-NE 3.3Å; W32-R67 HydrophobicContact CZ3-CG 4.05Å; W32-R67 VanDerWaalsContact NE1-NH1 3.17Å; R67-Q69 PolarHBondContact O-N 3.06Å; R67-K70 HydrophobicContact CB-CG 4.44Å; R67-K70 WeakPolarHBondContact O-CB 3.25Å; R67-K70 PolarHBondContact O-N 3.41Å
68P94.1Very high95.2Very high36 Ų3655.7 Ų55.723%0.23428%0.281CS..G310 helixtrans-50.1-35.9-178.7-28.833.4000114.4L31 L33 K70 A71L31-P68 HydrophobicContact CB-CG 4.38Å; L31-P68 HydrophobicContact CD2-CG 4.12Å; L31-P68 HydrophobicContact CG-CG 4.27Å; L31-P68 WeakPolarHBondContact O-CD 3.32Å; L33-P68 HydrophobicContact CD1-CB 4.44Å; L33-P68 HydrophobicContact CD2-CG 4.46Å; L33-P68 HydrophobicContact CG-CG 4.14Å; P68-K70 PolarHBondContact O-N 3.27Å; P68-A71 PolarHBondContact O-N 3.41Å; P68-A71 VanDerWaalsContact O-N 3.09Å
69Q93.5Very high95.4Very high163 Ų16352.1 Ų52.176%0.76227%0.273SS*.G310 helixtrans-67.3-16.6-179.9-57.4813.800114R67R67-Q69 PolarHBondContact O-N 3.06Å
70K93.7Very high95.5Very high159 Ų15949.6 Ų49.669%0.69126%0.26SS*.G310 helixtrans-93.7-6.7176.9-64.7-173.1175.7-176.20112.7C12 V66 R67 P68C12-K70 PolarHBondContact SG-O 2.71Å; V66-K70 HydrophobicContact CG1-CB 3.97Å; R67-K70 HydrophobicContact CB-CG 4.44Å; R67-K70 WeakPolarHBondContact O-CB 3.25Å; R67-K70 PolarHBondContact O-N 3.41Å; P68-K70 PolarHBondContact O-N 3.27Å
71A95.4Very high95.4Very high16 Ų1644.9 Ų44.913%0.13223%0.229CC..  trans-104.5130.4-179.400000110.1I10 S11 L33 P68I10-A71 HydrophobicContact CB-CB 4.28Å; I10-A71 HydrophobicContact CD1-CB 3.63Å; I10-A71 HydrophobicContact CG2-CB 4.35Å; S11-A71 WeakPolarHBondContact O-CA 3.44Å; L33-A71 HydrophobicContact CD1-CB 3.86Å; P68-A71 PolarHBondContact O-N 3.41Å; P68-A71 VanDerWaalsContact O-N 3.09Å
72S96.2Very high95.2Very high54 Ų5442.1 Ų42.138%0.37822%0.216SC..BIsolated β-bridgetrans-99.1133.8167.8173.70000109.1I10 S11 G74I10-S72 CarbonylContact C-O 3.59Å; I10-S72 WeakPolarHBondContact CA-O 3.46Å; I10-S72 WeakPolarHBondContact CB-O 3.3Å; S11-S72 PolarHBondContact N-O 2.61Å; S11-S72 PolarHBondContact O-N 2.85Å; S11-S72 WeakPolarHBondContact OG-CB 3.18Å; S72-G74 VanDerWaalsContact C-N 3.26Å; S72-G74 PolarHBondContact OG-N 3.45Å; S72-G74 VanDerWaalsContact OG-N 3.09Å
73F95Very high95Very high55 Ų5547 Ų4724%0.24124%0.241CC..  trans-89.55171.3-75.5-89.9000112.2P5 R8 I10 V19 L33 N128P5-F73 HydrophobicContact CB-CE1 4.09Å; P5-F73 HydrophobicContact CB-CZ 3.99Å; R8-F73 HydrophobicContact CB-CD1 4.32Å; R8-F73 HydrophobicContact CB-CE1 4.14Å; I10-F73 HydrophobicContact CG2-CD1 3.64Å; I10-F73 HydrophobicContact CG2-CD2 4.25Å; I10-F73 HydrophobicContact CG2-CE1 3.46Å; I10-F73 VanDerWaalsContact CG2-CE1 3.46Å; I10-F73 HydrophobicContact CG2-CE2 4.09Å; I10-F73 HydrophobicContact CG2-CG 4.05Å; I10-F73 HydrophobicContact CG2-CZ 3.7Å; V19-F73 HydrophobicContact CG2-CE1 4.41Å; L33-F73 HydrophobicContact CD1-CZ 4.38Å; F73-N128 WeakPolarHBondContact O-CB 3.36Å; F73-N128 PolarHBondContact O-ND2 3.08Å
74G95.3Very high94.5Very high20 Ų2048 Ų4821%0.20625%0.247CC..  trans77.6-167179.300000114.6S72 D126 N128S72-G74 VanDerWaalsContact C-N 3.26Å; S72-G74 PolarHBondContact OG-N 3.45Å; S72-G74 VanDerWaalsContact OG-N 3.09Å; G74-D126 CarbonylContact C-O 3.55Å; G74-D126 WeakPolarHBondContact CA-O 3.22Å; G74-N128 PolarHBondContact O-ND2 3.23Å
75V96.4Very high93.8Very high50 Ų5048.8 Ų48.830%0.30325%0.249SC..EExtended strand (participates in β ladder)trans-129.2163.7-176.1-62.70000110.3T79 A80 D126 V127 N128V75-T79 HydrophobicContact CB-CG2 3.74Å; V75-T79 HydrophobicContact CG1-CG2 3.93Å; V75-T79 HydrophobicContact CG2-CG2 4.04Å; V75-A80 HydrophobicContact CG2-CB 3.99Å; V75-D126 PolarHBondContact N-O 3.22Å; V75-V127 CarbonylContact O-C 3.56Å; V75-V127 WeakPolarHBondContact O-CA 3.49Å; V75-N128 PolarHBondContact O-N 3.12Å; V75-N128 PolarHBondContact O-OD1 3.07Å; V75-N128 VanDerWaalsContact O-OD1 3.13Å
76D97.1Very high92.9Very high47 Ų4754.1 Ų54.125%0.25127%0.274SS..EExtended strand (participates in β ladder)trans-69.2164.6171.765.388.8000112L78 T79 A80 G129D76-L78 PolarHBondContact O-N 3.09Å; D76-L78 PolarHBondContact OD1-N 3Å; D76-L78 VanDerWaalsContact OD1-N 3.14Å; D76-T79 VanDerWaalsContact CG-OG1 3.29Å; D76-T79 PolarHBondContact O-N 3.2Å; D76-T79 PolarHBondContact OD1-N 3.34Å; D76-T79 PolarHBondContact OD1-OG1 3.37Å; D76-T79 WeakPolarHBondContact OD2-CB 3.27Å; D76-T79 PolarHBondContact OD2-OG1 2.87Å; D76-A80 PolarHBondContact O-N 3.43Å; D76-G129 CarbonylContact C-O 3.39Å; D76-G129 WeakPolarHBondContact CA-O 3.18Å
77F97.3Very high91.6Very high0 Ų058.2 Ų58.20%030%0.3CS..Hα-helixtrans-51-51.4-178.5173.2-95.1000113.5A80 V81 V120 L122 V127 G129 I136 L146 L148 I162F77-A80 WeakPolarHBondContact O-CB 3.46Å; F77-A80 PolarHBondContact O-N 2.69Å; F77-V81 HydrophobicContact CD1-CG2 4.24Å; F77-V81 HydrophobicContact CE1-CG2 3.76Å; F77-V81 HydrophobicContact CE2-CG2 4.15Å; F77-V81 HydrophobicContact CZ-CG2 3.71Å; F77-V81 WeakPolarHBondContact O-CG2 3.48Å; F77-V81 PolarHBondContact O-N 3.48Å; F77-V120 HydrophobicContact CE2-CG1 4.12Å; F77-V120 HydrophobicContact CZ-CG1 4.05Å; F77-L122 HydrophobicContact CD2-CD1 3.79Å; F77-L122 HydrophobicContact CE2-CD1 3.65Å; F77-V127 HydrophobicContact CB-CG1 4.28Å; F77-G129 PolarHBondContact N-O 3Å; F77-I136 HydrophobicContact CB-CD1 4.03Å; F77-I136 HydrophobicContact CD1-CB 4.49Å; F77-I136 HydrophobicContact CD1-CD1 3.63Å; F77-I136 HydrophobicContact CD1-CG1 3.75Å; F77-I136 HydrophobicContact CD1-CG2 4.09Å; F77-I136 HydrophobicContact CE1-CD1 4.38Å; F77-I136 HydrophobicContact CE1-CG1 4.35Å; F77-I136 HydrophobicContact CE1-CG2 3.83Å; F77-I136 HydrophobicContact CG-CD1 3.98Å; F77-L146 HydrophobicContact CE2-CD1 3.69Å; F77-L146 HydrophobicContact CE2-CD2 4.21Å; F77-L146 HydrophobicContact CZ-CD1 4.37Å; F77-L148 HydrophobicContact CD2-CD2 4.42Å; F77-I162 HydrophobicContact CB-CD1 4.26Å; F77-I162 HydrophobicContact CB-CG1 4.32Å; F77-I162 HydrophobicContact CD2-CD1 4.46Å; F77-I162 HydrophobicContact CD2-CG2 3.96Å; F77-I162 HydrophobicContact CE2-CG2 4.27Å; F77-I162 HydrophobicContact CG-CG2 4.23Å
78L95.6Very high90.1Very high14 Ų1458.6 Ų58.67%0.07331%0.307CS..Hα-helixtrans-70.1-39.5-175.2-72.8-179.7000111.3D76 A80 V81 Y82 E135 I136 T139 T140D76-L78 PolarHBondContact O-N 3.09Å; D76-L78 PolarHBondContact OD1-N 3Å; D76-L78 VanDerWaalsContact OD1-N 3.14Å; L78-A80 PolarHBondContact O-N 3.45Å; L78-V81 WeakPolarHBondContact O-CB 3.5Å; L78-V81 PolarHBondContact O-N 3.33Å; L78-V81 VanDerWaalsContact O-N 3.13Å; L78-Y82 HydrophobicContact CB-CD2 4.35Å; L78-Y82 HydrophobicContact CB-CE2 3.93Å; L78-Y82 WeakPolarHBondContact O-CD2 3.44Å; L78-Y82 PolarHBondContact O-N 3.08Å; L78-E135 HydrophobicContact CD1-CB 3.62Å; L78-I136 HydrophobicContact CD1-CG1 4.38Å; L78-I136 HydrophobicContact CD2-CG1 4.43Å; L78-I136 HydrophobicContact CG-CG1 4.08Å; L78-T139 HydrophobicContact CD2-CG2 3.97Å; L78-T140 HydrophobicContact CD2-CG2 4.48Å
79T95.3Very high88.6Confident51 Ų5158.6 Ų58.631%0.31331%0.311SS..Hα-helixtrans-55.3-42.8172.1-62.30000111.1V75 D76 Y82 L83V75-T79 HydrophobicContact CB-CG2 3.74Å; V75-T79 HydrophobicContact CG1-CG2 3.93Å; V75-T79 HydrophobicContact CG2-CG2 4.04Å; D76-T79 VanDerWaalsContact CG-OG1 3.29Å; D76-T79 PolarHBondContact O-N 3.2Å; D76-T79 PolarHBondContact OD1-N 3.34Å; D76-T79 PolarHBondContact OD1-OG1 3.37Å; D76-T79 WeakPolarHBondContact OD2-CB 3.27Å; D76-T79 PolarHBondContact OD2-OG1 2.87Å; T79-Y82 PolarHBondContact O-N 2.96Å; T79-L83 HydrophobicContact CG2-CD1 4.09Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.46Å; T79-L83 PolarHBondContact O-N 2.82Å
80A94.8Very high87.2Confident3 Ų358.7 Ų58.73%0.02531%0.311CS..Hα-helixtrans-64.8-43.7174.800000112.7V75 D76 F77 L78 Y82 L83 T84 L122 V127V75-A80 HydrophobicContact CG2-CB 3.99Å; D76-A80 PolarHBondContact O-N 3.43Å; F77-A80 WeakPolarHBondContact O-CB 3.46Å; F77-A80 PolarHBondContact O-N 2.69Å; L78-A80 PolarHBondContact O-N 3.45Å; A80-Y82 VanDerWaalsContact C-N 3.33Å; A80-Y82 PolarHBondContact O-N 3.32Å; A80-L83 PolarHBondContact O-N 3.03Å; A80-T84 WeakPolarHBondContact O-CB 3.23Å; A80-T84 PolarHBondContact O-N 3.5Å; A80-T84 PolarHBondContact O-OG1 3Å; A80-T84 VanDerWaalsContact O-OG1 3.08Å; A80-L122 HydrophobicContact CB-CD1 4.18Å; A80-L122 HydrophobicContact CB-CD2 4.21Å; A80-V127 HydrophobicContact CB-CG2 3.53Å
81V91.9Very high85.7Confident0 Ų057.6 Ų57.60%031%0.308CS..Hα-helixtrans-55.5-48.7174.1172.70000111F77 L78 L83 T84 Y85 F114 V120 L122F77-V81 HydrophobicContact CD1-CG2 4.24Å; F77-V81 HydrophobicContact CE1-CG2 3.76Å; F77-V81 HydrophobicContact CE2-CG2 4.15Å; F77-V81 HydrophobicContact CZ-CG2 3.71Å; F77-V81 WeakPolarHBondContact O-CG2 3.48Å; F77-V81 PolarHBondContact O-N 3.48Å; L78-V81 WeakPolarHBondContact O-CB 3.5Å; L78-V81 PolarHBondContact O-N 3.33Å; L78-V81 VanDerWaalsContact O-N 3.13Å; V81-L83 PolarHBondContact O-N 3.48Å; V81-T84 PolarHBondContact O-N 3.02Å; V81-Y85 HydrophobicContact CG1-CD2 4.18Å; V81-Y85 WeakPolarHBondContact O-CB 3.29Å; V81-Y85 WeakPolarHBondContact O-CD2 3.48Å; V81-Y85 PolarHBondContact O-N 3.44Å; V81-F114 HydrophobicContact CG1-CD1 3.77Å; V81-F114 HydrophobicContact CG1-CE1 3.84Å; V81-F114 HydrophobicContact CG1-CG 4.46Å; V81-V120 HydrophobicContact CG2-CG1 3.94Å; V81-L122 HydrophobicContact CG2-CD1 3.89Å; V81-L122 HydrophobicContact CG2-CD2 4.38Å
82Y90.4Very high84.2Confident84 Ų8457.8 Ų57.833%0.32931%0.308SS..Hα-helixtrans-60.3-46.8179-68.2-58.2000111.6L78 T79 A80 Q86 F114L78-Y82 HydrophobicContact CB-CD2 4.35Å; L78-Y82 HydrophobicContact CB-CE2 3.93Å; L78-Y82 WeakPolarHBondContact O-CD2 3.44Å; L78-Y82 PolarHBondContact O-N 3.08Å; T79-Y82 PolarHBondContact O-N 2.96Å; A80-Y82 VanDerWaalsContact C-N 3.33Å; A80-Y82 PolarHBondContact O-N 3.32Å; Y82-Q86 WeakPolarHBondContact O-CB 3.42Å; Y82-Q86 WeakPolarHBondContact O-CG 3.46Å; Y82-Q86 PolarHBondContact O-N 3.49Å; Y82-F114 HydrophobicContact CD1-CD2 4.2Å; Y82-F114 AromaticContact CD1-CE2 3.37Å; Y82-F114 HydrophobicContact CD1-CE2 3.37Å; Y82-F114 AromaticContact CD1-CZ 3.69Å; Y82-F114 HydrophobicContact CD1-CZ 3.69Å; Y82-F114 AromaticContact CE1-CD2 3.7Å; Y82-F114 HydrophobicContact CE1-CD2 3.7Å; Y82-F114 AromaticContact CE1-CE2 3.26Å; Y82-F114 HydrophobicContact CE1-CE2 3.26Å; Y82-F114 HydrophobicContact CE1-CZ 4.05Å
83L89.5Confident82.6Confident104 Ų10457.1 Ų57.155%0.54530%0.3SS..Hα-helixtrans-63.5-44.2-179.8-70.1172.1000112.3T79 A80 V81 T87T79-L83 HydrophobicContact CG2-CD1 4.09Å; T79-L83 VanDerWaalsContact O-CG 3.28Å; T79-L83 WeakPolarHBondContact O-CG 3.46Å; T79-L83 PolarHBondContact O-N 2.82Å; A80-L83 PolarHBondContact O-N 3.03Å; V81-L83 PolarHBondContact O-N 3.48Å; L83-T87 VanDerWaalsContact O-CB 3.27Å; L83-T87 WeakPolarHBondContact O-CB 3.22Å; L83-T87 PolarHBondContact O-N 3.11Å; L83-T87 PolarHBondContact O-OG1 3.1Å
84T87.5Confident81Confident20 Ų2060.3 Ų60.312%0.12332%0.319CS..Hα-helixtrans-69.3-50.7-176.7-62.30000111.5A80 V81 T87 N88 V92 L122 C125A80-T84 WeakPolarHBondContact O-CB 3.23Å; A80-T84 PolarHBondContact O-N 3.5Å; A80-T84 PolarHBondContact O-OG1 3Å; A80-T84 VanDerWaalsContact O-OG1 3.08Å; V81-T84 PolarHBondContact O-N 3.02Å; T84-T87 PolarHBondContact O-N 3.36Å; T84-N88 PolarHBondContact O-N 2.94Å; T84-V92 HydrophobicContact CG2-CG2 3.88Å; T84-L122 HydrophobicContact CG2-CD2 4.27Å; T84-C125 PolarHBondContact OG1-SG 2.91Å
85Y83.3Confident79.6Confident23 Ų2363.4 Ų63.49%0.0933%0.328CS..Hα-helixtrans-87.6-13.8-171.9-73.7-95.8000114.1V81 A89 V92 L117 V120 V121V81-Y85 HydrophobicContact CG1-CD2 4.18Å; V81-Y85 WeakPolarHBondContact O-CB 3.29Å; V81-Y85 WeakPolarHBondContact O-CD2 3.48Å; V81-Y85 PolarHBondContact O-N 3.44Å; Y85-A89 WeakPolarHBondContact O-CB 3.19Å; Y85-V92 HydrophobicContact CE1-CB 4.27Å; Y85-V92 HydrophobicContact CE1-CG1 3.66Å; Y85-V92 HydrophobicContact CE2-CG1 4.26Å; Y85-V92 VanDerWaalsContact CZ-CG1 3.47Å; Y85-V92 VanDerWaalsContact OH-CG1 3.25Å; Y85-V92 WeakPolarHBondContact OH-CG1 3.36Å; Y85-L117 HydrophobicContact CE1-CD1 4.41Å; Y85-L117 HydrophobicContact CE1-CD2 4.42Å; Y85-V120 HydrophobicContact CE2-CG1 4.42Å; Y85-V120 WeakPolarHBondContact OH-CA 3.28Å; Y85-V121 PolarHBondContact OH-N 2.82Å
86Q77.6Confident78Confident145 Ų14566.7 Ų66.768%0.67834%0.34SS*.Hα-helixtrans-82.8-26.7167.7-67.6179.44.100112.5Y82Y82-Q86 WeakPolarHBondContact O-CB 3.42Å; Y82-Q86 WeakPolarHBondContact O-CG 3.46Å; Y82-Q86 PolarHBondContact O-N 3.49Å
87T69.4Low76.6Confident103 Ų10365.8 Ų65.863%0.63234%0.335SS*.Hα-helixtrans-97.2-40.1-174.5-43.40000112.4L83 T84L83-T87 VanDerWaalsContact O-CB 3.27Å; L83-T87 WeakPolarHBondContact O-CB 3.22Å; L83-T87 PolarHBondContact O-N 3.11Å; L83-T87 PolarHBondContact O-OG1 3.1Å; T84-T87 PolarHBondContact O-N 3.36Å
88N62.5Low74.9Confident83 Ų8371.5 Ų71.544%0.44436%0.36SS..SBendtrans-130.336.6-167.5-62.3-17.1000112.8T84 E90 E91 V92T84-N88 PolarHBondContact O-N 2.94Å; N88-E90 VanDerWaalsContact C-N 3.35Å; N88-E90 PolarHBondContact O-N 3.48Å; N88-E91 PolarHBondContact O-N 3.38Å; N88-V92 PolarHBondContact O-N 3.21Å
89A62.9Low73.4Confident37 Ų3771 Ų7131%0.30636%0.358SS..Hα-helixtrans-55-43.1-171.800000114.2Y85 L93Y85-A89 WeakPolarHBondContact O-CB 3.19Å; A89-L93 VanDerWaalsContact O-CB 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.21Å; A89-L93 WeakPolarHBondContact O-CD1 3.46Å; A89-L93 WeakPolarHBondContact O-CG 3.27Å; A89-L93 PolarHBondContact O-N 3.33Å
90E63.5Low71.8Confident165 Ų16570.2 Ų70.277%0.77135%0.354SS*.Hα-helixtrans-70.2-32.5-174.1-68.3-178.7-17900113.5N88 N94N88-E90 VanDerWaalsContact C-N 3.35Å; N88-E90 PolarHBondContact O-N 3.48Å; E90-N94 PolarHBondContact O-ND2 2.9Å
91E63Low69.8Low136 Ų13673.4 Ų73.464%0.63638%0.376SS*.Hα-helixtrans-73.1-48.1-179.3-171172.5-16600110.4N88 L93 N94N88-E91 PolarHBondContact O-N 3.38Å; E91-L93 VanDerWaalsContact C-N 3.35Å; E91-L93 PolarHBondContact O-N 2.95Å; E91-N94 PolarHBondContact O-N 3.07Å
92V63.5Low68.4Low19 Ų1977.8 Ų77.812%0.11540%0.395CS..Hα-helixtrans-66.7-36.8-177.4179.90000112.3T84 Y85 N88 N94 E95 V121T84-V92 HydrophobicContact CG2-CG2 3.88Å; Y85-V92 HydrophobicContact CE1-CB 4.27Å; Y85-V92 HydrophobicContact CE1-CG1 3.66Å; Y85-V92 HydrophobicContact CE2-CG1 4.26Å; Y85-V92 VanDerWaalsContact CZ-CG1 3.47Å; Y85-V92 VanDerWaalsContact OH-CG1 3.25Å; Y85-V92 WeakPolarHBondContact OH-CG1 3.36Å; N88-V92 PolarHBondContact O-N 3.21Å; V92-N94 PolarHBondContact O-N 3.45Å; V92-E95 PolarHBondContact O-N 3.48Å; V92-V121 HydrophobicContact CG1-CB 3.9Å; V92-V121 HydrophobicContact CG1-CG2 4.42Å
93L63.8Low67.3Low40 Ų4078.6 Ų78.621%0.20940%0.401CS..Hα-helixtrans-65-25.9178.5-77.7175.1000112.2A89 E91 V108 V109A89-L93 VanDerWaalsContact O-CB 3.31Å; A89-L93 WeakPolarHBondContact O-CB 3.21Å; A89-L93 WeakPolarHBondContact O-CD1 3.46Å; A89-L93 WeakPolarHBondContact O-CG 3.27Å; A89-L93 PolarHBondContact O-N 3.33Å; E91-L93 VanDerWaalsContact C-N 3.35Å; E91-L93 PolarHBondContact O-N 2.95Å; L93-V108 HydrophobicContact CB-CG1 3.54Å; L93-V108 HydrophobicContact CD2-CG1 3.91Å; L93-V108 HydrophobicContact CG-CG1 4.21Å; L93-V108 WeakPolarHBondContact O-CG1 3.4Å; L93-V108 WeakPolarHBondContact O-CG2 3.22Å; L93-V109 WeakPolarHBondContact CD2-O 3.27Å
94N61.5Low66.1Low123 Ų12375.4 Ų75.466%0.65838%0.384SS*.THydrogen-bonded Turntrans-95.31.7-178.2-71.4-48.1000114.4E90 E91 V92 E96E90-N94 PolarHBondContact O-ND2 2.9Å; E91-N94 PolarHBondContact O-N 3.07Å; V92-N94 PolarHBondContact O-N 3.45Å; N94-E96 PolarHBondContact O-N 2.8Å
95E63.9Low64.5Low84 Ų8483.1 Ų83.139%0.39342%0.418SS..PPolyproline II helixtrans-71.9124.9-177.8-74-167.4161.800112.3V92 V121V92-E95 PolarHBondContact O-N 3.48Å; E95-V121 WeakPolarHBondContact OE2-CG1 3.21Å
96E64.4Low63.3Low119 Ų11985.6 Ų85.656%0.55643%0.428SS*.PPolyproline II helixtrans-78.1125.7171.7-62.7-164.3165.300110.6N94 F98 K103N94-E96 PolarHBondContact O-N 2.8Å; E96-F98 HydrophobicContact CB-CD2 4.27Å; E96-F98 HydrophobicContact CB-CE2 3.54Å; E96-F98 HydrophobicContact CB-CZ 4.25Å; E96-F98 VanDerWaalsContact OE2-CZ 3.3Å; E96-F98 WeakPolarHBondContact OE2-CZ 3.23Å; E96-K103 IonicContact OE1-NZ 3.72Å; E96-K103 PolarHBondContact OE1-NZ 3.29Å; E96-K103 WeakPolarHBondContact OE2-CE 3.43Å; E96-K103 IonicContact OE2-NZ 3.8Å; E96-K103 PolarHBondContact OE2-NZ 3.47Å
97I66.9Low61.8Low28 Ų2887.5 Ų87.514%0.14443%0.434CS..PPolyproline II helixtrans-101122.5-176.3-50.6-178.7000109.4L104 V121 W145I97-L104 HydrophobicContact CB-CB 4.36Å; I97-L104 HydrophobicContact CB-CD1 4.33Å; I97-L104 HydrophobicContact CG2-CD1 3.76Å; I97-L104 PolarHBondContact O-N 3Å; I97-V121 HydrophobicContact CD1-CG2 4.2Å; I97-W145 VanDerWaalsContact CD1-CD1 3.48Å; I97-W145 HydrophobicContact CD1-CG 4.16Å; I97-W145 HydrophobicContact CG2-CD2 4.24Å; I97-W145 HydrophobicContact CG2-CH2 3.94Å; I97-W145 HydrophobicContact CG2-CZ2 3.22Å
98F61.8Low60.7Low120 Ų12086.2 Ų86.253%0.52643%0.426SS..EExtended strand (participates in β ladder)trans-119.1132177-65.4-92.2000110E96 K103E96-F98 HydrophobicContact CB-CD2 4.27Å; E96-F98 HydrophobicContact CB-CE2 3.54Å; E96-F98 HydrophobicContact CB-CZ 4.25Å; E96-F98 VanDerWaalsContact OE2-CZ 3.3Å; E96-F98 WeakPolarHBondContact OE2-CZ 3.23Å; F98-K103 HydrophobicContact CD1-CB 4Å; F98-K103 HydrophobicContact CD1-CG 4.41Å; F98-K103 HydrophobicContact CE1-CB 3.68Å; F98-K103 HydrophobicContact CE1-CD 4.09Å; F98-K103 HydrophobicContact CE1-CG 3.89Å; F98-K103 HydrophobicContact CZ-CB 4.42Å; F98-K103 HydrophobicContact CZ-CD 4.06Å; F98-K103 HydrophobicContact CZ-CG 4.14Å
99I63.3Low60.1Low4 Ų484 Ų842%0.02142%0.416CS..EExtended strand (participates in β ladder)trans-128.5133.2160.4-79.1-160.8000110.3S101 K102 W145 Q173 L197 A199I99-S101 PolarHBondContact O-N 2.93Å; I99-K102 PolarHBondContact N-O 2.93Å; I99-K102 PolarHBondContact O-N 3.27Å; I99-W145 HydrophobicContact CB-CH2 4.19Å; I99-W145 HydrophobicContact CD1-CH2 3.26Å; I99-W145 HydrophobicContact CD1-CZ2 3.74Å; I99-W145 HydrophobicContact CD1-CZ3 4.26Å; I99-W145 HydrophobicContact CG1-CH2 3.52Å; I99-W145 HydrophobicContact CG1-CZ2 4.02Å; I99-Q173 HydrophobicContact CD1-CB 4.13Å; I99-L197 HydrophobicContact CB-CD1 3.97Å; I99-L197 HydrophobicContact CB-CD2 3.79Å; I99-L197 HydrophobicContact CB-CG 4.27Å; I99-L197 HydrophobicContact CD1-CD2 3.18Å; I99-L197 HydrophobicContact CD1-CG 4.46Å; I99-L197 HydrophobicContact CG1-CD2 3.89Å; I99-L197 HydrophobicContact CG2-CD1 3.86Å; I99-L197 HydrophobicContact CG2-CD2 3.56Å; I99-L197 HydrophobicContact CG2-CG 3.79Å; I99-A199 HydrophobicContact CD1-CB 3.33Å; I99-A199 HydrophobicContact CG1-CB 4.26Å
100S63.3Low59.5Low34 Ų3491.1 Ų91.124%0.23844%0.442CS..THydrogen-bonded Turntrans61.8-93.6-179.4176.60000111.2S245 W269S100-S245 PolarHBondContact OG-OG 2.72Å; S100-W269 WeakPolarHBondContact OG-CH2 3.34Å; S100-W269 WeakPolarHBondContact OG-CZ3 3.49Å
101S52.6Low59Low70 Ų7088.1 Ų88.149%0.4943%0.428SS..THydrogen-bonded Turntrans-132.32.4175.654.40000113.3I99 W269I99-S101 PolarHBondContact O-N 2.93Å; S101-W269 PolarHBondContact OG-NE1 2.91Å
102K61.2Low58.8Low93 Ų9391.6 Ų91.640%0.40444%0.441SS..EExtended strand (participates in β ladder)trans-98.9119.9-177.7-67.7175.8-176.7161.90109.1I99 D222I99-K102 PolarHBondContact N-O 2.93Å; I99-K102 PolarHBondContact O-N 3.27Å; K102-D222 WeakPolarHBondContact CE-OD1 3.44Å; K102-D222 VanDerWaalsContact NZ-CG 3.28Å; K102-D222 IonicContact NZ-OD1 3.99Å; K102-D222 PolarHBondContact NZ-OD1 2.96Å; K102-D222 IonicContact NZ-OD2 3.19Å; K102-D222 PolarHBondContact NZ-OD2 2.95Å
103K68Low59.5Low101 Ų10198.8 Ų98.844%0.43947%0.466SS..EExtended strand (participates in β ladder)trans-70129.3158.6-175171.5177.51640107.4E96 F98 E105E96-K103 IonicContact OE1-NZ 3.72Å; E96-K103 PolarHBondContact OE1-NZ 3.29Å; E96-K103 WeakPolarHBondContact OE2-CE 3.43Å; E96-K103 IonicContact OE2-NZ 3.8Å; E96-K103 PolarHBondContact OE2-NZ 3.47Å; F98-K103 HydrophobicContact CD1-CB 4Å; F98-K103 HydrophobicContact CD1-CG 4.41Å; F98-K103 HydrophobicContact CE1-CB 3.68Å; F98-K103 HydrophobicContact CE1-CD 4.09Å; F98-K103 HydrophobicContact CE1-CG 3.89Å; F98-K103 HydrophobicContact CZ-CB 4.42Å; F98-K103 HydrophobicContact CZ-CD 4.06Å; F98-K103 HydrophobicContact CZ-CG 4.14Å; K103-E105 PolarHBondContact O-N 3.19Å
104L64.4Low60.4Low37 Ų3798.7 Ų98.719%0.19446%0.464CS..  trans-86.1112.6177.9-77.6168.6000108.5I97 W106 W145 L197I97-L104 HydrophobicContact CB-CB 4.36Å; I97-L104 HydrophobicContact CB-CD1 4.33Å; I97-L104 HydrophobicContact CG2-CD1 3.76Å; I97-L104 PolarHBondContact O-N 3Å; L104-W106 PolarHBondContact O-N 3.26Å; L104-W145 HydrophobicContact CD1-CD2 4.07Å; L104-W145 HydrophobicContact CD1-CE3 3.58Å; L104-W145 HydrophobicContact CD1-CH2 3.2Å; L104-W145 HydrophobicContact CD1-CZ2 3.89Å; L104-W145 HydrophobicContact CD1-CZ3 3.13Å; L104-W145 HydrophobicContact CG-CZ3 4.49Å; L104-L197 HydrophobicContact CD2-CD1 4.42Å
105E53.6Low61.7Low181 Ų18197.9 Ų97.985%0.84646%0.456SS*.  trans-83.694.2176.6-67.1-173.1175.900109.8K103K103-E105 PolarHBondContact O-N 3.19Å
106W58.2Low62.7Low76 Ų7696.9 Ų96.929%0.28845%0.454SS..  trans-124.6140.9174.3-60.273.7000109.3L104 V108 P118 Q144L104-W106 PolarHBondContact O-N 3.26Å; W106-V108 PolarHBondContact O-N 3.36Å; W106-P118 HydrophobicContact CE3-CB 3.95Å; W106-P118 HydrophobicContact CZ3-CB 4.43Å; W106-Q144 HydrophobicContact CE3-CB 4.47Å; W106-Q144 HydrophobicContact CH2-CB 3.31Å; W106-Q144 HydrophobicContact CH2-CG 4.05Å; W106-Q144 VanDerWaalsContact CH2-OE1 3.26Å; W106-Q144 HydrophobicContact CZ2-CB 4.34Å; W106-Q144 HydrophobicContact CZ3-CB 3.4Å; W106-Q144 HydrophobicContact CZ3-CG 3.96Å
107F46.2Very low63.7Low185 Ų18591.7 Ų91.781%0.81143%0.43SS*.  trans-70.1122.8174.3-61.2-80.5000109.1V109F107-V109 PolarHBondContact O-N 2.91Å
108V47.3Very low64.7Low76 Ų7691.1 Ų91.146%0.46143%0.428SS..  trans-62.4113.4163.5-179.90000107L93 W106L93-V108 HydrophobicContact CB-CG1 3.54Å; L93-V108 HydrophobicContact CD2-CG1 3.91Å; L93-V108 HydrophobicContact CG-CG1 4.21Å; L93-V108 WeakPolarHBondContact O-CG1 3.4Å; L93-V108 WeakPolarHBondContact O-CG2 3.22Å; W106-V108 PolarHBondContact O-N 3.36Å
109V49.1Very low66Low37 Ų3786.7 Ų86.722%0.22441%0.412CS..  trans-86.2115.9177.3-178.40000107.6L93 F107 E111 N116 P118L93-V109 WeakPolarHBondContact CD2-O 3.27Å; F107-V109 PolarHBondContact O-N 2.91Å; V109-E111 HydrophobicContact CG1-CB 3.75Å; V109-E111 HydrophobicContact CG1-CG 3.89Å; V109-E111 PolarHBondContact O-N 3.43Å; V109-N116 HydrophobicContact CG1-CB 4.33Å; V109-P118 HydrophobicContact CG2-CG 4.02Å
110E50.8Low67.4Low185 Ų18586.5 Ų86.586%0.86441%0.411SS*.  trans-67.54.8177.3-66.9-176.3160.900113.8
111E52.9Low68.8Low103 Ų10385.1 Ų85.148%0.48140%0.401SS..  trans-91.4135.9-169.7-65.3-164161.200114.4V109 R113 N116V109-E111 HydrophobicContact CG1-CB 3.75Å; V109-E111 HydrophobicContact CG1-CG 3.89Å; V109-E111 PolarHBondContact O-N 3.43Å; E111-R113 PolarHBondContact O-N 2.8Å; E111-N116 PolarHBondContact OE2-ND2 2.83Å
112K59.2Low70.7Confident208 Ų20881.8 Ų81.890%0.90438%0.378SS*.SBendtrans-73.111.1177.5-62.3-178.4177.1-179.20114.7
113R77.1Confident72.2Confident171 Ų17180.1 Ų80.165%0.64537%0.373SS*.  trans-109.6117.1-176.3-66.9-173.6-177.2-172.53.2110E111 E115 N116E111-R113 PolarHBondContact O-N 2.8Å; R113-E115 PolarHBondContact O-N 3.29Å; R113-E115 VanDerWaalsContact O-N 3.07Å; R113-N116 PolarHBondContact O-N 2.96Å
114F83.8Confident73.3Confident38 Ų3880.1 Ų80.117%0.16738%0.375CS..G310 helixtrans-56.1-27.4179.9-59.7-55.7000113.6V81 Y82 N116 L117 T139 T140V81-F114 HydrophobicContact CG1-CD1 3.77Å; V81-F114 HydrophobicContact CG1-CE1 3.84Å; V81-F114 HydrophobicContact CG1-CG 4.46Å; Y82-F114 HydrophobicContact CD1-CD2 4.2Å; Y82-F114 AromaticContact CD1-CE2 3.37Å; Y82-F114 HydrophobicContact CD1-CE2 3.37Å; Y82-F114 AromaticContact CD1-CZ 3.69Å; Y82-F114 HydrophobicContact CD1-CZ 3.69Å; Y82-F114 AromaticContact CE1-CD2 3.7Å; Y82-F114 HydrophobicContact CE1-CD2 3.7Å; Y82-F114 AromaticContact CE1-CE2 3.26Å; Y82-F114 HydrophobicContact CE1-CE2 3.26Å; Y82-F114 HydrophobicContact CE1-CZ 4.05Å; F114-N116 PolarHBondContact O-N 3.31Å; F114-L117 HydrophobicContact CD1-CD1 3.8Å; F114-L117 PolarHBondContact O-N 2.95Å; F114-T139 CarbonylContact C-O 3.21Å; F114-T139 HydrophobicContact CB-CG2 3.9Å; F114-T139 VanDerWaalsContact CB-O 3.26Å; F114-T139 WeakPolarHBondContact CB-O 3.39Å; F114-T139 HydrophobicContact CD2-CG2 4.13Å; F114-T139 HydrophobicContact CG-CG2 4.29Å; F114-T140 HydrophobicContact CB-CG2 4.03Å
115E86.9Confident74.8Confident105 Ų10579.6 Ų79.649%0.49137%0.374SS..G310 helixtrans-59.9-29.3178.1-65.9171.7-159.400113.4R113 T139 P141 N142R113-E115 PolarHBondContact O-N 3.29Å; R113-E115 VanDerWaalsContact O-N 3.07Å; E115-T139 PolarHBondContact N-O 2.89Å; E115-T139 VanDerWaalsContact N-O 3.16Å; E115-P141 HydrophobicContact CB-CG 4.38Å; E115-N142 WeakPolarHBondContact O-CB 3.41Å; E115-N142 PolarHBondContact O-ND2 3.07Å
116N85.3Confident76.8Confident64 Ų6473 Ų7334%0.34234%0.344SS..G310 helixtrans-98.41.5-174.9-68-26.4000113.4V109 E111 R113 F114 P118V109-N116 HydrophobicContact CG1-CB 4.33Å; E111-N116 PolarHBondContact OE2-ND2 2.83Å; R113-N116 PolarHBondContact O-N 2.96Å; F114-N116 PolarHBondContact O-N 3.31Å; N116-P118 VanDerWaalsContact O-CD 3.22Å; N116-P118 WeakPolarHBondContact O-CD 3.35Å
117L85.6Confident78.7Confident9 Ų969.4 Ų69.45%0.04733%0.331CS..  trans-67.9118.1179-69.2179.5000111Y85 F114 V120 N142 V143Y85-L117 HydrophobicContact CE1-CD1 4.41Å; Y85-L117 HydrophobicContact CE1-CD2 4.42Å; F114-L117 HydrophobicContact CD1-CD1 3.8Å; F114-L117 PolarHBondContact O-N 2.95Å; L117-V120 HydrophobicContact CB-CG2 4.48Å; L117-V120 HydrophobicContact CD1-CG2 4.16Å; L117-N142 CarbonylContact O-C 3.6Å; L117-N142 VanDerWaalsContact O-C 3.31Å; L117-V143 HydrophobicContact CB-CG2 4.45Å; L117-V143 WeakPolarHBondContact O-CA 3.49Å; L117-V143 WeakPolarHBondContact O-CG2 3.35Å; L117-V143 PolarHBondContact O-N 2.84Å
118P87.6Confident81Confident17 Ų1762.6 Ų62.611%0.1130%0.303CS..SBendtrans-81.4-24.5172.733.2-32.9000111.7W106 V109 N116 Q144 W145W106-P118 HydrophobicContact CE3-CB 3.95Å; W106-P118 HydrophobicContact CZ3-CB 4.43Å; V109-P118 HydrophobicContact CG2-CG 4.02Å; N116-P118 VanDerWaalsContact O-CD 3.22Å; N116-P118 WeakPolarHBondContact O-CD 3.35Å; P118-Q144 PolarHBondContact O-N 3.4Å; P118-W145 PolarHBondContact O-N 2.8Å; P118-W145 VanDerWaalsContact O-N 3.08Å
119S89.6Confident83.3Confident27 Ų2759.3 Ų59.319%0.18929%0.285CS..EExtended strand (participates in β ladder)trans-133.7142.5-179.4570000110.7W145S119-W145 CarbonylContact C-O 3.6Å; S119-W145 WeakPolarHBondContact CA-O 3.49Å
120V92.1Very high85.6Confident0 Ų058.1 Ų58.10%028%0.279CS..EExtended strand (participates in β ladder)trans-124.8122172.3168.50000108.5F77 V81 Y85 L117 L122 V143 W145 L146 D147F77-V120 HydrophobicContact CE2-CG1 4.12Å; F77-V120 HydrophobicContact CZ-CG1 4.05Å; V81-V120 HydrophobicContact CG2-CG1 3.94Å; Y85-V120 HydrophobicContact CE2-CG1 4.42Å; Y85-V120 WeakPolarHBondContact OH-CA 3.28Å; L117-V120 HydrophobicContact CB-CG2 4.48Å; L117-V120 HydrophobicContact CD1-CG2 4.16Å; V120-L122 HydrophobicContact CG1-CD1 3.81Å; V120-L122 HydrophobicContact CG1-CD2 4.38Å; V120-L122 HydrophobicContact CG1-CG 3.7Å; V120-V143 HydrophobicContact CB-CG1 4.38Å; V120-V143 HydrophobicContact CG2-CG1 4.24Å; V120-V143 HydrophobicContact CG2-CG2 3.57Å; V120-W145 PolarHBondContact N-O 2.75Å; V120-L146 HydrophobicContact CB-CD1 3.96Å; V120-L146 HydrophobicContact CG1-CD1 3.78Å; V120-L146 WeakPolarHBondContact O-CA 3.25Å; V120-D147 PolarHBondContact O-N 2.74Å
121V92.6Very high87.6Confident4 Ų451.7 Ų51.72%0.02426%0.262CS..EExtended strand (participates in β ladder)trans-114112.6178.5-175.80000109Y85 V92 E95 I97 N123 D147Y85-V121 PolarHBondContact OH-N 2.82Å; V92-V121 HydrophobicContact CG1-CB 3.9Å; V92-V121 HydrophobicContact CG1-CG2 4.42Å; E95-V121 WeakPolarHBondContact OE2-CG1 3.21Å; I97-V121 HydrophobicContact CD1-CG2 4.2Å; V121-N123 HydrophobicContact CG1-CB 4.33Å; V121-D147 HydrophobicContact CG1-CB 4.13Å
122L93.6Very high89.6Confident0 Ų051.8 Ų51.80%027%0.269CS..  trans-12732.9179.4-60.7174.4000110.1F77 A80 V81 T84 V120 H124 C125 V127 D147 L148F77-L122 HydrophobicContact CD2-CD1 3.79Å; F77-L122 HydrophobicContact CE2-CD1 3.65Å; A80-L122 HydrophobicContact CB-CD1 4.18Å; A80-L122 HydrophobicContact CB-CD2 4.21Å; V81-L122 HydrophobicContact CG2-CD1 3.89Å; V81-L122 HydrophobicContact CG2-CD2 4.38Å; T84-L122 HydrophobicContact CG2-CD2 4.27Å; V120-L122 HydrophobicContact CG1-CD1 3.81Å; V120-L122 HydrophobicContact CG1-CD2 4.38Å; V120-L122 HydrophobicContact CG1-CG 3.7Å; L122-H124 PolarHBondContact O-N 2.87Å; L122-C125 HydrophobicContact CB-CB 4.05Å; L122-C125 VanDerWaalsContact O-CB 3.26Å; L122-C125 WeakPolarHBondContact O-CB 3.43Å; L122-C125 PolarHBondContact O-N 3.13Å; L122-V127 HydrophobicContact CB-CG2 4.28Å; L122-V127 HydrophobicContact CD1-CG2 3.99Å; L122-D147 CarbonylContact C-O 3.52Å; L122-D147 WeakPolarHBondContact CA-O 3.47Å; L122-D147 WeakPolarHBondContact CB-O 3.29Å; L122-D147 PolarHBondContact N-O 2.76Å; L122-L148 HydrophobicContact CB-CD2 4.16Å; L122-L148 HydrophobicContact CD1-CD2 4.1Å
123N91.6Very high91.3Very high58 Ų5846.1 Ų46.131%0.3126%0.261SS..THydrogen-bonded Turntrans-55132.7175.862.7-24.9000110.3V121 C125 S149V121-N123 HydrophobicContact CG1-CB 4.33Å; N123-C125 PolarHBondContact O-N 2.9Å; N123-S149 CarbonylContact C-O 3.51Å; N123-S149 WeakPolarHBondContact CA-O 3.4Å
124H92.6Very high92.1Very high101 Ų10139.2 Ų39.247%0.46824%0.243SC..THydrogen-bonded Turntrans54.717.6-176.7-56-63.7000115.3R16 L122 S149R16-H124 VanDerWaalsContact NH2-C 3.28Å; R16-H124 PolarHBondContact NH2-O 3.37Å; L122-H124 PolarHBondContact O-N 2.87Å; H124-S149 PolarHBondContact N-O 3.11Å
125C94.6Very high92.7Very high27 Ų2740.7 Ų40.718%0.18225%0.251CS..  trans-81.8144.9167.1-64.90000109.6T84 L122 N123 V127 S151T84-C125 PolarHBondContact OG1-SG 2.91Å; L122-C125 HydrophobicContact CB-CB 4.05Å; L122-C125 VanDerWaalsContact O-CB 3.26Å; L122-C125 WeakPolarHBondContact O-CB 3.43Å; L122-C125 PolarHBondContact O-N 3.13Å; N123-C125 PolarHBondContact O-N 2.9Å; C125-V127 HydrophobicContact CB-CG2 4.14Å; C125-V127 PolarHBondContact O-N 2.74Å; C125-S151 WeakPolarHBondContact O-CA 3.33Å
126D95.9Very high93.2Very high42 Ų4235.7 Ų35.723%0.22523%0.227CC..  trans-79.151.2-177.3-71.8-16.4000112.3S11 R16 G74 V75 N128 L152S11-D126 VanDerWaalsContact CB-OD2 3.26Å; S11-D126 WeakPolarHBondContact CB-OD2 3.1Å; S11-D126 PolarHBondContact OG-OD2 3.19Å; R16-D126 IonicContact NE-OD1 3.65Å; R16-D126 IonicContact NH2-OD1 3.41Å; R16-D126 PolarHBondContact NH2-OD1 2.81Å; G74-D126 CarbonylContact C-O 3.55Å; G74-D126 WeakPolarHBondContact CA-O 3.22Å; V75-D126 PolarHBondContact N-O 3.22Å; D126-N128 PolarHBondContact O-N 2.92Å; D126-L152 HydrophobicContact CB-CD1 3.65Å; D126-L152 HydrophobicContact CB-CG 4.05Å
127V97.6Very high93.7Very high0 Ų037.5 Ų37.50%023%0.229CC..EExtended strand (participates in β ladder)trans-70.6124.9176.4-177.10000109.5V75 F77 A80 L122 C125 L148 L152 L153 I162V75-V127 CarbonylContact O-C 3.56Å; V75-V127 WeakPolarHBondContact O-CA 3.49Å; F77-V127 HydrophobicContact CB-CG1 4.28Å; A80-V127 HydrophobicContact CB-CG2 3.53Å; L122-V127 HydrophobicContact CB-CG2 4.28Å; L122-V127 HydrophobicContact CD1-CG2 3.99Å; C125-V127 HydrophobicContact CB-CG2 4.14Å; C125-V127 PolarHBondContact O-N 2.74Å; V127-L148 HydrophobicContact CB-CD2 4.04Å; V127-L148 HydrophobicContact CG1-CD2 4.01Å; V127-L148 HydrophobicContact CG2-CD2 3.9Å; V127-L152 CarbonylContact O-C 3.39Å; V127-L152 VanDerWaalsContact O-C 3.32Å; V127-L152 VanDerWaalsContact O-CA 3.3Å; V127-L152 WeakPolarHBondContact O-CA 3.45Å; V127-L152 PolarHBondContact O-N 3.09Å; V127-L153 PolarHBondContact O-N 2.88Å; V127-I162 HydrophobicContact CG1-CD1 4.21Å
128N95.7Very high94.1Very high42 Ų4243.6 Ų43.623%0.22526%0.255CS..EExtended strand (participates in β ladder)trans-114.6-5.9-177.37311.3000114.6F73 G74 V75 D126 L152F73-N128 WeakPolarHBondContact O-CB 3.36Å; F73-N128 PolarHBondContact O-ND2 3.08Å; G74-N128 PolarHBondContact O-ND2 3.23Å; V75-N128 PolarHBondContact O-N 3.12Å; V75-N128 PolarHBondContact O-OD1 3.07Å; V75-N128 VanDerWaalsContact O-OD1 3.13Å; D126-N128 PolarHBondContact O-N 2.92Å; N128-L152 HydrophobicContact CB-CB 4.31Å
129G96.3Very high94.4Very high8 Ų843.7 Ų43.78%0.08226%0.256CS..EExtended strand (participates in β ladder)trans164.5-175.1-178.800000113.6D76 F77D76-G129 CarbonylContact C-O 3.39Å; D76-G129 WeakPolarHBondContact CA-O 3.18Å; F77-G129 PolarHBondContact N-O 3Å
130A96.2Very high94.6Very high12 Ų1242.4 Ų42.410%0.09925%0.247CC..  trans-78.7-19.6-171.500000115.7I136 A161 I162A130-I136 HydrophobicContact CB-CD1 3.94Å; A130-I136 WeakPolarHBondContact O-CD1 3.34Å; A130-A161 HydrophobicContact CB-CB 3.78Å; A130-A161 WeakPolarHBondContact CB-O 3.28Å; A130-I162 HydrophobicContact CB-CG1 3.73Å
131G94Very high94.8Very high49 Ų4944.4 Ų44.451%0.50526%0.26SS..  trans72.4-138.5-172.600000112.5
132V93.7Very high94.8Very high106 Ų10646.4 Ų46.464%0.64227%0.27SS*.SBendtrans-75.1129.5-175.8-177.30000110.7G134 E135V132-G134 PolarHBondContact O-N 2.76Å; V132-E135 HydrophobicContact CB-CG 3.91Å; V132-E135 HydrophobicContact CG1-CG 3.95Å; V132-E135 PolarHBondContact O-N 3.02Å
133A94.2Very high94.8Very high88 Ų8846.4 Ų46.473%0.72727%0.27SS*.THydrogen-bonded Turntrans-60132.3-178.700000112.2E135A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.39Å
134G94.4Very high95Very high26 Ų2646.2 Ų46.227%0.26827%0.268SS..THydrogen-bonded Turntrans88-15.7177.200000114.8V132 R137 K138V132-G134 PolarHBondContact O-N 2.76Å; G134-R137 PolarHBondContact O-N 2.89Å; G134-K138 WeakPolarHBondContact O-CG 3.39Å; G134-K138 PolarHBondContact O-N 3.13Å
135E96.3Very high95.1Very high70 Ų7041.6 Ų41.633%0.32725%0.246SC..Hα-helixtrans-72.8-34.1-177.5-67.5-58.3117.700112.5L78 V132 A133 R137 K138 T139L78-E135 HydrophobicContact CD1-CB 3.62Å; V132-E135 HydrophobicContact CB-CG 3.91Å; V132-E135 HydrophobicContact CG1-CG 3.95Å; V132-E135 PolarHBondContact O-N 3.02Å; A133-E135 VanDerWaalsContact C-N 3.32Å; A133-E135 PolarHBondContact O-N 3.39Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.39Å; E135-K138 PolarHBondContact O-N 3.28Å; E135-K138 IonicContact OE1-NZ 3.96Å; E135-K138 PolarHBondContact OE1-NZ 3.33Å; E135-T139 WeakPolarHBondContact O-CB 3.25Å; E135-T139 PolarHBondContact O-N 3.31Å; E135-T139 PolarHBondContact O-OG1 2.93Å
136I96.9Very high95.1Very high0 Ų040.3 Ų40.30%024%0.237CC..Hα-helixtrans-60.9-47.5175.9-59.8-176.7000109.6F77 L78 A130 K138 T139 T140 I162 Q165 L166F77-I136 HydrophobicContact CB-CD1 4.03Å; F77-I136 HydrophobicContact CD1-CB 4.49Å; F77-I136 HydrophobicContact CD1-CD1 3.63Å; F77-I136 HydrophobicContact CD1-CG1 3.75Å; F77-I136 HydrophobicContact CD1-CG2 4.09Å; F77-I136 HydrophobicContact CE1-CD1 4.38Å; F77-I136 HydrophobicContact CE1-CG1 4.35Å; F77-I136 HydrophobicContact CE1-CG2 3.83Å; F77-I136 HydrophobicContact CG-CD1 3.98Å; L78-I136 HydrophobicContact CD1-CG1 4.38Å; L78-I136 HydrophobicContact CD2-CG1 4.43Å; L78-I136 HydrophobicContact CG-CG1 4.08Å; A130-I136 HydrophobicContact CB-CD1 3.94Å; A130-I136 WeakPolarHBondContact O-CD1 3.34Å; I136-K138 VanDerWaalsContact C-N 3.25Å; I136-K138 PolarHBondContact O-N 3.44Å; I136-T139 PolarHBondContact O-N 2.92Å; I136-T140 PolarHBondContact O-N 3.4Å; I136-T140 PolarHBondContact O-OG1 2.62Å; I136-T140 VanDerWaalsContact O-OG1 3.08Å; I136-I162 HydrophobicContact CD1-CB 4.35Å; I136-I162 HydrophobicContact CD1-CG1 4.29Å; I136-I162 HydrophobicContact CD1-CG2 4.12Å; I136-Q165 HydrophobicContact CB-CB 3.76Å; I136-Q165 HydrophobicContact CB-CG 4.41Å; I136-Q165 HydrophobicContact CG2-CB 3.96Å; I136-L166 HydrophobicContact CG2-CD2 3.49Å; I136-L166 VanDerWaalsContact CG2-CD2 3.49Å; I136-L166 HydrophobicContact CG2-CG 4Å
137R96.5Very high95.2Very high101 Ų10139.4 Ų39.438%0.38123%0.233SC..Hα-helixtrans-58.9-36.3179.5-176.9-178.4-71.5-89.1-9.9112.6G134 E135 P141 E164 Q165 D167G134-R137 PolarHBondContact O-N 2.89Å; E135-R137 VanDerWaalsContact C-N 3.33Å; E135-R137 PolarHBondContact O-N 3.39Å; R137-P141 WeakPolarHBondContact O-CB 3.36Å; R137-E164 PolarHBondContact NH2-O 3.08Å; R137-Q165 WeakPolarHBondContact CA-O 3.34Å; R137-Q165 HydrophobicContact CB-CB 4.17Å; R137-Q165 WeakPolarHBondContact CB-O 3.33Å; R137-D167 IonicContact CZ-OD1 3.1Å; R137-D167 IonicContact CZ-OD2 3.85Å; R137-D167 IonicContact NH1-OD1 2.61Å; R137-D167 PolarHBondContact NH1-OD1 3.01Å; R137-D167 IonicContact NH1-OD2 3.83Å; R137-D167 PolarHBondContact NH1-OD2 3.16Å; R137-D167 IonicContact NH2-OD1 2.76Å; R137-D167 PolarHBondContact NH2-OD1 3.48Å; R137-D167 IonicContact NH2-OD2 3.35Å
138K95Very high95.2Very high137 Ų13739.4 Ų39.460%0.59623%0.233SC*.Hα-helixtrans-75.7-41.4177.4-67.2173.6-168.4166.20112.3G134 E135 I136 P141G134-K138 WeakPolarHBondContact O-CG 3.39Å; G134-K138 PolarHBondContact O-N 3.13Å; E135-K138 PolarHBondContact O-N 3.28Å; E135-K138 IonicContact OE1-NZ 3.96Å; E135-K138 PolarHBondContact OE1-NZ 3.33Å; I136-K138 VanDerWaalsContact C-N 3.25Å; I136-K138 PolarHBondContact O-N 3.44Å; K138-P141 WeakPolarHBondContact O-CD 3.22Å
139T93.6Very high95.2Very high20 Ų2038 Ų3812%0.12323%0.226CC..Hα-helixtrans-83.8-38.2-169.7-50.70000112.3L78 F114 E115 E135 I136L78-T139 HydrophobicContact CD2-CG2 3.97Å; F114-T139 CarbonylContact C-O 3.21Å; F114-T139 HydrophobicContact CB-CG2 3.9Å; F114-T139 VanDerWaalsContact CB-O 3.26Å; F114-T139 WeakPolarHBondContact CB-O 3.39Å; F114-T139 HydrophobicContact CD2-CG2 4.13Å; F114-T139 HydrophobicContact CG-CG2 4.29Å; E115-T139 PolarHBondContact N-O 2.89Å; E115-T139 VanDerWaalsContact N-O 3.16Å; E135-T139 WeakPolarHBondContact O-CB 3.25Å; E135-T139 PolarHBondContact O-N 3.31Å; E135-T139 PolarHBondContact O-OG1 2.93Å; I136-T139 PolarHBondContact O-N 2.92Å
140T93.6Very high95.2Very high0 Ų037.6 Ų37.60%022%0.222CC..SBendtrans-130.653.2-175.7580000112.5L78 F114 I136 N142 V143 L166L78-T140 HydrophobicContact CD2-CG2 4.48Å; F114-T140 HydrophobicContact CB-CG2 4.03Å; I136-T140 PolarHBondContact O-N 3.4Å; I136-T140 PolarHBondContact O-OG1 2.62Å; I136-T140 VanDerWaalsContact O-OG1 3.08Å; T140-N142 VanDerWaalsContact C-N 3.28Å; T140-N142 PolarHBondContact O-N 3.35Å; T140-V143 HydrophobicContact CG2-CG2 4.45Å; T140-L166 WeakPolarHBondContact O-CD2 3.35Å
141P95.1Very high95.2Very high42 Ų4237 Ų3727%0.27322%0.217SC..THydrogen-bonded Turntrans-63.2-24.2-175.523.4-36.8000115.5E115 R137 K138E115-P141 HydrophobicContact CB-CG 4.38Å; R137-P141 WeakPolarHBondContact O-CB 3.36Å; K138-P141 WeakPolarHBondContact O-CD 3.22Å
142N93.1Very high95.4Very high45 Ų4534.8 Ų34.824%0.24119%0.194CC..THydrogen-bonded Turntrans-99.44.7-171.6-68.9-48.5000114.7E115 L117 T140 Q144 K168E115-N142 WeakPolarHBondContact O-CB 3.41Å; E115-N142 PolarHBondContact O-ND2 3.07Å; L117-N142 CarbonylContact O-C 3.6Å; L117-N142 VanDerWaalsContact O-C 3.31Å; T140-N142 VanDerWaalsContact C-N 3.28Å; T140-N142 PolarHBondContact O-N 3.35Å; N142-Q144 PolarHBondContact O-N 3.1Å; N142-Q144 PolarHBondContact O-NE2 2.95Å; N142-K168 PolarHBondContact OD1-NZ 3.34Å
143V94.1Very high95.5Very high0 Ų029.8 Ų29.80%016%0.163CC..  trans-65.1124.1-180175.70000110.1L117 V120 T140 W145 L166 K168 L169L117-V143 HydrophobicContact CB-CG2 4.45Å; L117-V143 WeakPolarHBondContact O-CA 3.49Å; L117-V143 WeakPolarHBondContact O-CG2 3.35Å; L117-V143 PolarHBondContact O-N 2.84Å; V120-V143 HydrophobicContact CB-CG1 4.38Å; V120-V143 HydrophobicContact CG2-CG1 4.24Å; V120-V143 HydrophobicContact CG2-CG2 3.57Å; T140-V143 HydrophobicContact CG2-CG2 4.45Å; V143-W145 VanDerWaalsContact CG1-O 3.24Å; V143-W145 WeakPolarHBondContact CG1-O 3.35Å; V143-L166 HydrophobicContact CB-CD2 4.12Å; V143-L166 HydrophobicContact CG1-CD1 4.28Å; V143-K168 CarbonylContact O-C 3.52Å; V143-L169 HydrophobicContact CG1-CD1 4.35Å; V143-L169 PolarHBondContact O-N 2.97Å
144Q94.9Very high95.4Very high55 Ų5526.3 Ų26.326%0.25713%0.134SC..  trans-114.3-23.4178.5-72.1165.873.200111.6W106 P118 N142 K168 E170 G171W106-Q144 HydrophobicContact CE3-CB 4.47Å; W106-Q144 HydrophobicContact CH2-CB 3.31Å; W106-Q144 HydrophobicContact CH2-CG 4.05Å; W106-Q144 VanDerWaalsContact CH2-OE1 3.26Å; W106-Q144 HydrophobicContact CZ2-CB 4.34Å; W106-Q144 HydrophobicContact CZ3-CB 3.4Å; W106-Q144 HydrophobicContact CZ3-CG 3.96Å; P118-Q144 PolarHBondContact O-N 3.4Å; N142-Q144 PolarHBondContact O-N 3.1Å; N142-Q144 PolarHBondContact O-NE2 2.95Å; Q144-K168 WeakPolarHBondContact CA-O 3.42Å; Q144-K168 HydrophobicContact CG-CB 3.76Å; Q144-K168 VanDerWaalsContact CG-O 3.28Å; Q144-K168 WeakPolarHBondContact CG-O 3.45Å; Q144-E170 PolarHBondContact O-N 3.42Å; Q144-G171 PolarHBondContact O-N 3.12Å
145W94.7Very high95.4Very high3 Ų327 Ų271%0.01113%0.132CC..EExtended strand (participates in β ladder)trans-123133174.4-179.3-95.2000112.2I97 I99 L104 P118 S119 V120 V143 G171 Q173 L197I97-W145 VanDerWaalsContact CD1-CD1 3.48Å; I97-W145 HydrophobicContact CD1-CG 4.16Å; I97-W145 HydrophobicContact CG2-CD2 4.24Å; I97-W145 HydrophobicContact CG2-CH2 3.94Å; I97-W145 HydrophobicContact CG2-CZ2 3.22Å; I99-W145 HydrophobicContact CB-CH2 4.19Å; I99-W145 HydrophobicContact CD1-CH2 3.26Å; I99-W145 HydrophobicContact CD1-CZ2 3.74Å; I99-W145 HydrophobicContact CD1-CZ3 4.26Å; I99-W145 HydrophobicContact CG1-CH2 3.52Å; I99-W145 HydrophobicContact CG1-CZ2 4.02Å; L104-W145 HydrophobicContact CD1-CD2 4.07Å; L104-W145 HydrophobicContact CD1-CE3 3.58Å; L104-W145 HydrophobicContact CD1-CH2 3.2Å; L104-W145 HydrophobicContact CD1-CZ2 3.89Å; L104-W145 HydrophobicContact CD1-CZ3 3.13Å; L104-W145 HydrophobicContact CG-CZ3 4.49Å; P118-W145 PolarHBondContact O-N 2.8Å; P118-W145 VanDerWaalsContact O-N 3.08Å; S119-W145 CarbonylContact C-O 3.6Å; S119-W145 WeakPolarHBondContact CA-O 3.49Å; V120-W145 PolarHBondContact N-O 2.75Å; V143-W145 VanDerWaalsContact CG1-O 3.24Å; V143-W145 WeakPolarHBondContact CG1-O 3.35Å; W145-G171 WeakPolarHBondContact CA-O 3.32Å; W145-G171 VanDerWaalsContact CE3-CA 3.47Å; W145-Q173 HydrophobicContact CZ2-CB 4.01Å; W145-L197 HydrophobicContact CH2-CD1 4.47Å; W145-L197 HydrophobicContact CH2-CD2 3.49Å; W145-L197 VanDerWaalsContact CH2-CD2 3.49Å; W145-L197 HydrophobicContact CZ3-CD1 4.07Å; W145-L197 HydrophobicContact CZ3-CD2 3.34Å; W145-L197 HydrophobicContact CZ3-CG 4.2Å
146L96.4Very high95.4Very high0 Ų023.7 Ų23.70%012%0.117CC..EExtended strand (participates in β ladder)trans-133.4122.1176.4177.955.1000111.9F77 V120 L148 I162 L166 L169 G171 L172 Q173F77-L146 HydrophobicContact CE2-CD1 3.69Å; F77-L146 HydrophobicContact CE2-CD2 4.21Å; F77-L146 HydrophobicContact CZ-CD1 4.37Å; V120-L146 HydrophobicContact CB-CD1 3.96Å; V120-L146 HydrophobicContact CG1-CD1 3.78Å; V120-L146 WeakPolarHBondContact O-CA 3.25Å; L146-L148 HydrophobicContact CD1-CD1 4.24Å; L146-L148 HydrophobicContact CD1-CD2 4.32Å; L146-L148 HydrophobicContact CD1-CG 3.87Å; L146-L148 HydrophobicContact CD2-CD1 3.55Å; L146-L148 HydrophobicContact CD2-CG 4.12Å; L146-L148 HydrophobicContact CG-CD1 3.82Å; L146-L148 HydrophobicContact CG-CG 3.83Å; L146-I162 HydrophobicContact CD2-CG2 3.93Å; L146-L166 HydrophobicContact CD2-CD1 3.8Å; L146-L169 HydrophobicContact CB-CD1 3.66Å; L146-G171 PolarHBondContact N-O 3.2Å; L146-L172 HydrophobicContact CB-CD1 4.11Å; L146-L172 HydrophobicContact CD2-CD1 4.16Å; L146-L172 HydrophobicContact CG-CD1 4.08Å; L146-L172 WeakPolarHBondContact O-CA 3.49Å; L146-Q173 PolarHBondContact O-N 3.29Å
147D96.6Very high95.3Very high24 Ų2430.7 Ų30.713%0.12815%0.148CC..EExtended strand (participates in β ladder)trans-105.1117.4168.8-166.9-17.1000111.1V120 V121 L122 S149 Q173V120-D147 PolarHBondContact O-N 2.74Å; V121-D147 HydrophobicContact CG1-CB 4.13Å; L122-D147 CarbonylContact C-O 3.52Å; L122-D147 WeakPolarHBondContact CA-O 3.47Å; L122-D147 WeakPolarHBondContact CB-O 3.29Å; L122-D147 PolarHBondContact N-O 2.76Å; D147-S149 WeakPolarHBondContact OD1-CB 3.42Å; D147-S149 PolarHBondContact OD1-N 2.95Å; D147-S149 PolarHBondContact OD1-OG 2.86Å; D147-Q173 HydrophobicContact CB-CB 4.16Å; D147-Q173 HydrophobicContact CB-CG 4.3Å; D147-Q173 VanDerWaalsContact CG-CG 3.49Å; D147-Q173 WeakPolarHBondContact OD1-CG 3.39Å
148L97.6Very high95.2Very high0 Ų027.8 Ų27.80%014%0.14CC..  trans-12426.8176.6-72.7167.7000110.8F77 L122 V127 L146 G150 S151 L153 I162 Q173 L174 N177F77-L148 HydrophobicContact CD2-CD2 4.42Å; L122-L148 HydrophobicContact CB-CD2 4.16Å; L122-L148 HydrophobicContact CD1-CD2 4.1Å; V127-L148 HydrophobicContact CB-CD2 4.04Å; V127-L148 HydrophobicContact CG1-CD2 4.01Å; V127-L148 HydrophobicContact CG2-CD2 3.9Å; L146-L148 HydrophobicContact CD1-CD1 4.24Å; L146-L148 HydrophobicContact CD1-CD2 4.32Å; L146-L148 HydrophobicContact CD1-CG 3.87Å; L146-L148 HydrophobicContact CD2-CD1 3.55Å; L146-L148 HydrophobicContact CD2-CG 4.12Å; L146-L148 HydrophobicContact CG-CD1 3.82Å; L146-L148 HydrophobicContact CG-CG 3.83Å; L148-G150 PolarHBondContact O-N 2.95Å; L148-S151 VanDerWaalsContact O-CB 3.28Å; L148-S151 WeakPolarHBondContact O-CB 3.49Å; L148-S151 PolarHBondContact O-N 2.98Å; L148-S151 PolarHBondContact O-OG 3.49Å; L148-L153 HydrophobicContact CB-CD1 4.34Å; L148-L153 HydrophobicContact CD1-CD1 3.87Å; L148-I162 HydrophobicContact CD1-CD1 4.2Å; L148-Q173 PolarHBondContact N-O 2.88Å; L148-L174 HydrophobicContact CB-CD2 3.86Å; L148-L174 HydrophobicContact CD1-CD2 4.43Å; L148-N177 PolarHBondContact O-ND2 3.17Å
149S96.9Very high95.4Very high11 Ų1121.3 Ų21.38%0.07711%0.111CC..THydrogen-bonded Turntrans-57.7137.2179.2-62.20000111.1N123 H124 D147 S151 Q173 S175N123-S149 CarbonylContact C-O 3.51Å; N123-S149 WeakPolarHBondContact CA-O 3.4Å; H124-S149 PolarHBondContact N-O 3.11Å; D147-S149 WeakPolarHBondContact OD1-CB 3.42Å; D147-S149 PolarHBondContact OD1-N 2.95Å; D147-S149 PolarHBondContact OD1-OG 2.86Å; S149-S151 PolarHBondContact O-N 2.95Å; S149-Q173 WeakPolarHBondContact OG-CG 3.48Å; S149-S175 CarbonylContact C-O 3.31Å; S149-S175 WeakPolarHBondContact CA-O 3.42Å; S149-S175 VanDerWaalsContact CB-O 3.3Å; S149-S175 WeakPolarHBondContact CB-O 3.4Å
150G95.9Very high95.5Very high0 Ų020.6 Ų20.60%011%0.107CC..THydrogen-bonded Turntrans56.737178.600000113.4R16 L148 S175 V176 N177R16-G150 PolarHBondContact NE-O 3.41Å; R16-G150 PolarHBondContact NH2-O 2.89Å; L148-G150 PolarHBondContact O-N 2.95Å; G150-S175 PolarHBondContact N-O 2.89Å; G150-V176 WeakPolarHBondContact CA-O 3.47Å; G150-N177 PolarHBondContact N-OD1 2.87Å
151S96.9Very high95.7Very high0 Ų022.4 Ų22.40%012%0.122CC..  trans-82-171.7172.264.80000111.6R9 C125 L148 S149 L153 N177R9-S151 PolarHBondContact NH1-O 3.26Å; R9-S151 PolarHBondContact NH2-O 2.98Å; C125-S151 WeakPolarHBondContact O-CA 3.33Å; L148-S151 VanDerWaalsContact O-CB 3.28Å; L148-S151 WeakPolarHBondContact O-CB 3.49Å; L148-S151 PolarHBondContact O-N 2.98Å; L148-S151 PolarHBondContact O-OG 3.49Å; S149-S151 PolarHBondContact O-N 2.95Å; S151-L153 WeakPolarHBondContact OG-CD1 3.47Å; S151-L153 WeakPolarHBondContact OG-CG 3.27Å; S151-N177 PolarHBondContact N-OD1 2.74Å; S151-N177 PolarHBondContact O-OD1 2.81Å; S151-N177 PolarHBondContact OG-OD1 3.45Å; S151-N177 VanDerWaalsContact OG-OD1 3.13Å
152L96.9Very high95.8Very high3 Ų320.4 Ų20.42%0.01611%0.109CC..  trans-10620.1173.1-59.4-175.8000112.3R9 R16 D126 V127 N128 S154R9-L152 HydrophobicContact CB-CB 4.02Å; R9-L152 HydrophobicContact CB-CD2 4.03Å; R9-L152 WeakPolarHBondContact CB-O 3.29Å; R16-L152 HydrophobicContact CG-CD2 4.13Å; D126-L152 HydrophobicContact CB-CD1 3.65Å; D126-L152 HydrophobicContact CB-CG 4.05Å; V127-L152 CarbonylContact O-C 3.39Å; V127-L152 VanDerWaalsContact O-C 3.32Å; V127-L152 VanDerWaalsContact O-CA 3.3Å; V127-L152 WeakPolarHBondContact O-CA 3.45Å; V127-L152 PolarHBondContact O-N 3.09Å; N128-L152 HydrophobicContact CB-CB 4.31Å; L152-S154 PolarHBondContact O-N 3.11Å
153L95.6Very high96.1Very high0 Ų018.4 Ų18.40%010%0.099CC..  trans-68124.9173.2-63.8167.8000109.8R9 V127 L148 S151 D158 V159 I162 L174R9-L153 VanDerWaalsContact CD-O 3.26Å; R9-L153 WeakPolarHBondContact CD-O 3.39Å; V127-L153 PolarHBondContact O-N 2.88Å; L148-L153 HydrophobicContact CB-CD1 4.34Å; L148-L153 HydrophobicContact CD1-CD1 3.87Å; S151-L153 WeakPolarHBondContact OG-CD1 3.47Å; S151-L153 WeakPolarHBondContact OG-CG 3.27Å; L153-D158 HydrophobicContact CD2-CB 3.64Å; L153-V159 HydrophobicContact CB-CG2 4.42Å; L153-V159 HydrophobicContact CD1-CG2 4.13Å; L153-I162 HydrophobicContact CD1-CD1 4.19Å; L153-I162 HydrophobicContact CD2-CD1 4Å; L153-L174 HydrophobicContact CD1-CD2 4.46Å
154S92.7Very high96.2Very high16 Ų1623.7 Ų23.711%0.11212%0.124CC..  trans-100-26.8-176.137.90000113.6L152 D158 I179 S180L152-S154 PolarHBondContact O-N 3.11Å; S154-D158 PolarHBondContact OG-OD2 3.41Å; S154-D158 VanDerWaalsContact OG-OD2 3.08Å; S154-I179 WeakPolarHBondContact O-CA 3.49Å; S154-S180 PolarHBondContact O-N 3.47Å; S154-S180 PolarHBondContact O-OG 3.06Å
155T94.9Very high96.3Very high39 Ų3922 Ų2224%0.23912%0.116CC..BIsolated β-bridgetrans-138156.1-171.572.90000112.1K157 D158 V159T155-K157 PolarHBondContact O-N 3.45Å; T155-K157 PolarHBondContact OG1-N 3.12Å; T155-D158 PolarHBondContact N-OD2 2.87Å; T155-D158 PolarHBondContact O-N 3.27Å; T155-D158 VanDerWaalsContact O-N 3.1Å; T155-D158 PolarHBondContact OG1-N 2.93Å; T155-D158 PolarHBondContact OG1-OD2 3.44Å; T155-V159 PolarHBondContact O-N 2.86Å
156W96.3Very high96.5Very high1 Ų122.1 Ų22.10%0.00412%0.117CC..Hα-helixtrans-61.1-24.9171.7-79.5110.7000113.2V159 A160 L174 I179 T182 F192 L200 F205 M216 W217W156-V159 HydrophobicContact CE3-CB 4.19Å; W156-V159 HydrophobicContact CE3-CG1 4.27Å; W156-V159 HydrophobicContact CE3-CG2 4.35Å; W156-V159 HydrophobicContact CZ3-CG1 4.21Å; W156-V159 PolarHBondContact O-N 2.96Å; W156-A160 WeakPolarHBondContact O-CB 3.38Å; W156-A160 PolarHBondContact O-N 3.4Å; W156-L174 HydrophobicContact CH2-CD1 3.93Å; W156-L174 HydrophobicContact CZ3-CD1 3.86Å; W156-I179 HydrophobicContact CB-CG2 4.47Å; W156-I179 HydrophobicContact CD2-CG2 3.93Å; W156-I179 HydrophobicContact CG-CG2 3.78Å; W156-T182 HydrophobicContact CB-CG2 4.41Å; W156-F192 HydrophobicContact CE3-CE2 4.3Å; W156-F192 AromaticContact CE3-CZ 3.87Å; W156-F192 HydrophobicContact CE3-CZ 3.87Å; W156-F192 HydrophobicContact CZ3-CE1 4.39Å; W156-F192 HydrophobicContact CZ3-CZ 4.03Å; W156-L200 HydrophobicContact CH2-CD1 4.28Å; W156-L200 HydrophobicContact CH2-CD2 4Å; W156-L200 HydrophobicContact CZ2-CD1 4.24Å; W156-L200 HydrophobicContact CZ2-CD2 4.22Å; W156-F205 HydrophobicContact CZ2-CZ 4.41Å; W156-M216 HydrophobicContact CB-SD 4.33Å; W156-M216 HydrophobicContact CD2-CE 3.71Å; W156-M216 HydrophobicContact CD2-SD 4.21Å; W156-M216 HydrophobicContact CE3-CE 4.12Å; W156-M216 HydrophobicContact CE3-SD 4.3Å; W156-M216 HydrophobicContact CG-CE 3.93Å; W156-M216 HydrophobicContact CG-SD 4.22Å; W156-M216 HydrophobicContact CZ2-CE 4.4Å; W156-W217 AromaticContact CH2-CZ2 3.55Å; W156-W217 HydrophobicContact CH2-CZ2 3.55Å; W156-W217 HydrophobicContact CZ2-CH2 4.41Å; W156-W217 AromaticContact CZ2-CZ2 3.7Å; W156-W217 HydrophobicContact CZ2-CZ2 3.7Å; W156-W217 HydrophobicContact CZ3-CZ2 4.26Å
157K94.7Very high96.4Very high148 Ų14826.2 Ų26.264%0.64314%0.138SC*.Hα-helixtrans-64.2-41.7173.1-177.9-176.7177.4-178.10111.7T155 V159 A160 A161T155-K157 PolarHBondContact O-N 3.45Å; T155-K157 PolarHBondContact OG1-N 3.12Å; K157-V159 VanDerWaalsContact C-N 3.34Å; K157-A160 PolarHBondContact O-N 3.28Å; K157-A161 WeakPolarHBondContact O-CB 3.29Å; K157-A161 PolarHBondContact O-N 3.08Å
158D94.5Very high96.4Very high40 Ų4029.9 Ų29.921%0.21415%0.153CC..Hα-helixtrans-65.6-41.6178.7-54.1-43.5000110.6L153 S154 T155L153-D158 HydrophobicContact CD2-CB 3.64Å; S154-D158 PolarHBondContact OG-OD2 3.41Å; S154-D158 VanDerWaalsContact OG-OD2 3.08Å; T155-D158 PolarHBondContact N-OD2 2.87Å; T155-D158 PolarHBondContact O-N 3.27Å; T155-D158 VanDerWaalsContact O-N 3.1Å; T155-D158 PolarHBondContact OG1-N 2.93Å; T155-D158 PolarHBondContact OG1-OD2 3.44Å
159V97.6Very high96.4Very high0 Ų030.2 Ų30.20%016%0.155CC..Hα-helixtrans-63-50.9174.4-176.70000110.4L153 T155 W156 K157 A161 I162 T163 L172 L174 I179 F192L153-V159 HydrophobicContact CB-CG2 4.42Å; L153-V159 HydrophobicContact CD1-CG2 4.13Å; T155-V159 PolarHBondContact O-N 2.86Å; W156-V159 HydrophobicContact CE3-CB 4.19Å; W156-V159 HydrophobicContact CE3-CG1 4.27Å; W156-V159 HydrophobicContact CE3-CG2 4.35Å; W156-V159 HydrophobicContact CZ3-CG1 4.21Å; W156-V159 PolarHBondContact O-N 2.96Å; K157-V159 VanDerWaalsContact C-N 3.34Å; V159-A161 VanDerWaalsContact C-N 3.28Å; V159-A161 PolarHBondContact O-N 3.49Å; V159-I162 WeakPolarHBondContact O-CB 3.36Å; V159-I162 PolarHBondContact O-N 3.23Å; V159-T163 HydrophobicContact CG1-CG2 4.18Å; V159-T163 PolarHBondContact O-N 3.23Å; V159-T163 PolarHBondContact O-OG1 2.86Å; V159-L172 HydrophobicContact CG1-CD2 4.09Å; V159-L174 HydrophobicContact CG1-CD1 3.96Å; V159-L174 HydrophobicContact CG1-CD2 4.44Å; V159-L174 HydrophobicContact CG2-CD1 4.41Å; V159-L174 HydrophobicContact CG2-CD2 4.36Å; V159-I179 HydrophobicContact CG2-CD1 3.99Å; V159-F192 HydrophobicContact CB-CZ 4.31Å; V159-F192 HydrophobicContact CG1-CE1 3.75Å; V159-F192 HydrophobicContact CG1-CZ 3.78Å
160A97.4Very high96.4Very high5 Ų532.8 Ų32.84%0.04117%0.166CC..Hα-helixtrans-59.6-38-178.600000112.1W156 K157 I162 T163 E164 H188 A191 F192W156-A160 WeakPolarHBondContact O-CB 3.38Å; W156-A160 PolarHBondContact O-N 3.4Å; K157-A160 PolarHBondContact O-N 3.28Å; A160-I162 PolarHBondContact O-N 3.1Å; A160-T163 PolarHBondContact O-N 2.98Å; A160-E164 WeakPolarHBondContact O-CB 3.39Å; A160-E164 PolarHBondContact O-N 3.08Å; A160-H188 HydrophobicContact CB-CB 4.08Å; A160-A191 HydrophobicContact CB-CB 3.74Å; A160-F192 HydrophobicContact CB-CE2 4.11Å; A160-F192 HydrophobicContact CB-CZ 4.15Å
161A97.1Very high96.5Very high38 Ų3832.9 Ų32.931%0.31417%0.167SC..Hα-helixtrans-62.6-27.5176.900000113.3A130 K157 V159 Q165A130-A161 HydrophobicContact CB-CB 3.78Å; A130-A161 WeakPolarHBondContact CB-O 3.28Å; K157-A161 WeakPolarHBondContact O-CB 3.29Å; K157-A161 PolarHBondContact O-N 3.08Å; V159-A161 VanDerWaalsContact C-N 3.28Å; V159-A161 PolarHBondContact O-N 3.49Å; A161-Q165 PolarHBondContact O-NE2 3.18Å
162I98.2Very high96.5Very high0 Ų032.9 Ų32.90%017%0.167CC..Hα-helixtrans-79.1-54.4172.6-63.9168.7000109.3F77 V127 A130 I136 L146 L148 L153 V159 A160 E164 Q165 L166F77-I162 HydrophobicContact CB-CD1 4.26Å; F77-I162 HydrophobicContact CB-CG1 4.32Å; F77-I162 HydrophobicContact CD2-CD1 4.46Å; F77-I162 HydrophobicContact CD2-CG2 3.96Å; F77-I162 HydrophobicContact CE2-CG2 4.27Å; F77-I162 HydrophobicContact CG-CG2 4.23Å; V127-I162 HydrophobicContact CG1-CD1 4.21Å; A130-I162 HydrophobicContact CB-CG1 3.73Å; I136-I162 HydrophobicContact CD1-CB 4.35Å; I136-I162 HydrophobicContact CD1-CG1 4.29Å; I136-I162 HydrophobicContact CD1-CG2 4.12Å; L146-I162 HydrophobicContact CD2-CG2 3.93Å; L148-I162 HydrophobicContact CD1-CD1 4.2Å; L153-I162 HydrophobicContact CD1-CD1 4.19Å; L153-I162 HydrophobicContact CD2-CD1 4Å; V159-I162 WeakPolarHBondContact O-CB 3.36Å; V159-I162 PolarHBondContact O-N 3.23Å; A160-I162 PolarHBondContact O-N 3.1Å; I162-E164 PolarHBondContact O-N 2.87Å; I162-Q165 WeakPolarHBondContact O-CB 3.45Å; I162-Q165 PolarHBondContact O-N 3.38Å; I162-Q165 VanDerWaalsContact O-N 3.14Å; I162-L166 HydrophobicContact CG2-CD1 4.33Å
163T97.8Very high96.5Very high3 Ų333.7 Ų33.72%0.01817%0.171CC..Hα-helixtrans-71.7-28.6-169.664.20000113.6V159 A160 Q165 L166 L169 L172 A191 F192V159-T163 HydrophobicContact CG1-CG2 4.18Å; V159-T163 PolarHBondContact O-N 3.23Å; V159-T163 PolarHBondContact O-OG1 2.86Å; A160-T163 PolarHBondContact O-N 2.98Å; T163-Q165 PolarHBondContact O-N 3.21Å; T163-Q165 VanDerWaalsContact O-N 3.1Å; T163-L166 PolarHBondContact O-N 3.31Å; T163-L169 HydrophobicContact CG2-CD2 3.52Å; T163-L172 HydrophobicContact CG2-CD2 4.07Å; T163-A191 CarbonylContact C-O 3.57Å; T163-A191 VanDerWaalsContact CB-O 3.29Å; T163-A191 WeakPolarHBondContact CB-O 3.4Å; T163-A191 PolarHBondContact OG1-O 2.78Å; T163-F192 HydrophobicContact CG2-CD1 4.29Å; T163-F192 HydrophobicContact CG2-CE1 3.81Å; T163-F192 VanDerWaalsContact OG1-CE1 3.25Å; T163-F192 WeakPolarHBondContact OG1-CE1 3.4Å
164E97.2Very high96.6Very high111 Ų11133.7 Ų33.752%0.51917%0.171SC..THydrogen-bonded Turntrans-61.6-18.4173.3-171.5173.8-156.800112.8R137 A160 I162 A191R137-E164 PolarHBondContact NH2-O 3.08Å; A160-E164 WeakPolarHBondContact O-CB 3.39Å; A160-E164 PolarHBondContact O-N 3.08Å; I162-E164 PolarHBondContact O-N 2.87Å; E164-A191 HydrophobicContact CB-CB 3.82Å
165Q97.3Very high96.8Very high21 Ų2133.3 Ų33.310%0.09817%0.168CC..THydrogen-bonded Turntrans-92.9-6176.2-60.6-175.966.400113.3I136 R137 A161 I162 T163I136-Q165 HydrophobicContact CB-CB 3.76Å; I136-Q165 HydrophobicContact CB-CG 4.41Å; I136-Q165 HydrophobicContact CG2-CB 3.96Å; R137-Q165 WeakPolarHBondContact CA-O 3.34Å; R137-Q165 HydrophobicContact CB-CB 4.17Å; R137-Q165 WeakPolarHBondContact CB-O 3.33Å; A161-Q165 PolarHBondContact O-NE2 3.18Å; I162-Q165 WeakPolarHBondContact O-CB 3.45Å; I162-Q165 PolarHBondContact O-N 3.38Å; I162-Q165 VanDerWaalsContact O-N 3.14Å; T163-Q165 PolarHBondContact O-N 3.21Å; T163-Q165 VanDerWaalsContact O-N 3.1Å
166L97.3Very high96.9Very high5 Ų534.5 Ų34.53%0.02618%0.175CC..  trans-111.879.5-176.6-61.1178.6000110.4I136 T140 V143 L146 I162 T163 K168 L169I136-L166 HydrophobicContact CG2-CD2 3.49Å; I136-L166 VanDerWaalsContact CG2-CD2 3.49Å; I136-L166 HydrophobicContact CG2-CG 4Å; T140-L166 WeakPolarHBondContact O-CD2 3.35Å; V143-L166 HydrophobicContact CB-CD2 4.12Å; V143-L166 HydrophobicContact CG1-CD1 4.28Å; L146-L166 HydrophobicContact CD2-CD1 3.8Å; I162-L166 HydrophobicContact CG2-CD1 4.33Å; T163-L166 PolarHBondContact O-N 3.31Å; L166-K168 PolarHBondContact O-N 3.45Å; L166-K168 VanDerWaalsContact O-N 3.09Å; L166-L169 HydrophobicContact CB-CB 3.89Å; L166-L169 HydrophobicContact CD1-CD1 4.33Å; L166-L169 HydrophobicContact CD1-CD2 4.45Å; L166-L169 VanDerWaalsContact O-CB 3.27Å; L166-L169 WeakPolarHBondContact O-CB 3Å; L166-L169 PolarHBondContact O-N 3.12Å
167D95.4Very high96.8Very high85 Ų8534.5 Ų34.546%0.45518%0.175SC..THydrogen-bonded Turntrans-60.4-27.3-171.6-59.3-40.4000114.2R137 N194R137-D167 IonicContact CZ-OD1 3.1Å; R137-D167 IonicContact CZ-OD2 3.85Å; R137-D167 IonicContact NH1-OD1 2.61Å; R137-D167 PolarHBondContact NH1-OD1 3.01Å; R137-D167 IonicContact NH1-OD2 3.83Å; R137-D167 PolarHBondContact NH1-OD2 3.16Å; R137-D167 IonicContact NH2-OD1 2.76Å; R137-D167 PolarHBondContact NH2-OD1 3.48Å; R137-D167 IonicContact NH2-OD2 3.35Å; D167-N194 PolarHBondContact O-ND2 3.23Å
168K96.3Very high96.7Very high101 Ų10130.3 Ų30.344%0.43916%0.155SC..THydrogen-bonded Turntrans-93.72.4-178.6-59.9-170.4-176.7175.40113.1N142 V143 Q144 L166 E170N142-K168 PolarHBondContact OD1-NZ 3.34Å; V143-K168 CarbonylContact O-C 3.52Å; Q144-K168 WeakPolarHBondContact CA-O 3.42Å; Q144-K168 HydrophobicContact CG-CB 3.76Å; Q144-K168 VanDerWaalsContact CG-O 3.28Å; Q144-K168 WeakPolarHBondContact CG-O 3.45Å; L166-K168 PolarHBondContact O-N 3.45Å; L166-K168 VanDerWaalsContact O-N 3.09Å; K168-E170 WeakPolarHBondContact O-CG 3.43Å; K168-E170 PolarHBondContact O-N 3.17Å; K168-E170 VanDerWaalsContact O-N 3.14Å
169L97.6Very high96.7Very high8 Ų828.9 Ų28.94%0.04215%0.148CC..  trans-63.1117.4-176.2-170.372.1000111.2V143 L146 T163 L166 G171 N194V143-L169 HydrophobicContact CG1-CD1 4.35Å; V143-L169 PolarHBondContact O-N 2.97Å; L146-L169 HydrophobicContact CB-CD1 3.66Å; T163-L169 HydrophobicContact CG2-CD2 3.52Å; L166-L169 HydrophobicContact CB-CB 3.89Å; L166-L169 HydrophobicContact CD1-CD1 4.33Å; L166-L169 HydrophobicContact CD1-CD2 4.45Å; L166-L169 VanDerWaalsContact O-CB 3.27Å; L166-L169 WeakPolarHBondContact O-CB 3Å; L166-L169 PolarHBondContact O-N 3.12Å; L169-G171 WeakPolarHBondContact CD1-O 3.45Å; L169-N194 CarbonylContact O-C 3.14Å
170E96.9Very high96.4Very high64 Ų6431.7 Ų31.730%0.29917%0.167SC..  trans-111.6-27.6177.5-56.8-157156.700112.3Q144 K168 K196 L197Q144-E170 PolarHBondContact O-N 3.42Å; K168-E170 WeakPolarHBondContact O-CG 3.43Å; K168-E170 PolarHBondContact O-N 3.17Å; K168-E170 VanDerWaalsContact O-N 3.14Å; E170-K196 PolarHBondContact O-N 2.89Å; E170-K196 IonicContact OE1-NZ 3.61Å; E170-K196 PolarHBondContact OE1-NZ 3.34Å; E170-K196 IonicContact OE2-NZ 3.56Å; E170-K196 PolarHBondContact OE2-NZ 3.31Å; E170-L197 PolarHBondContact O-N 3.09Å
171G97.3Very high96.1Very high3 Ų334.7 Ų34.73%0.03118%0.182CC..EExtended strand (participates in β ladder)trans-130.4135-179.400000113.4Q144 W145 L146 L169 L197Q144-G171 PolarHBondContact O-N 3.12Å; W145-G171 WeakPolarHBondContact CA-O 3.32Å; W145-G171 VanDerWaalsContact CE3-CA 3.47Å; L146-G171 PolarHBondContact N-O 3.2Å; L169-G171 WeakPolarHBondContact CD1-O 3.45Å; G171-L197 WeakPolarHBondContact CA-O 3.41Å
172L98.1Very high95.7Very high0 Ų034.4 Ų34.40%018%0.177CC..EExtended strand (participates in β ladder)trans-135.3127.8-176.5179.860.6000110.3L146 V159 T163 L174 F192 L195 L197 L198 A199L146-L172 HydrophobicContact CB-CD1 4.11Å; L146-L172 HydrophobicContact CD2-CD1 4.16Å; L146-L172 HydrophobicContact CG-CD1 4.08Å; L146-L172 WeakPolarHBondContact O-CA 3.49Å; V159-L172 HydrophobicContact CG1-CD2 4.09Å; T163-L172 HydrophobicContact CG2-CD2 4.07Å; L172-L174 HydrophobicContact CD1-CD1 4.49Å; L172-L174 HydrophobicContact CD1-CD2 4.34Å; L172-L174 HydrophobicContact CD1-CG 4.11Å; L172-L174 HydrophobicContact CD2-CD1 3.67Å; L172-L174 HydrophobicContact CD2-CG 4.18Å; L172-L174 HydrophobicContact CG-CD1 3.92Å; L172-L174 HydrophobicContact CG-CG 3.88Å; L172-F192 HydrophobicContact CD2-CD1 4.26Å; L172-F192 HydrophobicContact CD2-CE1 3.89Å; L172-L195 HydrophobicContact CB-CD1 3.53Å; L172-L195 HydrophobicContact CB-CD2 4.35Å; L172-L197 PolarHBondContact N-O 2.92Å; L172-L198 HydrophobicContact CB-CD1 4.22Å; L172-L198 HydrophobicContact CD2-CD1 4.26Å; L172-L198 HydrophobicContact CG-CD1 4.22Å; L172-L198 WeakPolarHBondContact O-CA 3.39Å; L172-A199 PolarHBondContact O-N 2.85Å
173Q97.6Very high95.3Very high19 Ų1940.6 Ų40.69%0.08922%0.22CC..EExtended strand (participates in β ladder)trans-117117.6179.3171.661.6-76.100108.8I99 W145 L146 D147 L148 S149 S175 A199I99-Q173 HydrophobicContact CD1-CB 4.13Å; W145-Q173 HydrophobicContact CZ2-CB 4.01Å; L146-Q173 PolarHBondContact O-N 3.29Å; D147-Q173 HydrophobicContact CB-CB 4.16Å; D147-Q173 HydrophobicContact CB-CG 4.3Å; D147-Q173 VanDerWaalsContact CG-CG 3.49Å; D147-Q173 WeakPolarHBondContact OD1-CG 3.39Å; L148-Q173 PolarHBondContact N-O 2.88Å; S149-Q173 WeakPolarHBondContact OG-CG 3.48Å; Q173-S175 VanDerWaalsContact OE1-CB 3.28Å; Q173-S175 PolarHBondContact OE1-OG 2.87Å; Q173-A199 VanDerWaalsContact CD-CB 3.45Å; Q173-A199 VanDerWaalsContact NE2-CB 3.34Å; Q173-A199 PolarHBondContact OE1-O 2.8Å
174L97.6Very high95Very high0 Ų044.1 Ų44.10%024%0.239CC..  trans-127.418.9-174-73.8170.1000111.9L148 L153 W156 V159 L172 N177 I179 L198 A199 L200 C203L148-L174 HydrophobicContact CB-CD2 3.86Å; L148-L174 HydrophobicContact CD1-CD2 4.43Å; L153-L174 HydrophobicContact CD1-CD2 4.46Å; W156-L174 HydrophobicContact CH2-CD1 3.93Å; W156-L174 HydrophobicContact CZ3-CD1 3.86Å; V159-L174 HydrophobicContact CG1-CD1 3.96Å; V159-L174 HydrophobicContact CG1-CD2 4.44Å; V159-L174 HydrophobicContact CG2-CD1 4.41Å; V159-L174 HydrophobicContact CG2-CD2 4.36Å; L172-L174 HydrophobicContact CD1-CD1 4.49Å; L172-L174 HydrophobicContact CD1-CD2 4.34Å; L172-L174 HydrophobicContact CD1-CG 4.11Å; L172-L174 HydrophobicContact CD2-CD1 3.67Å; L172-L174 HydrophobicContact CD2-CG 4.18Å; L172-L174 HydrophobicContact CG-CD1 3.92Å; L172-L174 HydrophobicContact CG-CG 3.88Å; L174-N177 WeakPolarHBondContact O-CB 3.42Å; L174-N177 PolarHBondContact O-ND2 3.43Å; L174-I179 HydrophobicContact CB-CD1 4.33Å; L174-I179 HydrophobicContact CD1-CD1 4Å; L174-I179 HydrophobicContact CD2-CD1 4.28Å; L174-I179 HydrophobicContact CG-CD1 4.45Å; L174-L198 HydrophobicContact CD1-CD1 4.28Å; L174-A199 PolarHBondContact N-O 3.42Å; L174-L200 HydrophobicContact CB-CD2 3.71Å; L174-L200 HydrophobicContact CD1-CD2 4.12Å; L174-C203 PolarHBondContact O-SG 3.09Å
175S97.1Very high94.8Very high8 Ų839.9 Ų39.96%0.05622%0.221CC..THydrogen-bonded Turntrans-57.5154.4-177.1-64.90000112.9S149 G150 Q173 N177 N201S149-S175 CarbonylContact C-O 3.31Å; S149-S175 WeakPolarHBondContact CA-O 3.42Å; S149-S175 VanDerWaalsContact CB-O 3.3Å; S149-S175 WeakPolarHBondContact CB-O 3.4Å; G150-S175 PolarHBondContact N-O 2.89Å; Q173-S175 VanDerWaalsContact OE1-CB 3.28Å; Q173-S175 PolarHBondContact OE1-OG 2.87Å; S175-N177 PolarHBondContact O-N 2.63Å; S175-N201 CarbonylContact C-O 3.47Å; S175-N201 WeakPolarHBondContact CA-O 3.24Å; S175-N201 WeakPolarHBondContact CB-O 3.41Å; S175-N201 VanDerWaalsContact OG-CB 3.24Å; S175-N201 WeakPolarHBondContact OG-CB 3.36Å; S175-N201 PolarHBondContact OG-N 3.3Å
176V95.5Very high94.7Very high65 Ų6546.2 Ų46.239%0.39424%0.244SC..THydrogen-bonded Turntrans60.627.2178.5-156.70000112.9G150 N201 N202G150-V176 WeakPolarHBondContact CA-O 3.47Å; V176-N201 PolarHBondContact N-O 3.17Å; V176-N202 HydrophobicContact CG2-CB 4.21Å
177N95.4Very high94.5Very high1 Ų149 Ų491%0.00527%0.268CS..  trans-106.6160.1172.5-73.1-53.2000112.4R9 L148 G150 S151 L174 S175 I179 C203R9-N177 PolarHBondContact NH1-OD1 3.05Å; L148-N177 PolarHBondContact O-ND2 3.17Å; G150-N177 PolarHBondContact N-OD1 2.87Å; S151-N177 PolarHBondContact N-OD1 2.74Å; S151-N177 PolarHBondContact O-OD1 2.81Å; S151-N177 PolarHBondContact OG-OD1 3.45Å; S151-N177 VanDerWaalsContact OG-OD1 3.13Å; L174-N177 WeakPolarHBondContact O-CB 3.42Å; L174-N177 PolarHBondContact O-ND2 3.43Å; S175-N177 PolarHBondContact O-N 2.63Å; N177-I179 HydrophobicContact CB-CD1 4.15Å; N177-I179 HydrophobicContact CB-CG1 4.01Å; N177-C203 WeakPolarHBondContact O-CA 3.28Å
178R92.3Very high94.5Very high59 Ų5946.4 Ų46.422%0.22325%0.253CS..  trans-117.571.4173.7-70-169.7169.7171.1-7.2110.2W37 D38 R58W37-R178 PolarHBondContact O-NH1 3.27Å; W37-R178 PolarHBondContact O-NH2 2.75Å; D38-R178 VanDerWaalsContact CA-CZ 3.43Å; D38-R178 VanDerWaalsContact CA-NH2 3.35Å; D38-R178 PolarHBondContact O-NH2 3.45Å; D38-R178 WeakPolarHBondContact OD1-CD 3.48Å; D38-R178 IonicContact OD1-CZ 2.87Å; D38-R178 IonicContact OD1-NE 2.81Å; D38-R178 PolarHBondContact OD1-NE 2.93Å; D38-R178 IonicContact OD1-NH1 2.74Å; D38-R178 PolarHBondContact OD1-NH1 3.01Å; D38-R178 IonicContact OD1-NH2 3.27Å; R58-R178 VanDerWaalsContact NH2-NH1 3.17Å
179I94.3Very high94.5Very high11 Ų1147 Ų476%0.05625%0.252CS..PPolyproline II helixtrans-84.1124-178.4-61.6166.1000108.7S154 W156 V159 L174 N177 F205S154-I179 WeakPolarHBondContact O-CA 3.49Å; W156-I179 HydrophobicContact CB-CG2 4.47Å; W156-I179 HydrophobicContact CD2-CG2 3.93Å; W156-I179 HydrophobicContact CG-CG2 3.78Å; V159-I179 HydrophobicContact CG2-CD1 3.99Å; L174-I179 HydrophobicContact CB-CD1 4.33Å; L174-I179 HydrophobicContact CD1-CD1 4Å; L174-I179 HydrophobicContact CD2-CD1 4.28Å; L174-I179 HydrophobicContact CG-CD1 4.45Å; N177-I179 HydrophobicContact CB-CD1 4.15Å; N177-I179 HydrophobicContact CB-CG1 4.01Å; I179-F205 HydrophobicContact CB-CZ 4.33Å
180S92Very high94.4Very high58 Ų5853 Ų5341%0.40628%0.28SS..BIsolated β-bridgetrans-71.4147.9174.471.20000111.2S154S154-S180 PolarHBondContact O-N 3.47Å; S154-S180 PolarHBondContact O-OG 3.06Å
181L90.9Very high94.3Very high69 Ų6950.5 Ų50.536%0.36127%0.27SS..PPolyproline II helixtrans-57.1152.6170.6-57.7172000111F205 Q209L181-F205 HydrophobicContact CD2-CD1 4.46Å; L181-F205 HydrophobicContact CD2-CE1 3.93Å; L181-Q209 HydrophobicContact CD1-CG 3.85Å; L181-Q209 HydrophobicContact CD2-CB 3.82Å; L181-Q209 HydrophobicContact CD2-CG 3.94Å; L181-Q209 HydrophobicContact CG-CG 4.45Å
182T88.8Confident94.3Very high32 Ų3250.5 Ų50.520%0.19627%0.269CS..PPolyproline II helixtrans-101.4143.5172.2178.50000109.5W156 D184 P185 H188 M216W156-T182 HydrophobicContact CB-CG2 4.41Å; T182-D184 PolarHBondContact OG1-N 3.11Å; T182-D184 PolarHBondContact OG1-O 2.74Å; T182-P185 HydrophobicContact CG2-CB 4.17Å; T182-P185 HydrophobicContact CG2-CG 3.91Å; T182-H188 PolarHBondContact OG1-NE2 2.91Å; T182-M216 HydrophobicContact CG2-CE 4.46Å; T182-M216 HydrophobicContact CG2-SD 4.35Å
183S88.8Confident94.2Very high130 Ų13051.9 Ų51.991%0.90928%0.279SS*.SBendtrans-73.1-19.3173.1550000112.8
184D92.2Very high94.1Very high77 Ų7753.8 Ų53.841%0.41229%0.29SS..  trans-137.187.4177.8-1740.9000110.8T182 W186 A187T182-D184 PolarHBondContact OG1-N 3.11Å; T182-D184 PolarHBondContact OG1-O 2.74Å; D184-W186 PolarHBondContact O-N 2.74Å; D184-W186 WeakPolarHBondContact OD1-CB 3Å; D184-W186 PolarHBondContact OD1-N 2.61Å; D184-A187 HydrophobicContact CB-CB 4.18Å; D184-A187 PolarHBondContact O-N 3.5Å; D184-A187 PolarHBondContact OD1-N 3.33Å; D184-A187 WeakPolarHBondContact OD2-CB 3.37Å
185P93.3Very high94.2Very high22 Ų2253.9 Ų53.914%0.14329%0.29CS..SBendtrans-59.5-31.1173.6-2332.3000113.1T182 A187 H188 E212 P215 M216T182-P185 HydrophobicContact CG2-CB 4.17Å; T182-P185 HydrophobicContact CG2-CG 3.91Å; P185-A187 VanDerWaalsContact C-N 3.32Å; P185-A187 PolarHBondContact O-N 3.49Å; P185-H188 PolarHBondContact O-N 3.31Å; P185-E212 WeakPolarHBondContact CB-O 3.49Å; P185-E212 WeakPolarHBondContact CG-O 3.42Å; P185-P215 HydrophobicContact CB-CB 4.39Å; P185-M216 HydrophobicContact CB-CG 4.07Å; P185-M216 WeakPolarHBondContact O-CG 2.97Å
186W93.5Very high94.2Very high154 Ų15457 Ų5758%0.58330%0.303SS*.G310 helixtrans-70.2-31.3-176.1-67.888.8000112.3D184 H188 R189 P215D184-W186 PolarHBondContact O-N 2.74Å; D184-W186 WeakPolarHBondContact OD1-CB 3Å; D184-W186 PolarHBondContact OD1-N 2.61Å; W186-H188 PolarHBondContact O-N 3.44Å; W186-H188 VanDerWaalsContact O-N 3.16Å; W186-R189 VanDerWaalsContact O-CB 3.25Å; W186-R189 WeakPolarHBondContact O-CB 3.48Å; W186-R189 PolarHBondContact O-N 2.92Å; W186-R189 VanDerWaalsContact O-N 3.11Å; W186-P215 HydrophobicContact CD2-CB 4.01Å; W186-P215 HydrophobicContact CE3-CB 4.49Å; W186-P215 HydrophobicContact CG-CB 4.45Å; W186-P215 HydrophobicContact CH2-CB 4.37Å; W186-P215 HydrophobicContact CZ2-CB 3.87Å; W186-P215 HydrophobicContact CZ2-CG 4.27Å
187A94.4Very high94.3Very high63 Ų6354.6 Ų54.652%0.52129%0.287SS..G310 helixtrans-57.2-27.8175.200000113.4D184 P185D184-A187 HydrophobicContact CB-CB 4.18Å; D184-A187 PolarHBondContact O-N 3.5Å; D184-A187 PolarHBondContact OD1-N 3.33Å; D184-A187 WeakPolarHBondContact OD2-CB 3.37Å; P185-A187 VanDerWaalsContact C-N 3.32Å; P185-A187 PolarHBondContact O-N 3.49Å
188H94.6Very high94.5Very high31 Ų3154.5 Ų54.514%0.14429%0.287CS..G310 helixtrans-98.80.6-178.4-54.8-49.1000113.7A160 T182 P185 W186 Q190 A191 F192 M216A160-H188 HydrophobicContact CB-CB 4.08Å; T182-H188 PolarHBondContact OG1-NE2 2.91Å; P185-H188 PolarHBondContact O-N 3.31Å; W186-H188 PolarHBondContact O-N 3.44Å; W186-H188 VanDerWaalsContact O-N 3.16Å; H188-Q190 PolarHBondContact O-N 2.87Å; H188-Q190 VanDerWaalsContact O-N 3.16Å; H188-A191 WeakPolarHBondContact O-CB 3.44Å; H188-A191 PolarHBondContact O-N 2.81Å; H188-F192 HydrophobicContact CB-CD2 4.37Å; H188-F192 HydrophobicContact CB-CE2 3.95Å; H188-F192 VanDerWaalsContact O-CD2 3.27Å; H188-F192 WeakPolarHBondContact O-CD2 3.38Å; H188-M216 HydrophobicContact CB-CG 4.04Å; H188-M216 HydrophobicContact CB-SD 3.8Å
189R95.5Very high94.7Very high112 Ų11251.7 Ų51.742%0.42328%0.276SS..G310 helixtrans-56-36.3-175.9-173.7175.9-172.4-154.93.9113.6W186 A191 F192 S193 P215 P218W186-R189 VanDerWaalsContact O-CB 3.25Å; W186-R189 WeakPolarHBondContact O-CB 3.48Å; W186-R189 PolarHBondContact O-N 2.92Å; W186-R189 VanDerWaalsContact O-N 3.11Å; R189-A191 VanDerWaalsContact C-N 3.33Å; R189-F192 PolarHBondContact O-N 2.8Å; R189-S193 PolarHBondContact O-N 3.02Å; R189-P215 WeakPolarHBondContact CG-O 3.27Å; R189-P218 HydrophobicContact CG-CG 4.2Å
190Q95.6Very high94.9Very high136 Ų13651.2 Ų51.264%0.63627%0.274SS*.G310 helixtrans-67.2-36.9179.7-17458.816.600112.1H188 F192 S193H188-Q190 PolarHBondContact O-N 2.87Å; H188-Q190 VanDerWaalsContact O-N 3.16Å; Q190-F192 PolarHBondContact O-N 2.97Å; Q190-F192 VanDerWaalsContact O-N 3.17Å; Q190-S193 WeakPolarHBondContact O-CB 3.03Å; Q190-S193 PolarHBondContact O-N 3.25Å; Q190-S193 PolarHBondContact O-OG 3.14Å
191A96.8Very high95.2Very high10 Ų1049.5 Ų49.58%0.08326%0.26CS..G310 helixtrans-65.8-16.5-178.600000113.7A160 T163 E164 H188 R189A160-A191 HydrophobicContact CB-CB 3.74Å; T163-A191 CarbonylContact C-O 3.57Å; T163-A191 VanDerWaalsContact CB-O 3.29Å; T163-A191 WeakPolarHBondContact CB-O 3.4Å; T163-A191 PolarHBondContact OG1-O 2.78Å; E164-A191 HydrophobicContact CB-CB 3.82Å; H188-A191 WeakPolarHBondContact O-CB 3.44Å; H188-A191 PolarHBondContact O-N 2.81Å; R189-A191 VanDerWaalsContact C-N 3.33Å
192F97.1Very high95.4Very high4 Ų449.8 Ų49.82%0.01826%0.262CS..G310 helixtrans-126.719.8179.6-50.5-77.3000112.5W156 V159 A160 T163 L172 H188 R189 Q190 N194 L195 M216 W217W156-F192 HydrophobicContact CE3-CE2 4.3Å; W156-F192 AromaticContact CE3-CZ 3.87Å; W156-F192 HydrophobicContact CE3-CZ 3.87Å; W156-F192 HydrophobicContact CZ3-CE1 4.39Å; W156-F192 HydrophobicContact CZ3-CZ 4.03Å; V159-F192 HydrophobicContact CB-CZ 4.31Å; V159-F192 HydrophobicContact CG1-CE1 3.75Å; V159-F192 HydrophobicContact CG1-CZ 3.78Å; A160-F192 HydrophobicContact CB-CE2 4.11Å; A160-F192 HydrophobicContact CB-CZ 4.15Å; T163-F192 HydrophobicContact CG2-CD1 4.29Å; T163-F192 HydrophobicContact CG2-CE1 3.81Å; T163-F192 VanDerWaalsContact OG1-CE1 3.25Å; T163-F192 WeakPolarHBondContact OG1-CE1 3.4Å; L172-F192 HydrophobicContact CD2-CD1 4.26Å; L172-F192 HydrophobicContact CD2-CE1 3.89Å; H188-F192 HydrophobicContact CB-CD2 4.37Å; H188-F192 HydrophobicContact CB-CE2 3.95Å; H188-F192 VanDerWaalsContact O-CD2 3.27Å; H188-F192 WeakPolarHBondContact O-CD2 3.38Å; R189-F192 PolarHBondContact O-N 2.8Å; Q190-F192 PolarHBondContact O-N 2.97Å; Q190-F192 VanDerWaalsContact O-N 3.17Å; F192-N194 PolarHBondContact O-N 3.09Å; F192-L195 HydrophobicContact CB-CB 4.17Å; F192-L195 HydrophobicContact CB-CD2 4.4Å; F192-L195 HydrophobicContact CD1-CD2 4.25Å; F192-L195 VanDerWaalsContact O-CB 3.28Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.86Å; F192-M216 WeakPolarHBondContact CB-O 3.46Å; F192-M216 HydrophobicContact CD2-CB 3.94Å; F192-M216 HydrophobicContact CD2-CG 4.44Å; F192-M216 HydrophobicContact CD2-SD 4.43Å; F192-M216 HydrophobicContact CE2-CB 4.44Å; F192-M216 HydrophobicContact CE2-SD 4Å; F192-W217 AromaticContact CG-CD1 3.94Å
193S95.2Very high95.7Very high28 Ų2848.7 Ų48.720%0.19626%0.255CS..THydrogen-bonded Turntrans-63.5-23.6-171.955.90000114.8R189 Q190 R219R189-S193 PolarHBondContact O-N 3.02Å; Q190-S193 WeakPolarHBondContact O-CB 3.03Å; Q190-S193 PolarHBondContact O-N 3.25Å; Q190-S193 PolarHBondContact O-OG 3.14Å; S193-R219 WeakPolarHBondContact O-CD 3.35Å
194N96.1Very high95.8Very high60 Ų6046 Ų4632%0.32123%0.231SC..THydrogen-bonded Turntrans-102.7-0.8176.7-67-34.3000113.7D167 L169 F192 K196 R219D167-N194 PolarHBondContact O-ND2 3.23Å; L169-N194 CarbonylContact O-C 3.14Å; F192-N194 PolarHBondContact O-N 3.09Å; N194-K196 PolarHBondContact O-N 3.29Å; N194-R219 PolarHBondContact OD1-NH1 2.99Å
195L98Very high96Very high2 Ų242.7 Ų42.71%0.0121%0.213CC..  trans-68.4120.9-176.6-165.773.1000110.7L172 F192 L197 L198 W217 R219 L220L172-L195 HydrophobicContact CB-CD1 3.53Å; L172-L195 HydrophobicContact CB-CD2 4.35Å; F192-L195 HydrophobicContact CB-CB 4.17Å; F192-L195 HydrophobicContact CB-CD2 4.4Å; F192-L195 HydrophobicContact CD1-CD2 4.25Å; F192-L195 VanDerWaalsContact O-CB 3.28Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.86Å; L195-L197 WeakPolarHBondContact CD1-O 3.45Å; L195-L198 HydrophobicContact CD2-CB 4.14Å; L195-L198 HydrophobicContact CD2-CD1 4.34Å; L195-L198 HydrophobicContact CD2-CD2 4.44Å; L195-W217 HydrophobicContact CD2-CG 4.44Å; L195-R219 CarbonylContact O-C 3.32Å; L195-L220 HydrophobicContact CD2-CD1 4.3Å; L195-L220 HydrophobicContact CG-CD1 4.31Å; L195-L220 PolarHBondContact O-N 3.32Å
196K97.8Very high96.1Very high74 Ų7444.1 Ų44.132%0.32222%0.221SC..  trans-106.3-25.5176.1-62.6178.3-165.9157.60111.9E170 N194 E221 D222E170-K196 PolarHBondContact O-N 2.89Å; E170-K196 IonicContact OE1-NZ 3.61Å; E170-K196 PolarHBondContact OE1-NZ 3.34Å; E170-K196 IonicContact OE2-NZ 3.56Å; E170-K196 PolarHBondContact OE2-NZ 3.31Å; N194-K196 PolarHBondContact O-N 3.29Å; K196-E221 HydrophobicContact CB-CG 4.43Å; K196-E221 WeakPolarHBondContact O-CA 3.39Å; K196-E221 PolarHBondContact O-N 3.16Å; K196-D222 PolarHBondContact O-N 2.96Å
197L98.2Very high96.3Very high13 Ų1336.9 Ų36.97%0.06819%0.194CC..EExtended strand (participates in β ladder)trans-134.1128.4-172.7-174.6160.4000111I99 L104 W145 E170 G171 L172 L195 D222I99-L197 HydrophobicContact CB-CD1 3.97Å; I99-L197 HydrophobicContact CB-CD2 3.79Å; I99-L197 HydrophobicContact CB-CG 4.27Å; I99-L197 HydrophobicContact CD1-CD2 3.18Å; I99-L197 HydrophobicContact CD1-CG 4.46Å; I99-L197 HydrophobicContact CG1-CD2 3.89Å; I99-L197 HydrophobicContact CG2-CD1 3.86Å; I99-L197 HydrophobicContact CG2-CD2 3.56Å; I99-L197 HydrophobicContact CG2-CG 3.79Å; L104-L197 HydrophobicContact CD2-CD1 4.42Å; W145-L197 HydrophobicContact CH2-CD1 4.47Å; W145-L197 HydrophobicContact CH2-CD2 3.49Å; W145-L197 VanDerWaalsContact CH2-CD2 3.49Å; W145-L197 HydrophobicContact CZ3-CD1 4.07Å; W145-L197 HydrophobicContact CZ3-CD2 3.34Å; W145-L197 HydrophobicContact CZ3-CG 4.2Å; E170-L197 PolarHBondContact O-N 3.09Å; G171-L197 WeakPolarHBondContact CA-O 3.41Å; L172-L197 PolarHBondContact N-O 2.92Å; L195-L197 WeakPolarHBondContact CD1-O 3.45Å; L197-D222 WeakPolarHBondContact CA-O 3.44Å; L197-D222 HydrophobicContact CB-CB 4.21Å; L197-D222 HydrophobicContact CD1-CB 4.1Å; L197-D222 HydrophobicContact CG-CB 3.85Å
198L98.3Very high96.4Very high0 Ų037.9 Ų37.90%019%0.19CC..EExtended strand (participates in β ladder)trans-138131.6-178.9179.959.6000110.7L172 L174 L195 L200 W217 L220 D222 L223 S224L172-L198 HydrophobicContact CB-CD1 4.22Å; L172-L198 HydrophobicContact CD2-CD1 4.26Å; L172-L198 HydrophobicContact CG-CD1 4.22Å; L172-L198 WeakPolarHBondContact O-CA 3.39Å; L174-L198 HydrophobicContact CD1-CD1 4.28Å; L195-L198 HydrophobicContact CD2-CB 4.14Å; L195-L198 HydrophobicContact CD2-CD1 4.34Å; L195-L198 HydrophobicContact CD2-CD2 4.44Å; L198-L200 HydrophobicContact CD1-CD2 4.4Å; L198-L200 HydrophobicContact CD1-CG 4.14Å; L198-L200 HydrophobicContact CD2-CD1 3.82Å; L198-L200 HydrophobicContact CD2-CG 4.24Å; L198-L200 HydrophobicContact CG-CD1 4.14Å; L198-L200 HydrophobicContact CG-CG 4.03Å; L198-W217 HydrophobicContact CD2-CD2 3.57Å; L198-W217 HydrophobicContact CD2-CE3 3.78Å; L198-W217 HydrophobicContact CD2-CG 4.27Å; L198-W217 HydrophobicContact CD2-CH2 3.67Å; L198-W217 HydrophobicContact CD2-CZ2 3.45Å; L198-W217 VanDerWaalsContact CD2-CZ2 3.45Å; L198-W217 HydrophobicContact CD2-CZ3 3.82Å; L198-L220 HydrophobicContact CB-CD1 3.58Å; L198-L220 HydrophobicContact CB-CD2 4.23Å; L198-D222 PolarHBondContact N-O 3.17Å; L198-L223 HydrophobicContact CB-CD1 4.25Å; L198-L223 HydrophobicContact CD2-CD1 4.32Å; L198-L223 HydrophobicContact CG-CD1 4.27Å; L198-L223 WeakPolarHBondContact O-CA 3.22Å; L198-S224 PolarHBondContact O-N 3.27Å
199A98.3Very high96.5Very high0 Ų039 Ų390%020%0.195CC..EExtended strand (participates in β ladder)trans-120.5131.7166.100000111.7I99 L172 Q173 L174I99-A199 HydrophobicContact CD1-CB 3.33Å; I99-A199 HydrophobicContact CG1-CB 4.26Å; L172-A199 PolarHBondContact O-N 2.85Å; Q173-A199 VanDerWaalsContact CD-CB 3.45Å; Q173-A199 VanDerWaalsContact NE2-CB 3.34Å; Q173-A199 PolarHBondContact OE1-O 2.8Å; L174-A199 PolarHBondContact N-O 3.42Å
200L97.6Very high96.6Very high0 Ų033.7 Ų33.70%018%0.175CC..  trans-131.846.1179.5-66.9167.7000108.7W156 L174 L198 F205 I210 W217 S224 L225 N228W156-L200 HydrophobicContact CH2-CD1 4.28Å; W156-L200 HydrophobicContact CH2-CD2 4Å; W156-L200 HydrophobicContact CZ2-CD1 4.24Å; W156-L200 HydrophobicContact CZ2-CD2 4.22Å; L174-L200 HydrophobicContact CB-CD2 3.71Å; L174-L200 HydrophobicContact CD1-CD2 4.12Å; L198-L200 HydrophobicContact CD1-CD2 4.4Å; L198-L200 HydrophobicContact CD1-CG 4.14Å; L198-L200 HydrophobicContact CD2-CD1 3.82Å; L198-L200 HydrophobicContact CD2-CG 4.24Å; L198-L200 HydrophobicContact CG-CD1 4.14Å; L198-L200 HydrophobicContact CG-CG 4.03Å; L200-F205 HydrophobicContact CB-CD2 4.4Å; L200-F205 HydrophobicContact CD1-CE2 4.45Å; L200-F205 HydrophobicContact CD2-CE2 4.2Å; L200-I210 HydrophobicContact CD1-CD1 3.82Å; L200-W217 HydrophobicContact CD1-CH2 3.86Å; L200-W217 HydrophobicContact CD1-CZ2 4.25Å; L200-S224 PolarHBondContact N-O 3.21Å; L200-L225 HydrophobicContact CB-CD2 3.97Å; L200-L225 HydrophobicContact CD1-CD2 4.45Å; L200-N228 PolarHBondContact O-ND2 3.05Å
201N97.6Very high96.6Very high22 Ų2228.4 Ų28.412%0.11815%0.151CC..THydrogen-bonded Turntrans-72146.9-179.2-53.2-26.5000109.2S175 V176 C203 S224 L225 E226S175-N201 CarbonylContact C-O 3.47Å; S175-N201 WeakPolarHBondContact CA-O 3.24Å; S175-N201 WeakPolarHBondContact CB-O 3.41Å; S175-N201 VanDerWaalsContact OG-CB 3.24Å; S175-N201 WeakPolarHBondContact OG-CB 3.36Å; S175-N201 PolarHBondContact OG-N 3.3Å; V176-N201 PolarHBondContact N-O 3.17Å; N201-C203 PolarHBondContact O-N 3.25Å; N201-C203 VanDerWaalsContact O-N 3.14Å; N201-C203 PolarHBondContact O-SG 2.78Å; N201-S224 VanDerWaalsContact OD1-CB 3.28Å; N201-S224 WeakPolarHBondContact OD1-CB 3.47Å; N201-S224 PolarHBondContact OD1-O 3.43Å; N201-S224 PolarHBondContact OD1-OG 3.31Å; N201-L225 PolarHBondContact OD1-N 3.02Å; N201-E226 CarbonylContact C-O 3.58Å; N201-E226 WeakPolarHBondContact CA-O 3.38Å; N201-E226 HydrophobicContact CB-CB 4.16Å; N201-E226 WeakPolarHBondContact CB-O 3.38Å; N201-E226 PolarHBondContact OD1-N 3.43Å
202N95.9Very high96.6Very high76 Ų7633 Ų3341%0.40617%0.171SC..THydrogen-bonded Turntrans54.235.1176.8-70.594.6000114.6V176 E226 N227V176-N202 HydrophobicContact CG2-CB 4.21Å; N202-E226 PolarHBondContact N-O 3.36Å; N202-N227 WeakPolarHBondContact CA-O 3.47Å; N202-N227 VanDerWaalsContact ND2-CG 3.31Å; N202-N227 PolarHBondContact ND2-ND2 3.27Å; N202-N227 PolarHBondContact ND2-O 2.95Å
203C94.8Very high96.6Very high8 Ų832.9 Ų32.95%0.05417%0.171CC..SBendtrans-104-0.7-176.7-70.40000114L174 N177 N201 F205 N228L174-C203 PolarHBondContact O-SG 3.09Å; N177-C203 WeakPolarHBondContact O-CA 3.28Å; N201-C203 PolarHBondContact O-N 3.25Å; N201-C203 VanDerWaalsContact O-N 3.14Å; N201-C203 PolarHBondContact O-SG 2.78Å; C203-F205 VanDerWaalsContact C-N 3.26Å; C203-F205 HydrophobicContact CB-CD2 3.46Å; C203-F205 VanDerWaalsContact CB-CD2 3.46Å; C203-F205 HydrophobicContact CB-CE2 3.72Å; C203-F205 PolarHBondContact O-N 3.48Å; C203-N228 PolarHBondContact N-OD1 3.16Å
204D91.8Very high96.7Very high75 Ų7531.7 Ų31.740%0.40116%0.163SC..  trans62.629.4-177.3-160.431.6000113.4R58 N228R58-D204 IonicContact CZ-OD2 3.99Å; R58-D204 IonicContact NH1-OD2 3.08Å; R58-D204 PolarHBondContact NH1-OD2 2.87Å; D204-N228 PolarHBondContact N-OD1 2.97Å
205F94.8Very high96.7Very high6 Ų629.8 Ų29.83%0.02615%0.154CC..  trans-81.6141.9174-78.5-66.6000111.8W156 I179 L181 L200 C203 Q209 I210 N228 I230W156-F205 HydrophobicContact CZ2-CZ 4.41Å; I179-F205 HydrophobicContact CB-CZ 4.33Å; L181-F205 HydrophobicContact CD2-CD1 4.46Å; L181-F205 HydrophobicContact CD2-CE1 3.93Å; L200-F205 HydrophobicContact CB-CD2 4.4Å; L200-F205 HydrophobicContact CD1-CE2 4.45Å; L200-F205 HydrophobicContact CD2-CE2 4.2Å; C203-F205 VanDerWaalsContact C-N 3.26Å; C203-F205 HydrophobicContact CB-CD2 3.46Å; C203-F205 VanDerWaalsContact CB-CD2 3.46Å; C203-F205 HydrophobicContact CB-CE2 3.72Å; C203-F205 PolarHBondContact O-N 3.48Å; F205-Q209 HydrophobicContact CD1-CB 3.93Å; F205-I210 HydrophobicContact CB-CD1 3.75Å; F205-I210 HydrophobicContact CB-CG1 4.06Å; F205-I210 HydrophobicContact CD1-CD1 4.31Å; F205-I210 HydrophobicContact CD2-CD1 4.08Å; F205-I210 HydrophobicContact CG-CD1 3.79Å; F205-N228 PolarHBondContact N-OD1 3.09Å; F205-I230 WeakPolarHBondContact O-CG1 3.38Å
206T96.6Very high96.7Very high52 Ų5229.7 Ų29.732%0.31915%0.153SC..  trans-88.6163162.173.30000110.5L208 Q209 I210T206-L208 VanDerWaalsContact C-N 3.35Å; T206-L208 PolarHBondContact O-N 2.93Å; T206-Q209 WeakPolarHBondContact O-CB 3.36Å; T206-Q209 PolarHBondContact O-N 2.85Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.45Å; T206-Q209 PolarHBondContact OG1-N 3.41Å; T206-I210 WeakPolarHBondContact O-CG1 3.07Å; T206-I210 PolarHBondContact O-N 3.18Å; T206-I210 VanDerWaalsContact O-N 3.12Å
207W97.6Very high96.6Very high2 Ų226.3 Ų26.31%0.00814%0.138CC..Hα-helixtrans-62.3-40.9177.5-177.8-107.8000112.7Q209 I210 L211 L225 I230 E232 L233 H234 L240 L246 L248 L261W207-Q209 VanDerWaalsContact C-N 3.29Å; W207-Q209 PolarHBondContact O-N 2.76Å; W207-I210 HydrophobicContact CZ3-CG2 4.47Å; W207-I210 WeakPolarHBondContact O-CA 3.31Å; W207-I210 WeakPolarHBondContact O-CB 2.94Å; W207-I210 PolarHBondContact O-N 3.21Å; W207-I210 VanDerWaalsContact O-N 3.08Å; W207-L211 HydrophobicContact CZ2-CD2 3.89Å; W207-L211 WeakPolarHBondContact O-CG 3.25Å; W207-L211 PolarHBondContact O-N 2.87Å; W207-L225 HydrophobicContact CE3-CD1 3.87Å; W207-L225 HydrophobicContact CZ3-CD1 3.63Å; W207-I230 HydrophobicContact CB-CG2 3.73Å; W207-E232 WeakPolarHBondContact CB-O 3.42Å; W207-L233 HydrophobicContact CB-CD2 4.19Å; W207-L233 HydrophobicContact CD2-CD2 3.62Å; W207-L233 HydrophobicContact CE3-CD2 3.92Å; W207-L233 HydrophobicContact CG-CD2 3.75Å; W207-H234 PolarHBondContact NE1-O 3.15Å; W207-L240 HydrophobicContact CH2-CD1 4.11Å; W207-L246 HydrophobicContact CH2-CD2 4.08Å; W207-L246 HydrophobicContact CZ3-CD1 4.3Å; W207-L246 HydrophobicContact CZ3-CD2 4.39Å; W207-L248 HydrophobicContact CE3-CD2 4.39Å; W207-L248 HydrophobicContact CZ3-CD2 4.35Å; W207-L261 HydrophobicContact CH2-CD2 4.02Å; W207-L261 HydrophobicContact CZ2-CD2 3.7Å
208L96.3Very high96.5Very high85 Ų8527.7 Ų27.745%0.44515%0.148SC..Hα-helixtrans-57.1-43.7176.2-76.5171.3000111.9T206 I210 L211 E212 H234T206-L208 VanDerWaalsContact C-N 3.35Å; T206-L208 PolarHBondContact O-N 2.93Å; L208-I210 VanDerWaalsContact C-N 3.3Å; L208-I210 PolarHBondContact O-N 2.86Å; L208-L211 WeakPolarHBondContact O-CB 3.49Å; L208-L211 PolarHBondContact O-N 3.19Å; L208-L211 VanDerWaalsContact O-N 3.12Å; L208-E212 WeakPolarHBondContact O-CG 3.42Å; L208-E212 PolarHBondContact O-N 2.9Å; L208-H234 HydrophobicContact CD2-CB 4.36Å; L208-H234 WeakPolarHBondContact CD2-CD2 3.35Å; L208-H234 VanDerWaalsContact CG-CD2 3.47Å; L208-H234 WeakPolarHBondContact CG-CD2 3.42Å
209Q96.4Very high96.5Very high54 Ų5434.6 Ų34.625%0.25217%0.174SC..Hα-helixtrans-63.8-36176.6-72.6174.7-22.700112.6L181 F205 T206 W207 E212 C213L181-Q209 HydrophobicContact CD1-CG 3.85Å; L181-Q209 HydrophobicContact CD2-CB 3.82Å; L181-Q209 HydrophobicContact CD2-CG 3.94Å; L181-Q209 HydrophobicContact CG-CG 4.45Å; F205-Q209 HydrophobicContact CD1-CB 3.93Å; T206-Q209 WeakPolarHBondContact O-CB 3.36Å; T206-Q209 PolarHBondContact O-N 2.85Å; T206-Q209 WeakPolarHBondContact OG1-CG 3.45Å; T206-Q209 PolarHBondContact OG1-N 3.41Å; W207-Q209 VanDerWaalsContact C-N 3.29Å; W207-Q209 PolarHBondContact O-N 2.76Å; Q209-E212 PolarHBondContact O-N 2.79Å; Q209-C213 PolarHBondContact O-N 3.42Å; Q209-C213 PolarHBondContact O-SG 2.92Å
210I97.6Very high96.5Very high0 Ų034.6 Ų34.60%017%0.174CC..Hα-helixtrans-64.4-43.4172-65.2-57.5000110.7L200 F205 T206 W207 L208 E212 C213 A214 W217 L223 L225L200-I210 HydrophobicContact CD1-CD1 3.82Å; F205-I210 HydrophobicContact CB-CD1 3.75Å; F205-I210 HydrophobicContact CB-CG1 4.06Å; F205-I210 HydrophobicContact CD1-CD1 4.31Å; F205-I210 HydrophobicContact CD2-CD1 4.08Å; F205-I210 HydrophobicContact CG-CD1 3.79Å; T206-I210 WeakPolarHBondContact O-CG1 3.07Å; T206-I210 PolarHBondContact O-N 3.18Å; T206-I210 VanDerWaalsContact O-N 3.12Å; W207-I210 HydrophobicContact CZ3-CG2 4.47Å; W207-I210 WeakPolarHBondContact O-CA 3.31Å; W207-I210 WeakPolarHBondContact O-CB 2.94Å; W207-I210 PolarHBondContact O-N 3.21Å; W207-I210 VanDerWaalsContact O-N 3.08Å; L208-I210 VanDerWaalsContact C-N 3.3Å; L208-I210 PolarHBondContact O-N 2.86Å; I210-E212 VanDerWaalsContact C-N 3.34Å; I210-E212 PolarHBondContact O-N 2.88Å; I210-C213 CarbonylContact O-C 3.32Å; I210-C213 PolarHBondContact O-N 3.31Å; I210-C213 VanDerWaalsContact O-N 3.16Å; I210-A214 WeakPolarHBondContact O-CB 3.5Å; I210-A214 PolarHBondContact O-N 2.88Å; I210-W217 HydrophobicContact CG2-CZ3 4.21Å; I210-L223 HydrophobicContact CG2-CD2 4.14Å; I210-L225 HydrophobicContact CD1-CD2 3.58Å; I210-L225 HydrophobicContact CG1-CD1 4.05Å; I210-L225 HydrophobicContact CG1-CD2 3.8Å; I210-L225 HydrophobicContact CG2-CD1 4.19Å
211L96.9Very high96.5Very high25 Ų2537.1 Ų37.113%0.13119%0.186CC..Hα-helixtrans-63.2-39.2176.4-63.8-174.8000112.2W207 L208 C213 A214 P215 H234 P236 V239 L240W207-L211 HydrophobicContact CZ2-CD2 3.89Å; W207-L211 WeakPolarHBondContact O-CG 3.25Å; W207-L211 PolarHBondContact O-N 2.87Å; L208-L211 WeakPolarHBondContact O-CB 3.49Å; L208-L211 PolarHBondContact O-N 3.19Å; L208-L211 VanDerWaalsContact O-N 3.12Å; L211-C213 VanDerWaalsContact C-N 3.29Å; L211-C213 PolarHBondContact O-N 2.87Å; L211-A214 WeakPolarHBondContact O-CB 3.36Å; L211-A214 PolarHBondContact O-N 3.44Å; L211-P215 WeakPolarHBondContact O-CD 3.46Å; L211-H234 HydrophobicContact CD1-CB 4.09Å; L211-P236 HydrophobicContact CD2-CB 3.72Å; L211-V239 HydrophobicContact CD2-CG2 3.96Å; L211-L240 HydrophobicContact CD2-CD1 4.19Å
212E96.2Very high96.6Very high106 Ų10636.4 Ų36.450%0.49518%0.182SC..Hα-helixtrans-60.8-38.6172.9-72.6172.6-167.500111.6P185 L208 Q209 I210 P215P185-E212 WeakPolarHBondContact CB-O 3.49Å; P185-E212 WeakPolarHBondContact CG-O 3.42Å; L208-E212 WeakPolarHBondContact O-CG 3.42Å; L208-E212 PolarHBondContact O-N 2.9Å; Q209-E212 PolarHBondContact O-N 2.79Å; I210-E212 VanDerWaalsContact C-N 3.34Å; I210-E212 PolarHBondContact O-N 2.88Å; E212-P215 VanDerWaalsContact O-CD 3.26Å; E212-P215 WeakPolarHBondContact O-CD 3.45Å
213C96.6Very high96.7Very high2 Ų232.8 Ų32.81%0.01416%0.163CC..Hα-helixtrans-78.8-26.5178.8-67.80000113.6Q209 I210 L211 P215 M216 W217Q209-C213 PolarHBondContact O-N 3.42Å; Q209-C213 PolarHBondContact O-SG 2.92Å; I210-C213 CarbonylContact O-C 3.32Å; I210-C213 PolarHBondContact O-N 3.31Å; I210-C213 VanDerWaalsContact O-N 3.16Å; L211-C213 VanDerWaalsContact C-N 3.29Å; L211-C213 PolarHBondContact O-N 2.87Å; C213-P215 VanDerWaalsContact C-N 3.32Å; C213-P215 WeakPolarHBondContact O-CD 3.43Å; C213-P215 VanDerWaalsContact O-N 3.13Å; C213-M216 HydrophobicContact CB-CE 3.43Å; C213-M216 VanDerWaalsContact CB-CE 3.43Å; C213-M216 VanDerWaalsContact O-CB 3.25Å; C213-M216 WeakPolarHBondContact O-CB 3.26Å; C213-M216 VanDerWaalsContact O-CE 3.28Å; C213-M216 WeakPolarHBondContact O-CE 3.48Å; C213-M216 WeakPolarHBondContact O-CG 3.33Å; C213-M216 PolarHBondContact O-N 2.93Å; C213-W217 HydrophobicContact CB-CH2 3.59Å; C213-W217 HydrophobicContact CB-CZ2 3.8Å; C213-W217 HydrophobicContact CB-CZ3 4.35Å
214A97.1Very high96.9Very high3 Ų332.5 Ų32.53%0.02516%0.161CC..G310 helixtrans-54.7-29.7-17200000116.5I210 L211 M216 W217 V239 L240I210-A214 WeakPolarHBondContact O-CB 3.5Å; I210-A214 PolarHBondContact O-N 2.88Å; L211-A214 WeakPolarHBondContact O-CB 3.36Å; L211-A214 PolarHBondContact O-N 3.44Å; A214-M216 PolarHBondContact O-N 3.16Å; A214-M216 VanDerWaalsContact O-N 3.09Å; A214-W217 HydrophobicContact CB-CE3 4.43Å; A214-W217 PolarHBondContact O-N 3.11Å; A214-V239 HydrophobicContact CB-CB 3.75Å; A214-V239 HydrophobicContact CB-CG1 4.16Å; A214-V239 HydrophobicContact CB-CG2 4.04Å; A214-L240 HydrophobicContact CB-CD1 4.41Å; A214-L240 HydrophobicContact CB-CD2 3.82Å; A214-L240 HydrophobicContact CB-CG 3.87Å
215P96.9Very high97.2Very high21 Ų2129 Ų2914%0.13614%0.142CC..G310 helixtrans-56.6-22.7172.6-27.236.5000114.3P185 W186 R189 L211 E212 C213 W217 V239P185-P215 HydrophobicContact CB-CB 4.39Å; W186-P215 HydrophobicContact CD2-CB 4.01Å; W186-P215 HydrophobicContact CE3-CB 4.49Å; W186-P215 HydrophobicContact CG-CB 4.45Å; W186-P215 HydrophobicContact CH2-CB 4.37Å; W186-P215 HydrophobicContact CZ2-CB 3.87Å; W186-P215 HydrophobicContact CZ2-CG 4.27Å; R189-P215 WeakPolarHBondContact CG-O 3.27Å; L211-P215 WeakPolarHBondContact O-CD 3.46Å; E212-P215 VanDerWaalsContact O-CD 3.26Å; E212-P215 WeakPolarHBondContact O-CD 3.45Å; C213-P215 VanDerWaalsContact C-N 3.32Å; C213-P215 WeakPolarHBondContact O-CD 3.43Å; C213-P215 VanDerWaalsContact O-N 3.13Å; P215-W217 VanDerWaalsContact C-N 3.27Å; P215-W217 PolarHBondContact O-N 3.44Å; P215-V239 HydrophobicContact CG-CG1 4.16Å
216M97.1Very high97.3Very high0 Ų032 Ų320%016%0.156CC..G310 helixtrans-64.5-28.9173.2-71.7-175.5-70.100112.8W156 T182 P185 H188 F192 C213 A214 P218W156-M216 HydrophobicContact CB-SD 4.33Å; W156-M216 HydrophobicContact CD2-CE 3.71Å; W156-M216 HydrophobicContact CD2-SD 4.21Å; W156-M216 HydrophobicContact CE3-CE 4.12Å; W156-M216 HydrophobicContact CE3-SD 4.3Å; W156-M216 HydrophobicContact CG-CE 3.93Å; W156-M216 HydrophobicContact CG-SD 4.22Å; W156-M216 HydrophobicContact CZ2-CE 4.4Å; T182-M216 HydrophobicContact CG2-CE 4.46Å; T182-M216 HydrophobicContact CG2-SD 4.35Å; P185-M216 HydrophobicContact CB-CG 4.07Å; P185-M216 WeakPolarHBondContact O-CG 2.97Å; H188-M216 HydrophobicContact CB-CG 4.04Å; H188-M216 HydrophobicContact CB-SD 3.8Å; F192-M216 WeakPolarHBondContact CB-O 3.46Å; F192-M216 HydrophobicContact CD2-CB 3.94Å; F192-M216 HydrophobicContact CD2-CG 4.44Å; F192-M216 HydrophobicContact CD2-SD 4.43Å; F192-M216 HydrophobicContact CE2-CB 4.44Å; F192-M216 HydrophobicContact CE2-SD 4Å; C213-M216 HydrophobicContact CB-CE 3.43Å; C213-M216 VanDerWaalsContact CB-CE 3.43Å; C213-M216 VanDerWaalsContact O-CB 3.25Å; C213-M216 WeakPolarHBondContact O-CB 3.26Å; C213-M216 VanDerWaalsContact O-CE 3.28Å; C213-M216 WeakPolarHBondContact O-CE 3.48Å; C213-M216 WeakPolarHBondContact O-CG 3.33Å; C213-M216 PolarHBondContact O-N 2.93Å; A214-M216 PolarHBondContact O-N 3.16Å; A214-M216 VanDerWaalsContact O-N 3.09Å; M216-P218 WeakPolarHBondContact O-CD 3.43Å
217W97.1Very high97.3Very high2 Ų233.2 Ų33.21%0.00816%0.161CC..  trans-116.467.9-167.3-38.6-47.6000112W156 F192 L195 L198 L200 I210 C213 A214 P215 R219 L220 L240W156-W217 AromaticContact CH2-CZ2 3.55Å; W156-W217 HydrophobicContact CH2-CZ2 3.55Å; W156-W217 HydrophobicContact CZ2-CH2 4.41Å; W156-W217 AromaticContact CZ2-CZ2 3.7Å; W156-W217 HydrophobicContact CZ2-CZ2 3.7Å; W156-W217 HydrophobicContact CZ3-CZ2 4.26Å; F192-W217 AromaticContact CG-CD1 3.94Å; L195-W217 HydrophobicContact CD2-CG 4.44Å; L198-W217 HydrophobicContact CD2-CD2 3.57Å; L198-W217 HydrophobicContact CD2-CE3 3.78Å; L198-W217 HydrophobicContact CD2-CG 4.27Å; L198-W217 HydrophobicContact CD2-CH2 3.67Å; L198-W217 HydrophobicContact CD2-CZ2 3.45Å; L198-W217 VanDerWaalsContact CD2-CZ2 3.45Å; L198-W217 HydrophobicContact CD2-CZ3 3.82Å; L200-W217 HydrophobicContact CD1-CH2 3.86Å; L200-W217 HydrophobicContact CD1-CZ2 4.25Å; I210-W217 HydrophobicContact CG2-CZ3 4.21Å; C213-W217 HydrophobicContact CB-CH2 3.59Å; C213-W217 HydrophobicContact CB-CZ2 3.8Å; C213-W217 HydrophobicContact CB-CZ3 4.35Å; A214-W217 HydrophobicContact CB-CE3 4.43Å; A214-W217 PolarHBondContact O-N 3.11Å; P215-W217 VanDerWaalsContact C-N 3.27Å; P215-W217 PolarHBondContact O-N 3.44Å; W217-R219 PolarHBondContact O-N 2.94Å; W217-L220 HydrophobicContact CB-CB 3.92Å; W217-L220 HydrophobicContact CB-CD1 4.47Å; W217-L220 HydrophobicContact CB-CD2 4.32Å; W217-L220 HydrophobicContact CB-CG 4.48Å; W217-L220 HydrophobicContact CD2-CD2 4.47Å; W217-L220 HydrophobicContact CE3-CD2 3.9Å; W217-L220 PolarHBondContact O-N 2.98Å; W217-L240 HydrophobicContact CE3-CD2 4.41Å
218P96.3Very high97.2Very high43 Ų4333.6 Ų33.628%0.27916%0.163SC..THydrogen-bonded Turntrans-67.9-13-168.128.5-37.7000115.2R189 M216R189-P218 HydrophobicContact CG-CG 4.2Å; M216-P218 WeakPolarHBondContact O-CD 3.43Å
219R97.1Very high96.9Very high145 Ų14532.6 Ų32.655%0.54716%0.158SC..THydrogen-bonded Turntrans-122.216-177.1-64.3-172.5176.6159-5.5113.2S193 N194 L195 W217 E221S193-R219 WeakPolarHBondContact O-CD 3.35Å; N194-R219 PolarHBondContact OD1-NH1 2.99Å; L195-R219 CarbonylContact O-C 3.32Å; W217-R219 PolarHBondContact O-N 2.94Å; R219-E221 WeakPolarHBondContact O-CG 3.44Å; R219-E221 PolarHBondContact O-N 3.31Å
220L98.3Very high97Very high0 Ų030 Ų300%015%0.146CC..  trans-65.1127.1-174.5-163.972.5000111.5L195 L198 W217 L223 L240 T242 L243L195-L220 HydrophobicContact CD2-CD1 4.3Å; L195-L220 HydrophobicContact CG-CD1 4.31Å; L195-L220 PolarHBondContact O-N 3.32Å; L198-L220 HydrophobicContact CB-CD1 3.58Å; L198-L220 HydrophobicContact CB-CD2 4.23Å; W217-L220 HydrophobicContact CB-CB 3.92Å; W217-L220 HydrophobicContact CB-CD1 4.47Å; W217-L220 HydrophobicContact CB-CD2 4.32Å; W217-L220 HydrophobicContact CB-CG 4.48Å; W217-L220 HydrophobicContact CD2-CD2 4.47Å; W217-L220 HydrophobicContact CE3-CD2 3.9Å; W217-L220 PolarHBondContact O-N 2.98Å; L220-L223 HydrophobicContact CD2-CB 3.96Å; L220-L223 HydrophobicContact CD2-CD1 4.11Å; L220-L223 HydrophobicContact CD2-CD2 4.28Å; L220-L223 HydrophobicContact CD2-CG 4.33Å; L220-L240 HydrophobicContact CD2-CD2 4.07Å; L220-T242 PolarHBondContact N-OG1 3.33Å; L220-T242 CarbonylContact O-C 3.58Å; L220-T242 WeakPolarHBondContact O-CB 3.41Å; L220-T242 PolarHBondContact O-OG1 3.02Å; L220-L243 HydrophobicContact CD2-CD1 4.31Å; L220-L243 HydrophobicContact CG-CD1 4.29Å; L220-L243 PolarHBondContact O-N 3.2Å
221E98.1Very high96.9Very high52 Ų5236.8 Ų36.824%0.24317%0.172CC..  trans-111.4-34.4-179.5-55.9-162161.900112.2K196 R219 L243 K244 S245K196-E221 HydrophobicContact CB-CG 4.43Å; K196-E221 WeakPolarHBondContact O-CA 3.39Å; K196-E221 PolarHBondContact O-N 3.16Å; R219-E221 WeakPolarHBondContact O-CG 3.44Å; R219-E221 PolarHBondContact O-N 3.31Å; E221-L243 WeakPolarHBondContact O-CD1 3.38Å; E221-K244 HydrophobicContact CB-CD 4.43Å; E221-K244 PolarHBondContact O-N 3.06Å; E221-K244 IonicContact OE1-NZ 2.98Å; E221-K244 PolarHBondContact OE1-NZ 3.32Å; E221-K244 VanDerWaalsContact OE1-NZ 3.08Å; E221-K244 IonicContact OE2-NZ 3.16Å; E221-K244 PolarHBondContact OE2-NZ 2.74Å; E221-S245 PolarHBondContact O-N 2.95Å
222D98.6Very high96.8Very high8 Ų840.4 Ų40.44%0.04319%0.188CC..EExtended strand (participates in β ladder)trans-125.6120.2-177.6-70.3-98000110.1K102 K196 L197 L198 S245K102-D222 WeakPolarHBondContact CE-OD1 3.44Å; K102-D222 VanDerWaalsContact NZ-CG 3.28Å; K102-D222 IonicContact NZ-OD1 3.99Å; K102-D222 PolarHBondContact NZ-OD1 2.96Å; K102-D222 IonicContact NZ-OD2 3.19Å; K102-D222 PolarHBondContact NZ-OD2 2.95Å; K196-D222 PolarHBondContact O-N 2.96Å; L197-D222 WeakPolarHBondContact CA-O 3.44Å; L197-D222 HydrophobicContact CB-CB 4.21Å; L197-D222 HydrophobicContact CD1-CB 4.1Å; L197-D222 HydrophobicContact CG-CB 3.85Å; L198-D222 PolarHBondContact N-O 3.17Å; D222-S245 WeakPolarHBondContact OD1-CB 3.22Å; D222-S245 PolarHBondContact OD1-OG 3.26Å
223L98.5Very high96.8Very high0 Ų035.4 Ų35.40%017%0.165CC..EExtended strand (participates in β ladder)trans-126.4123.8-179.317956.6000111L198 I210 L220 L225 L240 L243 S245 L246 N247L198-L223 HydrophobicContact CB-CD1 4.25Å; L198-L223 HydrophobicContact CD2-CD1 4.32Å; L198-L223 HydrophobicContact CG-CD1 4.27Å; L198-L223 WeakPolarHBondContact O-CA 3.22Å; I210-L223 HydrophobicContact CG2-CD2 4.14Å; L220-L223 HydrophobicContact CD2-CB 3.96Å; L220-L223 HydrophobicContact CD2-CD1 4.11Å; L220-L223 HydrophobicContact CD2-CD2 4.28Å; L220-L223 HydrophobicContact CD2-CG 4.33Å; L223-L225 HydrophobicContact CD1-CD2 4.06Å; L223-L225 HydrophobicContact CD1-CG 4.12Å; L223-L225 HydrophobicContact CD2-CD1 3.96Å; L223-L225 HydrophobicContact CD2-CG 4.29Å; L223-L225 HydrophobicContact CG-CD1 4.15Å; L223-L225 HydrophobicContact CG-CD2 4.42Å; L223-L225 HydrophobicContact CG-CG 3.95Å; L223-L240 HydrophobicContact CD2-CD1 4.22Å; L223-L243 HydrophobicContact CB-CD1 3.59Å; L223-L243 HydrophobicContact CB-CD2 4.31Å; L223-S245 PolarHBondContact N-O 3.34Å; L223-L246 HydrophobicContact CB-CD1 4.23Å; L223-L246 HydrophobicContact CD2-CD1 4.19Å; L223-L246 HydrophobicContact CG-CD1 4.18Å; L223-L246 WeakPolarHBondContact O-CA 3.46Å; L223-N247 PolarHBondContact O-N 3.26Å
224S98.4Very high96.7Very high2 Ų238.2 Ų38.21%0.01418%0.177CC..EExtended strand (participates in β ladder)trans-109.5123.7173.2-140.20000111.3L198 L200 N201 N247L198-S224 PolarHBondContact O-N 3.27Å; L200-S224 PolarHBondContact N-O 3.21Å; N201-S224 VanDerWaalsContact OD1-CB 3.28Å; N201-S224 WeakPolarHBondContact OD1-CB 3.47Å; N201-S224 PolarHBondContact OD1-O 3.43Å; N201-S224 PolarHBondContact OD1-OG 3.31Å; S224-N247 WeakPolarHBondContact OG-CB 3.43Å; S224-N247 PolarHBondContact OG-ND2 3.22Å
225L98.1Very high96.6Very high0 Ų044 Ų440%020%0.199CC..  trans-130.131.3179-62.6171.7000110.9L200 N201 W207 I210 L223 N228 I230 L246 N247 L248 N251L200-L225 HydrophobicContact CB-CD2 3.97Å; L200-L225 HydrophobicContact CD1-CD2 4.45Å; N201-L225 PolarHBondContact OD1-N 3.02Å; W207-L225 HydrophobicContact CE3-CD1 3.87Å; W207-L225 HydrophobicContact CZ3-CD1 3.63Å; I210-L225 HydrophobicContact CD1-CD2 3.58Å; I210-L225 HydrophobicContact CG1-CD1 4.05Å; I210-L225 HydrophobicContact CG1-CD2 3.8Å; I210-L225 HydrophobicContact CG2-CD1 4.19Å; L223-L225 HydrophobicContact CD1-CD2 4.06Å; L223-L225 HydrophobicContact CD1-CG 4.12Å; L223-L225 HydrophobicContact CD2-CD1 3.96Å; L223-L225 HydrophobicContact CD2-CG 4.29Å; L223-L225 HydrophobicContact CG-CD1 4.15Å; L223-L225 HydrophobicContact CG-CD2 4.42Å; L223-L225 HydrophobicContact CG-CG 3.95Å; L225-N228 PolarHBondContact O-ND2 3.48Å; L225-I230 HydrophobicContact CB-CD1 3.89Å; L225-I230 HydrophobicContact CD1-CD1 3.87Å; L225-I230 HydrophobicContact CG-CD1 4.43Å; L225-L246 HydrophobicContact CD1-CD1 4.34Å; L225-N247 WeakPolarHBondContact CA-O 3.4Å; L225-N247 PolarHBondContact N-O 3.42Å; L225-L248 HydrophobicContact CB-CD2 4.17Å; L225-L248 HydrophobicContact CD1-CD2 4.04Å; L225-N251 PolarHBondContact O-ND2 3.47Å
226E97.6Very high96.4Very high69 Ų6943 Ų4332%0.32219%0.192SC..THydrogen-bonded Turntrans-58.5141.8-178.4171.7167.8-177.100111.8N201 N202 N228 N247 S249 C250N201-E226 CarbonylContact C-O 3.58Å; N201-E226 WeakPolarHBondContact CA-O 3.38Å; N201-E226 HydrophobicContact CB-CB 4.16Å; N201-E226 WeakPolarHBondContact CB-O 3.38Å; N201-E226 PolarHBondContact OD1-N 3.43Å; N202-E226 PolarHBondContact N-O 3.36Å; E226-N228 VanDerWaalsContact C-N 3.25Å; E226-N228 PolarHBondContact O-N 2.83Å; E226-N228 PolarHBondContact O-ND2 2.71Å; E226-N247 PolarHBondContact OE2-ND2 3.26Å; E226-S249 WeakPolarHBondContact CA-O 3.22Å; E226-S249 VanDerWaalsContact CD-OG 3.25Å; E226-S249 VanDerWaalsContact CG-OG 3.26Å; E226-S249 WeakPolarHBondContact CG-OG 3.39Å; E226-S249 PolarHBondContact OE2-OG 3.36Å; E226-C250 HydrophobicContact CG-CB 4.39Å
227N96.7Very high96.1Very high78 Ų7850.4 Ų50.442%0.41723%0.227SC..THydrogen-bonded Turntrans53.244.7171-163.515.3000112.7N202 S249 C250N202-N227 WeakPolarHBondContact CA-O 3.47Å; N202-N227 VanDerWaalsContact ND2-CG 3.31Å; N202-N227 PolarHBondContact ND2-ND2 3.27Å; N202-N227 PolarHBondContact ND2-O 2.95Å; N227-S249 PolarHBondContact N-O 2.83Å; N227-C250 HydrophobicContact CB-CB 3.91Å
228N95.9Very high95.7Very high11 Ų1154 Ų546%0.05926%0.264CS..SBendtrans-98.3-174.4165.1-76.6-75.4000109.4L200 C203 D204 F205 L225 E226 I230 N251L200-N228 PolarHBondContact O-ND2 3.05Å; C203-N228 PolarHBondContact N-OD1 3.16Å; D204-N228 PolarHBondContact N-OD1 2.97Å; F205-N228 PolarHBondContact N-OD1 3.09Å; L225-N228 PolarHBondContact O-ND2 3.48Å; E226-N228 VanDerWaalsContact C-N 3.25Å; E226-N228 PolarHBondContact O-N 2.83Å; E226-N228 PolarHBondContact O-ND2 2.71Å; N228-I230 HydrophobicContact CB-CD1 4.28Å; N228-I230 HydrophobicContact CB-CG1 4.05Å; N228-N251 VanDerWaalsContact CA-OD1 3.3Å; N228-N251 WeakPolarHBondContact CA-OD1 3.29Å; N228-N251 VanDerWaalsContact CB-OD1 3.3Å; N228-N251 WeakPolarHBondContact CB-OD1 3.25Å; N228-N251 PolarHBondContact N-OD1 2.85Å; N228-N251 PolarHBondContact O-OD1 2.75Å
229N90.3Very high95.7Very high63 Ų6353.2 Ų53.234%0.33726%0.258SS..  trans-102.341.1176.1-173.229.7000110.9R231N229-R231 PolarHBondContact O-N 2.94Å; N229-R231 PolarHBondContact OD1-NE 3.24Å; N229-R231 VanDerWaalsContact OD1-NE 3.16Å
230I96.9Very high95.7Very high0 Ų046.6 Ų46.60%023%0.234CC..  trans-76.3117.5179-58171.8000108.6F205 W207 L225 N228 L233 L248 N251 P252 L253F205-I230 WeakPolarHBondContact O-CG1 3.38Å; W207-I230 HydrophobicContact CB-CG2 3.73Å; L225-I230 HydrophobicContact CB-CD1 3.89Å; L225-I230 HydrophobicContact CD1-CD1 3.87Å; L225-I230 HydrophobicContact CG-CD1 4.43Å; N228-I230 HydrophobicContact CB-CD1 4.28Å; N228-I230 HydrophobicContact CB-CG1 4.05Å; I230-L233 HydrophobicContact CG2-CD2 3.95Å; I230-L248 HydrophobicContact CD1-CD2 3.76Å; I230-N251 HydrophobicContact CB-CB 4.11Å; I230-N251 VanDerWaalsContact CB-OD1 3.28Å; I230-N251 WeakPolarHBondContact CB-OD1 3.45Å; I230-N251 WeakPolarHBondContact CG1-OD1 3.32Å; I230-N251 PolarHBondContact N-OD1 3.39Å; I230-P252 CarbonylContact O-C 3.53Å; I230-P252 WeakPolarHBondContact O-CD 3.5Å; I230-L253 HydrophobicContact CB-CD2 4.3Å; I230-L253 HydrophobicContact CG2-CD2 3.71Å
231R95.6Very high95.6Very high143 Ų14349.8 Ų49.854%0.5425%0.249SC..  trans-108.6-44.1179.8-67.8176.6-175.3-165.9-1.9112.4N229 P252 L253 M254N229-R231 PolarHBondContact O-N 2.94Å; N229-R231 PolarHBondContact OD1-NE 3.24Å; N229-R231 VanDerWaalsContact OD1-NE 3.16Å; R231-P252 WeakPolarHBondContact CA-O 3.32Å; R231-P252 HydrophobicContact CG-CG 3.9Å; R231-L253 CarbonylContact O-C 3.56Å; R231-L253 WeakPolarHBondContact O-CA 3.37Å; R231-M254 WeakPolarHBondContact O-CB 2.8Å; R231-M254 WeakPolarHBondContact O-CG 3.46Å; R231-M254 PolarHBondContact O-N 2.79Å
232E95.8Very high95.6Very high100 Ų10049 Ų4947%0.46725%0.247SC..  trans-122.6134.6-176-172176.9179.400109.8W207 H234 M254W207-E232 WeakPolarHBondContact CB-O 3.42Å; E232-H234 IonicContact OE1-CE1 2.96Å; E232-M254 HydrophobicContact CB-SD 4.4Å
233L95.9Very high95.5Very high2 Ų248.6 Ų48.61%0.0125%0.245CC..  trans-101.5133.8175.3-61.2165.9000109.8W207 I230 L248 L253 S257 V258 R260 L261W207-L233 HydrophobicContact CB-CD2 4.19Å; W207-L233 HydrophobicContact CD2-CD2 3.62Å; W207-L233 HydrophobicContact CE3-CD2 3.92Å; W207-L233 HydrophobicContact CG-CD2 3.75Å; I230-L233 HydrophobicContact CG2-CD2 3.95Å; L233-L248 HydrophobicContact CD1-CD1 4.17Å; L233-L248 HydrophobicContact CD2-CD1 4.01Å; L233-L248 HydrophobicContact CD2-CD2 4.47Å; L233-L253 HydrophobicContact CD1-CD1 4.29Å; L233-L253 HydrophobicContact CD1-CD2 4.11Å; L233-L253 HydrophobicContact CD2-CD2 4.25Å; L233-L253 HydrophobicContact CG-CD2 4.03Å; L233-S257 PolarHBondContact N-OG 2.91Å; L233-V258 HydrophobicContact CD1-CG2 4.49Å; L233-R260 WeakPolarHBondContact O-CG 3.36Å; L233-L261 HydrophobicContact CD1-CD1 3.75Å; L233-L261 HydrophobicContact CD1-CG 4Å; L233-L261 HydrophobicContact CD2-CD2 4.46Å
234H94.6Very high95.5Very high60 Ų6051.4 Ų51.428%0.27826%0.258SS..  trans-112.1158.6173.2-62-82.3000109.7W207 L208 L211 E232 P236W207-H234 PolarHBondContact NE1-O 3.15Å; L208-H234 HydrophobicContact CD2-CB 4.36Å; L208-H234 WeakPolarHBondContact CD2-CD2 3.35Å; L208-H234 VanDerWaalsContact CG-CD2 3.47Å; L208-H234 WeakPolarHBondContact CG-CD2 3.42Å; L211-H234 HydrophobicContact CD1-CB 4.09Å; E232-H234 IonicContact OE1-CE1 2.96Å; H234-P236 WeakPolarHBondContact O-CD 3.36Å
235R94.2Very high95.5Very high125 Ų12551.5 Ų51.547%0.47226%0.258SS..  trans-63.5124.8178.1-66-176.6178.8168.4-0.9109.6E237 R260R235-E237 HydrophobicContact CB-CG 4.09Å; R235-E237 PolarHBondContact O-N 3.16Å; R235-R260 HydrophobicContact CG-CB 4.03Å
236P93.9Very high95.5Very high0 Ų051.5 Ų51.50%026%0.258CS..  trans-74.369174.429.9-36.4000111.5L211 H234 G238 V239 L240 Q241 S263 L264L211-P236 HydrophobicContact CD2-CB 3.72Å; H234-P236 WeakPolarHBondContact O-CD 3.36Å; P236-G238 PolarHBondContact O-N 3.27Å; P236-V239 HydrophobicContact CB-CG2 4.04Å; P236-V239 PolarHBondContact O-N 3.12Å; P236-V239 VanDerWaalsContact O-O 3.06Å; P236-L240 HydrophobicContact CB-CB 4.49Å; P236-Q241 PolarHBondContact O-NE2 3.47Å; P236-S263 WeakPolarHBondContact CD-OG 3.37Å; P236-L264 HydrophobicContact CB-CD2 4.19Å; P236-L264 HydrophobicContact CG-CD1 4.29Å; P236-L264 HydrophobicContact CG-CD2 3.43Å; P236-L264 VanDerWaalsContact CG-CD2 3.43Å; P236-L264 HydrophobicContact CG-CG 3.7Å
237E89.9Confident95.6Very high156 Ų15648.4 Ų48.473%0.72924%0.244SC*.THydrogen-bonded Turntrans-66117.6-177.3-65.8-174.6174.100111.6R235 V239R235-E237 HydrophobicContact CB-CG 4.09Å; R235-E237 PolarHBondContact O-N 3.16Å; E237-V239 PolarHBondContact O-N 3.1Å; E237-V239 VanDerWaalsContact O-N 3.08Å
238G89.8Confident95.7Very high76 Ų7644.7 Ų44.778%0.78422%0.224SC*.THydrogen-bonded Turntrans70.8-0.5176.900000115.7P236P236-G238 PolarHBondContact O-N 3.27Å
239V96Very high95.8Very high27 Ų2744.2 Ų44.216%0.16422%0.222CC..SBendtrans-122.9159.6177.9-64.20000110.9L211 A214 P215 P236 E237 Q241L211-V239 HydrophobicContact CD2-CG2 3.96Å; A214-V239 HydrophobicContact CB-CB 3.75Å; A214-V239 HydrophobicContact CB-CG1 4.16Å; A214-V239 HydrophobicContact CB-CG2 4.04Å; P215-V239 HydrophobicContact CG-CG1 4.16Å; P236-V239 HydrophobicContact CB-CG2 4.04Å; P236-V239 PolarHBondContact O-N 3.12Å; P236-V239 VanDerWaalsContact O-O 3.06Å; E237-V239 PolarHBondContact O-N 3.1Å; E237-V239 VanDerWaalsContact O-N 3.08Å; V239-Q241 PolarHBondContact O-N 3.08Å; V239-Q241 PolarHBondContact O-NE2 3.33Å; V239-Q241 VanDerWaalsContact O-NE2 3.1Å
240L96.9Very high96.1Very high7 Ų742.9 Ų42.94%0.03722%0.217CC..SBendtrans55.618.4178-53.7178.6000115W207 L211 A214 W217 L220 L223 P236 T242 L243 L264W207-L240 HydrophobicContact CH2-CD1 4.11Å; L211-L240 HydrophobicContact CD2-CD1 4.19Å; A214-L240 HydrophobicContact CB-CD1 4.41Å; A214-L240 HydrophobicContact CB-CD2 3.82Å; A214-L240 HydrophobicContact CB-CG 3.87Å; W217-L240 HydrophobicContact CE3-CD2 4.41Å; L220-L240 HydrophobicContact CD2-CD2 4.07Å; L223-L240 HydrophobicContact CD2-CD1 4.22Å; P236-L240 HydrophobicContact CB-CB 4.49Å; L240-T242 PolarHBondContact O-N 3.24Å; L240-T242 VanDerWaalsContact O-N 3.11Å; L240-L243 HydrophobicContact CB-CB 4.4Å; L240-L243 WeakPolarHBondContact O-CB 3.18Å; L240-L243 PolarHBondContact O-N 3.24Å; L240-L264 HydrophobicContact CB-CD2 4.14Å; L240-L264 WeakPolarHBondContact O-CD2 3.34Å
241Q95.8Very high96.1Very high67 Ų6742.9 Ų42.931%0.31322%0.217SC..THydrogen-bonded Turntrans-67.5-14.7-175.6-62.6-60.6-5000113.8P236 V239 P265P236-Q241 PolarHBondContact O-NE2 3.47Å; V239-Q241 PolarHBondContact O-N 3.08Å; V239-Q241 PolarHBondContact O-NE2 3.33Å; V239-Q241 VanDerWaalsContact O-NE2 3.1Å; Q241-P265 VanDerWaalsContact OE1-CD 3.25Å
242T97.3Very high96.1Very high34 Ų3438 Ų3821%0.20920%0.204CC..THydrogen-bonded Turntrans-87.3-8.5174.349.90000113.4L220 L240 K244L220-T242 PolarHBondContact N-OG1 3.33Å; L220-T242 CarbonylContact O-C 3.58Å; L220-T242 WeakPolarHBondContact O-CB 3.41Å; L220-T242 PolarHBondContact O-OG1 3.02Å; L240-T242 PolarHBondContact O-N 3.24Å; L240-T242 VanDerWaalsContact O-N 3.11Å; T242-K244 PolarHBondContact O-N 3.26Å
243L98.2Very high96.1Very high0 Ų033.8 Ų33.80%018%0.184CC..  trans-65.9127.3-170.9-160.674.9000111.5L220 E221 L223 L240 L246 L264 R266 L267L220-L243 HydrophobicContact CD2-CD1 4.31Å; L220-L243 HydrophobicContact CG-CD1 4.29Å; L220-L243 PolarHBondContact O-N 3.2Å; E221-L243 WeakPolarHBondContact O-CD1 3.38Å; L223-L243 HydrophobicContact CB-CD1 3.59Å; L223-L243 HydrophobicContact CB-CD2 4.31Å; L240-L243 HydrophobicContact CB-CB 4.4Å; L240-L243 WeakPolarHBondContact O-CB 3.18Å; L240-L243 PolarHBondContact O-N 3.24Å; L243-L246 HydrophobicContact CD2-CB 3.92Å; L243-L246 HydrophobicContact CD2-CD1 4.17Å; L243-L246 HydrophobicContact CD2-CD2 4.32Å; L243-L246 HydrophobicContact CD2-CG 4.36Å; L243-L264 HydrophobicContact CD2-CD1 4.25Å; L243-R266 CarbonylContact O-C 3.57Å; L243-L267 HydrophobicContact CD2-CD1 4.48Å; L243-L267 PolarHBondContact O-N 2.65Å
244K98.2Very high95.9Very high60 Ų6038.1 Ų38.126%0.26121%0.206SC..  trans-107.8-26.6177.8-62.7176.4-171.8158.60112.6E221 T242 R266 E268 W269E221-K244 HydrophobicContact CB-CD 4.43Å; E221-K244 PolarHBondContact O-N 3.06Å; E221-K244 IonicContact OE1-NZ 2.98Å; E221-K244 PolarHBondContact OE1-NZ 3.32Å; E221-K244 VanDerWaalsContact OE1-NZ 3.08Å; E221-K244 IonicContact OE2-NZ 3.16Å; E221-K244 PolarHBondContact OE2-NZ 2.74Å; T242-K244 PolarHBondContact O-N 3.26Å; K244-R266 WeakPolarHBondContact CA-O 3.49Å; K244-E268 PolarHBondContact O-N 3.21Å; K244-W269 PolarHBondContact O-N 3.18Å
245S98.6Very high95.7Very high3 Ų337.5 Ų37.52%0.02120%0.203CC..EExtended strand (participates in β ladder)trans-138.1125.9-173.5176.40000110.2S100 E221 D222 L223 W269S100-S245 PolarHBondContact OG-OG 2.72Å; E221-S245 PolarHBondContact O-N 2.95Å; D222-S245 WeakPolarHBondContact OD1-CB 3.22Å; D222-S245 PolarHBondContact OD1-OG 3.26Å; L223-S245 PolarHBondContact N-O 3.34Å; S245-W269 WeakPolarHBondContact CA-O 3.43Å; S245-W269 VanDerWaalsContact OG-CE3 3.32Å
246L98.5Very high95.5Very high0 Ų037.8 Ų37.80%021%0.209CC..EExtended strand (participates in β ladder)trans-131.8118.5179.2-179.856000110.8W207 L223 L225 L243 L248 L261 L264 L267 W269 L270 N271W207-L246 HydrophobicContact CH2-CD2 4.08Å; W207-L246 HydrophobicContact CZ3-CD1 4.3Å; W207-L246 HydrophobicContact CZ3-CD2 4.39Å; L223-L246 HydrophobicContact CB-CD1 4.23Å; L223-L246 HydrophobicContact CD2-CD1 4.19Å; L223-L246 HydrophobicContact CG-CD1 4.18Å; L223-L246 WeakPolarHBondContact O-CA 3.46Å; L225-L246 HydrophobicContact CD1-CD1 4.34Å; L243-L246 HydrophobicContact CD2-CB 3.92Å; L243-L246 HydrophobicContact CD2-CD1 4.17Å; L243-L246 HydrophobicContact CD2-CD2 4.32Å; L243-L246 HydrophobicContact CD2-CG 4.36Å; L246-L248 HydrophobicContact CD1-CD2 4.42Å; L246-L248 HydrophobicContact CD1-CG 4.14Å; L246-L248 HydrophobicContact CD2-CD1 3.82Å; L246-L248 HydrophobicContact CD2-CG 4.22Å; L246-L248 HydrophobicContact CG-CD1 4.07Å; L246-L248 HydrophobicContact CG-CG 3.94Å; L246-L261 HydrophobicContact CD2-CD1 3.98Å; L246-L261 HydrophobicContact CD2-CD2 4.04Å; L246-L264 HydrophobicContact CD2-CD1 4.41Å; L246-L267 HydrophobicContact CB-CD1 3.73Å; L246-W269 PolarHBondContact N-O 3.28Å; L246-W269 WeakPolarHBondContact O-CZ3 3.35Å; L246-L270 HydrophobicContact CB-CD1 4.07Å; L246-L270 HydrophobicContact CD2-CD1 4.17Å; L246-L270 HydrophobicContact CG-CD1 4.14Å; L246-N271 PolarHBondContact O-N 2.67Å
247N98.6Very high95.4Very high4 Ų438.1 Ų38.12%0.02121%0.212CC..EExtended strand (participates in β ladder)trans-101.3114.1171.7-170.815.2000110.6L223 S224 L225 E226 S249 W269 N271L223-N247 PolarHBondContact O-N 3.26Å; S224-N247 WeakPolarHBondContact OG-CB 3.43Å; S224-N247 PolarHBondContact OG-ND2 3.22Å; L225-N247 WeakPolarHBondContact CA-O 3.4Å; L225-N247 PolarHBondContact N-O 3.42Å; E226-N247 PolarHBondContact OE2-ND2 3.26Å; N247-S249 PolarHBondContact ND2-OG 3.45Å; N247-S249 WeakPolarHBondContact OD1-CB 3.4Å; N247-S249 PolarHBondContact OD1-N 2.64Å; N247-S249 VanDerWaalsContact OD1-N 3.1Å; N247-S249 PolarHBondContact OD1-OG 2.96Å; N247-W269 HydrophobicContact CB-CH2 4.16Å; N247-W269 HydrophobicContact CB-CZ3 3.83Å; N247-N271 WeakPolarHBondContact OD1-CB 3.43Å; N247-N271 PolarHBondContact OD1-ND2 3.03Å
248L98.1Very high95.5Very high0 Ų030.8 Ų30.80%018%0.178CC..  trans-117.217.6174.7-71.1167.4000111.4W207 L225 I230 L233 L246 N251 L253 L261 L270 N271 L272 T275W207-L248 HydrophobicContact CE3-CD2 4.39Å; W207-L248 HydrophobicContact CZ3-CD2 4.35Å; L225-L248 HydrophobicContact CB-CD2 4.17Å; L225-L248 HydrophobicContact CD1-CD2 4.04Å; I230-L248 HydrophobicContact CD1-CD2 3.76Å; L233-L248 HydrophobicContact CD1-CD1 4.17Å; L233-L248 HydrophobicContact CD2-CD1 4.01Å; L233-L248 HydrophobicContact CD2-CD2 4.47Å; L246-L248 HydrophobicContact CD1-CD2 4.42Å; L246-L248 HydrophobicContact CD1-CG 4.14Å; L246-L248 HydrophobicContact CD2-CD1 3.82Å; L246-L248 HydrophobicContact CD2-CG 4.22Å; L246-L248 HydrophobicContact CG-CD1 4.07Å; L246-L248 HydrophobicContact CG-CG 3.94Å; L248-N251 WeakPolarHBondContact O-CB 3.5Å; L248-N251 PolarHBondContact O-N 3.37Å; L248-N251 PolarHBondContact O-ND2 3.36Å; L248-L253 HydrophobicContact CB-CD1 4.29Å; L248-L253 HydrophobicContact CD1-CD1 4.45Å; L248-L261 HydrophobicContact CD1-CD1 3.76Å; L248-L270 HydrophobicContact CD1-CD1 4.47Å; L248-N271 CarbonylContact C-O 3.54Å; L248-N271 WeakPolarHBondContact CA-O 3.46Å; L248-N271 PolarHBondContact N-O 2.9Å; L248-L272 HydrophobicContact CB-CD2 4.09Å; L248-L272 HydrophobicContact CD1-CD2 4.09Å; L248-T275 WeakPolarHBondContact O-CG2 3.34Å
249S97.9Very high95.5Very high2 Ų227.6 Ų27.61%0.01414%0.143CC..THydrogen-bonded Turntrans-55.8153.6-178.760.40000112.7E226 N227 N247 N251 N271 S273E226-S249 WeakPolarHBondContact CA-O 3.22Å; E226-S249 VanDerWaalsContact CD-OG 3.25Å; E226-S249 VanDerWaalsContact CG-OG 3.26Å; E226-S249 WeakPolarHBondContact CG-OG 3.39Å; E226-S249 PolarHBondContact OE2-OG 3.36Å; N227-S249 PolarHBondContact N-O 2.83Å; N247-S249 PolarHBondContact ND2-OG 3.45Å; N247-S249 WeakPolarHBondContact OD1-CB 3.4Å; N247-S249 PolarHBondContact OD1-N 2.64Å; N247-S249 VanDerWaalsContact OD1-N 3.1Å; N247-S249 PolarHBondContact OD1-OG 2.96Å; S249-N251 PolarHBondContact O-N 2.81Å; S249-N251 VanDerWaalsContact O-N 3.11Å; S249-N251 PolarHBondContact O-ND2 3.48Å; S249-N271 PolarHBondContact N-O 3.13Å; S249-S273 CarbonylContact C-O 3.46Å; S249-S273 WeakPolarHBondContact CA-O 3.46Å; S249-S273 WeakPolarHBondContact CB-O 3.46Å; S249-S273 VanDerWaalsContact CB-OG 3.23Å; S249-S273 WeakPolarHBondContact CB-OG 3.27Å
250C97.4Very high95.3Very high34 Ų3430 Ų3023%0.2315%0.149CC..THydrogen-bonded Turntrans59.522.6177.2-57.10000114.3E226 N227 S273 N274E226-C250 HydrophobicContact CG-CB 4.39Å; N227-C250 HydrophobicContact CB-CB 3.91Å; C250-S273 PolarHBondContact N-O 3.14Å; C250-N274 WeakPolarHBondContact CA-O 3.35Å; C250-N274 PolarHBondContact SG-ND2 3.37Å; C250-N274 VanDerWaalsContact SG-ND2 3.37Å
251N97.7Very high95.2Very high1 Ų129.7 Ų29.71%0.00515%0.148CC..  trans-104.9138.9173-76.1-88.1000111.1L225 N228 I230 L248 S249 L253 T275L225-N251 PolarHBondContact O-ND2 3.47Å; N228-N251 VanDerWaalsContact CA-OD1 3.3Å; N228-N251 WeakPolarHBondContact CA-OD1 3.29Å; N228-N251 VanDerWaalsContact CB-OD1 3.3Å; N228-N251 WeakPolarHBondContact CB-OD1 3.25Å; N228-N251 PolarHBondContact N-OD1 2.85Å; N228-N251 PolarHBondContact O-OD1 2.75Å; I230-N251 HydrophobicContact CB-CB 4.11Å; I230-N251 VanDerWaalsContact CB-OD1 3.28Å; I230-N251 WeakPolarHBondContact CB-OD1 3.45Å; I230-N251 WeakPolarHBondContact CG1-OD1 3.32Å; I230-N251 PolarHBondContact N-OD1 3.39Å; L248-N251 WeakPolarHBondContact O-CB 3.5Å; L248-N251 PolarHBondContact O-N 3.37Å; L248-N251 PolarHBondContact O-ND2 3.36Å; S249-N251 PolarHBondContact O-N 2.81Å; S249-N251 VanDerWaalsContact O-N 3.11Å; S249-N251 PolarHBondContact O-ND2 3.48Å; N251-L253 VanDerWaalsContact C-N 3.25Å; N251-L253 HydrophobicContact CB-CD2 4.26Å; N251-L253 HydrophobicContact CB-CG 4.2Å; N251-L253 PolarHBondContact O-N 3.17Å; N251-T275 WeakPolarHBondContact O-CA 3.14Å; N251-T275 VanDerWaalsContact O-CB 3.23Å; N251-T275 WeakPolarHBondContact O-CB 3.16Å; N251-T275 WeakPolarHBondContact O-CG2 3.28Å
252P94.4Very high94.9Very high40 Ų4028.1 Ų28.126%0.2614%0.144SC..  trans-78.665.8-178.533.5-36.8000112.8I230 R231I230-P252 CarbonylContact O-C 3.53Å; I230-P252 WeakPolarHBondContact O-CD 3.5Å; R231-P252 WeakPolarHBondContact CA-O 3.32Å; R231-P252 HydrophobicContact CG-CG 3.9Å
253L95.4Very high94.6Very high11 Ų1128.6 Ų28.66%0.05815%0.149CC..  trans-69.6141.7-173-63.6177.2000113.6I230 R231 L233 L248 N251 L272 T275 L277I230-L253 HydrophobicContact CB-CD2 4.3Å; I230-L253 HydrophobicContact CG2-CD2 3.71Å; R231-L253 CarbonylContact O-C 3.56Å; R231-L253 WeakPolarHBondContact O-CA 3.37Å; L233-L253 HydrophobicContact CD1-CD1 4.29Å; L233-L253 HydrophobicContact CD1-CD2 4.11Å; L233-L253 HydrophobicContact CD2-CD2 4.25Å; L233-L253 HydrophobicContact CG-CD2 4.03Å; L248-L253 HydrophobicContact CB-CD1 4.29Å; L248-L253 HydrophobicContact CD1-CD1 4.45Å; N251-L253 VanDerWaalsContact C-N 3.25Å; N251-L253 HydrophobicContact CB-CD2 4.26Å; N251-L253 HydrophobicContact CB-CG 4.2Å; N251-L253 PolarHBondContact O-N 3.17Å; L253-L272 HydrophobicContact CD1-CD2 3.76Å; L253-T275 HydrophobicContact CD1-CG2 3.78Å; L253-T275 HydrophobicContact CG-CG2 4.16Å; L253-T275 PolarHBondContact N-O 3.29Å; L253-L277 HydrophobicContact CB-CD2 4.41Å
254M93.2Very high94.4Very high94 Ų9428.7 Ų28.746%0.46315%0.149SC..  trans-77.3129.5164-66.1-177.6-174.600109.4R231 E232 E256 S257R231-M254 WeakPolarHBondContact O-CB 2.8Å; R231-M254 WeakPolarHBondContact O-CG 3.46Å; R231-M254 PolarHBondContact O-N 2.79Å; E232-M254 HydrophobicContact CB-SD 4.4Å; M254-E256 VanDerWaalsContact C-N 3.33Å; M254-E256 PolarHBondContact O-N 3.42Å; M254-S257 PolarHBondContact O-N 2.98Å; M254-S257 VanDerWaalsContact O-N 3.16Å; M254-S257 PolarHBondContact O-OG 3.2Å
255Q90.2Very high94.1Very high46 Ų4628.7 Ų28.722%0.21516%0.156CC..G310 helixtrans-64.6-38-168.4-67.9173.269.400112.4S257 V258 L277 S278 I279Q255-S257 PolarHBondContact O-N 2.89Å; Q255-V258 PolarHBondContact O-N 3.31Å; Q255-L277 HydrophobicContact CB-CD2 4.19Å; Q255-L277 HydrophobicContact CG-CB 4.47Å; Q255-L277 HydrophobicContact CG-CD2 3.56Å; Q255-S278 VanDerWaalsContact CD-OG 3.23Å; Q255-S278 PolarHBondContact NE2-OG 3.36Å; Q255-S278 PolarHBondContact OE1-OG 3.08Å; Q255-I279 WeakPolarHBondContact CB-O 2.99Å; Q255-I279 PolarHBondContact OE1-O 3.48Å
256E88.5Confident94Very high132 Ų13235.1 Ų35.162%0.61718%0.179SC*.G310 helixtrans-66.7-25.1-179.4-5781.4-17900112.2M254 S259M254-E256 VanDerWaalsContact C-N 3.33Å; M254-E256 PolarHBondContact O-N 3.42Å; E256-S259 PolarHBondContact O-OG 2.92Å
257S91.9Very high94Very high7 Ų735.1 Ų35.15%0.04918%0.179CC..G310 helixtrans-80.9-19-175.376.60000113.6L233 M254 Q255 S259 R260L233-S257 PolarHBondContact N-OG 2.91Å; M254-S257 PolarHBondContact O-N 2.98Å; M254-S257 VanDerWaalsContact O-N 3.16Å; M254-S257 PolarHBondContact O-OG 3.2Å; Q255-S257 PolarHBondContact O-N 2.89Å; S257-S259 VanDerWaalsContact C-N 3.25Å; S257-S259 PolarHBondContact O-N 3.03Å; S257-R260 WeakPolarHBondContact O-CB 3.43Å; S257-R260 VanDerWaalsContact O-CG 3.22Å; S257-R260 WeakPolarHBondContact O-CG 3.27Å; S257-R260 PolarHBondContact O-N 3.17Å
258V93Very high93.9Very high2 Ų238.3 Ų38.31%0.01219%0.194CC..G310 helixtrans-59.7-36.7-177.3178.50000111.8L233 Q255 R260 L261 L272 L277 I280L233-V258 HydrophobicContact CD1-CG2 4.49Å; Q255-V258 PolarHBondContact O-N 3.31Å; V258-R260 PolarHBondContact O-N 2.85Å; V258-R260 VanDerWaalsContact O-N 3.1Å; V258-L261 WeakPolarHBondContact O-CB 3.36Å; V258-L261 PolarHBondContact O-N 3.31Å; V258-L261 VanDerWaalsContact O-N 3.12Å; V258-L272 HydrophobicContact CG1-CD1 3.77Å; V258-L277 HydrophobicContact CG2-CD1 4.47Å; V258-L277 HydrophobicContact CG2-CD2 4.04Å; V258-I280 HydrophobicContact CG1-CD1 4.49Å; V258-I280 HydrophobicContact CG1-CG2 4.28Å
259S90.1Very high93.9Very high8 Ų839.7 Ų39.76%0.05620%0.199CC..G310 helixtrans-59-23.7178.167.80000113.2E256 S257 L261 S262E256-S259 PolarHBondContact O-OG 2.92Å; S257-S259 VanDerWaalsContact C-N 3.25Å; S257-S259 PolarHBondContact O-N 3.03Å; S259-L261 PolarHBondContact O-N 2.78Å; S259-S262 VanDerWaalsContact O-CB 3.22Å; S259-S262 WeakPolarHBondContact O-CB 3.42Å; S259-S262 PolarHBondContact O-N 2.97Å; S259-S262 VanDerWaalsContact O-N 3.08Å; S259-S262 PolarHBondContact O-OG 3.14Å
260R91.7Very high93.9Very high79 Ų7939.7 Ų39.730%0.29820%0.199SC..G310 helixtrans-64.9-25.2179.3-55.8-63.6-179.9-124.16.9112.6L233 R235 S257 V258 S262 S263 E283L233-R260 WeakPolarHBondContact O-CG 3.36Å; R235-R260 HydrophobicContact CG-CB 4.03Å; S257-R260 WeakPolarHBondContact O-CB 3.43Å; S257-R260 VanDerWaalsContact O-CG 3.22Å; S257-R260 WeakPolarHBondContact O-CG 3.27Å; S257-R260 PolarHBondContact O-N 3.17Å; V258-R260 PolarHBondContact O-N 2.85Å; V258-R260 VanDerWaalsContact O-N 3.1Å; R260-S262 PolarHBondContact O-N 3.1Å; R260-S263 PolarHBondContact O-OG 2.99Å; R260-E283 IonicContact CZ-OE1 3.33Å; R260-E283 IonicContact NH1-OE1 3.71Å; R260-E283 PolarHBondContact NH1-OE1 2.84Å; R260-E283 IonicContact NH1-OE2 3.52Å; R260-E283 IonicContact NH2-OE1 3.92Å
261L93.9Very high94Very high0 Ų038.7 Ų38.70%019%0.192CC..G310 helixtrans-72.9-13175.7-60.9176.9000113.3W207 L233 L246 L248 V258 S259 S263 L264 L270 F294W207-L261 HydrophobicContact CH2-CD2 4.02Å; W207-L261 HydrophobicContact CZ2-CD2 3.7Å; L233-L261 HydrophobicContact CD1-CD1 3.75Å; L233-L261 HydrophobicContact CD1-CG 4Å; L233-L261 HydrophobicContact CD2-CD2 4.46Å; L246-L261 HydrophobicContact CD2-CD1 3.98Å; L246-L261 HydrophobicContact CD2-CD2 4.04Å; L248-L261 HydrophobicContact CD1-CD1 3.76Å; V258-L261 WeakPolarHBondContact O-CB 3.36Å; V258-L261 PolarHBondContact O-N 3.31Å; V258-L261 VanDerWaalsContact O-N 3.12Å; S259-L261 PolarHBondContact O-N 2.78Å; L261-S263 PolarHBondContact O-N 2.98Å; L261-S263 VanDerWaalsContact O-N 3.08Å; L261-L264 HydrophobicContact CB-CD1 4.5Å; L261-L264 HydrophobicContact CD2-CD1 4.18Å; L261-L264 WeakPolarHBondContact O-CB 3.47Å; L261-L264 PolarHBondContact O-N 3.17Å; L261-L270 HydrophobicContact CD1-CD1 4.19Å; L261-L270 HydrophobicContact CD1-CD2 4.44Å; L261-F294 VanDerWaalsContact C-CE1 3.43Å; L261-F294 HydrophobicContact CB-CE1 3.68Å; L261-F294 HydrophobicContact CB-CZ 3.78Å
262S90.1Very high94Very high33 Ų3338.7 Ų38.723%0.23119%0.192CC..G310 helixtrans-58.1-22.6175.561.60000113.4S259 R260 L264S259-S262 VanDerWaalsContact O-CB 3.22Å; S259-S262 WeakPolarHBondContact O-CB 3.42Å; S259-S262 PolarHBondContact O-N 2.97Å; S259-S262 VanDerWaalsContact O-N 3.08Å; S259-S262 PolarHBondContact O-OG 3.14Å; R260-S262 PolarHBondContact O-N 3.1Å; S262-L264 PolarHBondContact O-N 2.99Å
263S90.2Very high94.1Very high45 Ų4537.7 Ų37.732%0.31519%0.185SC..G310 helixtrans-70.1-4174.860.50000114.5P236 R260 L261 P265P236-S263 WeakPolarHBondContact CD-OG 3.37Å; R260-S263 PolarHBondContact O-OG 2.99Å; L261-S263 PolarHBondContact O-N 2.98Å; L261-S263 VanDerWaalsContact O-N 3.08Å; S263-P265 VanDerWaalsContact O-CD 3.23Å; S263-P265 WeakPolarHBondContact O-CD 3.28Å
264L94.3Very high94.2Very high1 Ų141 Ų411%0.00520%0.203CC..  trans-87101.9172.1-67171.6000109.8P236 L240 L243 L246 L261 S262 R266 L267P236-L264 HydrophobicContact CB-CD2 4.19Å; P236-L264 HydrophobicContact CG-CD1 4.29Å; P236-L264 HydrophobicContact CG-CD2 3.43Å; P236-L264 VanDerWaalsContact CG-CD2 3.43Å; P236-L264 HydrophobicContact CG-CG 3.7Å; L240-L264 HydrophobicContact CB-CD2 4.14Å; L240-L264 WeakPolarHBondContact O-CD2 3.34Å; L243-L264 HydrophobicContact CD2-CD1 4.25Å; L246-L264 HydrophobicContact CD2-CD1 4.41Å; L261-L264 HydrophobicContact CB-CD1 4.5Å; L261-L264 HydrophobicContact CD2-CD1 4.18Å; L261-L264 WeakPolarHBondContact O-CB 3.47Å; L261-L264 PolarHBondContact O-N 3.17Å; S262-L264 PolarHBondContact O-N 2.99Å; L264-R266 VanDerWaalsContact C-N 3.27Å; L264-R266 PolarHBondContact O-N 3.39Å; L264-L267 HydrophobicContact CB-CB 3.93Å; L264-L267 HydrophobicContact CD1-CD2 4.24Å; L264-L267 PolarHBondContact O-N 2.82Å
265P93Very high94.4Very high61 Ų6136.5 Ų36.540%0.39618%0.181SC..THydrogen-bonded Turntrans-73.5-18.5-16729.7-36.4000113.8Q241 S263 A296Q241-P265 VanDerWaalsContact OE1-CD 3.25Å; S263-P265 VanDerWaalsContact O-CD 3.23Å; S263-P265 WeakPolarHBondContact O-CD 3.28Å; P265-A296 WeakPolarHBondContact O-CB 3.47Å
266R96.4Very high94.5Very high137 Ų13740.7 Ų40.752%0.51720%0.198SC..THydrogen-bonded Turntrans-109.74.8-175-65.7-177.8177.8-166.3-0.4113.3L243 K244 L264 E268L243-R266 CarbonylContact O-C 3.57Å; K244-R266 WeakPolarHBondContact CA-O 3.49Å; L264-R266 VanDerWaalsContact C-N 3.27Å; L264-R266 PolarHBondContact O-N 3.39Å; R266-E268 WeakPolarHBondContact O-CG 3.17Å; R266-E268 PolarHBondContact O-N 3.44Å; R266-E268 VanDerWaalsContact O-N 3.1Å
267L97.6Very high94.7Very high1 Ų134.4 Ų34.41%0.00517%0.169CC..  trans-69.6109.9-175.4-17270.4000110.1L243 L246 L264 W269 L270 F294 A296 L297L243-L267 HydrophobicContact CD2-CD1 4.48Å; L243-L267 PolarHBondContact O-N 2.65Å; L246-L267 HydrophobicContact CB-CD1 3.73Å; L264-L267 HydrophobicContact CB-CB 3.93Å; L264-L267 HydrophobicContact CD1-CD2 4.24Å; L264-L267 PolarHBondContact O-N 2.82Å; L267-W269 WeakPolarHBondContact CD1-O 3.5Å; L267-L270 HydrophobicContact CD2-CB 4.24Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 HydrophobicContact CD2-CD2 4.33Å; L267-F294 HydrophobicContact CD2-CD1 4.16Å; L267-F294 HydrophobicContact CD2-CE1 3.97Å; L267-A296 CarbonylContact O-C 3.5Å; L267-L297 HydrophobicContact CG-CD1 4.44Å; L267-L297 WeakPolarHBondContact O-CA 3.36Å; L267-L297 PolarHBondContact O-N 2.71Å; L267-L297 VanDerWaalsContact O-N 3.12Å
268E97.6Very high94.7Very high70 Ų7036.2 Ų36.233%0.32718%0.182SC..  trans-101-28-178.5-65.1-174.8-145.200112.7K244 R266 A296 K298 N299K244-E268 PolarHBondContact O-N 3.21Å; R266-E268 WeakPolarHBondContact O-CG 3.17Å; R266-E268 PolarHBondContact O-N 3.44Å; R266-E268 VanDerWaalsContact O-N 3.1Å; E268-A296 WeakPolarHBondContact CA-O 3.23Å; E268-A296 HydrophobicContact CG-CB 4.28Å; E268-K298 PolarHBondContact O-N 2.86Å; E268-K298 IonicContact OE1-NZ 2.74Å; E268-K298 IonicContact OE2-NZ 3.93Å; E268-K298 PolarHBondContact OE2-NZ 3.43Å; E268-N299 PolarHBondContact O-N 3.48Å
269W98.1Very high94.5Very high30 Ų3038.8 Ų38.811%0.11420%0.195CC..EExtended strand (participates in β ladder)trans-130.7126-177.7-173.497.7000110.8S100 S101 K244 S245 L246 N247 L267 N271 N299S100-W269 WeakPolarHBondContact OG-CH2 3.34Å; S100-W269 WeakPolarHBondContact OG-CZ3 3.49Å; S101-W269 PolarHBondContact OG-NE1 2.91Å; K244-W269 PolarHBondContact O-N 3.18Å; S245-W269 WeakPolarHBondContact CA-O 3.43Å; S245-W269 VanDerWaalsContact OG-CE3 3.32Å; L246-W269 PolarHBondContact N-O 3.28Å; L246-W269 WeakPolarHBondContact O-CZ3 3.35Å; N247-W269 HydrophobicContact CB-CH2 4.16Å; N247-W269 HydrophobicContact CB-CZ3 3.83Å; L267-W269 WeakPolarHBondContact CD1-O 3.5Å; W269-N271 HydrophobicContact CE3-CB 4.32Å; W269-N271 HydrophobicContact CH2-CB 3.19Å; W269-N271 HydrophobicContact CZ2-CB 3.74Å; W269-N271 HydrophobicContact CZ3-CB 3.48Å; W269-N271 VanDerWaalsContact CZ3-CB 3.48Å; W269-N299 WeakPolarHBondContact CA-O 3.49Å; W269-N299 VanDerWaalsContact CD1-CG 3.42Å; W269-N299 HydrophobicContact CG-CB 4.33Å; W269-N299 PolarHBondContact NE1-ND2 2.92Å; W269-N299 VanDerWaalsContact NE1-ND2 3.18Å
270L98Very high94.3Very high2 Ų238.6 Ų38.61%0.0119%0.193CC..EExtended strand (participates in β ladder)trans-133.2125.8178.1-179.758.6000110.2L246 L248 L261 L267 L272 F294 L297 N299 L300 N301L246-L270 HydrophobicContact CB-CD1 4.07Å; L246-L270 HydrophobicContact CD2-CD1 4.17Å; L246-L270 HydrophobicContact CG-CD1 4.14Å; L248-L270 HydrophobicContact CD1-CD1 4.47Å; L261-L270 HydrophobicContact CD1-CD1 4.19Å; L261-L270 HydrophobicContact CD1-CD2 4.44Å; L267-L270 HydrophobicContact CD2-CB 4.24Å; L267-L270 HydrophobicContact CD2-CD1 4.34Å; L267-L270 HydrophobicContact CD2-CD2 4.33Å; L270-L272 HydrophobicContact CD1-CD2 4Å; L270-L272 HydrophobicContact CD1-CG 4.31Å; L270-L272 HydrophobicContact CD2-CD1 3.99Å; L270-L272 HydrophobicContact CD2-CD2 4.41Å; L270-L272 HydrophobicContact CD2-CG 4.19Å; L270-L272 HydrophobicContact CG-CD1 4.29Å; L270-L272 HydrophobicContact CG-CD2 4.18Å; L270-L272 HydrophobicContact CG-CG 3.95Å; L270-F294 HydrophobicContact CD2-CE1 4.21Å; L270-F294 HydrophobicContact CD2-CZ 4.39Å; L270-L297 HydrophobicContact CB-CD1 3.65Å; L270-N299 PolarHBondContact N-O 2.91Å; L270-L300 HydrophobicContact CB-CD1 4.07Å; L270-L300 HydrophobicContact CD2-CD1 4.09Å; L270-L300 HydrophobicContact CG-CD1 4.09Å; L270-L300 WeakPolarHBondContact O-CA 3.4Å; L270-N301 PolarHBondContact O-N 3.22Å
271N98.3Very high93.9Very high13 Ų1340.5 Ų40.57%0.0721%0.206CC..EExtended strand (participates in β ladder)trans-113117.9173.8-177.217.5000111.5L246 N247 L248 S249 W269 S273 N301L246-N271 PolarHBondContact O-N 2.67Å; N247-N271 WeakPolarHBondContact OD1-CB 3.43Å; N247-N271 PolarHBondContact OD1-ND2 3.03Å; L248-N271 CarbonylContact C-O 3.54Å; L248-N271 WeakPolarHBondContact CA-O 3.46Å; L248-N271 PolarHBondContact N-O 2.9Å; S249-N271 PolarHBondContact N-O 3.13Å; W269-N271 HydrophobicContact CE3-CB 4.32Å; W269-N271 HydrophobicContact CH2-CB 3.19Å; W269-N271 HydrophobicContact CZ2-CB 3.74Å; W269-N271 HydrophobicContact CZ3-CB 3.48Å; W269-N271 VanDerWaalsContact CZ3-CB 3.48Å; N271-S273 VanDerWaalsContact OD1-CB 3.28Å; N271-S273 WeakPolarHBondContact OD1-CB 3.45Å; N271-S273 PolarHBondContact OD1-N 2.89Å; N271-S273 PolarHBondContact OD1-OG 2.92Å; N271-S273 VanDerWaalsContact OD1-OG 3.08Å; N271-N301 HydrophobicContact CB-CB 4.23Å; N271-N301 WeakPolarHBondContact OD1-CB 3.46Å; N271-N301 VanDerWaalsContact OD1-CG 3.31Å; N271-N301 PolarHBondContact OD1-ND2 3.39Å
272L97.6Very high93.2Very high1 Ų140.8 Ų40.81%0.00521%0.207CC..  trans-121.126.2177-54.6173000110.4L248 L253 V258 L270 T275 L277 I280 L300 N301 L302 N305L248-L272 HydrophobicContact CB-CD2 4.09Å; L248-L272 HydrophobicContact CD1-CD2 4.09Å; L253-L272 HydrophobicContact CD1-CD2 3.76Å; V258-L272 HydrophobicContact CG1-CD1 3.77Å; L270-L272 HydrophobicContact CD1-CD2 4Å; L270-L272 HydrophobicContact CD1-CG 4.31Å; L270-L272 HydrophobicContact CD2-CD1 3.99Å; L270-L272 HydrophobicContact CD2-CD2 4.41Å; L270-L272 HydrophobicContact CD2-CG 4.19Å; L270-L272 HydrophobicContact CG-CD1 4.29Å; L270-L272 HydrophobicContact CG-CD2 4.18Å; L270-L272 HydrophobicContact CG-CG 3.95Å; L272-T275 HydrophobicContact CB-CG2 4.32Å; L272-T275 WeakPolarHBondContact O-CB 3.35Å; L272-T275 VanDerWaalsContact O-CG2 3.32Å; L272-T275 WeakPolarHBondContact O-CG2 3.48Å; L272-T275 PolarHBondContact O-OG1 2.89Å; L272-L277 HydrophobicContact CB-CD1 3.92Å; L272-L277 HydrophobicContact CD1-CD1 3.97Å; L272-L277 HydrophobicContact CG-CD1 4.5Å; L272-I280 HydrophobicContact CD1-CD1 4.2Å; L272-L300 HydrophobicContact CD1-CD1 4.26Å; L272-N301 CarbonylContact C-O 3.52Å; L272-N301 WeakPolarHBondContact CA-O 3.49Å; L272-N301 PolarHBondContact N-O 3.34Å; L272-L302 HydrophobicContact CB-CD2 4.09Å; L272-L302 HydrophobicContact CD1-CD2 4.11Å; L272-N305 PolarHBondContact O-ND2 2.98Å
273S97.6Very high92.1Very high18 Ų1844.5 Ų44.513%0.12622%0.221CC..THydrogen-bonded Turntrans-64.5144.1178.8690000111.7S249 C250 N271 T275 N301 D303S249-S273 CarbonylContact C-O 3.46Å; S249-S273 WeakPolarHBondContact CA-O 3.46Å; S249-S273 WeakPolarHBondContact CB-O 3.46Å; S249-S273 VanDerWaalsContact CB-OG 3.23Å; S249-S273 WeakPolarHBondContact CB-OG 3.27Å; C250-S273 PolarHBondContact N-O 3.14Å; N271-S273 VanDerWaalsContact OD1-CB 3.28Å; N271-S273 WeakPolarHBondContact OD1-CB 3.45Å; N271-S273 PolarHBondContact OD1-N 2.89Å; N271-S273 PolarHBondContact OD1-OG 2.92Å; N271-S273 VanDerWaalsContact OD1-OG 3.08Å; S273-T275 VanDerWaalsContact C-N 3.26Å; S273-T275 PolarHBondContact O-N 3.08Å; S273-N301 PolarHBondContact N-O 3.04Å; S273-D303 CarbonylContact C-O 3.57Å; S273-D303 WeakPolarHBondContact CA-O 3.49Å; S273-D303 WeakPolarHBondContact CB-O 3.48Å
274N97.1Very high90Very high80 Ų8048.3 Ų48.343%0.42824%0.237SC..THydrogen-bonded Turntrans54.239.8179-166.535.4000113.7C250 D303 H304C250-N274 WeakPolarHBondContact CA-O 3.35Å; C250-N274 PolarHBondContact SG-ND2 3.37Å; C250-N274 VanDerWaalsContact SG-ND2 3.37Å; N274-D303 PolarHBondContact N-O 3.35Å; N274-H304 WeakPolarHBondContact CA-O 3.01Å; N274-H304 HydrophobicContact CB-CB 4.17Å
275T96.6Very high87.7Confident0 Ų051 Ų510%026%0.26CS..SBendtrans-104.14.6179.656.40000113.7L248 N251 L253 L272 S273 L277 N305L248-T275 WeakPolarHBondContact O-CG2 3.34Å; N251-T275 WeakPolarHBondContact O-CA 3.14Å; N251-T275 VanDerWaalsContact O-CB 3.23Å; N251-T275 WeakPolarHBondContact O-CB 3.16Å; N251-T275 WeakPolarHBondContact O-CG2 3.28Å; L253-T275 HydrophobicContact CD1-CG2 3.78Å; L253-T275 HydrophobicContact CG-CG2 4.16Å; L253-T275 PolarHBondContact N-O 3.29Å; L272-T275 HydrophobicContact CB-CG2 4.32Å; L272-T275 WeakPolarHBondContact O-CB 3.35Å; L272-T275 VanDerWaalsContact O-CG2 3.32Å; L272-T275 WeakPolarHBondContact O-CG2 3.48Å; L272-T275 PolarHBondContact O-OG1 2.89Å; S273-T275 VanDerWaalsContact C-N 3.26Å; S273-T275 PolarHBondContact O-N 3.08Å; T275-L277 PolarHBondContact O-N 2.94Å; T275-L277 WeakPolarHBondContact OG1-CD1 3.5Å; T275-L277 WeakPolarHBondContact OG1-CG 3.44Å; T275-N305 PolarHBondContact N-OD1 2.97Å; T275-N305 PolarHBondContact OG1-OD1 2.66Å
276K92.8Very high85Confident134 Ų13454.1 Ų54.158%0.58328%0.278SS*.  trans67.216.9179.9-50.7176.5-179.3176.70114.5N305K276-N305 PolarHBondContact N-OD1 2.79Å
277L93.4Very high82.4Confident0 Ų056.1 Ų56.10%029%0.293CS..  trans-63.9142.7179.6-61.2170.4000111L253 Q255 V258 L272 T275 I280 N305 N306L253-L277 HydrophobicContact CB-CD2 4.41Å; Q255-L277 HydrophobicContact CB-CD2 4.19Å; Q255-L277 HydrophobicContact CG-CB 4.47Å; Q255-L277 HydrophobicContact CG-CD2 3.56Å; V258-L277 HydrophobicContact CG2-CD1 4.47Å; V258-L277 HydrophobicContact CG2-CD2 4.04Å; L272-L277 HydrophobicContact CB-CD1 3.92Å; L272-L277 HydrophobicContact CD1-CD1 3.97Å; L272-L277 HydrophobicContact CG-CD1 4.5Å; T275-L277 PolarHBondContact O-N 2.94Å; T275-L277 WeakPolarHBondContact OG1-CD1 3.5Å; T275-L277 WeakPolarHBondContact OG1-CG 3.44Å; L277-I280 HydrophobicContact CD1-CD1 4.12Å; L277-I280 HydrophobicContact CD1-CG1 4.34Å; L277-N305 HydrophobicContact CB-CB 4.47Å; L277-N305 PolarHBondContact N-OD1 3.14Å; L277-N305 WeakPolarHBondContact O-CB 3.2Å; L277-N306 CarbonylContact O-C 3.46Å; L277-N306 WeakPolarHBondContact O-CA 3.25Å; L277-N306 PolarHBondContact O-N 3.39Å
278S92Very high79.4Confident46 Ų4661 Ų6132%0.32233%0.333SS..SBendtrans-117.8-30.217146.70000112.8Q255Q255-S278 VanDerWaalsContact CD-OG 3.23Å; Q255-S278 PolarHBondContact NE2-OG 3.36Å; Q255-S278 PolarHBondContact OE1-OG 3.08Å
279I88.9Confident76.7Confident55 Ų5561.7 Ų61.728%0.28234%0.342SS..  trans-140.5150.4176.5-169.8163.1000108.7Q255 Q281Q255-I279 WeakPolarHBondContact CB-O 2.99Å; Q255-I279 PolarHBondContact OE1-O 3.48Å; I279-Q281 HydrophobicContact CD1-CG 4.12Å; I279-Q281 HydrophobicContact CG1-CG 4.18Å
280I85.3Confident74.3Confident5 Ų564.1 Ų64.13%0.02636%0.363CS..  trans-125.2120.8164.4-60.3179.3000105.2V258 L272 L277 L282 L302 M312 E315V258-I280 HydrophobicContact CG1-CD1 4.49Å; V258-I280 HydrophobicContact CG1-CG2 4.28Å; L272-I280 HydrophobicContact CD1-CD1 4.2Å; L277-I280 HydrophobicContact CD1-CD1 4.12Å; L277-I280 HydrophobicContact CD1-CG1 4.34Å; I280-L282 HydrophobicContact CG2-CD2 3.9Å; I280-L282 HydrophobicContact CG2-CG 4.41Å; I280-L302 HydrophobicContact CD1-CD2 3.88Å; I280-M312 HydrophobicContact CB-CE 3.94Å; I280-M312 HydrophobicContact CD1-CE 3.49Å; I280-M312 VanDerWaalsContact CD1-CE 3.49Å; I280-M312 HydrophobicContact CG1-CE 3.66Å; I280-E315 WeakPolarHBondContact O-CB 3Å; I280-E315 WeakPolarHBondContact O-CG 3.35Å
281Q82.9Confident72.1Confident119 Ų11967.9 Ų67.956%0.55639%0.386SS*.  trans-99.4112.8172.8-68.9-178.6-16.500107.8I279 E283I279-Q281 HydrophobicContact CD1-CG 4.12Å; I279-Q281 HydrophobicContact CG1-CG 4.18Å; Q281-E283 PolarHBondContact O-N 3.5Å
282L79.6Confident70.4Confident6 Ų672.9 Ų72.93%0.03141%0.413CS..  trans-84.997.9167.7-58.9-177.9000104.3I280 D284 V293 F294 E315 K318 L319I280-L282 HydrophobicContact CG2-CD2 3.9Å; I280-L282 HydrophobicContact CG2-CG 4.41Å; L282-D284 PolarHBondContact O-N 3.03Å; L282-D284 VanDerWaalsContact O-N 3.17Å; L282-V293 HydrophobicContact CB-CG1 4.12Å; L282-V293 HydrophobicContact CD1-CG1 4.29Å; L282-V293 HydrophobicContact CD2-CG1 3.92Å; L282-V293 HydrophobicContact CG-CG1 4.33Å; L282-F294 HydrophobicContact CD2-CD2 4.19Å; L282-F294 HydrophobicContact CD2-CE2 3.94Å; L282-E315 WeakPolarHBondContact CD1-O 3.49Å; L282-E315 PolarHBondContact N-OE2 2.78Å; L282-K318 HydrophobicContact CB-CD 4.33Å; L282-K318 HydrophobicContact CD1-CB 4.3Å; L282-K318 PolarHBondContact O-NZ 2.93Å; L282-L319 HydrophobicContact CD1-CD2 3.65Å; L282-L319 HydrophobicContact CD1-CG 3.88Å
283E67.4Low69.5Low110 Ų11074.6 Ų74.651%0.51442%0.424SS..  trans-34.3122-174.9-77.8176.7-179.200110.2R260 Q281 A285R260-E283 IonicContact CZ-OE1 3.33Å; R260-E283 IonicContact NH1-OE1 3.71Å; R260-E283 PolarHBondContact NH1-OE1 2.84Å; R260-E283 IonicContact NH1-OE2 3.52Å; R260-E283 IonicContact NH2-OE1 3.92Å; Q281-E283 PolarHBondContact O-N 3.5Å; E283-A285 PolarHBondContact O-N 3.44Å
284D46.2Very low69.1Low125 Ų12574 Ų7467%0.66842%0.419SS*.  trans-56.7111.4177.7-90.2-24.6000107.7L282 T286 K318L282-D284 PolarHBondContact O-N 3.03Å; L282-D284 VanDerWaalsContact O-N 3.17Å; D284-T286 PolarHBondContact O-N 2.99Å; D284-K318 IonicContact OD1-NZ 2.85Å; D284-K318 PolarHBondContact OD1-NZ 3.4Å
285A45.1Very low68.8Low57 Ų5772.7 Ų72.747%0.47141%0.414SS..  trans-53.999.9160.400000106E283 Q287E283-A285 PolarHBondContact O-N 3.44Å; A285-Q287 PolarHBondContact O-N 3.13Å
286T37.4Very low68.7Low127 Ų12773.7 Ų73.778%0.77942%0.423SS*.SBendtrans-55.6103.9175.343.70000107.4D284D284-T286 PolarHBondContact O-N 2.99Å
287Q40Very low68.9Low180 Ų18067.4 Ų67.484%0.84140%0.396SS*.SBendtrans62.8112.3174.7-73.5142.43.100116.5A285A285-Q287 PolarHBondContact O-N 3.13Å
288A36.3Very low69.1Low102 Ų10271.8 Ų71.884%0.84342%0.415SS*.SBendtrans92.1-7.2147.300000121.7
289T40.8Very low69.4Low85 Ų8571.1 Ų71.152%0.52141%0.407SS..  trans-143.193.5171.551.10000112.5T291T289-T291 PolarHBondContact O-N 2.96Å
290C47.3Very low69.8Low81 Ų8168.7 Ų68.755%0.54740%0.395SS..THydrogen-bonded Turntrans-7426.3172.9-150.80000112.5
291T50.9Low70.4Confident81 Ų8169.9 Ų69.950%0.49740%0.402SS..THydrogen-bonded Turntrans-99.4-13.2-159.652.20000115.7T289T289-T291 PolarHBondContact O-N 2.96Å
292D64.2Low71Confident118 Ų11864.2 Ų64.263%0.63138%0.375SS*.  trans-118.4-1-160.9-60.1-6.6000114.6F294D292-F294 PolarHBondContact O-N 3.34Å
293V77.9Confident71.9Confident38 Ų3864.8 Ų64.823%0.2338%0.378CS..SBendtrans-85.3112.7179.8-1780000109.8L282L282-V293 HydrophobicContact CB-CG1 4.12Å; L282-V293 HydrophobicContact CD1-CG1 4.29Å; L282-V293 HydrophobicContact CD2-CG1 3.92Å; L282-V293 HydrophobicContact CG-CG1 4.33Å
294F90.1Very high73.3Confident6 Ų664.4 Ų64.43%0.02638%0.376CS..SBendtrans52.764.3-175.2-67.2-77000112.9L261 L267 L270 L282 D292 A296 L297 L319L261-F294 VanDerWaalsContact C-CE1 3.43Å; L261-F294 HydrophobicContact CB-CE1 3.68Å; L261-F294 HydrophobicContact CB-CZ 3.78Å; L267-F294 HydrophobicContact CD2-CD1 4.16Å; L267-F294 HydrophobicContact CD2-CE1 3.97Å; L270-F294 HydrophobicContact CD2-CE1 4.21Å; L270-F294 HydrophobicContact CD2-CZ 4.39Å; L282-F294 HydrophobicContact CD2-CD2 4.19Å; L282-F294 HydrophobicContact CD2-CE2 3.94Å; D292-F294 PolarHBondContact O-N 3.34Å; F294-A296 PolarHBondContact O-N 3.36Å; F294-L297 HydrophobicContact CB-CB 3.77Å; F294-L297 HydrophobicContact CB-CD2 4.15Å; F294-L297 HydrophobicContact CD1-CD2 4.26Å; F294-L297 HydrophobicContact CG-CB 4.48Å; F294-L297 HydrophobicContact CG-CD2 4.15Å; F294-L297 PolarHBondContact O-N 3.29Å; F294-L319 HydrophobicContact CB-CD2 3.79Å; F294-L319 HydrophobicContact CD2-CD2 3.92Å; F294-L319 HydrophobicContact CG-CD2 4.27Å
295P90.3Very high75.7Confident51 Ų5158.7 Ų58.733%0.33135%0.345SS..THydrogen-bonded Turntrans-64.8-21.2-16726.8-36.1000114.3C321P295-C321 PolarHBondContact O-SG 3.36Å; P295-C321 VanDerWaalsContact O-SG 3.38Å
296A94.9Very high78Confident22 Ų2258.9 Ų58.918%0.18234%0.339CS..THydrogen-bonded Turntrans-112-0.7-177.400000114P265 L267 E268 F294 K298P265-A296 WeakPolarHBondContact O-CB 3.47Å; L267-A296 CarbonylContact O-C 3.5Å; E268-A296 WeakPolarHBondContact CA-O 3.23Å; E268-A296 HydrophobicContact CG-CB 4.28Å; F294-A296 PolarHBondContact O-N 3.36Å; A296-K298 PolarHBondContact O-N 3.07Å
297L96.6Very high80.7Confident2 Ų252.9 Ų52.91%0.0130%0.302CS..  trans-71.7115.7-168.8-174.770.1000111.4L267 L270 F294 L319 C321 L322L267-L297 HydrophobicContact CG-CD1 4.44Å; L267-L297 WeakPolarHBondContact O-CA 3.36Å; L267-L297 PolarHBondContact O-N 2.71Å; L267-L297 VanDerWaalsContact O-N 3.12Å; L270-L297 HydrophobicContact CB-CD1 3.65Å; F294-L297 HydrophobicContact CB-CB 3.77Å; F294-L297 HydrophobicContact CB-CD2 4.15Å; F294-L297 HydrophobicContact CD1-CD2 4.26Å; F294-L297 HydrophobicContact CG-CB 4.48Å; F294-L297 HydrophobicContact CG-CD2 4.15Å; F294-L297 PolarHBondContact O-N 3.29Å; L297-L319 HydrophobicContact CD2-CD1 4.22Å; L297-L319 HydrophobicContact CD2-CD2 4.5Å; L297-C321 CarbonylContact O-C 3.59Å; L297-L322 WeakPolarHBondContact O-CA 3.43Å; L297-L322 PolarHBondContact O-N 3.15Å
298K96.7Very high83.2Confident92 Ų9246.7 Ų46.740%0.428%0.278SS..  trans-106.1-35.4-176.5-70.3169.3-167.4166.60112.8E268 A296 C321 V323 K324E268-K298 PolarHBondContact O-N 2.86Å; E268-K298 IonicContact OE1-NZ 2.74Å; E268-K298 IonicContact OE2-NZ 3.93Å; E268-K298 PolarHBondContact OE2-NZ 3.43Å; A296-K298 PolarHBondContact O-N 3.07Å; K298-C321 WeakPolarHBondContact CA-O 3.5Å; K298-C321 HydrophobicContact CG-CB 4.43Å; K298-V323 HydrophobicContact CB-CG2 3.96Å; K298-V323 HydrophobicContact CG-CG2 4.47Å; K298-V323 WeakPolarHBondContact O-CG2 3.35Å; K298-V323 PolarHBondContact O-N 3.26Å; K298-K324 PolarHBondContact O-N 3.42Å
299N97.7Very high85.8Confident31 Ų3147.3 Ų47.317%0.16626%0.264CS..EExtended strand (participates in β ladder)trans-128.4121.5-175-173.4-2.5000110.7E268 W269 L270 K324E268-N299 PolarHBondContact O-N 3.48Å; W269-N299 WeakPolarHBondContact CA-O 3.49Å; W269-N299 VanDerWaalsContact CD1-CG 3.42Å; W269-N299 HydrophobicContact CG-CB 4.33Å; W269-N299 PolarHBondContact NE1-ND2 2.92Å; W269-N299 VanDerWaalsContact NE1-ND2 3.18Å; L270-N299 PolarHBondContact N-O 2.91Å; N299-K324 WeakPolarHBondContact CA-O 3.07Å; N299-K324 HydrophobicContact CB-CB 4.16Å
300L97.6Very high88.1Confident5 Ų545.3 Ų45.33%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-123.8126.7178-178.661.5000110.2L270 L272 L302 L316 L319 L322 K324 L325 S326L270-L300 HydrophobicContact CB-CD1 4.07Å; L270-L300 HydrophobicContact CD2-CD1 4.09Å; L270-L300 HydrophobicContact CG-CD1 4.09Å; L270-L300 WeakPolarHBondContact O-CA 3.4Å; L272-L300 HydrophobicContact CD1-CD1 4.26Å; L300-L302 HydrophobicContact CD1-CD2 4.12Å; L300-L302 HydrophobicContact CD1-CG 4.46Å; L300-L302 HydrophobicContact CD2-CD1 3.93Å; L300-L302 HydrophobicContact CD2-CD2 4.23Å; L300-L302 HydrophobicContact CD2-CG 4.09Å; L300-L302 HydrophobicContact CG-CD1 4.31Å; L300-L302 HydrophobicContact CG-CD2 4.11Å; L300-L302 HydrophobicContact CG-CG 3.93Å; L300-L316 HydrophobicContact CD2-CD2 3.59Å; L300-L319 HydrophobicContact CD2-CD1 4.34Å; L300-L322 HydrophobicContact CB-CD1 3.69Å; L300-K324 PolarHBondContact N-O 3.16Å; L300-L325 HydrophobicContact CB-CD1 4.31Å; L300-L325 HydrophobicContact CD2-CD1 4.38Å; L300-L325 HydrophobicContact CG-CD1 4.39Å; L300-L325 WeakPolarHBondContact O-CA 3.41Å; L300-S326 PolarHBondContact O-N 3.07Å
301N97.8Very high90.1Very high30 Ų3044.2 Ų44.216%0.1624%0.24CC..EExtended strand (participates in β ladder)trans-109.3121.5172.7-175-6.5000110.7L270 N271 L272 S273 D303L270-N301 PolarHBondContact O-N 3.22Å; N271-N301 HydrophobicContact CB-CB 4.23Å; N271-N301 WeakPolarHBondContact OD1-CB 3.46Å; N271-N301 VanDerWaalsContact OD1-CG 3.31Å; N271-N301 PolarHBondContact OD1-ND2 3.39Å; L272-N301 CarbonylContact C-O 3.52Å; L272-N301 WeakPolarHBondContact CA-O 3.49Å; L272-N301 PolarHBondContact N-O 3.34Å; S273-N301 PolarHBondContact N-O 3.04Å; N301-D303 WeakPolarHBondContact OD1-CB 3.43Å; N301-D303 PolarHBondContact OD1-N 3.34Å; N301-D303 PolarHBondContact OD1-OD1 3.44Å; N301-D303 PolarHBondContact OD1-OD2 2.92Å
302L97.1Very high91.9Very high0 Ų040.4 Ų40.40%022%0.217CC..  trans-124.118.6179.7-59.1174.5000112.1L272 I280 L300 N305 I307 M312 L316 L325 S326 N330L272-L302 HydrophobicContact CB-CD2 4.09Å; L272-L302 HydrophobicContact CD1-CD2 4.11Å; I280-L302 HydrophobicContact CD1-CD2 3.88Å; L300-L302 HydrophobicContact CD1-CD2 4.12Å; L300-L302 HydrophobicContact CD1-CG 4.46Å; L300-L302 HydrophobicContact CD2-CD1 3.93Å; L300-L302 HydrophobicContact CD2-CD2 4.23Å; L300-L302 HydrophobicContact CD2-CG 4.09Å; L300-L302 HydrophobicContact CG-CD1 4.31Å; L300-L302 HydrophobicContact CG-CD2 4.11Å; L300-L302 HydrophobicContact CG-CG 3.93Å; L302-N305 VanDerWaalsContact C-ND2 3.32Å; L302-N305 PolarHBondContact O-ND2 2.84Å; L302-I307 HydrophobicContact CB-CD1 4.06Å; L302-I307 HydrophobicContact CD1-CD1 3.99Å; L302-M312 HydrophobicContact CD1-CE 3.45Å; L302-M312 VanDerWaalsContact CD1-CE 3.45Å; L302-M312 HydrophobicContact CD1-SD 4.36Å; L302-L316 HydrophobicContact CD1-CD1 3.89Å; L302-L316 HydrophobicContact CD1-CD2 4.48Å; L302-L325 HydrophobicContact CD1-CD1 4.03Å; L302-L325 HydrophobicContact CG-CD1 4.42Å; L302-S326 WeakPolarHBondContact CA-O 3.22Å; L302-S326 PolarHBondContact N-O 3.05Å; L302-N330 PolarHBondContact O-ND2 2.9Å
303D97Very high93.2Very high18 Ų1834.9 Ų34.910%0.09619%0.187CC..THydrogen-bonded Turntrans-57.6151-178.2-65.6-14.7000112S273 N274 N301 N305 S326 C327 R328S273-D303 CarbonylContact C-O 3.57Å; S273-D303 WeakPolarHBondContact CA-O 3.49Å; S273-D303 WeakPolarHBondContact CB-O 3.48Å; N274-D303 PolarHBondContact N-O 3.35Å; N301-D303 WeakPolarHBondContact OD1-CB 3.43Å; N301-D303 PolarHBondContact OD1-N 3.34Å; N301-D303 PolarHBondContact OD1-OD1 3.44Å; N301-D303 PolarHBondContact OD1-OD2 2.92Å; D303-N305 VanDerWaalsContact C-N 3.32Å; D303-N305 PolarHBondContact O-N 2.92Å; D303-N305 PolarHBondContact O-ND2 3.25Å; D303-S326 WeakPolarHBondContact OD1-CB 3.22Å; D303-S326 PolarHBondContact OD1-OG 2.79Å; D303-S326 PolarHBondContact OD2-OG 2.93Å; D303-C327 PolarHBondContact OD1-N 2.85Å; D303-R328 CarbonylContact C-O 3.6Å; D303-R328 VanDerWaalsContact CA-O 3.27Å; D303-R328 WeakPolarHBondContact CA-O 3.45Å; D303-R328 HydrophobicContact CB-CB 4.36Å; D303-R328 WeakPolarHBondContact OD1-CB 3.39Å; D303-R328 PolarHBondContact OD1-N 3.46Å
304H96.6Very high93.7Very high101 Ų10134 Ų3447%0.46818%0.181SC..THydrogen-bonded Turntrans5839.9173.9-54.182.6000113.8N274 R328 D329N274-H304 WeakPolarHBondContact CA-O 3.01Å; N274-H304 HydrophobicContact CB-CB 4.17Å; H304-R328 PolarHBondContact N-O 3.21Å; H304-D329 WeakPolarHBondContact CA-O 3.4Å; H304-D329 IonicContact CD2-OD2 3.11Å; H304-D329 IonicContact CE1-OD2 2.74Å; H304-D329 IonicContact NE2-OD2 3.34Å; H304-D329 PolarHBondContact NE2-OD2 3.07Å
305N96.6Very high93.7Very high5 Ų535.5 Ų35.53%0.02719%0.188CC..SBendtrans-108-174.7174.3-80.4-59.7000111.1L272 T275 K276 L277 L302 D303 I307 N330L272-N305 PolarHBondContact O-ND2 2.98Å; T275-N305 PolarHBondContact N-OD1 2.97Å; T275-N305 PolarHBondContact OG1-OD1 2.66Å; K276-N305 PolarHBondContact N-OD1 2.79Å; L277-N305 HydrophobicContact CB-CB 4.47Å; L277-N305 PolarHBondContact N-OD1 3.14Å; L277-N305 WeakPolarHBondContact O-CB 3.2Å; L302-N305 VanDerWaalsContact C-ND2 3.32Å; L302-N305 PolarHBondContact O-ND2 2.84Å; D303-N305 VanDerWaalsContact C-N 3.32Å; D303-N305 PolarHBondContact O-N 2.92Å; D303-N305 PolarHBondContact O-ND2 3.25Å; N305-I307 HydrophobicContact CB-CD1 4.33Å; N305-I307 HydrophobicContact CB-CG1 4.24Å; N305-N330 WeakPolarHBondContact CA-OD1 3.2Å; N305-N330 WeakPolarHBondContact CB-OD1 3.37Å; N305-N330 PolarHBondContact N-OD1 3.5Å; N305-N330 PolarHBondContact O-OD1 3.3Å
306N94.9Very high93.7Very high61 Ų6133.3 Ų33.333%0.32617%0.173SC..  trans-105.827.8-178.9-70.3-51.8000112.3L277 S308 K331L277-N306 CarbonylContact O-C 3.46Å; L277-N306 WeakPolarHBondContact O-CA 3.25Å; L277-N306 PolarHBondContact O-N 3.39Å; N306-S308 PolarHBondContact O-N 3.27Å; N306-K331 WeakPolarHBondContact OD1-CE 3.36Å; N306-K331 PolarHBondContact OD1-NZ 3.47Å
307I93.8Very high93.4Very high1 Ų134.5 Ų34.51%0.00518%0.183CC..  trans-70.2115.4-176.9-57.5164.9000108.8L302 N305 M312 N330 K331 L332L302-I307 HydrophobicContact CB-CD1 4.06Å; L302-I307 HydrophobicContact CD1-CD1 3.99Å; N305-I307 HydrophobicContact CB-CD1 4.33Å; N305-I307 HydrophobicContact CB-CG1 4.24Å; I307-M312 HydrophobicContact CD1-CE 4.01Å; I307-M312 HydrophobicContact CD1-SD 3.91Å; I307-M312 HydrophobicContact CG1-SD 4.44Å; I307-M312 HydrophobicContact CG2-CB 4.01Å; I307-M312 HydrophobicContact CG2-CG 4Å; I307-M312 HydrophobicContact CG2-SD 3.98Å; I307-N330 HydrophobicContact CB-CB 4.23Å; I307-N330 VanDerWaalsContact CB-OD1 3.28Å; I307-N330 WeakPolarHBondContact CB-OD1 3.28Å; I307-N330 WeakPolarHBondContact CG1-OD1 3.26Å; I307-N330 PolarHBondContact N-OD1 3.27Å; I307-K331 CarbonylContact O-C 3.33Å; I307-K331 VanDerWaalsContact O-CA 3.28Å; I307-K331 WeakPolarHBondContact O-CA 3.28Å; I307-K331 PolarHBondContact O-N 2.53Å; I307-L332 HydrophobicContact CG2-CD1 4.39Å; I307-L332 HydrophobicContact CG2-CD2 4.22Å; I307-L332 HydrophobicContact CG2-CG 4.19Å; I307-L332 PolarHBondContact O-N 3.07Å
308S91.9Very high92.9Very high50 Ų5036.5 Ų36.535%0.3519%0.192SC..  trans-114.7-23177.462.80000113.8N306N306-S308 PolarHBondContact O-N 3.27Å
309E90.6Very high92.6Very high115 Ų11532.6 Ų32.654%0.53718%0.176SC..  trans-101.9133.9-171.6-59.2-52.5131.800112.4S311 M312E309-S311 WeakPolarHBondContact CB-OG 3.32Å; E309-S311 PolarHBondContact O-N 2.95Å; E309-M312 WeakPolarHBondContact O-CB 3.47Å; E309-M312 PolarHBondContact O-N 3.07Å
310W90.3Very high92.1Very high44 Ų4434.2 Ų34.217%0.16719%0.188CC..Hα-helixtrans-66.8-18.4175.9-71.7102.9000113.6M312 V313 N314 L332 V333 V342 M345 L346 K349W310-M312 PolarHBondContact O-N 3.46Å; W310-V313 HydrophobicContact CE3-CB 4.13Å; W310-V313 HydrophobicContact CE3-CG1 4.42Å; W310-V313 HydrophobicContact CE3-CG2 3.8Å; W310-V313 HydrophobicContact CZ3-CG2 4.09Å; W310-V313 WeakPolarHBondContact O-CB 3.4Å; W310-V313 PolarHBondContact O-N 2.9Å; W310-V313 VanDerWaalsContact O-N 3.08Å; W310-N314 PolarHBondContact O-N 3.44Å; W310-N314 VanDerWaalsContact O-N 3.12Å; W310-L332 HydrophobicContact CD2-CD2 4.11Å; W310-L332 HydrophobicContact CE3-CD2 4.36Å; W310-L332 HydrophobicContact CG-CD2 4.46Å; W310-L332 HydrophobicContact CZ2-CD2 4.49Å; W310-V333 PolarHBondContact NE1-O 2.79Å; W310-V342 HydrophobicContact CH2-CG1 3.94Å; W310-V342 HydrophobicContact CZ2-CG1 4.27Å; W310-M345 HydrophobicContact CD2-CE 3.67Å; W310-M345 HydrophobicContact CE3-CE 4.06Å; W310-M345 HydrophobicContact CG-CE 4.23Å; W310-M345 HydrophobicContact CH2-CB 3.27Å; W310-M345 HydrophobicContact CH2-CE 4.02Å; W310-M345 HydrophobicContact CH2-CG 4.21Å; W310-M345 HydrophobicContact CH2-SD 4.01Å; W310-M345 HydrophobicContact CZ2-CB 3.82Å; W310-M345 HydrophobicContact CZ2-CE 3.6Å; W310-M345 HydrophobicContact CZ2-CG 4.29Å; W310-M345 HydrophobicContact CZ2-SD 3.5Å; W310-M345 WeakPolarHBondContact CZ2-SD 3.34Å; W310-M345 HydrophobicContact CZ3-CB 3.7Å; W310-M345 HydrophobicContact CZ3-CE 4.22Å; W310-L346 HydrophobicContact CH2-CG 4.28Å; W310-L346 HydrophobicContact CZ3-CD2 3.94Å; W310-L346 HydrophobicContact CZ3-CG 4.05Å; W310-K349 HydrophobicContact CE3-CD 3.79Å; W310-K349 HydrophobicContact CZ3-CD 4.3Å
311S88.1Confident92Very high58 Ų5836.4 Ų36.441%0.40620%0.203SC..Hα-helixtrans-58.4-35.2173.155.10000112.1E309 V313 N314 E315E309-S311 WeakPolarHBondContact CB-OG 3.32Å; E309-S311 PolarHBondContact O-N 2.95Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-V313 PolarHBondContact O-N 2.91Å; S311-N314 WeakPolarHBondContact O-CB 2.91Å; S311-N314 PolarHBondContact O-N 3.16Å; S311-E315 PolarHBondContact O-N 3.48Å; S311-E315 VanDerWaalsContact O-N 3.12Å
312M90Very high91.9Very high1 Ų135.4 Ų35.41%0.00520%0.197CC..Hα-helixtrans-62.9-40.7174.7-175.2-79.2165.300111.6I280 L302 I307 E309 W310 N314 E315 L316I280-M312 HydrophobicContact CB-CE 3.94Å; I280-M312 HydrophobicContact CD1-CE 3.49Å; I280-M312 VanDerWaalsContact CD1-CE 3.49Å; I280-M312 HydrophobicContact CG1-CE 3.66Å; L302-M312 HydrophobicContact CD1-CE 3.45Å; L302-M312 VanDerWaalsContact CD1-CE 3.45Å; L302-M312 HydrophobicContact CD1-SD 4.36Å; I307-M312 HydrophobicContact CD1-CE 4.01Å; I307-M312 HydrophobicContact CD1-SD 3.91Å; I307-M312 HydrophobicContact CG1-SD 4.44Å; I307-M312 HydrophobicContact CG2-CB 4.01Å; I307-M312 HydrophobicContact CG2-CG 4Å; I307-M312 HydrophobicContact CG2-SD 3.98Å; E309-M312 WeakPolarHBondContact O-CB 3.47Å; E309-M312 PolarHBondContact O-N 3.07Å; W310-M312 PolarHBondContact O-N 3.46Å; M312-N314 VanDerWaalsContact C-N 3.28Å; M312-N314 PolarHBondContact O-N 3.06Å; M312-E315 WeakPolarHBondContact O-CB 3.46Å; M312-E315 PolarHBondContact O-N 2.88Å; M312-E315 VanDerWaalsContact O-N 3.17Å; M312-L316 HydrophobicContact CE-CD1 3.98Å; M312-L316 HydrophobicContact CE-CD2 3.76Å; M312-L316 HydrophobicContact CE-CG 3.91Å; M312-L316 PolarHBondContact O-N 3.12Å; M312-L316 HydrophobicContact SD-CD1 4Å; M312-L316 HydrophobicContact SD-CG 4.09Å
313V91.4Very high91.8Very high1 Ų137.7 Ų37.71%0.00621%0.211CC..Hα-helixtrans-64.8-36.3176.3179.70000110.9W310 S311 E315 L316 A317 L332 L346 K349 L350W310-V313 HydrophobicContact CE3-CB 4.13Å; W310-V313 HydrophobicContact CE3-CG1 4.42Å; W310-V313 HydrophobicContact CE3-CG2 3.8Å; W310-V313 HydrophobicContact CZ3-CG2 4.09Å; W310-V313 WeakPolarHBondContact O-CB 3.4Å; W310-V313 PolarHBondContact O-N 2.9Å; W310-V313 VanDerWaalsContact O-N 3.08Å; S311-V313 VanDerWaalsContact C-N 3.34Å; S311-V313 PolarHBondContact O-N 2.91Å; V313-E315 VanDerWaalsContact C-N 3.29Å; V313-E315 PolarHBondContact O-N 3.45Å; V313-L316 WeakPolarHBondContact O-CB 3.26Å; V313-L316 PolarHBondContact O-N 2.91Å; V313-L316 VanDerWaalsContact O-N 3.16Å; V313-A317 PolarHBondContact O-N 3.36Å; V313-L332 HydrophobicContact CG2-CD1 4.15Å; V313-L346 HydrophobicContact CB-CD2 4.43Å; V313-L346 HydrophobicContact CG1-CD2 3.82Å; V313-L346 HydrophobicContact CG2-CD2 3.67Å; V313-K349 HydrophobicContact CG1-CB 4.06Å; V313-K349 HydrophobicContact CG1-CD 4.29Å; V313-L350 HydrophobicContact CG1-CD1 4.22Å; V313-L350 HydrophobicContact CG1-CD2 4.24Å; V313-L350 HydrophobicContact CG1-CG 4.08Å
314N88.6Confident91.9Very high20 Ų2039.5 Ų39.511%0.10722%0.218CC..Hα-helixtrans-64.7-35175.6-62.8-14000111.6W310 S311 M312 L316 A317 C396 Q397 P399W310-N314 PolarHBondContact O-N 3.44Å; W310-N314 VanDerWaalsContact O-N 3.12Å; S311-N314 WeakPolarHBondContact O-CB 2.91Å; S311-N314 PolarHBondContact O-N 3.16Å; M312-N314 VanDerWaalsContact C-N 3.28Å; M312-N314 PolarHBondContact O-N 3.06Å; N314-L316 VanDerWaalsContact C-N 3.32Å; N314-L316 PolarHBondContact O-N 3.41Å; N314-A317 VanDerWaalsContact O-CB 3.32Å; N314-A317 WeakPolarHBondContact O-CB 3.24Å; N314-A317 PolarHBondContact O-N 3.19Å; N314-C396 PolarHBondContact ND2-O 3.16Å; N314-Q397 PolarHBondContact ND2-O 3.4Å; N314-P399 HydrophobicContact CB-CG 4.36Å
315E88.3Confident91.9Very high38 Ų3834.7 Ų34.718%0.17820%0.196CC..Hα-helixtrans-62.1-40172.1-67.3-67.1124.500111.5I280 L282 S311 M312 V313 A317 K318I280-E315 WeakPolarHBondContact O-CB 3Å; I280-E315 WeakPolarHBondContact O-CG 3.35Å; L282-E315 WeakPolarHBondContact CD1-O 3.49Å; L282-E315 PolarHBondContact N-OE2 2.78Å; S311-E315 PolarHBondContact O-N 3.48Å; S311-E315 VanDerWaalsContact O-N 3.12Å; M312-E315 WeakPolarHBondContact O-CB 3.46Å; M312-E315 PolarHBondContact O-N 2.88Å; M312-E315 VanDerWaalsContact O-N 3.17Å; V313-E315 VanDerWaalsContact C-N 3.29Å; V313-E315 PolarHBondContact O-N 3.45Å; E315-A317 PolarHBondContact O-N 2.83Å; E315-K318 VanDerWaalsContact O-CB 3.22Å; E315-K318 WeakPolarHBondContact O-CB 3.33Å; E315-K318 WeakPolarHBondContact O-CG 3.43Å; E315-K318 PolarHBondContact O-N 3.05Å; E315-K318 VanDerWaalsContact OE1-CE 3.3Å; E315-K318 WeakPolarHBondContact OE1-CE 3.42Å; E315-K318 IonicContact OE1-NZ 2.71Å; E315-K318 PolarHBondContact OE1-NZ 3.2Å; E315-K318 IonicContact OE2-NZ 3.61Å; E315-K318 PolarHBondContact OE2-NZ 3.44Å
316L91.4Very high92Very high4 Ų434.6 Ų34.62%0.02120%0.196CC..Hα-helixtrans-62.9-25.8176.2-59.7-177.4000113.2L300 L302 M312 V313 N314 K318 L319 L322 L325 L350L300-L316 HydrophobicContact CD2-CD2 3.59Å; L302-L316 HydrophobicContact CD1-CD1 3.89Å; L302-L316 HydrophobicContact CD1-CD2 4.48Å; M312-L316 HydrophobicContact CE-CD1 3.98Å; M312-L316 HydrophobicContact CE-CD2 3.76Å; M312-L316 HydrophobicContact CE-CG 3.91Å; M312-L316 PolarHBondContact O-N 3.12Å; M312-L316 HydrophobicContact SD-CD1 4Å; M312-L316 HydrophobicContact SD-CG 4.09Å; V313-L316 WeakPolarHBondContact O-CB 3.26Å; V313-L316 PolarHBondContact O-N 2.91Å; V313-L316 VanDerWaalsContact O-N 3.16Å; N314-L316 VanDerWaalsContact C-N 3.32Å; N314-L316 PolarHBondContact O-N 3.41Å; L316-K318 PolarHBondContact O-N 2.86Å; L316-L319 HydrophobicContact CB-CD1 4.5Å; L316-L319 HydrophobicContact CD2-CD1 3.94Å; L316-L319 WeakPolarHBondContact O-CB 3.3Å; L316-L319 PolarHBondContact O-N 3.08Å; L316-L319 VanDerWaalsContact O-N 3.12Å; L316-L322 HydrophobicContact CB-CD2 4.41Å; L316-L325 HydrophobicContact CD1-CD1 4.05Å; L316-L325 HydrophobicContact CD1-CD2 4.09Å; L316-L350 HydrophobicContact CB-CD2 4.09Å
317A87.6Confident92Very high47 Ų4732.2 Ų32.239%0.38818%0.184SC..THydrogen-bonded Turntrans-67.2-16.8175.100000112.9V313 N314 E315 L319 L350V313-A317 PolarHBondContact O-N 3.36Å; N314-A317 VanDerWaalsContact O-CB 3.32Å; N314-A317 WeakPolarHBondContact O-CB 3.24Å; N314-A317 PolarHBondContact O-N 3.19Å; E315-A317 PolarHBondContact O-N 2.83Å; A317-L319 PolarHBondContact O-N 2.72Å; A317-L350 HydrophobicContact CB-CD2 4.01Å
318K86.2Confident91.9Very high45 Ų4537.4 Ų37.420%0.19620%0.203CC..THydrogen-bonded Turntrans-73.2-13173.2-58.7173.4170.8175.10112.6L282 D284 E315 L316 P320L282-K318 HydrophobicContact CB-CD 4.33Å; L282-K318 HydrophobicContact CD1-CB 4.3Å; L282-K318 PolarHBondContact O-NZ 2.93Å; D284-K318 IonicContact OD1-NZ 2.85Å; D284-K318 PolarHBondContact OD1-NZ 3.4Å; E315-K318 VanDerWaalsContact O-CB 3.22Å; E315-K318 WeakPolarHBondContact O-CB 3.33Å; E315-K318 WeakPolarHBondContact O-CG 3.43Å; E315-K318 PolarHBondContact O-N 3.05Å; E315-K318 VanDerWaalsContact OE1-CE 3.3Å; E315-K318 WeakPolarHBondContact OE1-CE 3.42Å; E315-K318 IonicContact OE1-NZ 2.71Å; E315-K318 PolarHBondContact OE1-NZ 3.2Å; E315-K318 IonicContact OE2-NZ 3.61Å; E315-K318 PolarHBondContact OE2-NZ 3.44Å; L316-K318 PolarHBondContact O-N 2.86Å; K318-P320 WeakPolarHBondContact O-CD 3.49Å
319L90.6Very high92Very high10 Ų1040.3 Ų40.35%0.05222%0.215CC..  trans-80.9113.6-178.9-61.6171.4000110.5L282 F294 L297 L300 L316 A317 C321 L322L282-L319 HydrophobicContact CD1-CD2 3.65Å; L282-L319 HydrophobicContact CD1-CG 3.88Å; F294-L319 HydrophobicContact CB-CD2 3.79Å; F294-L319 HydrophobicContact CD2-CD2 3.92Å; F294-L319 HydrophobicContact CG-CD2 4.27Å; L297-L319 HydrophobicContact CD2-CD1 4.22Å; L297-L319 HydrophobicContact CD2-CD2 4.5Å; L300-L319 HydrophobicContact CD2-CD1 4.34Å; L316-L319 HydrophobicContact CB-CD1 4.5Å; L316-L319 HydrophobicContact CD2-CD1 3.94Å; L316-L319 WeakPolarHBondContact O-CB 3.3Å; L316-L319 PolarHBondContact O-N 3.08Å; L316-L319 VanDerWaalsContact O-N 3.12Å; A317-L319 PolarHBondContact O-N 2.72Å; L319-C321 PolarHBondContact O-N 3.16Å; L319-L322 HydrophobicContact CB-CB 3.86Å; L319-L322 HydrophobicContact CD1-CB 4.47Å; L319-L322 HydrophobicContact CD1-CD1 4.48Å; L319-L322 HydrophobicContact CD1-CD2 4.04Å
320P88.8Confident92.1Very high65 Ų6536.2 Ų36.242%0.42220%0.197SC..THydrogen-bonded Turntrans-72.3-26.6-166.327.2-35.4000114.2K318K318-P320 WeakPolarHBondContact O-CD 3.49Å
321C93.8Very high92.2Very high50 Ų5039.8 Ų39.834%0.33821%0.214SC..THydrogen-bonded Turntrans-112.27-174.3-65.50000113.9P295 L297 K298 L319 V323P295-C321 PolarHBondContact O-SG 3.36Å; P295-C321 VanDerWaalsContact O-SG 3.38Å; L297-C321 CarbonylContact O-C 3.59Å; K298-C321 WeakPolarHBondContact CA-O 3.5Å; K298-C321 HydrophobicContact CG-CB 4.43Å; L319-C321 PolarHBondContact O-N 3.16Å; C321-V323 PolarHBondContact O-N 3.3Å; C321-V323 VanDerWaalsContact O-N 3.14Å
322L95.4Very high92.2Very high9 Ų937.9 Ų37.95%0.04720%0.199CC..  trans-69.7112.9-174.4-173.174.2000110.9L297 L300 L316 L319L297-L322 WeakPolarHBondContact O-CA 3.43Å; L297-L322 PolarHBondContact O-N 3.15Å; L300-L322 HydrophobicContact CB-CD1 3.69Å; L316-L322 HydrophobicContact CB-CD2 4.41Å; L319-L322 HydrophobicContact CB-CB 3.86Å; L319-L322 HydrophobicContact CD1-CB 4.47Å; L319-L322 HydrophobicContact CD1-CD1 4.48Å; L319-L322 HydrophobicContact CD1-CD2 4.04Å
323V96.9Very high91.8Very high49 Ų4942.5 Ų42.530%0.29723%0.227SC..  trans-117.5-18.6-179.3-67.30000113.1K298 C321 L354 Y355K298-V323 HydrophobicContact CB-CG2 3.96Å; K298-V323 HydrophobicContact CG-CG2 4.47Å; K298-V323 WeakPolarHBondContact O-CG2 3.35Å; K298-V323 PolarHBondContact O-N 3.26Å; C321-V323 PolarHBondContact O-N 3.3Å; C321-V323 VanDerWaalsContact O-N 3.14Å; V323-L354 HydrophobicContact CB-CB 4.44Å; V323-L354 HydrophobicContact CB-CD1 4.16Å; V323-L354 HydrophobicContact CB-CG 4.16Å; V323-L354 HydrophobicContact CG1-CD1 4.17Å; V323-L354 HydrophobicContact CG1-CG 4.31Å; V323-L354 PolarHBondContact O-N 2.67Å; V323-Y355 PolarHBondContact O-N 3.02Å
324K98.1Very high91.1Very high55 Ų5542.7 Ų42.724%0.23923%0.228CC..EExtended strand (participates in β ladder)trans-131.9128.3178.6-178163.4177.2176.70111K298 N299 L300 Y355 N358K298-K324 PolarHBondContact O-N 3.42Å; N299-K324 WeakPolarHBondContact CA-O 3.07Å; N299-K324 HydrophobicContact CB-CB 4.16Å; L300-K324 PolarHBondContact N-O 3.16Å; K324-Y355 WeakPolarHBondContact CA-O 3.28Å; K324-Y355 HydrophobicContact CD-CG 4.4Å; K324-N358 WeakPolarHBondContact CE-OD1 3.47Å; K324-N358 PolarHBondContact NZ-OD1 2.93Å
325L97.8Very high90.2Very high0 Ų047 Ų470%026%0.259CS..EExtended strand (participates in β ladder)trans-131132.9179177.964.7000109L300 L302 L316 C327 L350 L353 Y355 L356 N357L300-L325 HydrophobicContact CB-CD1 4.31Å; L300-L325 HydrophobicContact CD2-CD1 4.38Å; L300-L325 HydrophobicContact CG-CD1 4.39Å; L300-L325 WeakPolarHBondContact O-CA 3.41Å; L302-L325 HydrophobicContact CD1-CD1 4.03Å; L302-L325 HydrophobicContact CG-CD1 4.42Å; L316-L325 HydrophobicContact CD1-CD1 4.05Å; L316-L325 HydrophobicContact CD1-CD2 4.09Å; L325-C327 HydrophobicContact CD2-CB 4.46Å; L325-C327 HydrophobicContact CG-CB 4.33Å; L325-L350 HydrophobicContact CD2-CD1 3.47Å; L325-L350 VanDerWaalsContact CD2-CD1 3.47Å; L325-L353 HydrophobicContact CB-CD1 3.62Å; L325-L353 HydrophobicContact CB-CD2 4.1Å; L325-Y355 PolarHBondContact N-O 3.2Å; L325-L356 HydrophobicContact CB-CD1 4.45Å; L325-L356 HydrophobicContact CD2-CD1 4.4Å; L325-L356 HydrophobicContact CG-CD1 4.44Å; L325-L356 CarbonylContact O-C 3.58Å; L325-L356 WeakPolarHBondContact O-CA 3.33Å; L325-N357 PolarHBondContact O-N 3.25Å
326S96.8Very high89.3Confident3 Ų349.6 Ų49.62%0.02128%0.275CS..EExtended strand (participates in β ladder)trans-114.4128.9161.9-153.40000108.6L300 L302 D303 N357L300-S326 PolarHBondContact O-N 3.07Å; L302-S326 WeakPolarHBondContact CA-O 3.22Å; L302-S326 PolarHBondContact N-O 3.05Å; D303-S326 WeakPolarHBondContact OD1-CB 3.22Å; D303-S326 PolarHBondContact OD1-OG 2.79Å; D303-S326 PolarHBondContact OD2-OG 2.93Å; S326-N357 WeakPolarHBondContact CA-OD1 3.43Å
327C94.8Very high88.1Confident12 Ų1251.9 Ų51.98%0.08130%0.3CS..  trans-143.232.7-176.6-161.20000111.2D303 L325 N330 N357D303-C327 PolarHBondContact OD1-N 2.85Å; L325-C327 HydrophobicContact CD2-CB 4.46Å; L325-C327 HydrophobicContact CG-CB 4.33Å; C327-N330 PolarHBondContact O-ND2 2.74Å; C327-N330 PolarHBondContact SG-ND2 3.27Å; C327-N357 PolarHBondContact N-OD1 2.85Å
328R93.4Very high87.4Confident109 Ų10952.8 Ų52.841%0.41130%0.298SS..THydrogen-bonded Turntrans-65.5155.2179.4-60.8178.2174.5-87.22.4110.9D303 H304 N330 N357D303-R328 CarbonylContact C-O 3.6Å; D303-R328 VanDerWaalsContact CA-O 3.27Å; D303-R328 WeakPolarHBondContact CA-O 3.45Å; D303-R328 HydrophobicContact CB-CB 4.36Å; D303-R328 WeakPolarHBondContact OD1-CB 3.39Å; D303-R328 PolarHBondContact OD1-N 3.46Å; H304-R328 PolarHBondContact N-O 3.21Å; R328-N330 PolarHBondContact O-N 2.86Å; R328-N330 VanDerWaalsContact O-N 3.16Å; R328-N330 PolarHBondContact O-ND2 3.4Å; R328-N330 VanDerWaalsContact O-ND2 3.14Å; R328-N357 HydrophobicContact CG-CB 4.04Å; R328-N357 WeakPolarHBondContact CG-OD1 3.32Å; R328-N357 PolarHBondContact N-OD1 3.03Å; R328-N357 PolarHBondContact NH2-O 3.04Å
329D92.6Very high86.6Confident111 Ų11155.4 Ų55.459%0.59432%0.319SS*.THydrogen-bonded Turntrans5440.1171.3-54.1-55.2000113.7H304H304-D329 WeakPolarHBondContact CA-O 3.4Å; H304-D329 IonicContact CD2-OD2 3.11Å; H304-D329 IonicContact CE1-OD2 2.74Å; H304-D329 IonicContact NE2-OD2 3.34Å; H304-D329 PolarHBondContact NE2-OD2 3.07Å
330N93.6Very high86Confident30 Ų3062.3 Ų62.316%0.1635%0.349CS..  trans-101.9-179.9168-82.8-80.7000110.6L302 N305 I307 C327 R328L302-N330 PolarHBondContact O-ND2 2.9Å; N305-N330 WeakPolarHBondContact CA-OD1 3.2Å; N305-N330 WeakPolarHBondContact CB-OD1 3.37Å; N305-N330 PolarHBondContact N-OD1 3.5Å; N305-N330 PolarHBondContact O-OD1 3.3Å; I307-N330 HydrophobicContact CB-CB 4.23Å; I307-N330 VanDerWaalsContact CB-OD1 3.28Å; I307-N330 WeakPolarHBondContact CB-OD1 3.28Å; I307-N330 WeakPolarHBondContact CG1-OD1 3.26Å; I307-N330 PolarHBondContact N-OD1 3.27Å; C327-N330 PolarHBondContact O-ND2 2.74Å; C327-N330 PolarHBondContact SG-ND2 3.27Å; R328-N330 PolarHBondContact O-N 2.86Å; R328-N330 VanDerWaalsContact O-N 3.16Å; R328-N330 PolarHBondContact O-ND2 3.4Å; R328-N330 VanDerWaalsContact O-ND2 3.14Å
331K91.5Very high85.8Confident119 Ų11959.5 Ų59.552%0.51733%0.331SS..  trans-105.520.8-175.8-63.4175.2177.1165.10112.9N306 I307 V333N306-K331 WeakPolarHBondContact OD1-CE 3.36Å; N306-K331 PolarHBondContact OD1-NZ 3.47Å; I307-K331 CarbonylContact O-C 3.33Å; I307-K331 VanDerWaalsContact O-CA 3.28Å; I307-K331 WeakPolarHBondContact O-CA 3.28Å; I307-K331 PolarHBondContact O-N 2.53Å; K331-V333 PolarHBondContact O-N 3.49Å
332L88.4Confident85.5Confident18 Ų1858 Ų589%0.09432%0.32CS..  trans-66.8126.6174.1-74.2168.5000109I307 W310 V313 V342 L346I307-L332 HydrophobicContact CG2-CD1 4.39Å; I307-L332 HydrophobicContact CG2-CD2 4.22Å; I307-L332 HydrophobicContact CG2-CG 4.19Å; I307-L332 PolarHBondContact O-N 3.07Å; W310-L332 HydrophobicContact CD2-CD2 4.11Å; W310-L332 HydrophobicContact CE3-CD2 4.36Å; W310-L332 HydrophobicContact CG-CD2 4.46Å; W310-L332 HydrophobicContact CZ2-CD2 4.49Å; V313-L332 HydrophobicContact CG2-CD1 4.15Å; L332-V342 HydrophobicContact CB-CG1 3.85Å; L332-V342 HydrophobicContact CD1-CG1 4.46Å; L332-L346 HydrophobicContact CD1-CD2 4.28Å
333V81.6Confident85.4Confident97 Ų9760.3 Ų60.359%0.58833%0.332SS*.  trans-119.5133.3179.6-174.30000108.7W310 K331W310-V333 PolarHBondContact NE1-O 2.79Å; K331-V333 PolarHBondContact O-N 3.49Å
334S76Confident85.1Confident6 Ų660.9 Ų60.94%0.04233%0.332CS..  trans-83.8160.4168.854.90000110.4D336 G337 N338S334-D336 VanDerWaalsContact CB-OD1 3.23Å; S334-D336 WeakPolarHBondContact CB-OD1 3.42Å; S334-D336 PolarHBondContact O-N 2.89Å; S334-D336 VanDerWaalsContact O-N 3.07Å; S334-D336 PolarHBondContact OG-OD1 3.35Å; S334-G337 PolarHBondContact O-N 2.9Å; S334-G337 PolarHBondContact OG-N 3.47Å; S334-N338 PolarHBondContact OG-N 3.08Å; S334-N338 VanDerWaalsContact OG-N 3.14Å; S334-N338 PolarHBondContact OG-O 3.42Å; S334-N338 VanDerWaalsContact OG-O 3.07Å
335S71.6Confident84.9Confident109 Ų10958.6 Ų58.676%0.76232%0.322SS*.THydrogen-bonded Turntrans-56.8-25.4179.451.30000114.2
336D67.6Low84.7Confident93 Ų9358.8 Ų58.850%0.49732%0.323SS..THydrogen-bonded Turntrans-98.8-1.9177.966.3-7.9000114.1S334 N338 T341S334-D336 VanDerWaalsContact CB-OD1 3.23Å; S334-D336 WeakPolarHBondContact CB-OD1 3.42Å; S334-D336 PolarHBondContact O-N 2.89Å; S334-D336 VanDerWaalsContact O-N 3.07Å; S334-D336 PolarHBondContact OG-OD1 3.35Å; D336-N338 PolarHBondContact O-N 3.42Å; D336-N338 PolarHBondContact OD1-N 2.9Å; D336-N338 VanDerWaalsContact OD1-N 3.07Å; D336-T341 WeakPolarHBondContact OD1-CB 3.47Å; D336-T341 PolarHBondContact OD1-OG1 2.96Å; D336-T341 PolarHBondContact OD2-OG1 2.91Å
337G66.3Low84.6Confident53 Ų5358.6 Ų58.655%0.54632%0.322SS..  trans69.38.5-177.600000115.3S334S334-G337 PolarHBondContact O-N 2.9Å; S334-G337 PolarHBondContact OG-N 3.47Å
338N73.7Confident84.6Confident66 Ų6658 Ų5835%0.35332%0.318SS..  trans-88.8122.8-178.2-179-4.8000112S334 D336 K340 T341 V342S334-N338 PolarHBondContact OG-N 3.08Å; S334-N338 VanDerWaalsContact OG-N 3.14Å; S334-N338 PolarHBondContact OG-O 3.42Å; S334-N338 VanDerWaalsContact OG-O 3.07Å; D336-N338 PolarHBondContact O-N 3.42Å; D336-N338 PolarHBondContact OD1-N 2.9Å; D336-N338 VanDerWaalsContact OD1-N 3.07Å; N338-K340 PolarHBondContact O-N 3Å; N338-K340 VanDerWaalsContact O-N 3.13Å; N338-K340 WeakPolarHBondContact OD1-CB 3.27Å; N338-K340 PolarHBondContact OD1-N 3.26Å; N338-T341 WeakPolarHBondContact CB-OG1 3.3Å; N338-T341 WeakPolarHBondContact O-CB 3.23Å; N338-T341 PolarHBondContact O-N 3.31Å; N338-V342 PolarHBondContact O-N 2.85Å
339P70.3Confident84.5Confident99 Ų9953.2 Ų53.264%0.64330%0.3SS*.Hα-helixtrans-57.9-28.7177.5-25.634.4000114.6T341 V342 N343P339-T341 VanDerWaalsContact C-N 3.33Å; P339-V342 WeakPolarHBondContact O-CB 3.33Å; P339-V342 PolarHBondContact O-N 3.29Å; P339-N343 PolarHBondContact O-N 2.56Å
340K77.1Confident84.6Confident155 Ų15548.3 Ų48.367%0.67427%0.274SS*.Hα-helixtrans-66.5-37.6175.8-68.7-173.7175.5-176.40111.7N338 V342 N343 Q344N338-K340 PolarHBondContact O-N 3Å; N338-K340 VanDerWaalsContact O-N 3.13Å; N338-K340 WeakPolarHBondContact OD1-CB 3.27Å; N338-K340 PolarHBondContact OD1-N 3.26Å; K340-V342 VanDerWaalsContact C-N 3.27Å; K340-V342 PolarHBondContact O-N 3.02Å; K340-N343 PolarHBondContact O-N 3.19Å; K340-Q344 WeakPolarHBondContact O-CG 3.43Å; K340-Q344 PolarHBondContact O-N 3.42Å
341T84.3Confident84.5Confident7 Ų747.8 Ų47.84%0.04328%0.275CS..Hα-helixtrans-65.7-33.2177.3-49.50000110.9D336 N338 P339 Q344 M345 M376D336-T341 WeakPolarHBondContact OD1-CB 3.47Å; D336-T341 PolarHBondContact OD1-OG1 2.96Å; D336-T341 PolarHBondContact OD2-OG1 2.91Å; N338-T341 WeakPolarHBondContact CB-OG1 3.3Å; N338-T341 WeakPolarHBondContact O-CB 3.23Å; N338-T341 PolarHBondContact O-N 3.31Å; P339-T341 VanDerWaalsContact C-N 3.33Å; T341-Q344 PolarHBondContact O-N 3.24Å; T341-M345 WeakPolarHBondContact O-CB 3.28Å; T341-M345 WeakPolarHBondContact O-CG 3.4Å; T341-M345 PolarHBondContact O-N 3.2Å; T341-M376 HydrophobicContact CG2-CE 3.72Å
342V88.6Confident84.5Confident17 Ų1748.9 Ų48.910%0.10328%0.282CS..Hα-helixtrans-61.9-47.4171.9177.60000111.5W310 L332 N338 P339 K340 Q344 M345 L346W310-V342 HydrophobicContact CH2-CG1 3.94Å; W310-V342 HydrophobicContact CZ2-CG1 4.27Å; L332-V342 HydrophobicContact CB-CG1 3.85Å; L332-V342 HydrophobicContact CD1-CG1 4.46Å; N338-V342 PolarHBondContact O-N 2.85Å; P339-V342 WeakPolarHBondContact O-CB 3.33Å; P339-V342 PolarHBondContact O-N 3.29Å; K340-V342 VanDerWaalsContact C-N 3.27Å; K340-V342 PolarHBondContact O-N 3.02Å; V342-Q344 PolarHBondContact O-N 3.45Å; V342-M345 PolarHBondContact O-N 3.04Å; V342-L346 HydrophobicContact CG1-CD1 4.28Å; V342-L346 WeakPolarHBondContact O-CG 3.32Å; V342-L346 PolarHBondContact O-N 2.85Å
343N91.8Very high84.8Confident58 Ų5848.1 Ų48.131%0.3128%0.278SS..Hα-helixtrans-62.5-43.2177.3-73.9-11.2000111.8P339 K340 M345 L346 I347 L356 N357P339-N343 PolarHBondContact O-N 2.56Å; K340-N343 PolarHBondContact O-N 3.19Å; N343-M345 VanDerWaalsContact C-N 3.32Å; N343-M345 PolarHBondContact O-N 3.42Å; N343-L346 PolarHBondContact O-N 2.83Å; N343-I347 VanDerWaalsContact O-CG1 3.25Å; N343-I347 WeakPolarHBondContact O-CG1 3.37Å; N343-I347 PolarHBondContact O-N 2.9Å; N343-L356 HydrophobicContact CB-CD2 3.88Å; N343-N357 PolarHBondContact OD1-ND2 2.89Å
344Q91.9Very high85.6Confident62 Ų6248 Ų4829%0.2927%0.274SS..Hα-helixtrans-58.4-44.8174.8-69.9176.8-54.200111.3K340 T341 V342 L346 I347 A348 A369 D372K340-Q344 WeakPolarHBondContact O-CG 3.43Å; K340-Q344 PolarHBondContact O-N 3.42Å; T341-Q344 PolarHBondContact O-N 3.24Å; V342-Q344 PolarHBondContact O-N 3.45Å; Q344-L346 PolarHBondContact O-N 2.88Å; Q344-I347 PolarHBondContact O-N 3.32Å; Q344-A348 WeakPolarHBondContact O-CB 3.3Å; Q344-A348 PolarHBondContact O-N 2.88Å; Q344-A369 HydrophobicContact CB-CB 4.01Å; Q344-A369 HydrophobicContact CG-CB 4.35Å; Q344-A369 WeakPolarHBondContact O-CB 3.33Å; Q344-D372 PolarHBondContact NE2-OD2 3.2Å; Q344-D372 VanDerWaalsContact NE2-OD2 3.09Å
345M92.1Very high86.6Confident7 Ų752 Ų523%0.03429%0.288CS..Hα-helixtrans-62.1-40.6176-78-170.266.300112.9W310 T341 V342 N343 A348 K349 M376 F377W310-M345 HydrophobicContact CD2-CE 3.67Å; W310-M345 HydrophobicContact CE3-CE 4.06Å; W310-M345 HydrophobicContact CG-CE 4.23Å; W310-M345 HydrophobicContact CH2-CB 3.27Å; W310-M345 HydrophobicContact CH2-CE 4.02Å; W310-M345 HydrophobicContact CH2-CG 4.21Å; W310-M345 HydrophobicContact CH2-SD 4.01Å; W310-M345 HydrophobicContact CZ2-CB 3.82Å; W310-M345 HydrophobicContact CZ2-CE 3.6Å; W310-M345 HydrophobicContact CZ2-CG 4.29Å; W310-M345 HydrophobicContact CZ2-SD 3.5Å; W310-M345 WeakPolarHBondContact CZ2-SD 3.34Å; W310-M345 HydrophobicContact CZ3-CB 3.7Å; W310-M345 HydrophobicContact CZ3-CE 4.22Å; T341-M345 WeakPolarHBondContact O-CB 3.28Å; T341-M345 WeakPolarHBondContact O-CG 3.4Å; T341-M345 PolarHBondContact O-N 3.2Å; V342-M345 PolarHBondContact O-N 3.04Å; N343-M345 VanDerWaalsContact C-N 3.32Å; N343-M345 PolarHBondContact O-N 3.42Å; M345-A348 PolarHBondContact O-N 3.24Å; M345-K349 WeakPolarHBondContact O-CB 3.35Å; M345-K349 WeakPolarHBondContact O-CG 3.17Å; M345-K349 PolarHBondContact O-N 2.97Å; M345-M376 HydrophobicContact SD-SD 4.17Å; M345-F377 HydrophobicContact CE-CE2 3.99Å; M345-F377 HydrophobicContact CE-CZ 3.75Å; M345-F377 HydrophobicContact SD-CZ 4.47Å
346L94.1Very high87.8Confident3 Ų347.3 Ų47.32%0.01625%0.254CS..Hα-helixtrans-61.1-45.7174.4-72.3167.8000111.3W310 V313 L332 V342 N343 Q344 A348 K349 L350 L356W310-L346 HydrophobicContact CH2-CG 4.28Å; W310-L346 HydrophobicContact CZ3-CD2 3.94Å; W310-L346 HydrophobicContact CZ3-CG 4.05Å; V313-L346 HydrophobicContact CB-CD2 4.43Å; V313-L346 HydrophobicContact CG1-CD2 3.82Å; V313-L346 HydrophobicContact CG2-CD2 3.67Å; L332-L346 HydrophobicContact CD1-CD2 4.28Å; V342-L346 HydrophobicContact CG1-CD1 4.28Å; V342-L346 WeakPolarHBondContact O-CG 3.32Å; V342-L346 PolarHBondContact O-N 2.85Å; N343-L346 PolarHBondContact O-N 2.83Å; Q344-L346 PolarHBondContact O-N 2.88Å; L346-A348 PolarHBondContact O-N 3.34Å; L346-K349 PolarHBondContact O-N 3.46Å; L346-L350 WeakPolarHBondContact O-CB 3.49Å; L346-L350 PolarHBondContact O-N 3.34Å; L346-L356 HydrophobicContact CB-CD1 4.5Å; L346-L356 HydrophobicContact CB-CD2 4.08Å; L346-L356 HydrophobicContact CD1-CD1 4.09Å; L346-L356 HydrophobicContact CD1-CD2 4.27Å
347I95.2Very high89.1Confident0 Ų043.3 Ų43.30%023%0.233CC..Hα-helixtrans-60.9-44.8177.6-67.9167.7000110.9N343 Q344 L350 L356 I361 E365 R366 A369N343-I347 VanDerWaalsContact O-CG1 3.25Å; N343-I347 WeakPolarHBondContact O-CG1 3.37Å; N343-I347 PolarHBondContact O-N 2.9Å; Q344-I347 PolarHBondContact O-N 3.32Å; I347-L350 CarbonylContact O-C 3.57Å; I347-L356 HydrophobicContact CD1-CD2 4.29Å; I347-L356 HydrophobicContact CG1-CD2 3.94Å; I347-I361 HydrophobicContact CD1-CG1 4.38Å; I347-I361 HydrophobicContact CD1-CG2 4.22Å; I347-I361 HydrophobicContact CG1-CD1 4.05Å; I347-I361 HydrophobicContact CG1-CG1 4.33Å; I347-I361 HydrophobicContact CG1-CG2 4.38Å; I347-I361 HydrophobicContact CG2-CG2 3.97Å; I347-E365 HydrophobicContact CD1-CG 3.93Å; I347-E365 WeakPolarHBondContact CD1-OE1 3.23Å; I347-R366 HydrophobicContact CG2-CB 4.18Å; I347-R366 HydrophobicContact CG2-CG 4.24Å; I347-R366 PolarHBondContact O-NH1 3.18Å; I347-R366 VanDerWaalsContact O-NH1 3.12Å; I347-A369 HydrophobicContact CB-CB 4.04Å; I347-A369 HydrophobicContact CG2-CB 3.8Å
348A94.1Very high90.2Very high0 Ų045.8 Ų45.80%023%0.234CC..Hα-helixtrans-70.4-36.118000000112.9Q344 M345 L346 A369 Y373 R400Q344-A348 WeakPolarHBondContact O-CB 3.3Å; Q344-A348 PolarHBondContact O-N 2.88Å; M345-A348 PolarHBondContact O-N 3.24Å; L346-A348 PolarHBondContact O-N 3.34Å; A348-A369 HydrophobicContact CB-CB 4.48Å; A348-Y373 HydrophobicContact CB-CD1 4.18Å; A348-Y373 HydrophobicContact CB-CD2 4.17Å; A348-Y373 HydrophobicContact CB-CG 3.72Å; A348-R400 PolarHBondContact O-NH1 2.86Å
349K92.3Very high91.2Very high7 Ų746 Ų463%0.0324%0.241CC..Hα-helixtrans-78-27.7177.6-74.2-175.5174.4-64.70113.2W310 V313 M345 L346 Y373 Q397 R400W310-K349 HydrophobicContact CE3-CD 3.79Å; W310-K349 HydrophobicContact CZ3-CD 4.3Å; V313-K349 HydrophobicContact CG1-CB 4.06Å; V313-K349 HydrophobicContact CG1-CD 4.29Å; M345-K349 WeakPolarHBondContact O-CB 3.35Å; M345-K349 WeakPolarHBondContact O-CG 3.17Å; M345-K349 PolarHBondContact O-N 2.97Å; L346-K349 PolarHBondContact O-N 3.46Å; K349-Y373 HydrophobicContact CG-CE2 3.99Å; K349-Y373 PolarHBondContact NZ-OH 3.43Å; K349-Q397 PolarHBondContact NZ-O 3.1Å; K349-R400 WeakPolarHBondContact O-CD 3.12Å
350L93.8Very high92.5Very high9 Ų948 Ų485%0.04724%0.241CC..  trans-110.891.5-178.8-58.8175.5000111.3V313 L316 A317 L325 L346 I347 H352 L353 R366V313-L350 HydrophobicContact CG1-CD1 4.22Å; V313-L350 HydrophobicContact CG1-CD2 4.24Å; V313-L350 HydrophobicContact CG1-CG 4.08Å; L316-L350 HydrophobicContact CB-CD2 4.09Å; A317-L350 HydrophobicContact CB-CD2 4.01Å; L325-L350 HydrophobicContact CD2-CD1 3.47Å; L325-L350 VanDerWaalsContact CD2-CD1 3.47Å; L346-L350 WeakPolarHBondContact O-CB 3.49Å; L346-L350 PolarHBondContact O-N 3.34Å; I347-L350 CarbonylContact O-C 3.57Å; L350-H352 PolarHBondContact O-N 3.14Å; L350-L353 HydrophobicContact CB-CB 4.15Å; L350-L353 HydrophobicContact CD1-CD2 4.44Å; L350-L353 WeakPolarHBondContact O-CB 3.33Å; L350-L353 PolarHBondContact O-N 2.87Å; L350-R366 PolarHBondContact O-NH1 3.33Å; L350-R366 PolarHBondContact O-NH2 3.12Å
351G91.6Very high93.4Very high18 Ų1841.5 Ų41.519%0.18621%0.214CC..THydrogen-bonded Turntrans-67.3-28-169.700000117.1R366G351-R366 PolarHBondContact O-NH1 3.16Å
352H91.1Very high94Very high142 Ų14243.7 Ų43.766%0.65723%0.229SC*.THydrogen-bonded Turntrans-95.9-1-175.7-57.8-66.2000113L350 L354L350-H352 PolarHBondContact O-N 3.14Å; H352-L354 PolarHBondContact O-N 3.24Å
353L96Very high94.3Very high2 Ų249.6 Ų49.61%0.0125%0.254CS..  trans-68.4127.7-176.1-16072.2000110.8L325 L350 Y355 L356 I361 R366L325-L353 HydrophobicContact CB-CD1 3.62Å; L325-L353 HydrophobicContact CB-CD2 4.1Å; L350-L353 HydrophobicContact CB-CB 4.15Å; L350-L353 HydrophobicContact CD1-CD2 4.44Å; L350-L353 WeakPolarHBondContact O-CB 3.33Å; L350-L353 PolarHBondContact O-N 2.87Å; L353-Y355 WeakPolarHBondContact CG-O 3.17Å; L353-L356 HydrophobicContact CD2-CB 3.94Å; L353-L356 HydrophobicContact CD2-CD1 4.13Å; L353-I361 HydrophobicContact CB-CD1 4.03Å; L353-I361 HydrophobicContact CD2-CD1 3.82Å; L353-I361 HydrophobicContact CG-CD1 3.86Å; L353-R366 VanDerWaalsContact O-CZ 3.31Å; L353-R366 PolarHBondContact O-NH2 3.5Å
354L97.1Very high94.5Very high96 Ų9653.2 Ų53.250%0.50327%0.269SS..SBendtrans-101.6-29.6175.2-59.2-179.3000111.4V323 H352 I361V323-L354 HydrophobicContact CB-CB 4.44Å; V323-L354 HydrophobicContact CB-CD1 4.16Å; V323-L354 HydrophobicContact CB-CG 4.16Å; V323-L354 HydrophobicContact CG1-CD1 4.17Å; V323-L354 HydrophobicContact CG1-CG 4.31Å; V323-L354 PolarHBondContact O-N 2.67Å; H352-L354 PolarHBondContact O-N 3.24Å; L354-I361 PolarHBondContact O-N 2.97Å
355Y97.9Very high94.6Very high90 Ų9054.3 Ų54.335%0.35327%0.274SS..EExtended strand (participates in β ladder)trans-131.9128.3-179.2-64.1-95.5000111.1V323 K324 L325 L353 S359 E360V323-Y355 PolarHBondContact O-N 3.02Å; K324-Y355 WeakPolarHBondContact CA-O 3.28Å; K324-Y355 HydrophobicContact CD-CG 4.4Å; L325-Y355 PolarHBondContact N-O 3.2Å; L353-Y355 WeakPolarHBondContact CG-O 3.17Å; Y355-S359 CarbonylContact C-O 3.47Å; Y355-S359 VanDerWaalsContact CA-O 3.22Å; Y355-S359 WeakPolarHBondContact CA-O 3.48Å; Y355-E360 HydrophobicContact CD1-CB 4Å; Y355-E360 HydrophobicContact CE1-CB 3.7Å; Y355-E360 HydrophobicContact CE1-CG 4.06Å
356L96.9Very high94.8Very high9 Ų955.7 Ų55.75%0.04728%0.279CS..EExtended strand (participates in β ladder)trans-118.6127.2170.9178.162.5000109.2L325 N343 L346 I347 L353 N358 S359 I361L325-L356 HydrophobicContact CB-CD1 4.45Å; L325-L356 HydrophobicContact CD2-CD1 4.4Å; L325-L356 HydrophobicContact CG-CD1 4.44Å; L325-L356 CarbonylContact O-C 3.58Å; L325-L356 WeakPolarHBondContact O-CA 3.33Å; N343-L356 HydrophobicContact CB-CD2 3.88Å; L346-L356 HydrophobicContact CB-CD1 4.5Å; L346-L356 HydrophobicContact CB-CD2 4.08Å; L346-L356 HydrophobicContact CD1-CD1 4.09Å; L346-L356 HydrophobicContact CD1-CD2 4.27Å; I347-L356 HydrophobicContact CD1-CD2 4.29Å; I347-L356 HydrophobicContact CG1-CD2 3.94Å; L353-L356 HydrophobicContact CD2-CB 3.94Å; L353-L356 HydrophobicContact CD2-CD1 4.13Å; L356-N358 PolarHBondContact O-N 3.02Å; L356-S359 PolarHBondContact N-O 2.93Å; L356-S359 WeakPolarHBondContact O-CB 3.46Å; L356-S359 PolarHBondContact O-N 3.11Å; L356-I361 HydrophobicContact CB-CD1 3.97Å; L356-I361 HydrophobicContact CB-CG1 4.22Å
357N94.3Very high94.7Very high10 Ų1059.9 Ų59.95%0.05330%0.297CS..THydrogen-bonded Turntrans5538175.3-66.2-29.3000112.6L325 S326 C327 R328 N343 S359L325-N357 PolarHBondContact O-N 3.25Å; S326-N357 WeakPolarHBondContact CA-OD1 3.43Å; C327-N357 PolarHBondContact N-OD1 2.85Å; R328-N357 HydrophobicContact CG-CB 4.04Å; R328-N357 WeakPolarHBondContact CG-OD1 3.32Å; R328-N357 PolarHBondContact N-OD1 3.03Å; R328-N357 PolarHBondContact NH2-O 3.04Å; N343-N357 PolarHBondContact OD1-ND2 2.89Å; N357-S359 PolarHBondContact O-N 3.47Å
358N90.7Very high94.6Very high104 Ų10461.1 Ų61.156%0.55631%0.31SS*.THydrogen-bonded Turntrans66.39.4-173.5-60.3-41.3000116.4K324 L356K324-N358 WeakPolarHBondContact CE-OD1 3.47Å; K324-N358 PolarHBondContact NZ-OD1 2.93Å; L356-N358 PolarHBondContact O-N 3.02Å
359S94.3Very high94.6Very high71 Ų7161.2 Ų61.250%0.49731%0.31SS..EExtended strand (participates in β ladder)trans-100.6136.2169.3-61.60000110.3Y355 L356 N357Y355-S359 CarbonylContact C-O 3.47Å; Y355-S359 VanDerWaalsContact CA-O 3.22Å; Y355-S359 WeakPolarHBondContact CA-O 3.48Å; L356-S359 PolarHBondContact N-O 2.93Å; L356-S359 WeakPolarHBondContact O-CB 3.46Å; L356-S359 PolarHBondContact O-N 3.11Å; N357-S359 PolarHBondContact O-N 3.47Å
360E97.1Very high94.7Very high140 Ų14061 Ų6165%0.65431%0.309SS*.EExtended strand (participates in β ladder)trans-68.7138.3170-172.4175.1-168.400110Y355Y355-E360 HydrophobicContact CD1-CB 4Å; Y355-E360 HydrophobicContact CE1-CB 3.7Å; Y355-E360 HydrophobicContact CE1-CG 4.06Å
361I97.1Very high94.5Very high19 Ų1963.2 Ų63.210%0.09732%0.321CS..  trans-94.1114.2-179.8-58.6162.1000108.1I347 L353 L354 L356 R366I347-I361 HydrophobicContact CD1-CG1 4.38Å; I347-I361 HydrophobicContact CD1-CG2 4.22Å; I347-I361 HydrophobicContact CG1-CD1 4.05Å; I347-I361 HydrophobicContact CG1-CG1 4.33Å; I347-I361 HydrophobicContact CG1-CG2 4.38Å; I347-I361 HydrophobicContact CG2-CG2 3.97Å; L353-I361 HydrophobicContact CB-CD1 4.03Å; L353-I361 HydrophobicContact CD2-CD1 3.82Å; L353-I361 HydrophobicContact CG-CD1 3.86Å; L354-I361 PolarHBondContact O-N 2.97Å; L356-I361 HydrophobicContact CB-CD1 3.97Å; L356-I361 HydrophobicContact CB-CG1 4.22Å; I361-R366 HydrophobicContact CG2-CB 4.04Å
362S96.6Very high94.4Very high53 Ų5365.6 Ų65.637%0.37133%0.329SS..  trans-73.3163.3177.3820000112.1E364 E365 R366S362-E364 VanDerWaalsContact C-N 3.31Å; S362-E364 PolarHBondContact O-N 2.65Å; S362-E364 PolarHBondContact OG-N 2.89Å; S362-E364 PolarHBondContact OG-OE2 3.4Å; S362-E365 PolarHBondContact O-N 3.24Å; S362-E365 PolarHBondContact OG-N 2.86Å; S362-E365 VanDerWaalsContact OG-N 3.11Å; S362-R366 WeakPolarHBondContact O-CB 3.12Å; S362-R366 PolarHBondContact O-N 3.02Å
363F94.8Very high94.5Very high141 Ų14159 Ų5962%0.61830%0.299SS*.Hα-helixtrans-59.3-43.2174.2173.6-98.9000111.7R366 K367F363-R366 PolarHBondContact O-N 3.49Å; F363-K367 HydrophobicContact CE1-CD 4.14Å; F363-K367 HydrophobicContact CZ-CD 4.31Å; F363-K367 VanDerWaalsContact O-CB 3.29Å; F363-K367 WeakPolarHBondContact O-CB 3.38Å; F363-K367 PolarHBondContact O-N 3.37Å
364E94.8Very high94.2Very high134 Ų13459.2 Ų59.263%0.62630%0.3SS*.Hα-helixtrans-65.5-42.2179.9-65.171.3-156.700111.6S362 K367 G368S362-E364 VanDerWaalsContact C-N 3.31Å; S362-E364 PolarHBondContact O-N 2.65Å; S362-E364 PolarHBondContact OG-N 2.89Å; S362-E364 PolarHBondContact OG-OE2 3.4Å; E364-K367 PolarHBondContact O-N 3.28Å; E364-G368 PolarHBondContact O-N 2.87Å
365E94.4Very high93.8Very high85 Ų8558.6 Ų58.640%0.39729%0.293SS..Hα-helixtrans-63.4-45.9176.9-173.6179.4-170.700110.8I347 S362 G368 A369I347-E365 HydrophobicContact CD1-CG 3.93Å; I347-E365 WeakPolarHBondContact CD1-OE1 3.23Å; S362-E365 PolarHBondContact O-N 3.24Å; S362-E365 PolarHBondContact OG-N 2.86Å; S362-E365 VanDerWaalsContact OG-N 3.11Å; E365-G368 PolarHBondContact O-N 3.45Å; E365-A369 VanDerWaalsContact O-CB 3.27Å; E365-A369 WeakPolarHBondContact O-CB 3.43Å; E365-A369 PolarHBondContact O-N 3.34Å
366R96.1Very high93.3Very high36 Ų3657.3 Ų57.314%0.13629%0.291CS..Hα-helixtrans-61.9-47.4176.3-178.2161.3-68.5-82.6-11.9112.1I347 L350 G351 L353 I361 S362 F363 A369 E370I347-R366 HydrophobicContact CG2-CB 4.18Å; I347-R366 HydrophobicContact CG2-CG 4.24Å; I347-R366 PolarHBondContact O-NH1 3.18Å; I347-R366 VanDerWaalsContact O-NH1 3.12Å; L350-R366 PolarHBondContact O-NH1 3.33Å; L350-R366 PolarHBondContact O-NH2 3.12Å; G351-R366 PolarHBondContact O-NH1 3.16Å; L353-R366 VanDerWaalsContact O-CZ 3.31Å; L353-R366 PolarHBondContact O-NH2 3.5Å; I361-R366 HydrophobicContact CG2-CB 4.04Å; S362-R366 WeakPolarHBondContact O-CB 3.12Å; S362-R366 PolarHBondContact O-N 3.02Å; F363-R366 PolarHBondContact O-N 3.49Å; R366-A369 PolarHBondContact O-N 3.06Å; R366-E370 HydrophobicContact CG-CG 4.44Å; R366-E370 WeakPolarHBondContact O-CB 3.49Å; R366-E370 WeakPolarHBondContact O-CG 3.39Å; R366-E370 PolarHBondContact O-N 3.2Å
367K93.1Very high92.9Very high92 Ų9258.2 Ų58.240%0.430%0.295SS..Hα-helixtrans-60.4-46.3178.2-177.6-179.8177.6-176.70111.1F363 E364 E370 L371 Y408F363-K367 HydrophobicContact CE1-CD 4.14Å; F363-K367 HydrophobicContact CZ-CD 4.31Å; F363-K367 VanDerWaalsContact O-CB 3.29Å; F363-K367 WeakPolarHBondContact O-CB 3.38Å; F363-K367 PolarHBondContact O-N 3.37Å; E364-K367 PolarHBondContact O-N 3.28Å; K367-E370 PolarHBondContact O-N 3.4Å; K367-L371 HydrophobicContact CG-CD1 4.09Å; K367-L371 WeakPolarHBondContact O-CG 3.47Å; K367-L371 PolarHBondContact O-N 3.44Å; K367-Y408 HydrophobicContact CG-CE1 4.12Å
368G93Very high92.7Very high26 Ų2657.7 Ų57.727%0.26829%0.292SS..Hα-helixtrans-60.1-50.117700000112E364 E365 E370 L371 D372E364-G368 PolarHBondContact O-N 2.87Å; E365-G368 PolarHBondContact O-N 3.45Å; G368-E370 PolarHBondContact O-N 2.76Å; G368-L371 PolarHBondContact O-N 3.2Å; G368-D372 WeakPolarHBondContact O-CB 3.31Å; G368-D372 VanDerWaalsContact O-CG 3.28Å; G368-D372 PolarHBondContact O-N 3.32Å
369A94.2Very high92.5Very high1 Ų156 Ų561%0.00828%0.281CS..Hα-helixtrans-59.4-42.917800000113.1Q344 I347 A348 E365 R366 Y373Q344-A369 HydrophobicContact CB-CB 4.01Å; Q344-A369 HydrophobicContact CG-CB 4.35Å; Q344-A369 WeakPolarHBondContact O-CB 3.33Å; I347-A369 HydrophobicContact CB-CB 4.04Å; I347-A369 HydrophobicContact CG2-CB 3.8Å; A348-A369 HydrophobicContact CB-CB 4.48Å; E365-A369 VanDerWaalsContact O-CB 3.27Å; E365-A369 WeakPolarHBondContact O-CB 3.43Å; E365-A369 PolarHBondContact O-N 3.34Å; R366-A369 PolarHBondContact O-N 3.06Å; A369-Y373 WeakPolarHBondContact O-CB 3.44Å; A369-Y373 PolarHBondContact O-N 2.94Å
370E94.6Very high92.3Very high2 Ų256.9 Ų56.91%0.00928%0.277CS..Hα-helixtrans-64.9-41.6177.6-74-179.1158.200112R366 K367 G368 Y373 I374 R400 L404 K407 Y408R366-E370 HydrophobicContact CG-CG 4.44Å; R366-E370 WeakPolarHBondContact O-CB 3.49Å; R366-E370 WeakPolarHBondContact O-CG 3.39Å; R366-E370 PolarHBondContact O-N 3.2Å; K367-E370 PolarHBondContact O-N 3.4Å; G368-E370 PolarHBondContact O-N 2.76Å; E370-Y373 PolarHBondContact O-N 3.04Å; E370-I374 WeakPolarHBondContact O-CG1 3.43Å; E370-I374 PolarHBondContact O-N 2.73Å; E370-I374 VanDerWaalsContact O-N 3.09Å; E370-R400 IonicContact OE1-CZ 2.81Å; E370-R400 IonicContact OE1-NH1 3.19Å; E370-R400 PolarHBondContact OE1-NH1 2.98Å; E370-R400 VanDerWaalsContact OE1-NH1 3.16Å; E370-R400 IonicContact OE1-NH2 2.78Å; E370-R400 PolarHBondContact OE1-NH2 2.84Å; E370-L404 HydrophobicContact CB-CD1 4.4Å; E370-L404 HydrophobicContact CB-CD2 3.98Å; E370-L404 VanDerWaalsContact CD-CD2 3.44Å; E370-L404 HydrophobicContact CG-CD1 4.34Å; E370-L404 HydrophobicContact CG-CD2 3.73Å; E370-K407 IonicContact OE2-NZ 2.88Å; E370-K407 PolarHBondContact OE2-NZ 3.13Å; E370-Y408 HydrophobicContact CB-CE2 3.72Å; E370-Y408 HydrophobicContact CG-CE2 4.48Å; E370-Y408 WeakPolarHBondContact OE2-CE2 2.93Å; E370-Y408 PolarHBondContact OE2-OH 3.48Å
371L89.9Confident92.1Very high57 Ų5750.5 Ų50.530%0.29825%0.247SC..Hα-helixtrans-68-45176.6-71.9170.4000112.2K367 G368 Y373 I374 K375 Y408K367-L371 HydrophobicContact CG-CD1 4.09Å; K367-L371 WeakPolarHBondContact O-CG 3.47Å; K367-L371 PolarHBondContact O-N 3.44Å; G368-L371 PolarHBondContact O-N 3.2Å; L371-Y373 PolarHBondContact O-N 2.93Å; L371-I374 PolarHBondContact O-N 3.4Å; L371-K375 WeakPolarHBondContact O-CG 3.16Å; L371-K375 PolarHBondContact O-N 3.39Å; L371-Y408 HydrophobicContact CD2-CD1 3.97Å; L371-Y408 HydrophobicContact CD2-CD2 4.33Å; L371-Y408 HydrophobicContact CD2-CG 3.8Å
372D89.5Confident91.6Very high67 Ų6753.7 Ų53.736%0.35826%0.264SS..Hα-helixtrans-60.3-38.8176.6-72-16.4000110.8Q344 G368 K375 M376Q344-D372 PolarHBondContact NE2-OD2 3.2Å; Q344-D372 VanDerWaalsContact NE2-OD2 3.09Å; G368-D372 WeakPolarHBondContact O-CB 3.31Å; G368-D372 VanDerWaalsContact O-CG 3.28Å; G368-D372 PolarHBondContact O-N 3.32Å; D372-K375 PolarHBondContact O-N 3.14Å; D372-M376 VanDerWaalsContact O-CB 3.25Å; D372-M376 WeakPolarHBondContact O-CB 3.45Å; D372-M376 PolarHBondContact O-N 2.95Å
373Y91.7Very high91.3Very high3 Ų359.3 Ų59.31%0.01228%0.282CS..Hα-helixtrans-64.6-41.7175.6179-104.8000112.9A348 K349 A369 E370 L371 M376 F377 H398 Y401 L404A348-Y373 HydrophobicContact CB-CD1 4.18Å; A348-Y373 HydrophobicContact CB-CD2 4.17Å; A348-Y373 HydrophobicContact CB-CG 3.72Å; K349-Y373 HydrophobicContact CG-CE2 3.99Å; K349-Y373 PolarHBondContact NZ-OH 3.43Å; A369-Y373 WeakPolarHBondContact O-CB 3.44Å; A369-Y373 PolarHBondContact O-N 2.94Å; E370-Y373 PolarHBondContact O-N 3.04Å; L371-Y373 PolarHBondContact O-N 2.93Å; Y373-M376 PolarHBondContact O-N 2.86Å; Y373-F377 AromaticContact CD2-CD2 3.56Å; Y373-F377 HydrophobicContact CD2-CD2 3.56Å; Y373-F377 AromaticContact CD2-CE2 3.46Å; Y373-F377 HydrophobicContact CD2-CE2 3.46Å; Y373-F377 VanDerWaalsContact CD2-CE2 3.46Å; Y373-F377 AromaticContact CE2-CD2 3.48Å; Y373-F377 HydrophobicContact CE2-CD2 3.48Å; Y373-F377 VanDerWaalsContact CE2-CD2 3.48Å; Y373-F377 AromaticContact CE2-CE2 3.38Å; Y373-F377 HydrophobicContact CE2-CE2 3.38Å; Y373-F377 HydrophobicContact CE2-CZ 4.46Å; Y373-F377 HydrophobicContact CG-CD2 4.28Å; Y373-F377 WeakPolarHBondContact O-CD2 3.45Å; Y373-F377 PolarHBondContact O-N 3.43Å; Y373-H398 AromaticContact CE2-ND1 3.83Å; Y373-H398 AromaticContact CZ-ND1 3.49Å; Y373-H398 WeakPolarHBondContact OH-CA 3.46Å; Y373-H398 WeakPolarHBondContact OH-CB 3.25Å; Y373-H398 PolarHBondContact OH-ND1 2.92Å; Y373-Y401 HydrophobicContact CD1-CD2 4.13Å; Y373-Y401 AromaticContact CE1-CD2 3.66Å; Y373-Y401 HydrophobicContact CE1-CD2 3.66Å; Y373-Y401 HydrophobicContact CE1-CE2 4.45Å; Y373-L404 HydrophobicContact CD1-CD1 3.69Å; Y373-L404 HydrophobicContact CE1-CD1 4.06Å
374I90.4Very high91Very high7 Ų753.5 Ų53.54%0.03626%0.26CS..Hα-helixtrans-59-48.9172.2-68.3167.8000110.1E370 L371 M376 F377 G378 Y401 L404 I405 Y408 P411E370-I374 WeakPolarHBondContact O-CG1 3.43Å; E370-I374 PolarHBondContact O-N 2.73Å; E370-I374 VanDerWaalsContact O-N 3.09Å; L371-I374 PolarHBondContact O-N 3.4Å; I374-M376 VanDerWaalsContact C-N 3.33Å; I374-M376 PolarHBondContact O-N 2.86Å; I374-F377 PolarHBondContact O-N 3.45Å; I374-G378 PolarHBondContact O-N 2.84Å; I374-Y401 PolarHBondContact O-OH 2.98Å; I374-L404 HydrophobicContact CD1-CB 3.96Å; I374-L404 HydrophobicContact CG1-CB 4.03Å; I374-I405 HydrophobicContact CG2-CD1 3.78Å; I374-Y408 HydrophobicContact CD1-CD2 3.9Å; I374-Y408 HydrophobicContact CD1-CG 4.35Å; I374-P411 HydrophobicContact CG2-CB 4.09Å; I374-P411 HydrophobicContact CG2-CG 3.96Å
375K88.7Confident90.5Very high84 Ų8448.8 Ų48.837%0.36525%0.247SC..Hα-helixtrans-62.4-41.9-179.1-68.2178.7-179.5-156.90112.1L371 D372 F377 E415 L416L371-K375 WeakPolarHBondContact O-CG 3.16Å; L371-K375 PolarHBondContact O-N 3.39Å; D372-K375 PolarHBondContact O-N 3.14Å; K375-F377 PolarHBondContact O-N 2.84Å; K375-E415 VanDerWaalsContact CE-OE1 3.32Å; K375-E415 WeakPolarHBondContact CE-OE1 3.38Å; K375-E415 VanDerWaalsContact CE-OE2 3.25Å; K375-E415 WeakPolarHBondContact CE-OE2 3.45Å; K375-E415 VanDerWaalsContact NZ-CD 3.34Å; K375-E415 IonicContact NZ-OE1 3.71Å; K375-E415 PolarHBondContact NZ-OE1 3.19Å; K375-E415 IonicContact NZ-OE2 2.75Å; K375-L416 WeakPolarHBondContact O-CD2 3.42Å
376M86.7Confident90.1Very high63 Ų6345 Ų4531%0.3123%0.231SC..Hα-helixtrans-62.7-39.1-176.6-171.4179.5-55.600113.3T341 M345 D372 Y373 I374T341-M376 HydrophobicContact CG2-CE 3.72Å; M345-M376 HydrophobicContact SD-SD 4.17Å; D372-M376 VanDerWaalsContact O-CB 3.25Å; D372-M376 WeakPolarHBondContact O-CB 3.45Å; D372-M376 PolarHBondContact O-N 2.95Å; Y373-M376 PolarHBondContact O-N 2.86Å; I374-M376 VanDerWaalsContact C-N 3.33Å; I374-M376 PolarHBondContact O-N 2.86Å
377F89.6Confident89.1Confident27 Ų2746.7 Ų46.712%0.11825%0.253CS..Hα-helixtrans-108.49.9-176.2-59.5-75.2000113.7M345 Y373 I374 K375 E379 E380 W381 F394 H398 Y401M345-F377 HydrophobicContact CE-CE2 3.99Å; M345-F377 HydrophobicContact CE-CZ 3.75Å; M345-F377 HydrophobicContact SD-CZ 4.47Å; Y373-F377 AromaticContact CD2-CD2 3.56Å; Y373-F377 HydrophobicContact CD2-CD2 3.56Å; Y373-F377 AromaticContact CD2-CE2 3.46Å; Y373-F377 HydrophobicContact CD2-CE2 3.46Å; Y373-F377 VanDerWaalsContact CD2-CE2 3.46Å; Y373-F377 AromaticContact CE2-CD2 3.48Å; Y373-F377 HydrophobicContact CE2-CD2 3.48Å; Y373-F377 VanDerWaalsContact CE2-CD2 3.48Å; Y373-F377 AromaticContact CE2-CE2 3.38Å; Y373-F377 HydrophobicContact CE2-CE2 3.38Å; Y373-F377 HydrophobicContact CE2-CZ 4.46Å; Y373-F377 HydrophobicContact CG-CD2 4.28Å; Y373-F377 WeakPolarHBondContact O-CD2 3.45Å; Y373-F377 PolarHBondContact O-N 3.43Å; I374-F377 PolarHBondContact O-N 3.45Å; K375-F377 PolarHBondContact O-N 2.84Å; F377-E379 PolarHBondContact O-N 2.68Å; F377-E380 PolarHBondContact O-N 2.81Å; F377-W381 WeakPolarHBondContact O-CB 3.17Å; F377-W381 PolarHBondContact O-N 3.03Å; F377-F394 HydrophobicContact CB-CE2 4.4Å; F377-F394 HydrophobicContact CB-CZ 4.45Å; F377-H398 AromaticContact CD1-CE1 3.29Å; F377-H398 WeakPolarHBondContact CD1-CE1 3.41Å; F377-H398 AromaticContact CD1-NE2 3.82Å; F377-H398 AromaticContact CD2-CE1 3.74Å; F377-H398 AromaticContact CD2-ND1 3.93Å; F377-H398 AromaticContact CE1-CE1 3.49Å; F377-H398 VanDerWaalsContact CE1-CE1 3.49Å; F377-H398 WeakPolarHBondContact CE1-CE1 3.46Å; F377-H398 AromaticContact CE2-CE1 3.93Å; F377-H398 AromaticContact CG-CE1 3.42Å; F377-H398 VanDerWaalsContact CG-CE1 3.42Å; F377-H398 WeakPolarHBondContact CG-CE1 3.48Å; F377-H398 AromaticContact CG-ND1 3.88Å; F377-H398 AromaticContact CZ-CE1 3.82Å; F377-Y401 HydrophobicContact CB-CD2 4.4Å; F377-Y401 HydrophobicContact CB-CE2 3.79Å
378G89.3Confident88.3Confident0 Ų050.1 Ų50.10%028%0.275CS..Hα-helixtrans-64.4-39.5-176.800000114.7I374 E380 W381 L382 Y401I374-G378 PolarHBondContact O-N 2.84Å; G378-E380 VanDerWaalsContact C-N 3.31Å; G378-E380 PolarHBondContact O-N 2.85Å; G378-W381 PolarHBondContact O-N 3.06Å; G378-L382 WeakPolarHBondContact O-CG 3.49Å; G378-L382 PolarHBondContact O-N 3.08Å; G378-Y401 WeakPolarHBondContact CA-OH 3.49Å; G378-Y401 PolarHBondContact N-OH 3.42Å
379E87.8Confident87.7Confident67 Ų6756.6 Ų56.631%0.31330%0.299SS..Hα-helixtrans-62.8-39.9173.9-69.1-169.6169.200111.9F377 K383 L416F377-E379 PolarHBondContact O-N 2.68Å; E379-K383 WeakPolarHBondContact O-CB 3.43Å; E379-K383 VanDerWaalsContact O-CG 3.27Å; E379-K383 WeakPolarHBondContact O-CG 3.5Å; E379-K383 PolarHBondContact O-N 3.34Å; E379-K383 IonicContact OE2-NZ 2.74Å; E379-L416 HydrophobicContact CG-CB 4.03Å
380E89.9Confident87.2Confident91 Ų9158 Ų5843%0.42531%0.308SS..Hα-helixtrans-68.3-41.1179.2-66.6-179.8-136.600110.9F377 G378 K383 A384 F394F377-E380 PolarHBondContact O-N 2.81Å; G378-E380 VanDerWaalsContact C-N 3.31Å; G378-E380 PolarHBondContact O-N 2.85Å; E380-K383 PolarHBondContact O-N 3.49Å; E380-A384 VanDerWaalsContact O-CB 3.22Å; E380-A384 WeakPolarHBondContact O-CB 3.48Å; E380-A384 PolarHBondContact O-N 3.22Å; E380-F394 HydrophobicContact CB-CD2 4.31Å; E380-F394 HydrophobicContact CB-CE2 3.96Å
381W91.1Very high86.9Confident5 Ų560.1 Ų60.12%0.01932%0.323CS..Hα-helixtrans-62.6-46174.6175.472.9000112.6F377 G378 K383 A384 G385 G386 A387 F394 Y401 I405 A410F377-W381 WeakPolarHBondContact O-CB 3.17Å; F377-W381 PolarHBondContact O-N 3.03Å; G378-W381 PolarHBondContact O-N 3.06Å; W381-K383 PolarHBondContact O-N 2.82Å; W381-A384 CarbonylContact O-C 3.44Å; W381-A384 WeakPolarHBondContact O-CB 3.33Å; W381-A384 PolarHBondContact O-N 3.2Å; W381-A384 VanDerWaalsContact O-N 3.1Å; W381-G385 PolarHBondContact O-N 3.32Å; W381-G386 WeakPolarHBondContact CZ2-O 3.05Å; W381-G386 PolarHBondContact NE1-O 3.23Å; W381-G386 PolarHBondContact O-N 2.75Å; W381-A387 HydrophobicContact CH2-CB 3.96Å; W381-A387 HydrophobicContact CZ2-CB 4.02Å; W381-F394 HydrophobicContact CB-CE1 3.96Å; W381-F394 HydrophobicContact CB-CE2 3.95Å; W381-F394 HydrophobicContact CB-CZ 3.54Å; W381-F394 AromaticContact CD1-CE1 3.55Å; W381-F394 HydrophobicContact CG-CE1 4.13Å; W381-F394 HydrophobicContact CG-CZ 4.18Å; W381-Y401 HydrophobicContact CB-CD1 4.27Å; W381-Y401 HydrophobicContact CB-CE1 3.56Å; W381-Y401 AromaticContact CD1-CD1 3.58Å; W381-Y401 AromaticContact CD1-CE1 3.53Å; W381-Y401 HydrophobicContact CD2-CD1 4.5Å; W381-Y401 AromaticContact CD2-CE1 3.77Å; W381-Y401 HydrophobicContact CD2-CE1 3.77Å; W381-Y401 HydrophobicContact CE3-CE1 4.49Å; W381-Y401 AromaticContact CG-CD1 3.86Å; W381-Y401 HydrophobicContact CG-CD1 3.86Å; W381-Y401 AromaticContact CG-CE1 3.3Å; W381-Y401 HydrophobicContact CG-CE1 3.3Å; W381-I405 HydrophobicContact CH2-CG2 4.39Å; W381-I405 HydrophobicContact CZ2-CG1 4.36Å; W381-I405 HydrophobicContact CZ2-CG2 4.21Å; W381-A410 HydrophobicContact CH2-CB 4.01Å; W381-A410 HydrophobicContact CZ3-CB 4.11Å
382L88.6Confident86.7Confident87 Ų8763 Ų6346%0.45534%0.343SS..Hα-helixtrans-60.3-45.7176.3-74.3174.8000111.3G378 A384 G385 L416G378-L382 WeakPolarHBondContact O-CG 3.49Å; G378-L382 PolarHBondContact O-N 3.08Å; L382-A384 PolarHBondContact O-N 3.05Å; L382-G385 PolarHBondContact O-N 3.1Å; L382-G385 VanDerWaalsContact O-N 3.17Å; L382-L416 HydrophobicContact CD1-CD1 3.53Å
383K89.1Confident86.6Confident170 Ų17062.7 Ų62.774%0.73935%0.35SS*.Hα-helixtrans-62.9-30.1175.3-73.2169.6-173.6163.40112.6E379 E380 W381 G385E379-K383 WeakPolarHBondContact O-CB 3.43Å; E379-K383 VanDerWaalsContact O-CG 3.27Å; E379-K383 WeakPolarHBondContact O-CG 3.5Å; E379-K383 PolarHBondContact O-N 3.34Å; E379-K383 IonicContact OE2-NZ 2.74Å; E380-K383 PolarHBondContact O-N 3.49Å; W381-K383 PolarHBondContact O-N 2.82Å; K383-G385 VanDerWaalsContact C-N 3.26Å; K383-G385 PolarHBondContact O-N 3.3Å
384A88.5Confident86.5Confident20 Ų2063.1 Ų63.117%0.16535%0.351CS..THydrogen-bonded Turntrans-79.1-1.8178.600000114E380 W381 L382 P390 S391 F394E380-A384 VanDerWaalsContact O-CB 3.22Å; E380-A384 WeakPolarHBondContact O-CB 3.48Å; E380-A384 PolarHBondContact O-N 3.22Å; W381-A384 CarbonylContact O-C 3.44Å; W381-A384 WeakPolarHBondContact O-CB 3.33Å; W381-A384 PolarHBondContact O-N 3.2Å; W381-A384 VanDerWaalsContact O-N 3.1Å; L382-A384 PolarHBondContact O-N 3.05Å; A384-P390 CarbonylContact O-C 3.46Å; A384-P390 WeakPolarHBondContact O-CA 3.24Å; A384-S391 PolarHBondContact O-N 2.86Å; A384-F394 HydrophobicContact CB-CB 3.66Å; A384-F394 HydrophobicContact CB-CD2 4.24Å; A384-F394 HydrophobicContact CB-CG 3.96Å
385G84.8Confident86.3Confident35 Ų3565.7 Ų65.736%0.36137%0.367SS..THydrogen-bonded Turntrans117.2-1.9179.800000114.7W381 L382 K383W381-G385 PolarHBondContact O-N 3.32Å; L382-G385 PolarHBondContact O-N 3.1Å; L382-G385 VanDerWaalsContact O-N 3.17Å; K383-G385 VanDerWaalsContact C-N 3.26Å; K383-G385 PolarHBondContact O-N 3.3Å
386G84.9Confident86.1Confident5 Ų566.1 Ų66.15%0.05238%0.38CS..THydrogen-bonded Turntrans58.3-138.4170.800000113.9W381 P390W381-G386 WeakPolarHBondContact CZ2-O 3.05Å; W381-G386 PolarHBondContact NE1-O 3.23Å; W381-G386 PolarHBondContact O-N 2.75Å; G386-P390 WeakPolarHBondContact O-CD 3.28Å
387A76.2Confident86.2Confident72 Ų7268.4 Ų68.460%0.59539%0.39SS*.THydrogen-bonded Turntrans-75.4-20.6-174.600000114.2W381W381-A387 HydrophobicContact CH2-CB 3.96Å; W381-A387 HydrophobicContact CZ2-CB 4.02Å
388D76Confident86.2Confident163 Ų16367.5 Ų67.587%0.87239%0.386SS*.THydrogen-bonded Turntrans-78.2-51.6-174.6-65.5-40.4000111.4
389Q80.5Confident86.1Confident163 Ų16370.5 Ų70.576%0.76241%0.406SS*.  trans-164.694.7175-16716950.700111
390P84.1Confident86.2Confident30 Ų3068.9 Ų68.920%0.19540%0.397CS..  trans-66.4145.2176.525.1-30000111.1A384 G386 F394A384-P390 CarbonylContact O-C 3.46Å; A384-P390 WeakPolarHBondContact O-CA 3.24Å; G386-P390 WeakPolarHBondContact O-CD 3.28Å; P390-F394 HydrophobicContact CB-CD1 4.38Å
391S87.9Confident86.3Confident46 Ų4664.6 Ų64.632%0.32238%0.376SS..  trans-58.9151.7-178.874.10000112.3A384 A393 F394 T395A384-S391 PolarHBondContact O-N 2.86Å; S391-A393 VanDerWaalsContact C-N 3.26Å; S391-A393 PolarHBondContact O-N 3.3Å; S391-F394 PolarHBondContact O-N 3.21Å; S391-F394 WeakPolarHBondContact OG-CB 3.3Å; S391-F394 PolarHBondContact OG-N 3.37Å; S391-T395 PolarHBondContact O-N 3Å; S391-T395 PolarHBondContact O-OG1 2.97Å
392T85.9Confident86.2Confident119 Ų11967.4 Ų67.473%0.7339%0.39SS*.Hα-helixtrans-59.5-38.8174.950.90000111.8F394 T395 C396T392-F394 PolarHBondContact O-N 3.14Å; T392-T395 PolarHBondContact O-N 3.02Å; T392-C396 WeakPolarHBondContact O-CB 3.15Å; T392-C396 PolarHBondContact O-N 3.42Å; T392-C396 PolarHBondContact O-SG 3.33Å
393A87.4Confident86.3Confident60 Ų6067.7 Ų67.750%0.49639%0.39SS..Hα-helixtrans-58.9-47176.900000112.2S391 Q397S391-A393 VanDerWaalsContact C-N 3.26Å; S391-A393 PolarHBondContact O-N 3.3Å; A393-Q397 WeakPolarHBondContact O-CG 3.34Å; A393-Q397 PolarHBondContact O-N 2.81Å
394F89.5Confident86.4Confident11 Ų1159.6 Ų59.65%0.04836%0.355CS..Hα-helixtrans-64.6-45.5176.7-176.9-90.9000111.3F377 E380 W381 A384 P390 S391 T392 C396 Q397 H398 Y401F377-F394 HydrophobicContact CB-CE2 4.4Å; F377-F394 HydrophobicContact CB-CZ 4.45Å; E380-F394 HydrophobicContact CB-CD2 4.31Å; E380-F394 HydrophobicContact CB-CE2 3.96Å; W381-F394 HydrophobicContact CB-CE1 3.96Å; W381-F394 HydrophobicContact CB-CE2 3.95Å; W381-F394 HydrophobicContact CB-CZ 3.54Å; W381-F394 AromaticContact CD1-CE1 3.55Å; W381-F394 HydrophobicContact CG-CE1 4.13Å; W381-F394 HydrophobicContact CG-CZ 4.18Å; A384-F394 HydrophobicContact CB-CB 3.66Å; A384-F394 HydrophobicContact CB-CD2 4.24Å; A384-F394 HydrophobicContact CB-CG 3.96Å; P390-F394 HydrophobicContact CB-CD1 4.38Å; S391-F394 PolarHBondContact O-N 3.21Å; S391-F394 WeakPolarHBondContact OG-CB 3.3Å; S391-F394 PolarHBondContact OG-N 3.37Å; T392-F394 PolarHBondContact O-N 3.14Å; F394-C396 VanDerWaalsContact C-N 3.32Å; F394-C396 PolarHBondContact O-N 3.33Å; F394-Q397 PolarHBondContact O-N 2.82Å; F394-Q397 VanDerWaalsContact O-N 3.11Å; F394-H398 HydrophobicContact CD1-CB 4.39Å; F394-H398 AromaticContact CD2-CD2 3.71Å; F394-H398 HydrophobicContact CE1-CB 3.89Å; F394-H398 AromaticContact CE2-CD2 3.49Å; F394-H398 VanDerWaalsContact CE2-CD2 3.49Å; F394-H398 WeakPolarHBondContact CE2-CD2 3.34Å; F394-H398 HydrophobicContact CZ-CB 3.95Å; F394-H398 AromaticContact CZ-CD2 3.8Å; F394-H398 AromaticContact CZ-CG 3.89Å; F394-H398 PolarHBondContact O-CD2 3.24Å; F394-H398 PolarHBondContact O-N 3.5Å; F394-Y401 AromaticContact CE1-CD1 3.71Å; F394-Y401 HydrophobicContact CE1-CD1 3.71Å; F394-Y401 HydrophobicContact CE1-CD2 4.28Å; F394-Y401 HydrophobicContact CE1-CE1 4.33Å; F394-Y401 AromaticContact CE1-CG 3.69Å; F394-Y401 HydrophobicContact CE1-CG 3.69Å; F394-Y401 AromaticContact CZ-CD1 3.91Å; F394-Y401 HydrophobicContact CZ-CD1 3.91Å; F394-Y401 AromaticContact CZ-CD2 3.9Å; F394-Y401 HydrophobicContact CZ-CD2 3.9Å; F394-Y401 HydrophobicContact CZ-CE1 4.17Å; F394-Y401 HydrophobicContact CZ-CE2 4.18Å; F394-Y401 AromaticContact CZ-CG 3.77Å; F394-Y401 HydrophobicContact CZ-CG 3.77Å
395T86.6Confident86.6Confident61 Ų6159.4 Ų59.437%0.37435%0.351SS..Hα-helixtrans-62.5-38-178-51.30000111.9S391 T392 H398 P399S391-T395 PolarHBondContact O-N 3Å; S391-T395 PolarHBondContact O-OG1 2.97Å; T392-T395 PolarHBondContact O-N 3.02Å; T395-H398 CarbonylContact O-C 3.49Å; T395-H398 VanDerWaalsContact O-C 3.32Å; T395-H398 PolarHBondContact O-N 3.01Å; T395-P399 VanDerWaalsContact O-CA 3.22Å; T395-P399 WeakPolarHBondContact O-CA 3.4Å; T395-P399 VanDerWaalsContact O-N 3.13Å
396C84.4Confident86.8Confident94 Ų9464.5 Ų64.564%0.63537%0.365SS*.Hα-helixtrans-66.8-35.3174.6-69.90000113.2N314 T392 F394N314-C396 PolarHBondContact ND2-O 3.16Å; T392-C396 WeakPolarHBondContact O-CB 3.15Å; T392-C396 PolarHBondContact O-N 3.42Å; T392-C396 PolarHBondContact O-SG 3.33Å; F394-C396 VanDerWaalsContact C-N 3.32Å; F394-C396 PolarHBondContact O-N 3.33Å
397Q87.4Confident87.1Confident111 Ų11169.8 Ų69.852%0.51939%0.387SS..Hα-helixtrans-79-29.2177.6-70.1-178.75.200112.5N314 K349 A393 F394 P399N314-Q397 PolarHBondContact ND2-O 3.4Å; K349-Q397 PolarHBondContact NZ-O 3.1Å; A393-Q397 WeakPolarHBondContact O-CG 3.34Å; A393-Q397 PolarHBondContact O-N 2.81Å; F394-Q397 PolarHBondContact O-N 2.82Å; F394-Q397 VanDerWaalsContact O-N 3.11Å; Q397-P399 VanDerWaalsContact C-CD 3.5Å
398H89.9Confident87.8Confident8 Ų869.4 Ų69.44%0.03737%0.37CS..  trans-130.962.3-174.5-55.6-86.3000112.1Y373 F377 F394 T395 R400 Y401Y373-H398 AromaticContact CE2-ND1 3.83Å; Y373-H398 AromaticContact CZ-ND1 3.49Å; Y373-H398 WeakPolarHBondContact OH-CA 3.46Å; Y373-H398 WeakPolarHBondContact OH-CB 3.25Å; Y373-H398 PolarHBondContact OH-ND1 2.92Å; F377-H398 AromaticContact CD1-CE1 3.29Å; F377-H398 WeakPolarHBondContact CD1-CE1 3.41Å; F377-H398 AromaticContact CD1-NE2 3.82Å; F377-H398 AromaticContact CD2-CE1 3.74Å; F377-H398 AromaticContact CD2-ND1 3.93Å; F377-H398 AromaticContact CE1-CE1 3.49Å; F377-H398 VanDerWaalsContact CE1-CE1 3.49Å; F377-H398 WeakPolarHBondContact CE1-CE1 3.46Å; F377-H398 AromaticContact CE2-CE1 3.93Å; F377-H398 AromaticContact CG-CE1 3.42Å; F377-H398 VanDerWaalsContact CG-CE1 3.42Å; F377-H398 WeakPolarHBondContact CG-CE1 3.48Å; F377-H398 AromaticContact CG-ND1 3.88Å; F377-H398 AromaticContact CZ-CE1 3.82Å; F394-H398 HydrophobicContact CD1-CB 4.39Å; F394-H398 AromaticContact CD2-CD2 3.71Å; F394-H398 HydrophobicContact CE1-CB 3.89Å; F394-H398 AromaticContact CE2-CD2 3.49Å; F394-H398 VanDerWaalsContact CE2-CD2 3.49Å; F394-H398 WeakPolarHBondContact CE2-CD2 3.34Å; F394-H398 HydrophobicContact CZ-CB 3.95Å; F394-H398 AromaticContact CZ-CD2 3.8Å; F394-H398 AromaticContact CZ-CG 3.89Å; F394-H398 PolarHBondContact O-CD2 3.24Å; F394-H398 PolarHBondContact O-N 3.5Å; T395-H398 CarbonylContact O-C 3.49Å; T395-H398 VanDerWaalsContact O-C 3.32Å; T395-H398 PolarHBondContact O-N 3.01Å; H398-R400 PolarHBondContact O-N 3.36Å; H398-R400 VanDerWaalsContact O-N 3.08Å; H398-Y401 HydrophobicContact CB-CD2 4.41Å; H398-Y401 HydrophobicContact CB-CG 4.4Å; H398-Y401 VanDerWaalsContact O-CB 3.25Å; H398-Y401 WeakPolarHBondContact O-CB 3.21Å; H398-Y401 PolarHBondContact O-N 3.41Å
399P87.5Confident88.3Confident62 Ų6263.3 Ų63.340%0.40335%0.347SS..THydrogen-bonded Turntrans-61.7-26.7-169.822.7-34.3000114.5N314 T395 Q397N314-P399 HydrophobicContact CB-CG 4.36Å; T395-P399 VanDerWaalsContact O-CA 3.22Å; T395-P399 WeakPolarHBondContact O-CA 3.4Å; T395-P399 VanDerWaalsContact O-N 3.13Å; Q397-P399 VanDerWaalsContact C-CD 3.5Å
400R89.4Confident88.5Confident33 Ų3358.3 Ų58.313%0.12533%0.333CS..THydrogen-bonded Turntrans-89.7-7.7177.6-68.4-168.871.9-137.7-0.6114.5A348 K349 E370 H398 Q402 M403 L404A348-R400 PolarHBondContact O-NH1 2.86Å; K349-R400 WeakPolarHBondContact O-CD 3.12Å; E370-R400 IonicContact OE1-CZ 2.81Å; E370-R400 IonicContact OE1-NH1 3.19Å; E370-R400 PolarHBondContact OE1-NH1 2.98Å; E370-R400 VanDerWaalsContact OE1-NH1 3.16Å; E370-R400 IonicContact OE1-NH2 2.78Å; E370-R400 PolarHBondContact OE1-NH2 2.84Å; H398-R400 PolarHBondContact O-N 3.36Å; H398-R400 VanDerWaalsContact O-N 3.08Å; R400-Q402 PolarHBondContact O-N 3.26Å; R400-M403 HydrophobicContact CB-CE 4.42Å; R400-M403 HydrophobicContact CG-CE 4.33Å; R400-M403 VanDerWaalsContact NE-CE 3.29Å; R400-M403 PolarHBondContact O-N 3.42Å; R400-L404 HydrophobicContact CB-CD1 4.5Å; R400-L404 WeakPolarHBondContact O-CG 3.16Å; R400-L404 PolarHBondContact O-N 3.46Å; R400-L404 VanDerWaalsContact O-N 3.09Å
401Y91.7Very high88.4Confident1 Ų157.6 Ų57.60%0.00433%0.328CS..Hα-helixtrans-62.6-45.3-166.8-163.3-84.9000112.5Y373 I374 F377 G378 W381 F394 H398 M403 L404 I405Y373-Y401 HydrophobicContact CD1-CD2 4.13Å; Y373-Y401 AromaticContact CE1-CD2 3.66Å; Y373-Y401 HydrophobicContact CE1-CD2 3.66Å; Y373-Y401 HydrophobicContact CE1-CE2 4.45Å; I374-Y401 PolarHBondContact O-OH 2.98Å; F377-Y401 HydrophobicContact CB-CD2 4.4Å; F377-Y401 HydrophobicContact CB-CE2 3.79Å; G378-Y401 WeakPolarHBondContact CA-OH 3.49Å; G378-Y401 PolarHBondContact N-OH 3.42Å; W381-Y401 HydrophobicContact CB-CD1 4.27Å; W381-Y401 HydrophobicContact CB-CE1 3.56Å; W381-Y401 AromaticContact CD1-CD1 3.58Å; W381-Y401 AromaticContact CD1-CE1 3.53Å; W381-Y401 HydrophobicContact CD2-CD1 4.5Å; W381-Y401 AromaticContact CD2-CE1 3.77Å; W381-Y401 HydrophobicContact CD2-CE1 3.77Å; W381-Y401 HydrophobicContact CE3-CE1 4.49Å; W381-Y401 AromaticContact CG-CD1 3.86Å; W381-Y401 HydrophobicContact CG-CD1 3.86Å; W381-Y401 AromaticContact CG-CE1 3.3Å; W381-Y401 HydrophobicContact CG-CE1 3.3Å; F394-Y401 AromaticContact CE1-CD1 3.71Å; F394-Y401 HydrophobicContact CE1-CD1 3.71Å; F394-Y401 HydrophobicContact CE1-CD2 4.28Å; F394-Y401 HydrophobicContact CE1-CE1 4.33Å; F394-Y401 AromaticContact CE1-CG 3.69Å; F394-Y401 HydrophobicContact CE1-CG 3.69Å; F394-Y401 AromaticContact CZ-CD1 3.91Å; F394-Y401 HydrophobicContact CZ-CD1 3.91Å; F394-Y401 AromaticContact CZ-CD2 3.9Å; F394-Y401 HydrophobicContact CZ-CD2 3.9Å; F394-Y401 HydrophobicContact CZ-CE1 4.17Å; F394-Y401 HydrophobicContact CZ-CE2 4.18Å; F394-Y401 AromaticContact CZ-CG 3.77Å; F394-Y401 HydrophobicContact CZ-CG 3.77Å; H398-Y401 HydrophobicContact CB-CD2 4.41Å; H398-Y401 HydrophobicContact CB-CG 4.4Å; H398-Y401 VanDerWaalsContact O-CB 3.25Å; H398-Y401 WeakPolarHBondContact O-CB 3.21Å; H398-Y401 PolarHBondContact O-N 3.41Å; Y401-M403 PolarHBondContact O-N 2.91Å; Y401-L404 WeakPolarHBondContact O-CB 3.38Å; Y401-L404 PolarHBondContact O-N 3.26Å; Y401-I405 HydrophobicContact CD1-CD1 4.27Å; Y401-I405 HydrophobicContact CD1-CG1 3.73Å; Y401-I405 HydrophobicContact CE1-CD1 3.58Å; Y401-I405 HydrophobicContact CE1-CG1 3.54Å; Y401-I405 WeakPolarHBondContact O-CG1 3.41Å; Y401-I405 PolarHBondContact O-N 3.25Å
402Q89.8Confident87.8Confident64 Ų6462.2 Ų62.230%0.29935%0.345SS..Hα-helixtrans-58.6-46.6179.4-173.858.734.500112.3R400 L404 I405 E406R400-Q402 PolarHBondContact O-N 3.26Å; Q402-L404 VanDerWaalsContact C-N 3.26Å; Q402-L404 PolarHBondContact O-N 3.02Å; Q402-I405 WeakPolarHBondContact O-CB 3.36Å; Q402-I405 PolarHBondContact O-N 2.71Å; Q402-E406 WeakPolarHBondContact O-CG 3.12Å; Q402-E406 PolarHBondContact O-N 2.97Å
403M90.1Very high86.9Confident94 Ų9464.4 Ų64.446%0.46335%0.347SS..Hα-helixtrans-62.3-33.4176.3-177-176.162.600112.3R400 Y401 K407R400-M403 HydrophobicContact CB-CE 4.42Å; R400-M403 HydrophobicContact CG-CE 4.33Å; R400-M403 VanDerWaalsContact NE-CE 3.29Å; R400-M403 PolarHBondContact O-N 3.42Å; Y401-M403 PolarHBondContact O-N 2.91Å; M403-K407 WeakPolarHBondContact O-CB 3.41Å; M403-K407 PolarHBondContact O-N 3.33Å; M403-K407 VanDerWaalsContact O-N 3.08Å
404L92.3Very high85.7Confident0 Ų064.2 Ų64.20%035%0.351CS..Hα-helixtrans-71.7-36.9176.3-67.7178.3000112E370 Y373 I374 R400 Y401 Q402 K407 Y408E370-L404 HydrophobicContact CB-CD1 4.4Å; E370-L404 HydrophobicContact CB-CD2 3.98Å; E370-L404 VanDerWaalsContact CD-CD2 3.44Å; E370-L404 HydrophobicContact CG-CD1 4.34Å; E370-L404 HydrophobicContact CG-CD2 3.73Å; Y373-L404 HydrophobicContact CD1-CD1 3.69Å; Y373-L404 HydrophobicContact CE1-CD1 4.06Å; I374-L404 HydrophobicContact CD1-CB 3.96Å; I374-L404 HydrophobicContact CG1-CB 4.03Å; R400-L404 HydrophobicContact CB-CD1 4.5Å; R400-L404 WeakPolarHBondContact O-CG 3.16Å; R400-L404 PolarHBondContact O-N 3.46Å; R400-L404 VanDerWaalsContact O-N 3.09Å; Y401-L404 WeakPolarHBondContact O-CB 3.38Å; Y401-L404 PolarHBondContact O-N 3.26Å; Q402-L404 VanDerWaalsContact C-N 3.26Å; Q402-L404 PolarHBondContact O-N 3.02Å; L404-K407 PolarHBondContact O-N 3.03Å; L404-Y408 HydrophobicContact CD2-CD2 4.45Å; L404-Y408 HydrophobicContact CD2-CE2 4.11Å; L404-Y408 PolarHBondContact O-N 3.08Å
405I91.7Very high84.5Confident15 Ų1567.9 Ų67.98%0.07737%0.368CS..Hα-helixtrans-63.6-43172.6-63.7-70.4000110.6I374 W381 Y401 Q402 K407 G409 A410I374-I405 HydrophobicContact CG2-CD1 3.78Å; W381-I405 HydrophobicContact CH2-CG2 4.39Å; W381-I405 HydrophobicContact CZ2-CG1 4.36Å; W381-I405 HydrophobicContact CZ2-CG2 4.21Å; Y401-I405 HydrophobicContact CD1-CD1 4.27Å; Y401-I405 HydrophobicContact CD1-CG1 3.73Å; Y401-I405 HydrophobicContact CE1-CD1 3.58Å; Y401-I405 HydrophobicContact CE1-CG1 3.54Å; Y401-I405 WeakPolarHBondContact O-CG1 3.41Å; Y401-I405 PolarHBondContact O-N 3.25Å; Q402-I405 WeakPolarHBondContact O-CB 3.36Å; Q402-I405 PolarHBondContact O-N 2.71Å; I405-K407 PolarHBondContact O-N 3.33Å; I405-G409 CarbonylContact O-C 3.53Å; I405-G409 WeakPolarHBondContact O-CA 3.41Å; I405-G409 PolarHBondContact O-N 3.13Å; I405-A410 HydrophobicContact CG2-CB 4.3Å
406E90.3Very high83.6Confident142 Ų14265.9 Ų65.966%0.66436%0.355SS*.Hα-helixtrans-62.1-33.9174.8-71.6166.7-166.300112.4Q402Q402-E406 WeakPolarHBondContact O-CG 3.12Å; Q402-E406 PolarHBondContact O-N 2.97Å
407K91.4Very high82.4Confident116 Ų11669.1 Ų69.150%0.50436%0.358SS..Hα-helixtrans-79-40.9-178.8-177.6178.7174.6-168.20113.7E370 M403 L404 I405E370-K407 IonicContact OE2-NZ 2.88Å; E370-K407 PolarHBondContact OE2-NZ 3.13Å; M403-K407 WeakPolarHBondContact O-CB 3.41Å; M403-K407 PolarHBondContact O-N 3.33Å; M403-K407 VanDerWaalsContact O-N 3.08Å; L404-K407 PolarHBondContact O-N 3.03Å; I405-K407 PolarHBondContact O-N 3.33Å
408Y90.1Very high80.8Confident64 Ų6471.6 Ų71.625%0.25137%0.367SS..Hα-helixtrans-116.9-12.1-170.3-63.8-67.3000114.8K367 E370 L371 I374 L404K367-Y408 HydrophobicContact CG-CE1 4.12Å; E370-Y408 HydrophobicContact CB-CE2 3.72Å; E370-Y408 HydrophobicContact CG-CE2 4.48Å; E370-Y408 WeakPolarHBondContact OE2-CE2 2.93Å; E370-Y408 PolarHBondContact OE2-OH 3.48Å; L371-Y408 HydrophobicContact CD2-CD1 3.97Å; L371-Y408 HydrophobicContact CD2-CD2 4.33Å; L371-Y408 HydrophobicContact CD2-CG 3.8Å; I374-Y408 HydrophobicContact CD1-CD2 3.9Å; I374-Y408 HydrophobicContact CD1-CG 4.35Å; L404-Y408 HydrophobicContact CD2-CD2 4.45Å; L404-Y408 HydrophobicContact CD2-CE2 4.11Å; L404-Y408 PolarHBondContact O-N 3.08Å
409G87.1Confident78.8Confident36 Ų3677.2 Ų77.237%0.37140%0.404SS..  trans94.5163-172.400000113.1I405I405-G409 CarbonylContact O-C 3.53Å; I405-G409 WeakPolarHBondContact O-CA 3.41Å; I405-G409 PolarHBondContact O-N 3.13Å
410A84Confident76.7Confident57 Ų5781 Ų8147%0.47142%0.417SS..PPolyproline II helixtrans-73145.9174.300000110.8W381 I405W381-A410 HydrophobicContact CH2-CB 4.01Å; W381-A410 HydrophobicContact CZ3-CB 4.11Å; I405-A410 HydrophobicContact CG2-CB 4.3Å
411P81.1Confident74.4Confident16 Ų1685.1 Ų85.110%0.10445%0.448CS..PPolyproline II helixtrans-65.5137.9177.726-31.2000110.6I374 L416I374-P411 HydrophobicContact CG2-CB 4.09Å; I374-P411 HydrophobicContact CG2-CG 3.96Å; P411-L416 HydrophobicContact CB-CD2 3.83Å; P411-L416 HydrophobicContact CB-CG 4.22Å; P411-L416 HydrophobicContact CG-CD1 4.3Å; P411-L416 HydrophobicContact CG-CD2 3.97Å; P411-L416 HydrophobicContact CG-CG 4.45Å
412E76.1Confident72.2Confident143 Ų14392.5 Ų92.567%0.66848%0.48SS*.PPolyproline II helixtrans-71.9145.7176.6-61.7-176.4176.300110.7G414 E415 L416E412-G414 PolarHBondContact O-N 2.87Å; E412-E415 HydrophobicContact CB-CG 4.23Å; E412-E415 WeakPolarHBondContact O-CB 3.28Å; E412-E415 PolarHBondContact O-N 2.81Å; E412-L416 PolarHBondContact O-N 2.97Å
413E66.6Low70.2Confident165 Ų16591.6 Ų91.677%0.77148%0.483SS*.THydrogen-bonded Turntrans-55.3-27.9-179.9-72.9-174168.500113.4
414G61.7Low68.2Low56 Ų5694.1 Ų94.158%0.57750%0.498SS*.THydrogen-bonded Turntrans-69.6-31.2175.300000113.8E412E412-G414 PolarHBondContact O-N 2.87Å
415E65.7Low66Low88 Ų88103.2 Ų103.241%0.41154%0.538SS..THydrogen-bonded Turntrans-79.1-20.7-178.7-62.3-167.613200113.1K375 E412K375-E415 VanDerWaalsContact CE-OE1 3.32Å; K375-E415 WeakPolarHBondContact CE-OE1 3.38Å; K375-E415 VanDerWaalsContact CE-OE2 3.25Å; K375-E415 WeakPolarHBondContact CE-OE2 3.45Å; K375-E415 VanDerWaalsContact NZ-CD 3.34Å; K375-E415 IonicContact NZ-OE1 3.71Å; K375-E415 PolarHBondContact NZ-OE1 3.19Å; K375-E415 IonicContact NZ-OE2 2.75Å; E412-E415 HydrophobicContact CB-CG 4.23Å; E412-E415 WeakPolarHBondContact O-CB 3.28Å; E412-E415 PolarHBondContact O-N 2.81Å
416L68.2Low64.2Low18 Ų18107.8 Ų107.89%0.09456%0.562CS.*SBendtrans-84.3-13.6-178.7-62178.7000113.3K375 E379 L382 P411 E412 K418K375-L416 WeakPolarHBondContact O-CD2 3.42Å; E379-L416 HydrophobicContact CG-CB 4.03Å; L382-L416 HydrophobicContact CD1-CD1 3.53Å; P411-L416 HydrophobicContact CB-CD2 3.83Å; P411-L416 HydrophobicContact CB-CG 4.22Å; P411-L416 HydrophobicContact CG-CD1 4.3Å; P411-L416 HydrophobicContact CG-CD2 3.97Å; P411-L416 HydrophobicContact CG-CG 4.45Å; E412-L416 PolarHBondContact O-N 2.97Å; L416-K418 PolarHBondContact O-N 3.06Å; L416-K418 VanDerWaalsContact O-N 3.09Å
417K58.5Low62.8Low163 Ų163104.3 Ų104.371%0.70955%0.546SS*.SBendtrans-65.7113.1179.7-69.1-177.8-178.1177.30110
418K54.1Low62.3Low162 Ų162102.6 Ų102.670%0.70454%0.542SS*.PPolyproline II helixtrans-56132.6173.2-66.5-176-177.1-1790109.8L416 E420L416-K418 PolarHBondContact O-N 3.06Å; L416-K418 VanDerWaalsContact O-N 3.09Å; K418-E420 PolarHBondContact O-N 3.37Å; K418-E420 VanDerWaalsContact O-N 3.16Å
419P47.3Very low62.2Low126 Ų126100.5 Ų100.582%0.81854%0.535SS*.PPolyproline II helixtrans-60.1122.1171.922.6-30000108.9
420E43.3Very low62.2Low142 Ų142101.7 Ų101.766%0.66453%0.533SS*.PPolyproline II helixtrans-57.2145.2176.8-74.4-166.9169.600110.9K418 F422K418-E420 PolarHBondContact O-N 3.37Å; K418-E420 VanDerWaalsContact O-N 3.16Å; E420-F422 PolarHBondContact O-N 3.28Å
421P41.2Very low62.6Low120 Ų12099 Ų9978%0.77951%0.51SS*.PPolyproline II helixtrans-56.8140.3-179.522.4-32.2000111.3A423P421-A423 PolarHBondContact O-N 2.75Å
422F46Very low63.2Low155 Ų15599.7 Ų99.768%0.6851%0.514SS*.  trans-63.983.4-168.9-144.2-89.9000112.5E420E420-F422 PolarHBondContact O-N 3.28Å
423A48.1Very low64Low45 Ų4592.9 Ų92.937%0.37248%0.483SS..  trans-102.9117.1168.500000109.3P421 K425 N426P421-A423 PolarHBondContact O-N 2.75Å; A423-K425 PolarHBondContact O-N 2.81Å; A423-N426 PolarHBondContact O-N 3.13Å
424L47.8Very low65.2Low147 Ų14786.6 Ų86.677%0.7746%0.455SS*.G310 helixtrans-51-23.9-179.2-121.695.1000114.3
425K46.6Very low66.7Low192 Ų19284.3 Ų84.384%0.83543%0.429SS*.G310 helixtrans-75.5-21178.6-86.1-176.6173.3179.90114.1A423A423-K425 PolarHBondContact O-N 2.81Å
426N52.3Low67.8Low111 Ų11182.7 Ų82.759%0.59443%0.427SS*.G310 helixtrans-99.53.2-172.9-67.79.8000113.7A423A423-N426 PolarHBondContact O-N 3.13Å
427Q61.4Low68.7Low69 Ų6986.9 Ų86.932%0.32245%0.449SS..  trans-12110.2-174.7-71.6-166.8-10.900115.1I429 P449 A450Q427-I429 PolarHBondContact O-N 3.23Å; Q427-P449 WeakPolarHBondContact O-CA 3.04Å; Q427-A450 PolarHBondContact O-N 2.87Å
428L81.6Confident69.9Low80 Ų8081.1 Ų81.142%0.41943%0.426SS..EExtended strand (participates in β ladder)trans-82.2110.4174.3-67.3178.6000109.4K447 L448 P449L428-K447 HydrophobicContact CB-CB 4.25Å; L428-K447 HydrophobicContact CD1-CB 4.35Å; L428-L448 WeakPolarHBondContact CA-O 3.16Å; L428-P449 HydrophobicContact CD2-CB 4.5Å; L428-P449 HydrophobicContact CD2-CG 3.84Å
429I86.9Confident70.9Confident20 Ų2078.2 Ų78.210%0.10343%0.432CS..EExtended strand (participates in β ladder)trans-88.3137.1169.956.1172.5000109.2Q427 I431 K447 L448 A450 L495 V500 D502Q427-I429 PolarHBondContact O-N 3.23Å; I429-I431 HydrophobicContact CD1-CD1 3.74Å; I429-I431 HydrophobicContact CD1-CG1 4.03Å; I429-I431 HydrophobicContact CG1-CD1 4.06Å; I429-I431 HydrophobicContact CG1-CG1 4.06Å; I429-I431 PolarHBondContact O-N 2.87Å; I429-K447 WeakPolarHBondContact O-CA 3.37Å; I429-L448 VanDerWaalsContact CG1-O 3.27Å; I429-L448 WeakPolarHBondContact CG1-O 3.27Å; I429-L448 PolarHBondContact N-O 2.7Å; I429-L448 PolarHBondContact O-N 2.8Å; I429-A450 HydrophobicContact CD1-CB 4Å; I429-A450 HydrophobicContact CG1-CB 4.38Å; I429-A450 HydrophobicContact CG2-CB 4.47Å; I429-L495 HydrophobicContact CD1-CD1 4.37Å; I429-V500 HydrophobicContact CD1-CG1 4.24Å; I429-D502 HydrophobicContact CB-CB 4.26Å; I429-D502 HydrophobicContact CG2-CB 4.08Å
430N88.8Confident72.7Confident60 Ų6080 Ų8032%0.32144%0.435SS..EExtended strand (participates in β ladder)trans-77.8113169.7-62.5-73000107.8K447 D502 G503N430-K447 WeakPolarHBondContact OD1-CE 3.26Å; N430-K447 WeakPolarHBondContact OD1-CG 3.36Å; N430-D502 VanDerWaalsContact CB-OD1 3.31Å; N430-D502 WeakPolarHBondContact CB-OD1 3.37Å; N430-D502 PolarHBondContact N-OD1 2.94Å; N430-D502 PolarHBondContact ND2-OD1 2.64Å; N430-G503 PolarHBondContact O-N 3.49Å
431I91.3Very high74.7Confident0 Ų077.6 Ų77.60%042%0.42CS..EExtended strand (participates in β ladder)trans-109.7130.5173.3-65.3178.1000108.2I429 F433 S445 K446 L448 L495 V500 V506I429-I431 HydrophobicContact CD1-CD1 3.74Å; I429-I431 HydrophobicContact CD1-CG1 4.03Å; I429-I431 HydrophobicContact CG1-CD1 4.06Å; I429-I431 HydrophobicContact CG1-CG1 4.06Å; I429-I431 PolarHBondContact O-N 2.87Å; I431-F433 HydrophobicContact CG2-CD1 4.39Å; I431-F433 HydrophobicContact CG2-CE1 4.06Å; I431-F433 HydrophobicContact CG2-CE2 4.23Å; I431-F433 HydrophobicContact CG2-CZ 3.97Å; I431-S445 WeakPolarHBondContact O-CA 3.48Å; I431-K446 PolarHBondContact N-O 2.71Å; I431-K446 PolarHBondContact O-N 3.33Å; I431-L448 HydrophobicContact CD1-CD1 4.39Å; I431-L495 HydrophobicContact CD1-CD1 3.42Å; I431-L495 VanDerWaalsContact CD1-CD1 3.42Å; I431-L495 HydrophobicContact CD1-CD2 3.99Å; I431-L495 HydrophobicContact CD1-CG 4.29Å; I431-V500 HydrophobicContact CD1-CG1 4.07Å; I431-V500 HydrophobicContact CG1-CG1 4.4Å; I431-V506 HydrophobicContact CG2-CB 3.95Å; I431-V506 HydrophobicContact CG2-CG2 3.52Å
432T93Very high77Confident31 Ų3179.8 Ų79.819%0.1942%0.419CS..EExtended strand (participates in β ladder)trans-100.5116.7170.7-60.90000109.4V434 P443 S445 D504 Q505 V506T432-V434 HydrophobicContact CG2-CG2 4.12Å; T432-P443 HydrophobicContact CG2-CB 3.69Å; T432-S445 PolarHBondContact OG1-OG 2.87Å; T432-D504 PolarHBondContact N-O 2.97Å; T432-Q505 CarbonylContact O-C 3.41Å; T432-Q505 VanDerWaalsContact O-CA 3.3Å; T432-Q505 WeakPolarHBondContact O-CA 3.32Å; T432-V506 PolarHBondContact O-N 3.02Å
433F93.7Very high79.1Confident1 Ų176.1 Ų76.10%0.00441%0.411CS..EExtended strand (participates in β ladder)trans-82.3121.6172.4-62.8-75.6000109.6I431 F435 P443 I444 K446 L448 I457 L461 V506 V508I431-F433 HydrophobicContact CG2-CD1 4.39Å; I431-F433 HydrophobicContact CG2-CE1 4.06Å; I431-F433 HydrophobicContact CG2-CE2 4.23Å; I431-F433 HydrophobicContact CG2-CZ 3.97Å; F433-F435 HydrophobicContact CB-CE1 4.47Å; F433-F435 HydrophobicContact CB-CZ 4.14Å; F433-P443 CarbonylContact O-C 3.53Å; F433-P443 VanDerWaalsContact O-CA 3.23Å; F433-P443 WeakPolarHBondContact O-CA 3.21Å; F433-P443 WeakPolarHBondContact O-CB 3.3Å; F433-I444 HydrophobicContact CB-CB 4.43Å; F433-I444 WeakPolarHBondContact CD2-O 3.43Å; F433-I444 PolarHBondContact N-O 2.78Å; F433-I444 PolarHBondContact O-N 3.24Å; F433-K446 HydrophobicContact CE2-CB 4.16Å; F433-K446 HydrophobicContact CE2-CG 4.24Å; F433-L448 HydrophobicContact CE2-CD1 3.97Å; F433-L448 HydrophobicContact CZ-CD1 3.71Å; F433-I457 HydrophobicContact CE1-CG2 3.84Å; F433-I457 HydrophobicContact CZ-CG2 3.84Å; F433-L461 HydrophobicContact CB-CD2 4.4Å; F433-L461 HydrophobicContact CD1-CD1 4.21Å; F433-L461 HydrophobicContact CD1-CD2 3.89Å; F433-L461 HydrophobicContact CD2-CD2 4.22Å; F433-L461 HydrophobicContact CE1-CD1 4.08Å; F433-L461 HydrophobicContact CE1-CD2 4.19Å; F433-L461 HydrophobicContact CE1-CG 4.41Å; F433-L461 HydrophobicContact CG-CD2 3.9Å; F433-L461 HydrophobicContact CZ-CD2 4.49Å; F433-V506 CarbonylContact C-O 3.48Å; F433-V506 VanDerWaalsContact CA-O 3.27Å; F433-V506 WeakPolarHBondContact CA-O 3.43Å; F433-V506 HydrophobicContact CD1-CB 3.74Å; F433-V506 HydrophobicContact CD1-CG1 3.8Å; F433-V506 HydrophobicContact CE1-CB 3.88Å; F433-V506 HydrophobicContact CE1-CG1 3.83Å; F433-V506 HydrophobicContact CE1-CG2 4.41Å; F433-V508 HydrophobicContact CB-CG2 4.11Å; F433-V508 HydrophobicContact CD1-CG2 3.72Å; F433-V508 HydrophobicContact CG-CG2 4.34Å
434V92.6Very high81.3Confident32 Ų3275.9 Ų75.919%0.19440%0.403CS..EExtended strand (participates in β ladder)trans-112.9147-179.8-176.30000108.8T432 P436 P443 Q505 V506 L507 V508T432-V434 HydrophobicContact CG2-CG2 4.12Å; V434-P436 WeakPolarHBondContact O-CD 3.26Å; V434-P443 HydrophobicContact CG2-CB 4.45Å; V434-Q505 HydrophobicContact CG2-CB 4.11Å; V434-Q505 HydrophobicContact CG2-CG 4.29Å; V434-V506 PolarHBondContact N-O 3.22Å; V434-L507 WeakPolarHBondContact O-CA 3.15Å; V434-V508 PolarHBondContact O-N 3.33Å
435F93.2Very high83.4Confident8 Ų872.7 Ų72.74%0.03539%0.393CS..  trans-120.683.2-175.3-49.4-69.5000110.3F433 D437 D438 R441 I444 L465 V508 W510F433-F435 HydrophobicContact CB-CE1 4.47Å; F433-F435 HydrophobicContact CB-CZ 4.14Å; F435-D437 PolarHBondContact O-N 3.2Å; F435-D437 VanDerWaalsContact O-N 3.16Å; F435-D438 HydrophobicContact CB-CB 4.05Å; F435-D438 PolarHBondContact O-N 2.79Å; F435-D438 VanDerWaalsContact O-N 3.17Å; F435-R441 HydrophobicContact CD2-CB 4.09Å; F435-R441 HydrophobicContact CD2-CG 3.61Å; F435-R441 HydrophobicContact CE2-CG 3.94Å; F435-R441 HydrophobicContact CG-CG 4.36Å; F435-I444 HydrophobicContact CE2-CD1 4.13Å; F435-I444 HydrophobicContact CE2-CG1 3.99Å; F435-I444 HydrophobicContact CZ-CD1 3.88Å; F435-I444 HydrophobicContact CZ-CG1 4.11Å; F435-L465 HydrophobicContact CE1-CD1 3.73Å; F435-L465 HydrophobicContact CE1-CD2 3.92Å; F435-L465 HydrophobicContact CE1-CG 4.45Å; F435-L465 HydrophobicContact CZ-CD1 4.39Å; F435-L465 HydrophobicContact CZ-CD2 3.86Å; F435-V508 HydrophobicContact CD1-CB 3.81Å; F435-V508 HydrophobicContact CD1-CG1 4.41Å; F435-V508 HydrophobicContact CD1-CG2 4.44Å; F435-V508 HydrophobicContact CE1-CB 3.81Å; F435-V508 HydrophobicContact CE1-CG1 4.25Å; F435-V508 HydrophobicContact CE1-CG2 4.05Å; F435-W510 HydrophobicContact CB-CH2 4.33Å; F435-W510 HydrophobicContact CB-CZ3 4.35Å; F435-W510 HydrophobicContact CD1-CH2 4.27Å; F435-W510 AromaticContact CD1-CZ3 3.77Å; F435-W510 HydrophobicContact CD1-CZ3 3.77Å; F435-W510 HydrophobicContact CG-CZ3 4.42Å
436P87.9Confident85.5Confident54 Ų5467.3 Ų67.335%0.35137%0.37SS..THydrogen-bonded Turntrans-60.2-29.4-173-26.437.2000114.2V434 L507V434-P436 WeakPolarHBondContact O-CD 3.26Å; P436-L507 HydrophobicContact CG-CB 3.95Å; P436-L507 HydrophobicContact CG-CD2 3.63Å; P436-L507 HydrophobicContact CG-CG 4.18Å
437D86.5Confident87.3Confident106 Ų10668.6 Ų68.657%0.56737%0.37SS*.THydrogen-bonded Turntrans-95.21.2-174.7-53.1-27.7000112.5F435 R509F435-D437 PolarHBondContact O-N 3.2Å; F435-D437 VanDerWaalsContact O-N 3.16Å; D437-R509 WeakPolarHBondContact OD2-CD 3.41Å; D437-R509 VanDerWaalsContact OD2-CG 3.27Å; D437-R509 WeakPolarHBondContact OD2-CG 3.4Å; D437-R509 IonicContact OD2-NE 3.92Å
438D85.4Confident88.6Confident43 Ų4365.9 Ų65.923%0.2336%0.358CS..  trans-133.475-177.6-171.2-1.8000109.2F435 D440 R441 W510F435-D438 HydrophobicContact CB-CB 4.05Å; F435-D438 PolarHBondContact O-N 2.79Å; F435-D438 VanDerWaalsContact O-N 3.17Å; D438-D440 PolarHBondContact O-N 3.39Å; D438-R441 HydrophobicContact CB-CB 4.25Å; D438-R441 WeakPolarHBondContact O-CB 3.49Å; D438-R441 PolarHBondContact O-N 2.73Å; D438-R441 WeakPolarHBondContact OD2-CD 3.34Å; D438-R441 IonicContact OD2-CZ 2.64Å; D438-R441 IonicContact OD2-NE 3.51Å; D438-R441 IonicContact OD2-NH1 2.83Å; D438-R441 PolarHBondContact OD2-NH1 3.49Å; D438-W510 HydrophobicContact CB-CH2 3.63Å; D438-W510 HydrophobicContact CB-CZ2 3.97Å
439A75.4Confident88.9Confident100 Ų10064.3 Ų64.383%0.82635%0.352SS*.THydrogen-bonded Turntrans-63.9-21-16900000114.7R441A439-R441 VanDerWaalsContact C-N 3.31Å
440D83.4Confident88.7Confident164 Ų16464.2 Ų64.288%0.87735%0.354SS*.THydrogen-bonded Turntrans-85.2-6.5178.4-65.7-38000112.5D438D438-D440 PolarHBondContact O-N 3.39Å
441R85.4Confident88.4Confident92 Ų9264.2 Ų64.235%0.34736%0.359SS..SBendtrans-95.2124-175.6-171.1171.2-120.6147.5-8.3112.4F435 D438 A439F435-R441 HydrophobicContact CD2-CB 4.09Å; F435-R441 HydrophobicContact CD2-CG 3.61Å; F435-R441 HydrophobicContact CE2-CG 3.94Å; F435-R441 HydrophobicContact CG-CG 4.36Å; D438-R441 HydrophobicContact CB-CB 4.25Å; D438-R441 WeakPolarHBondContact O-CB 3.49Å; D438-R441 PolarHBondContact O-N 2.73Å; D438-R441 WeakPolarHBondContact OD2-CD 3.34Å; D438-R441 IonicContact OD2-CZ 2.64Å; D438-R441 IonicContact OD2-NE 3.51Å; D438-R441 IonicContact OD2-NH1 2.83Å; D438-R441 PolarHBondContact OD2-NH1 3.49Å; A439-R441 VanDerWaalsContact C-N 3.31Å
442E89.5Confident88.2Confident165 Ų16566 Ų6677%0.77137%0.368SS*.PPolyproline II helixtrans-65.6138.9175.2-66.7-170.8163.800112.3
443P91.6Very high88Confident78 Ų7866.2 Ų66.251%0.50637%0.369SS..PPolyproline II helixtrans-58.2143.3174-24.633.8000112.8T432 F433 V434T432-P443 HydrophobicContact CG2-CB 3.69Å; F433-P443 CarbonylContact O-C 3.53Å; F433-P443 VanDerWaalsContact O-CA 3.23Å; F433-P443 WeakPolarHBondContact O-CA 3.21Å; F433-P443 WeakPolarHBondContact O-CB 3.3Å; V434-P443 HydrophobicContact CG2-CB 4.45Å
444I92.6Very high87.9Confident41 Ų4166.2 Ų66.221%0.2137%0.369CS..EExtended strand (participates in β ladder)trans-107.8114.4-179.5-59.4174.9000109.7F433 F435 K446 L464 L465F433-I444 HydrophobicContact CB-CB 4.43Å; F433-I444 WeakPolarHBondContact CD2-O 3.43Å; F433-I444 PolarHBondContact N-O 2.78Å; F433-I444 PolarHBondContact O-N 3.24Å; F435-I444 HydrophobicContact CE2-CD1 4.13Å; F435-I444 HydrophobicContact CE2-CG1 3.99Å; F435-I444 HydrophobicContact CZ-CD1 3.88Å; F435-I444 HydrophobicContact CZ-CG1 4.11Å; I444-K446 HydrophobicContact CG2-CG 4.18Å; I444-L464 HydrophobicContact CG2-CD1 4.38Å; I444-L465 HydrophobicContact CD1-CD2 4.29Å
445S92.2Very high87.7Confident79 Ų7970.3 Ų70.355%0.55239%0.386SS*.EExtended strand (participates in β ladder)trans-91130.8173.6-64.90000112.1I431 T432I431-S445 WeakPolarHBondContact O-CA 3.48Å; T432-S445 PolarHBondContact OG1-OG 2.87Å
446K91.1Very high87.6Confident79 Ų7976.6 Ų76.634%0.34341%0.414SS..EExtended strand (participates in β ladder)trans-135.6141.9175.8-67.4-65.5-179.1-170.90111.3I431 F433 I444 L448 L460I431-K446 PolarHBondContact N-O 2.71Å; I431-K446 PolarHBondContact O-N 3.33Å; F433-K446 HydrophobicContact CE2-CB 4.16Å; F433-K446 HydrophobicContact CE2-CG 4.24Å; I444-K446 HydrophobicContact CG2-CG 4.18Å; K446-L448 HydrophobicContact CB-CD1 4.39Å; K446-L448 HydrophobicContact CB-CD2 4.12Å; K446-L448 HydrophobicContact CB-CG 4.01Å; K446-L460 HydrophobicContact CG-CD2 4.45Å
447K90.6Very high87.8Confident138 Ų13874.1 Ų74.160%0.640%0.398SS*.EExtended strand (participates in β ladder)trans-85.4112.1167.6-76.8-176178.5-173.70109.3L428 I429 N430L428-K447 HydrophobicContact CB-CB 4.25Å; L428-K447 HydrophobicContact CD1-CB 4.35Å; I429-K447 WeakPolarHBondContact O-CA 3.37Å; N430-K447 WeakPolarHBondContact OD1-CE 3.26Å; N430-K447 WeakPolarHBondContact OD1-CG 3.36Å
448L89Confident88.1Confident13 Ų1370.2 Ų70.27%0.06838%0.375CS..EExtended strand (participates in β ladder)trans-126.5146.3-176.6-58.7178.4000110.4L428 I429 I431 F433 K446 M452 L460L428-L448 WeakPolarHBondContact CA-O 3.16Å; I429-L448 VanDerWaalsContact CG1-O 3.27Å; I429-L448 WeakPolarHBondContact CG1-O 3.27Å; I429-L448 PolarHBondContact N-O 2.7Å; I429-L448 PolarHBondContact O-N 2.8Å; I431-L448 HydrophobicContact CD1-CD1 4.39Å; F433-L448 HydrophobicContact CE2-CD1 3.97Å; F433-L448 HydrophobicContact CZ-CD1 3.71Å; K446-L448 HydrophobicContact CB-CD1 4.39Å; K446-L448 HydrophobicContact CB-CD2 4.12Å; K446-L448 HydrophobicContact CB-CG 4.01Å; L448-M452 HydrophobicContact CB-SD 4.28Å; L448-M452 HydrophobicContact CD1-SD 4.43Å; L448-M452 HydrophobicContact CD2-SD 3.91Å; L448-M452 HydrophobicContact CG-SD 4.44Å; L448-L460 HydrophobicContact CD1-CD2 4.21Å; L448-L460 HydrophobicContact CD2-CD2 3.78Å
449P86.9Confident88.4Confident47 Ų4769.4 Ų69.431%0.30538%0.378SS..EExtended strand (participates in β ladder)trans-65135.9171-18.430.6000110.8Q427 L428 S451 M452Q427-P449 WeakPolarHBondContact O-CA 3.04Å; L428-P449 HydrophobicContact CD2-CB 4.5Å; L428-P449 HydrophobicContact CD2-CG 3.84Å; P449-S451 PolarHBondContact O-N 2.56Å; P449-S451 VanDerWaalsContact O-N 3.13Å; P449-M452 WeakPolarHBondContact O-CB 3.26Å; P449-M452 PolarHBondContact O-N 3.46Å
450A83.1Confident89.2Confident17 Ų1765.9 Ų65.914%0.1435%0.345CS..THydrogen-bonded Turntrans-60.2-22.3172.200000112.7Q427 I429 M452 L495 H496Q427-A450 PolarHBondContact O-N 2.87Å; I429-A450 HydrophobicContact CD1-CB 4Å; I429-A450 HydrophobicContact CG1-CB 4.38Å; I429-A450 HydrophobicContact CG2-CB 4.47Å; A450-M452 VanDerWaalsContact C-N 3.26Å; A450-M452 PolarHBondContact O-N 3.36Å; A450-L495 WeakPolarHBondContact O-CB 3.43Å; A450-L495 PolarHBondContact O-N 2.8Å; A450-H496 HydrophobicContact CB-CB 4.4Å; A450-H496 WeakPolarHBondContact O-CB 3.5Å; A450-H496 PolarHBondContact O-N 3.45Å
451S82Confident89.7Confident61 Ų6158 Ų5843%0.42730%0.303SS..THydrogen-bonded Turntrans-78.6-1.4173.357.60000114.3P449 V453 T494P449-S451 PolarHBondContact O-N 2.56Å; P449-S451 VanDerWaalsContact O-N 3.13Å; S451-V453 PolarHBondContact O-N 2.73Å; S451-T494 VanDerWaalsContact O-CG2 3.24Å; S451-T494 WeakPolarHBondContact O-CG2 3.36Å
452M86.2Confident90Very high36 Ų3657.2 Ų57.218%0.17730%0.303CS..  trans-69.1127.4179.8-166.4167.6-176.500110.7L448 P449 A450 K456 I457 T494 L495L448-M452 HydrophobicContact CB-SD 4.28Å; L448-M452 HydrophobicContact CD1-SD 4.43Å; L448-M452 HydrophobicContact CD2-SD 3.91Å; L448-M452 HydrophobicContact CG-SD 4.44Å; P449-M452 WeakPolarHBondContact O-CB 3.26Å; P449-M452 PolarHBondContact O-N 3.46Å; A450-M452 VanDerWaalsContact C-N 3.26Å; A450-M452 PolarHBondContact O-N 3.36Å; M452-K456 HydrophobicContact CE-CB 3.57Å; M452-K456 HydrophobicContact CG-CB 4.09Å; M452-I457 HydrophobicContact CE-CG1 4.46Å; M452-I457 HydrophobicContact CG-CG1 3.99Å; M452-I457 HydrophobicContact SD-CG1 4.14Å; M452-T494 WeakPolarHBondContact O-CA 3.16Å; M452-L495 HydrophobicContact CB-CD1 4.43Å; M452-L495 PolarHBondContact O-N 2.82Å; M452-L495 VanDerWaalsContact O-N 3.16Å
453V90.1Very high90.1Very high37 Ų3756.9 Ų56.922%0.22429%0.294CS..BIsolated β-bridgetrans-72.6139.9178.6177.10000110.5S451 Q455 K456 I457 D491 K493 T494S451-V453 PolarHBondContact O-N 2.73Å; V453-Q455 VanDerWaalsContact C-N 3.25Å; V453-Q455 HydrophobicContact CG1-CB 4.22Å; V453-Q455 PolarHBondContact O-N 3.44Å; V453-K456 WeakPolarHBondContact O-CA 3.29Å; V453-K456 WeakPolarHBondContact O-CB 3.32Å; V453-K456 PolarHBondContact O-N 3.33Å; V453-I457 PolarHBondContact O-N 2.75Å; V453-D491 WeakPolarHBondContact CG1-O 3.48Å; V453-K493 WeakPolarHBondContact CA-O 2.93Å; V453-T494 HydrophobicContact CG2-CG2 4.03Å
454V90.5Very high89.9Confident1 Ų156.3 Ų56.31%0.00629%0.287CS..Hα-helixtrans-54.3-38.4-176.7171.70000112.5K456 I457 K458 L474 I488 K493 Y498V454-K456 VanDerWaalsContact C-N 3.26Å; V454-K456 PolarHBondContact O-N 3.35Å; V454-I457 CarbonylContact O-C 3.21Å; V454-I457 WeakPolarHBondContact O-CA 3.28Å; V454-I457 WeakPolarHBondContact O-CB 3.44Å; V454-I457 PolarHBondContact O-N 3.29Å; V454-K458 HydrophobicContact CG1-CG 4.49Å; V454-K458 PolarHBondContact O-N 2.92Å; V454-L474 HydrophobicContact CG1-CD1 4.1Å; V454-I488 HydrophobicContact CB-CG2 4.28Å; V454-I488 HydrophobicContact CG1-CG2 3.83Å; V454-I488 HydrophobicContact CG2-CG2 3.38Å; V454-K493 WeakPolarHBondContact CG2-O 3.5Å; V454-K493 PolarHBondContact N-O 3.09Å; V454-Y498 HydrophobicContact CG2-CD2 4.37Å; V454-Y498 HydrophobicContact CG2-CE2 3.75Å
455Q88.8Confident89.8Confident118 Ų11855 Ų5555%0.55128%0.28SS*.Hα-helixtrans-54.7-40.5173.8-170.1-174.72.900112.9V453 I457 G459 D491V453-Q455 VanDerWaalsContact C-N 3.25Å; V453-Q455 HydrophobicContact CG1-CB 4.22Å; V453-Q455 PolarHBondContact O-N 3.44Å; Q455-I457 VanDerWaalsContact C-N 3.32Å; Q455-G459 PolarHBondContact O-N 2.88Å; Q455-D491 HydrophobicContact CB-CB 4.28Å; Q455-D491 WeakPolarHBondContact CB-O 3.35Å; Q455-D491 PolarHBondContact N-O 2.71Å
456K91.2Very high89.6Confident139 Ų13959 Ų5960%0.60429%0.287SS*.Hα-helixtrans-71.3-30.1177.5-64.7-176.1177.2176.80111.6M452 V453 V454 G459 L460M452-K456 HydrophobicContact CE-CB 3.57Å; M452-K456 HydrophobicContact CG-CB 4.09Å; V453-K456 WeakPolarHBondContact O-CA 3.29Å; V453-K456 WeakPolarHBondContact O-CB 3.32Å; V453-K456 PolarHBondContact O-N 3.33Å; V454-K456 VanDerWaalsContact C-N 3.26Å; V454-K456 PolarHBondContact O-N 3.35Å; K456-G459 PolarHBondContact O-N 2.93Å; K456-L460 PolarHBondContact O-N 2.83Å
457I92.6Very high89.6Confident3 Ų356.2 Ų56.22%0.01528%0.276CS..Hα-helixtrans-70.1-46.7175.5-59174.5000109.9F433 M452 V453 V454 Q455 G459 L460 L461 L474 L495F433-I457 HydrophobicContact CE1-CG2 3.84Å; F433-I457 HydrophobicContact CZ-CG2 3.84Å; M452-I457 HydrophobicContact CE-CG1 4.46Å; M452-I457 HydrophobicContact CG-CG1 3.99Å; M452-I457 HydrophobicContact SD-CG1 4.14Å; V453-I457 PolarHBondContact O-N 2.75Å; V454-I457 CarbonylContact O-C 3.21Å; V454-I457 WeakPolarHBondContact O-CA 3.28Å; V454-I457 WeakPolarHBondContact O-CB 3.44Å; V454-I457 PolarHBondContact O-N 3.29Å; Q455-I457 VanDerWaalsContact C-N 3.32Å; I457-G459 VanDerWaalsContact C-N 3.27Å; I457-G459 PolarHBondContact O-N 2.76Å; I457-L460 WeakPolarHBondContact O-CA 3.3Å; I457-L460 WeakPolarHBondContact O-CB 3.38Å; I457-L460 PolarHBondContact O-N 3.41Å; I457-L461 HydrophobicContact CG2-CD1 4.1Å; I457-L461 WeakPolarHBondContact O-CG 3.3Å; I457-L461 PolarHBondContact O-N 3.05Å; I457-L474 HydrophobicContact CG2-CD1 4.36Å; I457-L495 HydrophobicContact CD1-CD1 3.44Å; I457-L495 VanDerWaalsContact CD1-CD1 3.44Å; I457-L495 HydrophobicContact CD1-CD2 3.56Å; I457-L495 HydrophobicContact CD1-CG 3.4Å
458K92.9Very high89.6Confident23 Ų2352.6 Ų52.610%0.127%0.267CS..Hα-helixtrans-58.9-38.8171.5-71.4-177.9168.8-1800111.8V454 L460 L461 H462 P469 L472 L474 D491V454-K458 HydrophobicContact CG1-CG 4.49Å; V454-K458 PolarHBondContact O-N 2.92Å; K458-L460 PolarHBondContact O-N 3.41Å; K458-L461 PolarHBondContact O-N 3.06Å; K458-H462 WeakPolarHBondContact O-CB 3.36Å; K458-H462 PolarHBondContact O-N 3.28Å; K458-P469 HydrophobicContact CB-CB 4.1Å; K458-L472 HydrophobicContact CB-CD1 4.18Å; K458-L472 WeakPolarHBondContact CE-O 3.42Å; K458-L472 HydrophobicContact CG-CB 4.32Å; K458-L472 HydrophobicContact CG-CD1 4.35Å; K458-L472 PolarHBondContact NZ-O 3.03Å; K458-L474 HydrophobicContact CG-CD1 3.91Å; K458-D491 WeakPolarHBondContact CD-OD1 3.33Å; K458-D491 VanDerWaalsContact CE-OD1 3.27Å; K458-D491 WeakPolarHBondContact CE-OD1 3.39Å; K458-D491 IonicContact NZ-OD1 2.71Å; K458-D491 PolarHBondContact NZ-OD1 3.02Å; K458-D491 IonicContact NZ-OD2 2.73Å
459G91.3Very high89.5Confident27 Ų2754.5 Ų54.528%0.27828%0.28SS..Hα-helixtrans-66.1-31.6172.300000114.4Q455 K456 I457 R463Q455-G459 PolarHBondContact O-N 2.88Å; K456-G459 PolarHBondContact O-N 2.93Å; I457-G459 VanDerWaalsContact C-N 3.27Å; I457-G459 PolarHBondContact O-N 2.76Å; G459-R463 WeakPolarHBondContact O-CG 3.48Å; G459-R463 PolarHBondContact O-N 3.27Å; G459-R463 PolarHBondContact O-NE 2.89Å
460L92.9Very high89.6Confident25 Ų2556.7 Ų56.713%0.13130%0.302CS..Hα-helixtrans-68.5-48.7170.6176.167.7000110.8K446 L448 K456 I457 K458 H462 R463 L464K446-L460 HydrophobicContact CG-CD2 4.45Å; L448-L460 HydrophobicContact CD1-CD2 4.21Å; L448-L460 HydrophobicContact CD2-CD2 3.78Å; K456-L460 PolarHBondContact O-N 2.83Å; I457-L460 WeakPolarHBondContact O-CA 3.3Å; I457-L460 WeakPolarHBondContact O-CB 3.38Å; I457-L460 PolarHBondContact O-N 3.41Å; K458-L460 PolarHBondContact O-N 3.41Å; L460-H462 VanDerWaalsContact C-N 3.34Å; L460-H462 PolarHBondContact O-N 3.11Å; L460-R463 PolarHBondContact O-N 2.71Å; L460-R463 VanDerWaalsContact O-N 3.14Å; L460-L464 HydrophobicContact CD1-CD1 4.24Å; L460-L464 HydrophobicContact CG-CD1 4.04Å; L460-L464 WeakPolarHBondContact O-CG 3.47Å; L460-L464 PolarHBondContact O-N 3.19Å; L460-L464 VanDerWaalsContact O-N 3.17Å
461L92.8Very high89.9Confident0 Ų058.9 Ų58.90%031%0.311CS..Hα-helixtrans-63.4-38.5179-70168.9000111.7F433 I457 K458 R463 L464 L465 L472 L474 V508F433-L461 HydrophobicContact CB-CD2 4.4Å; F433-L461 HydrophobicContact CD1-CD1 4.21Å; F433-L461 HydrophobicContact CD1-CD2 3.89Å; F433-L461 HydrophobicContact CD2-CD2 4.22Å; F433-L461 HydrophobicContact CE1-CD1 4.08Å; F433-L461 HydrophobicContact CE1-CD2 4.19Å; F433-L461 HydrophobicContact CE1-CG 4.41Å; F433-L461 HydrophobicContact CG-CD2 3.9Å; F433-L461 HydrophobicContact CZ-CD2 4.49Å; I457-L461 HydrophobicContact CG2-CD1 4.1Å; I457-L461 WeakPolarHBondContact O-CG 3.3Å; I457-L461 PolarHBondContact O-N 3.05Å; K458-L461 PolarHBondContact O-N 3.06Å; L461-R463 VanDerWaalsContact C-N 3.32Å; L461-R463 PolarHBondContact O-N 2.75Å; L461-L464 PolarHBondContact O-N 3.05Å; L461-L465 HydrophobicContact CB-CD1 4.23Å; L461-L465 HydrophobicContact CD2-CD1 4.18Å; L461-L465 VanDerWaalsContact O-CB 3.29Å; L461-L465 WeakPolarHBondContact O-CB 3.18Å; L461-L465 WeakPolarHBondContact O-CG 3.42Å; L461-L465 PolarHBondContact O-N 3.09Å; L461-L472 HydrophobicContact CB-CD1 3.69Å; L461-L472 HydrophobicContact CD1-CD1 4.46Å; L461-L474 HydrophobicContact CD1-CD1 4.41Å; L461-L474 HydrophobicContact CD1-CD2 3.67Å; L461-V508 HydrophobicContact CD1-CG1 4.12Å; L461-V508 HydrophobicContact CD1-CG2 3.9Å; L461-V508 HydrophobicContact CD2-CG2 4.23Å
462H92.1Very high90.4Very high74 Ų7456 Ų5634%0.34329%0.291SS..Hα-helixtrans-56.9-44.2171.7172.366.9000112.2K458 L460 L464 K466 I467 P469K458-H462 WeakPolarHBondContact O-CB 3.36Å; K458-H462 PolarHBondContact O-N 3.28Å; L460-H462 VanDerWaalsContact C-N 3.34Å; L460-H462 PolarHBondContact O-N 3.11Å; H462-L464 VanDerWaalsContact C-N 3.29Å; H462-L464 PolarHBondContact O-N 3.41Å; H462-K466 WeakPolarHBondContact O-CA 3.48Å; H462-K466 PolarHBondContact O-N 2.9Å; H462-I467 WeakPolarHBondContact CA-O 3.36Å; H462-I467 WeakPolarHBondContact CB-O 3.43Å; H462-I467 PolarHBondContact ND1-O 3.42Å; H462-P469 HydrophobicContact CB-CG 3.9Å
463R90.8Very high90.7Very high158 Ų15862.4 Ų62.460%0.59631%0.313SS*.Hα-helixtrans-65-35.1179-74.3-179.1-68.9160.6-0.9112.5G459 L460 L461 K466G459-R463 WeakPolarHBondContact O-CG 3.48Å; G459-R463 PolarHBondContact O-N 3.27Å; G459-R463 PolarHBondContact O-NE 2.89Å; L460-R463 PolarHBondContact O-N 2.71Å; L460-R463 VanDerWaalsContact O-N 3.14Å; L461-R463 VanDerWaalsContact C-N 3.32Å; L461-R463 PolarHBondContact O-N 2.75Å; R463-K466 PolarHBondContact O-NZ 2.88Å; R463-K466 VanDerWaalsContact O-NZ 3.07Å
464L89.1Confident90.9Very high67 Ų6761 Ų6135%0.35131%0.305SS..Hα-helixtrans-81.2-43.6-178-66.8172.2000112.9I444 L460 L461 H462I444-L464 HydrophobicContact CG2-CD1 4.38Å; L460-L464 HydrophobicContact CD1-CD1 4.24Å; L460-L464 HydrophobicContact CG-CD1 4.04Å; L460-L464 WeakPolarHBondContact O-CG 3.47Å; L460-L464 PolarHBondContact O-N 3.19Å; L460-L464 VanDerWaalsContact O-N 3.17Å; L461-L464 PolarHBondContact O-N 3.05Å; H462-L464 VanDerWaalsContact C-N 3.29Å; H462-L464 PolarHBondContact O-N 3.41Å
465L88.9Confident91.1Very high12 Ų1262.2 Ų62.26%0.06331%0.312CS..Hα-helixtrans-99.6-15.4-171.4-55.2175.4000113.1F435 I444 L461 I467 L472 V508F435-L465 HydrophobicContact CE1-CD1 3.73Å; F435-L465 HydrophobicContact CE1-CD2 3.92Å; F435-L465 HydrophobicContact CE1-CG 4.45Å; F435-L465 HydrophobicContact CZ-CD1 4.39Å; F435-L465 HydrophobicContact CZ-CD2 3.86Å; I444-L465 HydrophobicContact CD1-CD2 4.29Å; L461-L465 HydrophobicContact CB-CD1 4.23Å; L461-L465 HydrophobicContact CD2-CD1 4.18Å; L461-L465 VanDerWaalsContact O-CB 3.29Å; L461-L465 WeakPolarHBondContact O-CB 3.18Å; L461-L465 WeakPolarHBondContact O-CG 3.42Å; L461-L465 PolarHBondContact O-N 3.09Å; L465-I467 HydrophobicContact CB-CB 4.39Å; L465-I467 HydrophobicContact CB-CD1 3.78Å; L465-I467 HydrophobicContact CB-CG1 3.94Å; L465-I467 HydrophobicContact CD1-CD1 4.22Å; L465-I467 PolarHBondContact O-N 2.83Å; L465-L472 HydrophobicContact CD1-CD2 4.46Å; L465-V508 HydrophobicContact CD1-CG1 4.14Å
466K88.9Confident91.3Very high163 Ų16357.6 Ų57.671%0.70929%0.29SS*.  trans60.624.1-172.4-52.7-56-173.8-165.10114.2H462 R463H462-K466 WeakPolarHBondContact O-CA 3.48Å; H462-K466 PolarHBondContact O-N 2.9Å; R463-K466 PolarHBondContact O-NZ 2.88Å; R463-K466 VanDerWaalsContact O-NZ 3.07Å
467I90.1Very high91.2Very high21 Ų2152.2 Ų52.211%0.10827%0.269CS..  trans-98.9133.1177.9-59.5169.5000109.2H462 L465 D471 L472 W510H462-I467 WeakPolarHBondContact CA-O 3.36Å; H462-I467 WeakPolarHBondContact CB-O 3.43Å; H462-I467 PolarHBondContact ND1-O 3.42Å; L465-I467 HydrophobicContact CB-CB 4.39Å; L465-I467 HydrophobicContact CB-CD1 3.78Å; L465-I467 HydrophobicContact CB-CG1 3.94Å; L465-I467 HydrophobicContact CD1-CD1 4.22Å; L465-I467 PolarHBondContact O-N 2.83Å; I467-D471 HydrophobicContact CG2-CB 4.18Å; I467-L472 HydrophobicContact CB-CD2 4.11Å; I467-L472 HydrophobicContact CD1-CD2 4.43Å; I467-L472 HydrophobicContact CG2-CD2 3.81Å; I467-L472 HydrophobicContact CG2-CG 4.21Å; I467-W510 HydrophobicContact CD1-CB 4.33Å; I467-W510 HydrophobicContact CD1-CD2 3.33Å; I467-W510 HydrophobicContact CD1-CE3 3.71Å; I467-W510 HydrophobicContact CD1-CG 3.62Å; I467-W510 HydrophobicContact CD1-CH2 4.35Å; I467-W510 HydrophobicContact CD1-CZ2 4.02Å; I467-W510 HydrophobicContact CD1-CZ3 4.21Å; I467-W510 HydrophobicContact CG2-CB 3.92Å; I467-W510 HydrophobicContact CG2-CG 4.19Å
468P90.8Very high90.7Very high63 Ų6353 Ų5341%0.40927%0.274SS..  trans-55.1138.2177.7-2534.9000112.5A470 D471P468-A470 PolarHBondContact O-N 3.46Å; P468-A470 VanDerWaalsContact O-N 3.11Å; P468-D471 WeakPolarHBondContact CB-OD2 3.35Å; P468-D471 WeakPolarHBondContact CD-OD2 3.3Å; P468-D471 VanDerWaalsContact CG-OD2 3.29Å; P468-D471 WeakPolarHBondContact CG-OD2 3.27Å; P468-D471 PolarHBondContact O-N 2.98Å
469P88.3Confident90.1Very high53 Ų5357 Ų5734%0.34429%0.293SS..THydrogen-bonded Turntrans-56.2-29.3179.7-27.835.1000114.9K458 H462 D471 L472K458-P469 HydrophobicContact CB-CB 4.1Å; H462-P469 HydrophobicContact CB-CG 3.9Å; P469-D471 VanDerWaalsContact C-N 3.28Å; P469-D471 PolarHBondContact O-N 2.85Å; P469-L472 PolarHBondContact O-N 2.77Å
470A87.9Confident89.3Confident92 Ų9261.9 Ų61.976%0.7631%0.306SS*.THydrogen-bonded Turntrans-67.5-29179.800000112.8P468P468-A470 PolarHBondContact O-N 3.46Å; P468-A470 VanDerWaalsContact O-N 3.11Å
471D90.8Very high88.3Confident63 Ų6364 Ų6434%0.33732%0.32SS..THydrogen-bonded Turntrans-88.2-13.7-176-54.9-23.7000111.3I467 P468 P469 W510I467-D471 HydrophobicContact CG2-CB 4.18Å; P468-D471 WeakPolarHBondContact CB-OD2 3.35Å; P468-D471 WeakPolarHBondContact CD-OD2 3.3Å; P468-D471 VanDerWaalsContact CG-OD2 3.29Å; P468-D471 WeakPolarHBondContact CG-OD2 3.27Å; P468-D471 PolarHBondContact O-N 2.98Å; P469-D471 VanDerWaalsContact C-N 3.28Å; P469-D471 PolarHBondContact O-N 2.85Å; D471-W510 VanDerWaalsContact O-CA 3.23Å; D471-W510 WeakPolarHBondContact O-CA 3.23Å
472L92.4Very high87.1Confident2 Ų269.7 Ų69.71%0.0136%0.36CS..EExtended strand (participates in β ladder)trans-76.6124.1179.1-65.5176000111.8K458 L461 L465 I467 P469 V508 W510K458-L472 HydrophobicContact CB-CD1 4.18Å; K458-L472 WeakPolarHBondContact CE-O 3.42Å; K458-L472 HydrophobicContact CG-CB 4.32Å; K458-L472 HydrophobicContact CG-CD1 4.35Å; K458-L472 PolarHBondContact NZ-O 3.03Å; L461-L472 HydrophobicContact CB-CD1 3.69Å; L461-L472 HydrophobicContact CD1-CD1 4.46Å; L465-L472 HydrophobicContact CD1-CD2 4.46Å; I467-L472 HydrophobicContact CB-CD2 4.11Å; I467-L472 HydrophobicContact CD1-CD2 4.43Å; I467-L472 HydrophobicContact CG2-CD2 3.81Å; I467-L472 HydrophobicContact CG2-CG 4.21Å; P469-L472 PolarHBondContact O-N 2.77Å; L472-V508 HydrophobicContact CD2-CG1 3.83Å; L472-W510 HydrophobicContact CD2-CB 4.36Å
473R92.1Very high86.1Confident169 Ų16970.1 Ų70.164%0.63838%0.384SS*.EExtended strand (participates in β ladder)trans-112.5129.5169.8-61.1-177.2-172.6-174.63.5109.2R509R473-R509 HydrophobicContact CB-CB 4.45Å; R473-R509 PolarHBondContact N-O 3.43Å; R473-R509 PolarHBondContact O-N 2.95Å
474L94.1Very high85.6Confident8 Ų865.5 Ų65.54%0.04237%0.374CS..EExtended strand (participates in β ladder)trans-117.6129.7-175.1-56.7179.9000109.5V454 I457 K458 L461 I488 V506 L507 V508V454-L474 HydrophobicContact CG1-CD1 4.1Å; I457-L474 HydrophobicContact CG2-CD1 4.36Å; K458-L474 HydrophobicContact CG-CD1 3.91Å; L461-L474 HydrophobicContact CD1-CD1 4.41Å; L461-L474 HydrophobicContact CD1-CD2 3.67Å; L474-I488 HydrophobicContact CB-CB 3.97Å; L474-I488 HydrophobicContact CB-CD1 4.24Å; L474-I488 HydrophobicContact CB-CG2 4.41Å; L474-I488 WeakPolarHBondContact O-CB 3.38Å; L474-I488 PolarHBondContact O-N 3.47Å; L474-V506 HydrophobicContact CB-CG1 4.38Å; L474-V506 HydrophobicContact CD2-CG1 4.21Å; L474-L507 WeakPolarHBondContact CA-O 3.32Å; L474-V508 HydrophobicContact CD2-CB 4.12Å; L474-V508 HydrophobicContact CD2-CG1 3.88Å; L474-V508 HydrophobicContact CD2-CG2 3.77Å
475T93.4Very high85.6Confident26 Ų2666.5 Ų66.516%0.1638%0.377CS..EExtended strand (participates in β ladder)trans-123.6166.6162.559.30000108.3E485 F486 V506 L507 R509T475-E485 PolarHBondContact OG1-OE2 2.91Å; T475-F486 CarbonylContact C-O 3.53Å; T475-F486 WeakPolarHBondContact CA-O 3.24Å; T475-F486 VanDerWaalsContact CB-O 3.29Å; T475-F486 WeakPolarHBondContact CB-O 3.24Å; T475-V506 CarbonylContact O-C 3.44Å; T475-V506 WeakPolarHBondContact O-CA 3.27Å; T475-L507 PolarHBondContact N-O 2.87Å; T475-L507 PolarHBondContact O-N 2.9Å; T475-L507 WeakPolarHBondContact OG1-CB 3.2Å; T475-R509 PolarHBondContact OG1-NH1 2.81Å; T475-R509 VanDerWaalsContact OG1-NH1 3.09Å
476Y93Very high85.6Confident22 Ų2269.5 Ų69.59%0.08639%0.389CS..EExtended strand (participates in β ladder)trans-134.8153170.682.2-78.3000111.8F486 I488 Y498 V500 Q505Y476-F486 HydrophobicContact CD1-CB 3.71Å; Y476-F486 HydrophobicContact CE1-CB 3.27Å; Y476-F486 HydrophobicContact CE1-CD2 4.24Å; Y476-F486 HydrophobicContact CE1-CG 4.01Å; Y476-F486 HydrophobicContact CE2-CD2 4.2Å; Y476-F486 AromaticContact CZ-CD2 3.87Å; Y476-F486 AromaticContact CZ-CG 4Å; Y476-F486 PolarHBondContact N-O 3.01Å; Y476-F486 PolarHBondContact O-N 3.45Å; Y476-I488 HydrophobicContact CD1-CD1 4.17Å; Y476-I488 HydrophobicContact CD1-CG1 3.96Å; Y476-Y498 WeakPolarHBondContact CE1-O 3.49Å; Y476-Y498 PolarHBondContact OH-O 2.8Å; Y476-V500 HydrophobicContact CD1-CG2 4Å; Y476-V500 HydrophobicContact CD2-CG2 3.9Å; Y476-V500 HydrophobicContact CE1-CG2 4.21Å; Y476-V500 HydrophobicContact CE2-CG2 4.13Å; Y476-V500 HydrophobicContact CG-CG2 3.86Å; Y476-Q505 CarbonylContact C-O 3.52Å; Y476-Q505 WeakPolarHBondContact CA-O 3.43Å; Y476-Q505 WeakPolarHBondContact CB-O 3.5Å
477T90.3Very high85.6Confident26 Ų2665.7 Ų65.716%0.1638%0.382CS..EExtended strand (participates in β ladder)trans-117.2129.7170.552.80000108.3T484 E485 Q505 L507T477-T484 WeakPolarHBondContact CG2-O 3.38Å; T477-E485 HydrophobicContact CG2-CG 3.79Å; T477-Q505 PolarHBondContact N-O 2.89Å; T477-Q505 PolarHBondContact O-N 3.11Å; T477-L507 HydrophobicContact CG2-CD1 3.63Å
478S82.8Confident85.6Confident19 Ų1965.1 Ų65.113%0.13338%0.378CS..  trans-76.3138.8175.2-178.30000110.8K480 V481 D504S478-K480 PolarHBondContact O-N 3.2Å; S478-K480 VanDerWaalsContact O-N 3.17Å; S478-K480 PolarHBondContact OG-N 3.18Å; S478-V481 CarbonylContact O-C 3.54Å; S478-V481 PolarHBondContact O-N 3.24Å; S478-V481 VanDerWaalsContact O-O 3.07Å; S478-D504 VanDerWaalsContact CA-OD1 3.27Å; S478-D504 WeakPolarHBondContact CA-OD1 3.47Å; S478-D504 PolarHBondContact OG-OD1 3.23Å
479H79.1Confident85.4Confident107 Ų10768.1 Ų68.150%0.49539%0.391SS..THydrogen-bonded Turntrans-62.2-18.9171.569.5-81.3000113.1E501 D502 D504H479-E501 IonicContact CE1-OE2 2.85Å; H479-D502 PolarHBondContact CE1-O 3.25Å; H479-D504 IonicContact CE1-OD1 3.55Å; H479-D504 IonicContact CG-OD1 2.61Å; H479-D504 PolarHBondContact N-OD1 2.88Å; H479-D504 IonicContact ND1-OD1 3.93Å; H479-D504 PolarHBondContact ND1-OD1 3.36Å
480K74.5Confident85.3Confident129 Ų12967.4 Ų67.456%0.56139%0.387SS*.THydrogen-bonded Turntrans-85.1-19.5178.3-60.4179.7-175.2164.80113.8S478 E501S478-K480 PolarHBondContact O-N 3.2Å; S478-K480 VanDerWaalsContact O-N 3.17Å; S478-K480 PolarHBondContact OG-N 3.18Å; K480-E501 WeakPolarHBondContact CE-OE2 3.36Å; K480-E501 IonicContact NZ-OE1 2.86Å; K480-E501 PolarHBondContact NZ-OE1 3.07Å; K480-E501 IonicContact NZ-OE2 2.72Å; K480-E501 PolarHBondContact NZ-OE2 3.1Å
481V72Confident85.3Confident70 Ų7065.9 Ų65.942%0.42437%0.366SS..SBendtrans-131.498.9-176-1760000108.9S478S478-V481 CarbonylContact O-C 3.54Å; S478-V481 PolarHBondContact O-N 3.24Å; S478-V481 VanDerWaalsContact O-O 3.07Å
482S67.5Low84.9Confident120 Ų12069.4 Ų69.484%0.83938%0.384SS*.THydrogen-bonded Turntrans-71.2133.7-179.154.20000111.7
483G71.3Confident84.4Confident82 Ų8273.3 Ų73.385%0.84540%0.401SS*.THydrogen-bonded Turntrans83.85.1169.400000117
484T80.9Confident84.1Confident62 Ų6267.2 Ų67.238%0.3838%0.383SS..  trans-109.2121.4175.1-530000110.9T477 F486T477-T484 WeakPolarHBondContact CG2-O 3.38Å; T484-F486 HydrophobicContact CG2-CE1 4.06Å; T484-F486 HydrophobicContact CG2-CE2 3.89Å; T484-F486 HydrophobicContact CG2-CZ 3.63Å
485E89Confident83.6Confident87 Ų8766.9 Ų66.941%0.40738%0.381SS..  trans-95.4131.9174.3-67.4-166.5-154.400111.1T475 T477 L507 R509T475-E485 PolarHBondContact OG1-OE2 2.91Å; T477-E485 HydrophobicContact CG2-CG 3.79Å; E485-L507 HydrophobicContact CG-CD2 4.35Å; E485-L507 WeakPolarHBondContact OE1-CD2 3.45Å; E485-R509 IonicContact OE1-CZ 3.81Å; E485-R509 IonicContact OE1-NH1 3.87Å; E485-R509 IonicContact OE1-NH2 2.83Å; E485-R509 PolarHBondContact OE1-NH2 3.06Å; E485-R509 IonicContact OE2-CZ 3.43Å; E485-R509 IonicContact OE2-NH1 2.76Å; E485-R509 PolarHBondContact OE2-NH1 2.81Å; E485-R509 IonicContact OE2-NH2 3.18Å; E485-R509 PolarHBondContact OE2-NH2 3.39Å
486F88.4Confident83.1Confident75 Ų7572.2 Ų72.233%0.32940%0.404SS..EExtended strand (participates in β ladder)trans-110.8132.5176.6-62.1-82.3000110.6T475 Y476 T484T475-F486 CarbonylContact C-O 3.53Å; T475-F486 WeakPolarHBondContact CA-O 3.24Å; T475-F486 VanDerWaalsContact CB-O 3.29Å; T475-F486 WeakPolarHBondContact CB-O 3.24Å; Y476-F486 HydrophobicContact CD1-CB 3.71Å; Y476-F486 HydrophobicContact CE1-CB 3.27Å; Y476-F486 HydrophobicContact CE1-CD2 4.24Å; Y476-F486 HydrophobicContact CE1-CG 4.01Å; Y476-F486 HydrophobicContact CE2-CD2 4.2Å; Y476-F486 AromaticContact CZ-CD2 3.87Å; Y476-F486 AromaticContact CZ-CG 4Å; Y476-F486 PolarHBondContact N-O 3.01Å; Y476-F486 PolarHBondContact O-N 3.45Å; T484-F486 HydrophobicContact CG2-CE1 4.06Å; T484-F486 HydrophobicContact CG2-CE2 3.89Å; T484-F486 HydrophobicContact CG2-CZ 3.63Å
487P89.3Confident82.5Confident84 Ų8476.3 Ų76.355%0.54542%0.422SS..EExtended strand (participates in β ladder)trans-72.5139.2-179.929.2-33.8000112.6
488I89.8Confident82Confident8 Ų876 Ų764%0.04142%0.419CS..EExtended strand (participates in β ladder)trans-106.188.6167.6-57.9178.7000106.9V454 L474 Y476 Y498 V506V454-I488 HydrophobicContact CB-CG2 4.28Å; V454-I488 HydrophobicContact CG1-CG2 3.83Å; V454-I488 HydrophobicContact CG2-CG2 3.38Å; L474-I488 HydrophobicContact CB-CB 3.97Å; L474-I488 HydrophobicContact CB-CD1 4.24Å; L474-I488 HydrophobicContact CB-CG2 4.41Å; L474-I488 WeakPolarHBondContact O-CB 3.38Å; L474-I488 PolarHBondContact O-N 3.47Å; Y476-I488 HydrophobicContact CD1-CD1 4.17Å; Y476-I488 HydrophobicContact CD1-CG1 3.96Å; I488-Y498 HydrophobicContact CG1-CG 4.47Å; I488-Y498 HydrophobicContact CG2-CD2 4.05Å; I488-Y498 HydrophobicContact CG2-CE1 4.5Å; I488-Y498 HydrophobicContact CG2-CE2 3.7Å; I488-V506 HydrophobicContact CD1-CG1 4.38Å; I488-V506 HydrophobicContact CD1-CG2 4.44Å
489D86.1Confident82.1Confident127 Ų12779 Ų7968%0.67944%0.439SS*.  trans-100.2-14.4-162.261.3-6.6000115.1Y498D489-Y498 PolarHBondContact OD1-OH 3.46Å
490S87.4Confident82.3Confident37 Ų3774.1 Ų74.126%0.25942%0.417SS..  trans-120.8120.6179.5164.10000113.1L492 K493 Y498S490-L492 VanDerWaalsContact C-N 3.27Å; S490-L492 PolarHBondContact O-N 3.2Å; S490-L492 PolarHBondContact OG-N 2.88Å; S490-K493 PolarHBondContact O-N 3.04Å; S490-K493 WeakPolarHBondContact OG-CG 3.46Å; S490-Y498 VanDerWaalsContact CA-OH 3.29Å; S490-Y498 WeakPolarHBondContact CA-OH 3.42Å; S490-Y498 VanDerWaalsContact CB-OH 3.28Å; S490-Y498 WeakPolarHBondContact CB-OH 3.48Å; S490-Y498 PolarHBondContact N-OH 2.87Å; S490-Y498 PolarHBondContact O-OH 3.23Å
491D86.5Confident82.8Confident60 Ų6071.7 Ų71.732%0.32141%0.408SS..THydrogen-bonded Turntrans-65.6-24.7179.1-78.83.1000113.8V453 Q455 K458V453-D491 WeakPolarHBondContact CG1-O 3.48Å; Q455-D491 HydrophobicContact CB-CB 4.28Å; Q455-D491 WeakPolarHBondContact CB-O 3.35Å; Q455-D491 PolarHBondContact N-O 2.71Å; K458-D491 WeakPolarHBondContact CD-OD1 3.33Å; K458-D491 VanDerWaalsContact CE-OD1 3.27Å; K458-D491 WeakPolarHBondContact CE-OD1 3.39Å; K458-D491 IonicContact NZ-OD1 2.71Å; K458-D491 PolarHBondContact NZ-OD1 3.02Å; K458-D491 IonicContact NZ-OD2 2.73Å
492L82.7Confident83.5Confident137 Ų13772.2 Ų72.272%0.71741%0.408SS*.THydrogen-bonded Turntrans-88.5-4.8-177.6-61.3179.2000113.9S490S490-L492 VanDerWaalsContact C-N 3.27Å; S490-L492 PolarHBondContact O-N 3.2Å; S490-L492 PolarHBondContact OG-N 2.88Å
493K81.4Confident84.3Confident85 Ų8568.3 Ų68.337%0.3739%0.387SS..SBendtrans-92.7158.1179.9-64.8-68.1-171.5170.60110.7V453 V454 S490 F497 Y498V453-K493 WeakPolarHBondContact CA-O 2.93Å; V454-K493 WeakPolarHBondContact CG2-O 3.5Å; V454-K493 PolarHBondContact N-O 3.09Å; S490-K493 PolarHBondContact O-N 3.04Å; S490-K493 WeakPolarHBondContact OG-CG 3.46Å; K493-F497 HydrophobicContact CB-CB 4.16Å; K493-F497 HydrophobicContact CB-CD1 3.62Å; K493-F497 HydrophobicContact CB-CE1 4.26Å; K493-F497 HydrophobicContact CB-CG 4Å; K493-F497 HydrophobicContact CD-CB 4.43Å; K493-F497 HydrophobicContact CD-CD1 3.73Å; K493-F497 HydrophobicContact CD-CD2 3.83Å; K493-F497 HydrophobicContact CD-CE1 3.85Å; K493-F497 HydrophobicContact CD-CE2 3.96Å; K493-F497 HydrophobicContact CD-CG 3.72Å; K493-F497 HydrophobicContact CD-CZ 3.97Å; K493-F497 HydrophobicContact CG-CD1 3.63Å; K493-F497 HydrophobicContact CG-CE1 3.78Å; K493-F497 HydrophobicContact CG-CG 4.08Å; K493-F497 HydrophobicContact CG-CZ 4.36Å; K493-Y498 HydrophobicContact CB-CD2 4.49Å; K493-Y498 HydrophobicContact CB-CE2 3.55Å
494T87.4Confident85.2Confident40 Ų4064.5 Ų64.525%0.24535%0.347CS..BIsolated β-bridgetrans-91.8162.317859.10000111S451 M452 V453 H496 F497 Y498S451-T494 VanDerWaalsContact O-CG2 3.24Å; S451-T494 WeakPolarHBondContact O-CG2 3.36Å; M452-T494 WeakPolarHBondContact O-CA 3.16Å; V453-T494 HydrophobicContact CG2-CG2 4.03Å; T494-H496 PolarHBondContact O-N 3.42Å; T494-F497 WeakPolarHBondContact O-CB 3.3Å; T494-F497 PolarHBondContact O-N 2.89Å; T494-F497 VanDerWaalsContact O-N 3.09Å; T494-F497 PolarHBondContact OG1-N 3.05Å; T494-Y498 WeakPolarHBondContact O-CD2 3.4Å
495L83.7Confident85.7Confident2 Ų265.8 Ų65.81%0.0135%0.349CS..G310 helixtrans-56.4-36.8171-71.8163.2000112.4I429 I431 A450 M452 I457 F497 Y498 S499 V500I429-L495 HydrophobicContact CD1-CD1 4.37Å; I431-L495 HydrophobicContact CD1-CD1 3.42Å; I431-L495 VanDerWaalsContact CD1-CD1 3.42Å; I431-L495 HydrophobicContact CD1-CD2 3.99Å; I431-L495 HydrophobicContact CD1-CG 4.29Å; A450-L495 WeakPolarHBondContact O-CB 3.43Å; A450-L495 PolarHBondContact O-N 2.8Å; M452-L495 HydrophobicContact CB-CD1 4.43Å; M452-L495 PolarHBondContact O-N 2.82Å; M452-L495 VanDerWaalsContact O-N 3.16Å; I457-L495 HydrophobicContact CD1-CD1 3.44Å; I457-L495 VanDerWaalsContact CD1-CD1 3.44Å; I457-L495 HydrophobicContact CD1-CD2 3.56Å; I457-L495 HydrophobicContact CD1-CG 3.4Å; L495-F497 VanDerWaalsContact C-N 3.3Å; L495-F497 PolarHBondContact O-N 2.96Å; L495-Y498 CarbonylContact O-C 3.36Å; L495-Y498 PolarHBondContact O-N 3.45Å; L495-Y498 VanDerWaalsContact O-N 3.13Å; L495-S499 PolarHBondContact O-N 3.3Å; L495-V500 HydrophobicContact CB-CB 4.21Å; L495-V500 HydrophobicContact CD2-CB 4.15Å; L495-V500 HydrophobicContact CD2-CG1 4.27Å; L495-V500 HydrophobicContact CD2-CG2 3.97Å; L495-V500 PolarHBondContact O-N 2.72Å; L495-V500 VanDerWaalsContact O-N 3.13Å
496H81.9Confident85.9Confident137 Ų13761.7 Ų61.763%0.63433%0.33SS*.G310 helixtrans-61.5-35.2175.7-173.263.7000113.1A450 T494 Y498 S499A450-H496 HydrophobicContact CB-CB 4.4Å; A450-H496 WeakPolarHBondContact O-CB 3.5Å; A450-H496 PolarHBondContact O-N 3.45Å; T494-H496 PolarHBondContact O-N 3.42Å; H496-Y498 PolarHBondContact O-N 2.95Å; H496-S499 PolarHBondContact O-N 2.84Å
497F80.6Confident86.2Confident108 Ų10858.9 Ų58.947%0.47432%0.318SS..G310 helixtrans-62.7-33.7175.8172.5-94.4000112.2K493 T494 L495 S499K493-F497 HydrophobicContact CB-CB 4.16Å; K493-F497 HydrophobicContact CB-CD1 3.62Å; K493-F497 HydrophobicContact CB-CE1 4.26Å; K493-F497 HydrophobicContact CB-CG 4Å; K493-F497 HydrophobicContact CD-CB 4.43Å; K493-F497 HydrophobicContact CD-CD1 3.73Å; K493-F497 HydrophobicContact CD-CD2 3.83Å; K493-F497 HydrophobicContact CD-CE1 3.85Å; K493-F497 HydrophobicContact CD-CE2 3.96Å; K493-F497 HydrophobicContact CD-CG 3.72Å; K493-F497 HydrophobicContact CD-CZ 3.97Å; K493-F497 HydrophobicContact CG-CD1 3.63Å; K493-F497 HydrophobicContact CG-CE1 3.78Å; K493-F497 HydrophobicContact CG-CG 4.08Å; K493-F497 HydrophobicContact CG-CZ 4.36Å; T494-F497 WeakPolarHBondContact O-CB 3.3Å; T494-F497 PolarHBondContact O-N 2.89Å; T494-F497 VanDerWaalsContact O-N 3.09Å; T494-F497 PolarHBondContact OG1-N 3.05Å; L495-F497 VanDerWaalsContact C-N 3.3Å; L495-F497 PolarHBondContact O-N 2.96Å; F497-S499 VanDerWaalsContact C-N 3.27Å
498Y79.6Confident86.4Confident21 Ų2154.9 Ų54.98%0.08229%0.292CS..G310 helixtrans-88.911.1174.8-58.4-79.2000112.6V454 Y476 I488 D489 S490 K493 T494 L495 H496 V500V454-Y498 HydrophobicContact CG2-CD2 4.37Å; V454-Y498 HydrophobicContact CG2-CE2 3.75Å; Y476-Y498 WeakPolarHBondContact CE1-O 3.49Å; Y476-Y498 PolarHBondContact OH-O 2.8Å; I488-Y498 HydrophobicContact CG1-CG 4.47Å; I488-Y498 HydrophobicContact CG2-CD2 4.05Å; I488-Y498 HydrophobicContact CG2-CE1 4.5Å; I488-Y498 HydrophobicContact CG2-CE2 3.7Å; D489-Y498 PolarHBondContact OD1-OH 3.46Å; S490-Y498 VanDerWaalsContact CA-OH 3.29Å; S490-Y498 WeakPolarHBondContact CA-OH 3.42Å; S490-Y498 VanDerWaalsContact CB-OH 3.28Å; S490-Y498 WeakPolarHBondContact CB-OH 3.48Å; S490-Y498 PolarHBondContact N-OH 2.87Å; S490-Y498 PolarHBondContact O-OH 3.23Å; K493-Y498 HydrophobicContact CB-CD2 4.49Å; K493-Y498 HydrophobicContact CB-CE2 3.55Å; T494-Y498 WeakPolarHBondContact O-CD2 3.4Å; L495-Y498 CarbonylContact O-C 3.36Å; L495-Y498 PolarHBondContact O-N 3.45Å; L495-Y498 VanDerWaalsContact O-N 3.13Å; H496-Y498 PolarHBondContact O-N 2.95Å; Y498-V500 PolarHBondContact O-N 3.02Å; Y498-V500 VanDerWaalsContact O-N 3.14Å
499S85.5Confident86.5Confident80 Ų8057.3 Ų57.356%0.55930%0.301SS*.THydrogen-bonded Turntrans53.633.6-179.1-54.50000114.1L495 H496 F497L495-S499 PolarHBondContact O-N 3.3Å; H496-S499 PolarHBondContact O-N 2.84Å; F497-S499 VanDerWaalsContact C-N 3.27Å
500V83.6Confident86.7Confident6 Ų654.9 Ų54.94%0.03628%0.282CS..  trans-74.3127.3174.4-177.50000109.3I429 I431 Y476 L495 Y498 D504I429-V500 HydrophobicContact CD1-CG1 4.24Å; I431-V500 HydrophobicContact CD1-CG1 4.07Å; I431-V500 HydrophobicContact CG1-CG1 4.4Å; Y476-V500 HydrophobicContact CD1-CG2 4Å; Y476-V500 HydrophobicContact CD2-CG2 3.9Å; Y476-V500 HydrophobicContact CE1-CG2 4.21Å; Y476-V500 HydrophobicContact CE2-CG2 4.13Å; Y476-V500 HydrophobicContact CG-CG2 3.86Å; L495-V500 HydrophobicContact CB-CB 4.21Å; L495-V500 HydrophobicContact CD2-CB 4.15Å; L495-V500 HydrophobicContact CD2-CG1 4.27Å; L495-V500 HydrophobicContact CD2-CG2 3.97Å; L495-V500 PolarHBondContact O-N 2.72Å; L495-V500 VanDerWaalsContact O-N 3.13Å; Y498-V500 PolarHBondContact O-N 3.02Å; Y498-V500 VanDerWaalsContact O-N 3.14Å; V500-D504 HydrophobicContact CG1-CB 3.96Å
501E84.3Confident86.1Confident77 Ų7758.9 Ų58.936%0.3631%0.31SS..  trans-111174.8-175.6-63.8-173.3-168.300113.3H479 K480 G503 D504H479-E501 IonicContact CE1-OE2 2.85Å; K480-E501 WeakPolarHBondContact CE-OE2 3.36Å; K480-E501 IonicContact NZ-OE1 2.86Å; K480-E501 PolarHBondContact NZ-OE1 3.07Å; K480-E501 IonicContact NZ-OE2 2.72Å; K480-E501 PolarHBondContact NZ-OE2 3.1Å; E501-G503 PolarHBondContact O-N 3.2Å; E501-D504 PolarHBondContact N-OD2 2.93Å; E501-D504 WeakPolarHBondContact O-CB 3.23Å; E501-D504 PolarHBondContact O-N 3.38Å
502D86.9Confident86Confident82 Ų8258.9 Ų58.944%0.43931%0.31SS..THydrogen-bonded Turntrans-62.5128.4172.7-172.260.2000110.8I429 N430 H479I429-D502 HydrophobicContact CB-CB 4.26Å; I429-D502 HydrophobicContact CG2-CB 4.08Å; N430-D502 VanDerWaalsContact CB-OD1 3.31Å; N430-D502 WeakPolarHBondContact CB-OD1 3.37Å; N430-D502 PolarHBondContact N-OD1 2.94Å; N430-D502 PolarHBondContact ND2-OD1 2.64Å; H479-D502 PolarHBondContact CE1-O 3.25Å
503G84.1Confident86.2Confident38 Ų3854.7 Ų54.739%0.39229%0.288SS..THydrogen-bonded Turntrans89.3-3.7-179.400000114.9N430 E501N430-G503 PolarHBondContact O-N 3.49Å; E501-G503 PolarHBondContact O-N 3.2Å
504D89.8Confident86.5Confident1 Ų153.1 Ų53.11%0.00528%0.284CS..  trans-70.1154173.8-73.7-10000112.3T432 S478 H479 V500 E501T432-D504 PolarHBondContact N-O 2.97Å; S478-D504 VanDerWaalsContact CA-OD1 3.27Å; S478-D504 WeakPolarHBondContact CA-OD1 3.47Å; S478-D504 PolarHBondContact OG-OD1 3.23Å; H479-D504 IonicContact CE1-OD1 3.55Å; H479-D504 IonicContact CG-OD1 2.61Å; H479-D504 PolarHBondContact N-OD1 2.88Å; H479-D504 IonicContact ND1-OD1 3.93Å; H479-D504 PolarHBondContact ND1-OD1 3.36Å; V500-D504 HydrophobicContact CG1-CB 3.96Å; E501-D504 PolarHBondContact N-OD2 2.93Å; E501-D504 WeakPolarHBondContact O-CB 3.23Å; E501-D504 PolarHBondContact O-N 3.38Å
505Q92Very high86.4Confident89 Ų8953.8 Ų53.842%0.41629%0.286SS..EExtended strand (participates in β ladder)trans-106.7128.9178.9-60.8-176.5-12.100110.4T432 V434 Y476 T477T432-Q505 CarbonylContact O-C 3.41Å; T432-Q505 VanDerWaalsContact O-CA 3.3Å; T432-Q505 WeakPolarHBondContact O-CA 3.32Å; V434-Q505 HydrophobicContact CG2-CB 4.11Å; V434-Q505 HydrophobicContact CG2-CG 4.29Å; Y476-Q505 CarbonylContact C-O 3.52Å; Y476-Q505 WeakPolarHBondContact CA-O 3.43Å; Y476-Q505 WeakPolarHBondContact CB-O 3.5Å; T477-Q505 PolarHBondContact N-O 2.89Å; T477-Q505 PolarHBondContact O-N 3.11Å
506V93.7Very high86.6Confident2 Ų257.1 Ų57.11%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-100.9117.1172.5173.70000108.1I431 T432 F433 V434 L474 T475 I488 V508I431-V506 HydrophobicContact CG2-CB 3.95Å; I431-V506 HydrophobicContact CG2-CG2 3.52Å; T432-V506 PolarHBondContact O-N 3.02Å; F433-V506 CarbonylContact C-O 3.48Å; F433-V506 VanDerWaalsContact CA-O 3.27Å; F433-V506 WeakPolarHBondContact CA-O 3.43Å; F433-V506 HydrophobicContact CD1-CB 3.74Å; F433-V506 HydrophobicContact CD1-CG1 3.8Å; F433-V506 HydrophobicContact CE1-CB 3.88Å; F433-V506 HydrophobicContact CE1-CG1 3.83Å; F433-V506 HydrophobicContact CE1-CG2 4.41Å; V434-V506 PolarHBondContact N-O 3.22Å; L474-V506 HydrophobicContact CB-CG1 4.38Å; L474-V506 HydrophobicContact CD2-CG1 4.21Å; T475-V506 CarbonylContact O-C 3.44Å; T475-V506 WeakPolarHBondContact O-CA 3.27Å; I488-V506 HydrophobicContact CD1-CG1 4.38Å; I488-V506 HydrophobicContact CD1-CG2 4.44Å; V506-V508 HydrophobicContact CG1-CG2 4.36Å
507L93.6Very high86.9Confident15 Ų1551.7 Ų51.78%0.07928%0.281CS..EExtended strand (participates in β ladder)trans-87124.4178.5-57.284.4000108.1V434 P436 L474 T475 T477 E485V434-L507 WeakPolarHBondContact O-CA 3.15Å; P436-L507 HydrophobicContact CG-CB 3.95Å; P436-L507 HydrophobicContact CG-CD2 3.63Å; P436-L507 HydrophobicContact CG-CG 4.18Å; L474-L507 WeakPolarHBondContact CA-O 3.32Å; T475-L507 PolarHBondContact N-O 2.87Å; T475-L507 PolarHBondContact O-N 2.9Å; T475-L507 WeakPolarHBondContact OG1-CB 3.2Å; T477-L507 HydrophobicContact CG2-CD1 3.63Å; E485-L507 HydrophobicContact CG-CD2 4.35Å; E485-L507 WeakPolarHBondContact OE1-CD2 3.45Å
508V93.9Very high87.4Confident0 Ų047.7 Ų47.70%027%0.267CS..EExtended strand (participates in β ladder)trans-110.8117.5-175.8-173.60000108.1F433 V434 F435 L461 L465 L472 L474 V506 W510F433-V508 HydrophobicContact CB-CG2 4.11Å; F433-V508 HydrophobicContact CD1-CG2 3.72Å; F433-V508 HydrophobicContact CG-CG2 4.34Å; V434-V508 PolarHBondContact O-N 3.33Å; F435-V508 HydrophobicContact CD1-CB 3.81Å; F435-V508 HydrophobicContact CD1-CG1 4.41Å; F435-V508 HydrophobicContact CD1-CG2 4.44Å; F435-V508 HydrophobicContact CE1-CB 3.81Å; F435-V508 HydrophobicContact CE1-CG1 4.25Å; F435-V508 HydrophobicContact CE1-CG2 4.05Å; L461-V508 HydrophobicContact CD1-CG1 4.12Å; L461-V508 HydrophobicContact CD1-CG2 3.9Å; L461-V508 HydrophobicContact CD2-CG2 4.23Å; L465-V508 HydrophobicContact CD1-CG1 4.14Å; L472-V508 HydrophobicContact CD2-CG1 3.83Å; L474-V508 HydrophobicContact CD2-CB 4.12Å; L474-V508 HydrophobicContact CD2-CG1 3.88Å; L474-V508 HydrophobicContact CD2-CG2 3.77Å; V506-V508 HydrophobicContact CG1-CG2 4.36Å; V508-W510 HydrophobicContact CG1-CE3 4.39Å
509R92.8Very high88Confident59 Ų5949.8 Ų49.822%0.22328%0.282CS..EExtended strand (participates in β ladder)trans-118.7155.4175.4-59.7-173.6176.691.1-5.9109.6D437 R473 T475 E485D437-R509 WeakPolarHBondContact OD2-CD 3.41Å; D437-R509 VanDerWaalsContact OD2-CG 3.27Å; D437-R509 WeakPolarHBondContact OD2-CG 3.4Å; D437-R509 IonicContact OD2-NE 3.92Å; R473-R509 HydrophobicContact CB-CB 4.45Å; R473-R509 PolarHBondContact N-O 3.43Å; R473-R509 PolarHBondContact O-N 2.95Å; T475-R509 PolarHBondContact OG1-NH1 2.81Å; T475-R509 VanDerWaalsContact OG1-NH1 3.09Å; E485-R509 IonicContact OE1-CZ 3.81Å; E485-R509 IonicContact OE1-NH1 3.87Å; E485-R509 IonicContact OE1-NH2 2.83Å; E485-R509 PolarHBondContact OE1-NH2 3.06Å; E485-R509 IonicContact OE2-CZ 3.43Å; E485-R509 IonicContact OE2-NH1 2.76Å; E485-R509 PolarHBondContact OE2-NH1 2.81Å; E485-R509 IonicContact OE2-NH2 3.18Å; E485-R509 PolarHBondContact OE2-NH2 3.39Å
510W90Very high88.2Confident76 Ų7647.3 Ų47.329%0.28826%0.258SS..EExtended strand (participates in β ladder)trans-146.8153.5175.658.391.8000111.2F435 D438 I467 D471 L472 V508F435-W510 HydrophobicContact CB-CH2 4.33Å; F435-W510 HydrophobicContact CB-CZ3 4.35Å; F435-W510 HydrophobicContact CD1-CH2 4.27Å; F435-W510 AromaticContact CD1-CZ3 3.77Å; F435-W510 HydrophobicContact CD1-CZ3 3.77Å; F435-W510 HydrophobicContact CG-CZ3 4.42Å; D438-W510 HydrophobicContact CB-CH2 3.63Å; D438-W510 HydrophobicContact CB-CZ2 3.97Å; I467-W510 HydrophobicContact CD1-CB 4.33Å; I467-W510 HydrophobicContact CD1-CD2 3.33Å; I467-W510 HydrophobicContact CD1-CE3 3.71Å; I467-W510 HydrophobicContact CD1-CG 3.62Å; I467-W510 HydrophobicContact CD1-CH2 4.35Å; I467-W510 HydrophobicContact CD1-CZ2 4.02Å; I467-W510 HydrophobicContact CD1-CZ3 4.21Å; I467-W510 HydrophobicContact CG2-CB 3.92Å; I467-W510 HydrophobicContact CG2-CG 4.19Å; D471-W510 VanDerWaalsContact O-CA 3.23Å; D471-W510 WeakPolarHBondContact O-CA 3.23Å; L472-W510 HydrophobicContact CD2-CB 4.36Å; V508-W510 HydrophobicContact CG1-CE3 4.39Å
511S73.3Confident88.6Confident122 Ų12251 Ų5185%0.85328%0.279SS*.  trans-130.50-178.958.30000111.2

Retrieved 511 of 511 residues in 712.6 ms (Link to these results)

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