A0A077ZDQ0_TRITR Loading...

Fer4 12 and Radical SAM domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZDQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 298 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.8Very low55.1Low238 Ų238129.8 Ų129.8100%1.17267%0.667SS**  01080-79.2174.7175.500106.9Q3M1-Q3 PolarHBondContact O-N 2.82Å
2L37.5Very low58.4Low175 Ų175119.6 Ų119.692%0.91662%0.615SS**  trans-61.3108.4162.7-78.6156.8000104.8Q4L2-Q4 PolarHBondContact O-N 3.28Å
3Q33.1Very low61.4Low179 Ų179111.7 Ų111.784%0.83657%0.574SS**  trans-52116166.3-81.4175.2-23.100105.3M1 V5M1-Q3 PolarHBondContact O-N 2.82Å; Q3-V5 VanDerWaalsContact C-N 3.29Å; Q3-V5 PolarHBondContact O-N 3.35Å
4Q36.8Very low64Low188 Ų188103.7 Ų103.788%0.87953%0.533SS*.  trans-57.5103.1170.7-76.7-178.6-14.600105.6L2 P6L2-Q4 PolarHBondContact O-N 3.28Å; Q4-P6 VanDerWaalsContact O-CD 3.31Å; Q4-P6 WeakPolarHBondContact O-CD 3.36Å; Q4-P6 VanDerWaalsContact O-N 3.15Å
5V40.2Very low66.2Low124 Ų12497.1 Ų97.175%0.75250%0.499SS*.  trans-57.2119.2165.8178.20000103.9Q3 T7Q3-V5 VanDerWaalsContact C-N 3.29Å; Q3-V5 PolarHBondContact O-N 3.35Å; V5-T7 PolarHBondContact O-N 3.45Å
6P46.4Very low68.2Low98 Ų9891.1 Ų91.164%0.63647%0.468SS*.  trans-51.3121.4177.7-22.430.8000107.9Q4 R8Q4-P6 VanDerWaalsContact O-CD 3.31Å; Q4-P6 WeakPolarHBondContact O-CD 3.36Å; Q4-P6 VanDerWaalsContact O-N 3.15Å; P6-R8 VanDerWaalsContact C-N 3.27Å; P6-R8 PolarHBondContact O-N 3.34Å
7T53.9Low69.8Low80 Ų8085.8 Ų85.849%0.49144%0.441SS..  trans-65.193178.321.50000107.3V5 A9 E62V5-T7 PolarHBondContact O-N 3.45Å; T7-A9 PolarHBondContact O-N 3.1Å; T7-E62 PolarHBondContact N-OE1 3.13Å; T7-E62 VanDerWaalsContact N-OE1 3.14Å; T7-E62 VanDerWaalsContact O-OE1 3.06Å; T7-E62 WeakPolarHBondContact OG1-CG 3.41Å; T7-E62 PolarHBondContact OG1-OE1 2.93Å
8R65.2Low71.2Confident172 Ų17281.1 Ų81.165%0.64942%0.417SS*.  trans-53128.8174.4-77.6174.4166.1-172.9-0.8107.7P6 F10 R284P6-R8 VanDerWaalsContact C-N 3.27Å; P6-R8 PolarHBondContact O-N 3.34Å; R8-F10 PolarHBondContact O-N 3.23Å; R8-R284 VanDerWaalsContact NH1-NH2 3.13Å
9A79.9Confident72.4Confident59 Ų5977.5 Ų77.549%0.48840%0.4SS..  trans-48.7133.4178.800000110.4T7T7-A9 PolarHBondContact O-N 3.1Å
10F88.2Confident73.5Confident67 Ų6776 Ų7629%0.29439%0.392SS..  trans-129155.1177.270.2-82.3000109.3R8 V12 Y57 A60 R284 V286R8-F10 PolarHBondContact O-N 3.23Å; F10-V12 HydrophobicContact CD2-CG2 3.76Å; F10-V12 HydrophobicContact CE2-CG2 3.45Å; F10-V12 VanDerWaalsContact CE2-CG2 3.45Å; F10-Y57 HydrophobicContact CD2-CE2 4.14Å; F10-Y57 AromaticContact CE2-CD2 3.82Å; F10-Y57 HydrophobicContact CE2-CD2 3.82Å; F10-Y57 AromaticContact CE2-CE2 3.63Å; F10-Y57 HydrophobicContact CE2-CE2 3.63Å; F10-Y57 AromaticContact CZ-CD2 3.96Å; F10-Y57 HydrophobicContact CZ-CD2 3.96Å; F10-Y57 AromaticContact CZ-CE2 3.94Å; F10-Y57 HydrophobicContact CZ-CE2 3.94Å; F10-Y57 PolarHBondContact O-OH 2.84Å; F10-A60 HydrophobicContact CE1-CB 4.41Å; F10-A60 HydrophobicContact CZ-CB 3.96Å; F10-R284 WeakPolarHBondContact CA-O 3.41Å; F10-V286 HydrophobicContact CD2-CG2 4.36Å
11H90.3Very high74.6Confident48 Ų4873 Ų7322%0.22238%0.378CS..EExtended strand (participates in β ladder)trans-108.8140.8-178.7170-110.2000109Y57 A68 T70 R284 S285 V286H11-Y57 WeakPolarHBondContact CA-OH 3.38Å; H11-A68 PolarHBondContact CD2-O 3.47Å; H11-A68 VanDerWaalsContact CD2-O 3.29Å; H11-T70 PolarHBondContact CE1-OG1 3.27Å; H11-T70 VanDerWaalsContact CE1-OG1 3.32Å; H11-T70 VanDerWaalsContact NE2-CB 3.31Å; H11-T70 WeakPolarHBondContact NE2-CB 3.35Å; H11-T70 PolarHBondContact NE2-OG1 3.31Å; H11-R284 PolarHBondContact N-O 3.25Å; H11-S285 PolarHBondContact ND1-OG 3.32Å; H11-S285 WeakPolarHBondContact O-CA 3.29Å; H11-V286 PolarHBondContact O-N 3.29Å
12V94.9Very high77.6Confident7 Ų763.4 Ų63.44%0.04233%0.331CS..EExtended strand (participates in β ladder)trans-119.8124.9173.1-171.60000110.4F10 Y53 Y57 T70 V286 V288F10-V12 HydrophobicContact CD2-CG2 3.76Å; F10-V12 HydrophobicContact CE2-CG2 3.45Å; F10-V12 VanDerWaalsContact CE2-CG2 3.45Å; V12-Y53 HydrophobicContact CB-CE2 4.01Å; V12-Y53 HydrophobicContact CG1-CD2 4.43Å; V12-Y53 HydrophobicContact CG1-CE2 3.44Å; V12-Y53 VanDerWaalsContact CG1-CE2 3.44Å; V12-Y53 PolarHBondContact O-OH 3.27Å; V12-Y57 HydrophobicContact CB-CD1 3.97Å; V12-Y57 HydrophobicContact CB-CD2 4.24Å; V12-Y57 HydrophobicContact CB-CE1 3.81Å; V12-Y57 HydrophobicContact CB-CE2 4.12Å; V12-Y57 HydrophobicContact CB-CG 4.19Å; V12-Y57 HydrophobicContact CG2-CD1 4.15Å; V12-Y57 HydrophobicContact CG2-CD2 3.5Å; V12-Y57 VanDerWaalsContact CG2-CD2 3.5Å; V12-Y57 HydrophobicContact CG2-CE1 4.06Å; V12-Y57 HydrophobicContact CG2-CE2 3.43Å; V12-Y57 VanDerWaalsContact CG2-CE2 3.43Å; V12-Y57 HydrophobicContact CG2-CG 3.9Å; V12-Y57 PolarHBondContact N-OH 3.23Å; V12-T70 PolarHBondContact O-N 3.48Å; V12-V286 CarbonylContact C-O 3.35Å; V12-V286 VanDerWaalsContact CA-O 3.3Å; V12-V286 WeakPolarHBondContact CA-O 3.36Å; V12-V286 HydrophobicContact CG2-CB 4.41Å; V12-V288 HydrophobicContact CG1-CB 4.21Å; V12-V288 HydrophobicContact CG1-CG2 3.43Å; V12-V288 VanDerWaalsContact CG1-CG2 3.43Å
13M96.8Very high80.4Confident17 Ų1755.1 Ų55.18%0.08429%0.288CS..EExtended strand (participates in β ladder)trans-103.4120.5172177.7-171.3-60.200109.4T70 Q72 V286 I287 V288M13-T70 CarbonylContact C-O 3.54Å; M13-T70 WeakPolarHBondContact CA-O 3.44Å; M13-T70 HydrophobicContact CB-CG2 4.46Å; M13-T70 HydrophobicContact CE-CG2 4.23Å; M13-T70 HydrophobicContact CG-CG2 4.02Å; M13-Q72 HydrophobicContact CE-CG 4.09Å; M13-Q72 HydrophobicContact CG-CB 4.12Å; M13-Q72 HydrophobicContact CG-CG 3.82Å; M13-Q72 HydrophobicContact SD-CB 3.92Å; M13-Q72 HydrophobicContact SD-CG 3.57Å; M13-Q72 VanDerWaalsContact SD-CG 3.57Å; M13-Q72 PolarHBondContact SD-OE1 3.28Å; M13-V286 PolarHBondContact N-O 2.99Å; M13-I287 HydrophobicContact CB-CD1 3.76Å; M13-I287 HydrophobicContact CG-CD1 4.21Å; M13-I287 CarbonylContact O-C 3.59Å; M13-I287 VanDerWaalsContact O-CA 3.3Å; M13-I287 WeakPolarHBondContact O-CA 3.24Å; M13-I287 HydrophobicContact SD-CD1 3.82Å; M13-V288 PolarHBondContact O-N 3.25Å
14A98Very high83.5Confident0 Ų050.3 Ų50.30%027%0.268CS..EExtended strand (participates in β ladder)trans-91.8142173.600000110.9P16 M45 Y53 T70 W71 Q72 V288A14-P16 WeakPolarHBondContact O-CD 3.28Å; A14-M45 HydrophobicContact CB-CE 4.34Å; A14-Y53 HydrophobicContact CB-CD1 4.25Å; A14-Y53 HydrophobicContact CB-CE1 3.59Å; A14-T70 PolarHBondContact N-O 2.95Å; A14-W71 HydrophobicContact CB-CE3 3.88Å; A14-W71 HydrophobicContact CB-CZ3 3.94Å; A14-Q72 PolarHBondContact O-N 2.78Å; A14-V288 CarbonylContact C-O 3.46Å; A14-V288 WeakPolarHBondContact CA-O 3.28Å
15K97.4Very high86.4Confident5 Ų542 Ų422%0.02223%0.23CC..EExtended strand (participates in β ladder)trans-113.169.5172.3-62.8-165.3-175.4174.30109.6S17 G18 Y30 I287 V288 H290 D298K15-S17 VanDerWaalsContact C-N 3.26Å; K15-S17 PolarHBondContact O-N 3.07Å; K15-G18 PolarHBondContact O-N 2.73Å; K15-Y30 HydrophobicContact CD-CD2 4.49Å; K15-Y30 HydrophobicContact CD-CE1 3.94Å; K15-Y30 HydrophobicContact CD-CE2 3.6Å; K15-Y30 WeakPolarHBondContact CD-OH 3.3Å; K15-Y30 VanDerWaalsContact NZ-CD2 3.28Å; K15-I287 HydrophobicContact CD-CG2 3.98Å; K15-I287 HydrophobicContact CG-CG2 3.98Å; K15-V288 PolarHBondContact N-O 3.44Å; K15-H290 WeakPolarHBondContact O-CB 3.19Å; K15-H290 PolarHBondContact O-N 3.11Å; K15-D298 WeakPolarHBondContact CE-OD1 3.25Å; K15-D298 IonicContact NZ-OD1 3.94Å; K15-D298 PolarHBondContact NZ-OD1 2.93Å
16P97.5Very high88.9Confident0 Ų040 Ų400%022%0.215CC..THydrogen-bonded Turntrans-69.3-23.3-166.932-40.8000113.1A14 G18 H44 M45 W71 Q72 L79 F83A14-P16 WeakPolarHBondContact O-CD 3.28Å; P16-G18 VanDerWaalsContact C-N 3.29Å; P16-H44 CarbonylContact O-C 3.44Å; P16-H44 WeakPolarHBondContact O-CA 3.36Å; P16-M45 HydrophobicContact CB-CB 3.92Å; P16-M45 HydrophobicContact CB-CE 4.43Å; P16-M45 HydrophobicContact CB-SD 4.34Å; P16-M45 PolarHBondContact O-N 2.78Å; P16-W71 HydrophobicContact CG-CE3 4.13Å; P16-Q72 WeakPolarHBondContact CD-O 3.14Å; P16-L79 HydrophobicContact CB-CD1 3.59Å; P16-L79 HydrophobicContact CG-CD1 4Å; P16-F83 HydrophobicContact CB-CE1 3.74Å; P16-F83 HydrophobicContact CB-CE2 4.41Å; P16-F83 HydrophobicContact CB-CZ 3.51Å; P16-F83 HydrophobicContact CG-CE1 4.07Å; P16-F83 HydrophobicContact CG-CZ 4.35Å
17S96.1Very high91.3Very high1 Ų135.9 Ų35.91%0.00719%0.187CC..THydrogen-bonded Turntrans-90.18.8174.177.80000113.6K15 S19 D20 T43 G73 E75K15-S17 VanDerWaalsContact C-N 3.26Å; K15-S17 PolarHBondContact O-N 3.07Å; S17-S19 PolarHBondContact O-N 3.46Å; S17-D20 WeakPolarHBondContact O-CB 3.32Å; S17-D20 PolarHBondContact O-N 3.38Å; S17-D20 VanDerWaalsContact O-N 3.13Å; S17-D20 PolarHBondContact OG-O 3.13Å; S17-T43 CarbonylContact C-O 3.55Å; S17-T43 VanDerWaalsContact C-O 3.3Å; S17-T43 VanDerWaalsContact O-O 3.1Å; S17-G73 PolarHBondContact OG-O 2.85Å; S17-E75 PolarHBondContact OG-N 2.79Å; S17-E75 PolarHBondContact OG-O 2.96Å
18G94.9Very high93.2Very high1 Ų134 Ų341%0.0118%0.177CC..THydrogen-bonded Turntrans50.7-139.8-168.700000109.9K15 P16 D20 Y30 G73 G74 H290K15-G18 PolarHBondContact O-N 2.73Å; P16-G18 VanDerWaalsContact C-N 3.29Å; G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.38Å; G18-Y30 VanDerWaalsContact C-OH 3.22Å; G18-Y30 WeakPolarHBondContact O-CE1 3.21Å; G18-Y30 PolarHBondContact O-OH 3.14Å; G18-G73 CarbonylContact O-C 3.56Å; G18-G74 WeakPolarHBondContact O-CA 3.46Å; G18-G74 PolarHBondContact O-N 3.33Å; G18-H290 WeakPolarHBondContact CA-ND1 3.41Å
19S94.1Very high94.6Very high13 Ų1328.9 Ų28.99%0.09116%0.16CC..THydrogen-bonded Turntrans-83.91.8178.346.80000114.7S17 C21 Y30 Q34S17-S19 PolarHBondContact O-N 3.46Å; S19-C21 PolarHBondContact O-N 3.13Å; S19-Y30 WeakPolarHBondContact CB-O 3.33Å; S19-Q34 WeakPolarHBondContact OG-CA 3.17Å; S19-Q34 VanDerWaalsContact OG-CB 3.32Å; S19-Q34 WeakPolarHBondContact OG-CB 3.28Å; S19-Q34 PolarHBondContact OG-N 2.65Å
20D94.6Very high95.2Very high48 Ų4826.9 Ų26.926%0.25714%0.139SC..  trans-66.4124.8-179.7-78.9-24000110.6S17 G18 T43 G74 E75 L78S17-D20 WeakPolarHBondContact O-CB 3.32Å; S17-D20 PolarHBondContact O-N 3.38Å; S17-D20 VanDerWaalsContact O-N 3.13Å; S17-D20 PolarHBondContact OG-O 3.13Å; G18-D20 VanDerWaalsContact C-N 3.32Å; G18-D20 PolarHBondContact O-N 3.38Å; D20-T43 VanDerWaalsContact OD2-CB 3.26Å; D20-T43 WeakPolarHBondContact OD2-CB 3.49Å; D20-T43 PolarHBondContact OD2-OG1 3.41Å; D20-T43 VanDerWaalsContact OD2-OG1 3.06Å; D20-G74 CarbonylContact O-C 3.3Å; D20-G74 WeakPolarHBondContact O-CA 3.48Å; D20-E75 PolarHBondContact O-N 2.93Å; D20-L78 HydrophobicContact CB-CD1 4.07Å; D20-L78 VanDerWaalsContact O-CD1 3.31Å; D20-L78 WeakPolarHBondContact O-CD1 3.44Å
21C96.8Very high95.4Very high12 Ų1225.3 Ų25.38%0.08113%0.134CC..  trans-137152177.4-166.40000109.8S19 L23 L31 E75 K144S19-C21 PolarHBondContact O-N 3.13Å; C21-L23 PolarHBondContact SG-N 2.98Å; C21-L31 HydrophobicContact CB-CD1 4.09Å; C21-L31 HydrophobicContact CB-CD2 4.14Å; C21-L31 HydrophobicContact CB-CG 3.98Å; C21-E75 HydrophobicContact CB-CB 4.41Å; C21-K144 WeakPolarHBondContact O-CE 3.3Å; C21-K144 PolarHBondContact O-NZ 3.41Å
22N96.7Very high95.5Very high37 Ų3724.4 Ų24.420%0.19813%0.13CC..SBendtrans-86.6-12.2171.661.3-29.1000113.2L78 N107N22-L78 HydrophobicContact CB-CD2 4.27Å; N22-N107 PolarHBondContact OD1-ND2 3.2Å
23L97.8Very high95.2Very high2 Ų225.6 Ų25.61%0.0113%0.134CC..BIsolated β-bridgetrans-98.1173.7173.2-58.7-167.2000111.2C21 L31 N107 V109 V142 T143 T149C21-L23 PolarHBondContact SG-N 2.98Å; L23-L31 WeakPolarHBondContact O-CD2 3.22Å; L23-N107 HydrophobicContact CD1-CB 3.67Å; L23-N107 HydrophobicContact CG-CB 4.44Å; L23-V109 HydrophobicContact CD1-CG2 4.43Å; L23-V109 HydrophobicContact CD2-CG2 4.21Å; L23-V142 WeakPolarHBondContact CA-O 3.22Å; L23-V142 WeakPolarHBondContact CB-O 3.39Å; L23-T143 HydrophobicContact CD2-CG2 4.22Å; L23-T149 HydrophobicContact CD1-CG2 4.16Å; L23-T149 HydrophobicContact CD2-CG2 3.51Å; L23-T149 HydrophobicContact CG-CG2 4.48Å
24N96.6Very high94.8Very high78 Ų7830.2 Ų30.242%0.41716%0.156SC..  trans-14162.5174.1-172.471.7000108.4D26 V142 K144N24-D26 PolarHBondContact O-N 3.3Å; N24-V142 PolarHBondContact N-O 3.29Å; N24-V142 WeakPolarHBondContact O-CG2 3.32Å; N24-K144 HydrophobicContact CB-CG 4.27Å
25C97.3Very high94.3Very high13 Ų1331.2 Ų31.29%0.08816%0.162CC..  trans-67.8129.8-177.5-51.70000110.3Y27 C28 Y140C25-Y27 VanDerWaalsContact C-N 3.33Å; C25-Y27 HydrophobicContact CB-CE2 4.34Å; C25-Y27 PolarHBondContact O-N 2.95Å; C25-C28 HydrophobicContact CB-CB 4.02Å; C25-C28 WeakPolarHBondContact O-CB 3.32Å; C25-C28 PolarHBondContact O-N 3.17Å; C25-Y140 CarbonylContact C-O 3.55Å; C25-Y140 WeakPolarHBondContact CA-O 3.3Å; C25-Y140 WeakPolarHBondContact CB-O 3.47Å
26D93.9Very high93.8Very high81 Ų8135.4 Ų35.443%0.43319%0.185SC..THydrogen-bonded Turntrans-63.3-38.8-169.3-68.3-12.9000112.9N24 C28 Y140N24-D26 PolarHBondContact O-N 3.3Å; D26-C28 VanDerWaalsContact C-N 3.29Å; D26-C28 PolarHBondContact O-N 3.4Å; D26-Y140 HydrophobicContact CB-CD1 3.92Å; D26-Y140 PolarHBondContact N-O 3.3Å
27Y95.8Very high93.3Very high13 Ų1336.9 Ų36.95%0.05119%0.191CC..THydrogen-bonded Turntrans-81.4-3.4179.359.4-118.6000114.1C25 F29 D131 Y140 R141 C172 V201 W230C25-Y27 VanDerWaalsContact C-N 3.33Å; C25-Y27 HydrophobicContact CB-CE2 4.34Å; C25-Y27 PolarHBondContact O-N 2.95Å; Y27-F29 PolarHBondContact O-N 3.38Å; Y27-D131 PolarHBondContact OH-OD2 3.26Å; Y27-Y140 HydrophobicContact CD1-CD1 4.39Å; Y27-Y140 HydrophobicContact CD1-CD2 4.06Å; Y27-Y140 AromaticContact CD1-CG 3.69Å; Y27-Y140 HydrophobicContact CD1-CG 3.69Å; Y27-Y140 HydrophobicContact CE1-CD2 4.26Å; Y27-Y140 HydrophobicContact CE1-CG 4.05Å; Y27-R141 HydrophobicContact CE1-CG 4.41Å; Y27-R141 VanDerWaalsContact OH-CD 3.26Å; Y27-R141 WeakPolarHBondContact OH-CD 3.26Å; Y27-R141 WeakPolarHBondContact OH-CG 3.32Å; Y27-R141 PolarHBondContact OH-NE 3.25Å; Y27-R141 PolarHBondContact OH-NH1 3.41Å; Y27-C172 HydrophobicContact CE1-CB 4.16Å; Y27-C172 HydrophobicContact CE2-CB 4.03Å; Y27-V201 HydrophobicContact CD1-CG2 4.48Å; Y27-V201 HydrophobicContact CD2-CG1 4.43Å; Y27-V201 HydrophobicContact CD2-CG2 4.43Å; Y27-V201 HydrophobicContact CG-CG1 4Å; Y27-V201 HydrophobicContact CG-CG2 4.34Å; Y27-W230 VanDerWaalsContact CB-CD1 3.44Å
28C95.6Very high92.5Very high40 Ų4044.5 Ų44.527%0.2722%0.219SC..  trans-75.9116-170.9-172.60000111.4C25 D26 Y30 L31C25-C28 HydrophobicContact CB-CB 4.02Å; C25-C28 WeakPolarHBondContact O-CB 3.32Å; C25-C28 PolarHBondContact O-N 3.17Å; D26-C28 VanDerWaalsContact C-N 3.29Å; D26-C28 PolarHBondContact O-N 3.4Å; C28-Y30 VanDerWaalsContact C-N 3.25Å; C28-Y30 PolarHBondContact O-N 2.93Å; C28-L31 HydrophobicContact CB-CD1 3.87Å; C28-L31 WeakPolarHBondContact SG-CD1 3.5Å
29F92.9Very high91.6Very high65 Ų6553.8 Ų53.829%0.28526%0.262SS..SBendtrans-73.8-13.7178.266.4-97.7000114.6Y27 E32 K33 E203 L217Y27-F29 PolarHBondContact O-N 3.38Å; F29-E32 WeakPolarHBondContact O-CG 3.29Å; F29-K33 WeakPolarHBondContact O-CE 3.36Å; F29-E203 WeakPolarHBondContact CD1-OE1 3.5Å; F29-L217 HydrophobicContact CB-CD1 3.57Å
30Y94.1Very high90.4Very high17 Ų1757.9 Ų57.97%0.06728%0.278CS..SBendtrans-93.9-30.6-165.2-171.7-111.2000114.1K15 G18 S19 C28 E32 K33 G74 E289K15-Y30 HydrophobicContact CD-CD2 4.49Å; K15-Y30 HydrophobicContact CD-CE1 3.94Å; K15-Y30 HydrophobicContact CD-CE2 3.6Å; K15-Y30 WeakPolarHBondContact CD-OH 3.3Å; K15-Y30 VanDerWaalsContact NZ-CD2 3.28Å; G18-Y30 VanDerWaalsContact C-OH 3.22Å; G18-Y30 WeakPolarHBondContact O-CE1 3.21Å; G18-Y30 PolarHBondContact O-OH 3.14Å; S19-Y30 WeakPolarHBondContact CB-O 3.33Å; C28-Y30 VanDerWaalsContact C-N 3.25Å; C28-Y30 PolarHBondContact O-N 2.93Å; Y30-E32 VanDerWaalsContact C-N 3.27Å; Y30-E32 PolarHBondContact O-N 3.34Å; Y30-K33 HydrophobicContact CD2-CB 4.35Å; Y30-K33 HydrophobicContact CD2-CG 3.87Å; Y30-K33 HydrophobicContact CE2-CB 4.28Å; Y30-K33 HydrophobicContact CE2-CG 4.21Å; Y30-K33 VanDerWaalsContact O-CB 3.32Å; Y30-K33 WeakPolarHBondContact O-CB 3.41Å; Y30-K33 WeakPolarHBondContact O-CG 3.41Å; Y30-K33 PolarHBondContact O-N 3.18Å; Y30-G74 VanDerWaalsContact CD1-N 3.34Å; Y30-E289 WeakPolarHBondContact CE2-OE1 3.34Å; Y30-E289 VanDerWaalsContact OH-CD 3.24Å; Y30-E289 PolarHBondContact OH-OE1 2.86Å; Y30-E289 PolarHBondContact OH-OE2 2.71Å
31L92.3Very high89.1Confident34 Ų3461.5 Ų61.518%0.17831%0.305CS..G310 helixtrans-61.5-36.7-179.3-80.366.7000111.9C21 L23 C28 K33 Q34C21-L31 HydrophobicContact CB-CD1 4.09Å; C21-L31 HydrophobicContact CB-CD2 4.14Å; C21-L31 HydrophobicContact CB-CG 3.98Å; L23-L31 WeakPolarHBondContact O-CD2 3.22Å; C28-L31 HydrophobicContact CB-CD1 3.87Å; C28-L31 WeakPolarHBondContact SG-CD1 3.5Å; L31-K33 PolarHBondContact O-N 2.89Å; L31-Q34 PolarHBondContact O-N 3.27Å
32E91.3Very high87.8Confident29 Ų2963.7 Ų63.714%0.13632%0.317CS..G310 helixtrans-66.4-18178.756.4164.5-146.900113.4F29 Y30 Q34 S35 L215 K216 L217F29-E32 WeakPolarHBondContact O-CG 3.29Å; Y30-E32 VanDerWaalsContact C-N 3.27Å; Y30-E32 PolarHBondContact O-N 3.34Å; E32-Q34 PolarHBondContact O-N 2.99Å; E32-S35 WeakPolarHBondContact O-CB 3.35Å; E32-S35 PolarHBondContact O-N 3.43Å; E32-S35 PolarHBondContact O-OG 3.49Å; E32-L215 HydrophobicContact CB-CD2 4.29Å; E32-L215 HydrophobicContact CG-CD2 4.14Å; E32-K216 WeakPolarHBondContact OE2-CA 3.33Å; E32-K216 PolarHBondContact OE2-N 2.89Å; E32-L217 PolarHBondContact OE2-N 2.87Å; E32-L217 VanDerWaalsContact OE2-N 3.14Å
33K89.6Confident87.1Confident32 Ų3264.7 Ų64.714%0.13933%0.325CS..G310 helixtrans-66.3-9.6-179-53.5-50.6-179.4-1530112.8F29 Y30 L31 S35 L36 L215F29-K33 WeakPolarHBondContact O-CE 3.36Å; Y30-K33 HydrophobicContact CD2-CB 4.35Å; Y30-K33 HydrophobicContact CD2-CG 3.87Å; Y30-K33 HydrophobicContact CE2-CB 4.28Å; Y30-K33 HydrophobicContact CE2-CG 4.21Å; Y30-K33 VanDerWaalsContact O-CB 3.32Å; Y30-K33 WeakPolarHBondContact O-CB 3.41Å; Y30-K33 WeakPolarHBondContact O-CG 3.41Å; Y30-K33 PolarHBondContact O-N 3.18Å; L31-K33 PolarHBondContact O-N 2.89Å; K33-S35 PolarHBondContact O-N 2.87Å; K33-S35 VanDerWaalsContact O-N 3.15Å; K33-L36 HydrophobicContact CB-CD1 4.41Å; K33-L36 HydrophobicContact CD-CD1 3.96Å; K33-L36 WeakPolarHBondContact O-CB 3.44Å; K33-L36 PolarHBondContact O-N 2.92Å; K33-L215 HydrophobicContact CD-CD2 4.24Å
34Q88.6Confident86.9Confident114 Ų11469 Ų6953%0.53335%0.345SS..G310 helixtrans-50.8-34164.8-167.6178.222.500111.8S19 L31 E32 L36 Y37S19-Q34 WeakPolarHBondContact OG-CA 3.17Å; S19-Q34 VanDerWaalsContact OG-CB 3.32Å; S19-Q34 WeakPolarHBondContact OG-CB 3.28Å; S19-Q34 PolarHBondContact OG-N 2.65Å; L31-Q34 PolarHBondContact O-N 3.27Å; E32-Q34 PolarHBondContact O-N 2.99Å; Q34-L36 PolarHBondContact O-N 3.44Å; Q34-L36 VanDerWaalsContact O-N 3.15Å; Q34-Y37 PolarHBondContact O-N 3.38Å; Q34-Y37 VanDerWaalsContact O-N 3.16Å
35S87.1Confident86.9Confident20 Ų2065.4 Ų65.414%0.1433%0.326CS..G310 helixtrans-65.8-14.8179.680.40000114E32 K33 R38 E213 L215E32-S35 WeakPolarHBondContact O-CB 3.35Å; E32-S35 PolarHBondContact O-N 3.43Å; E32-S35 PolarHBondContact O-OG 3.49Å; K33-S35 PolarHBondContact O-N 2.87Å; K33-S35 VanDerWaalsContact O-N 3.15Å; S35-R38 WeakPolarHBondContact O-CD 3.5Å; S35-R38 VanDerWaalsContact O-CG 3.27Å; S35-R38 WeakPolarHBondContact O-CG 3.32Å; S35-R38 PolarHBondContact O-NE 2.91Å; S35-E213 VanDerWaalsContact CB-O 3.22Å; S35-E213 WeakPolarHBondContact CB-O 3.43Å; S35-E213 PolarHBondContact OG-O 3.45Å; S35-L215 VanDerWaalsContact OG-CD2 3.25Å; S35-L215 WeakPolarHBondContact OG-CD2 3.3Å
36L86.4Confident86.8Confident93 Ų9368 Ų6849%0.48734%0.339SS..G310 helixtrans-89.7-11.2178.7-55.8-179.6000113K33 Q34 L215K33-L36 HydrophobicContact CB-CD1 4.41Å; K33-L36 HydrophobicContact CD-CD1 3.96Å; K33-L36 WeakPolarHBondContact O-CB 3.44Å; K33-L36 PolarHBondContact O-N 2.92Å; Q34-L36 PolarHBondContact O-N 3.44Å; Q34-L36 VanDerWaalsContact O-N 3.15Å; L36-L215 HydrophobicContact CD2-CD1 4.46Å; L36-L215 HydrophobicContact CD2-CD2 4.46Å
37Y86.6Confident86.9Confident32 Ų3267.9 Ų67.913%0.12534%0.338CS..  trans-116.126.2-177.7-64.9-77.9000113.4Q34 E39 K40 E289 H290 N291 Y295Q34-Y37 PolarHBondContact O-N 3.38Å; Q34-Y37 VanDerWaalsContact O-N 3.16Å; Y37-E39 PolarHBondContact O-N 3.49Å; Y37-K40 PolarHBondContact O-N 3.18Å; Y37-K40 VanDerWaalsContact O-N 3.12Å; Y37-E289 WeakPolarHBondContact OH-CG 3.33Å; Y37-H290 AromaticContact CD2-CE1 3.85Å; Y37-H290 AromaticContact CG-CE1 3.82Å; Y37-N291 VanDerWaalsContact CE1-ND2 3.31Å; Y37-N291 WeakPolarHBondContact CE1-ND2 3.23Å; Y37-Y295 WeakPolarHBondContact OH-CE2 3.39Å; Y37-Y295 PolarHBondContact OH-OH 3.35Å
38R79.7Confident87Confident161 Ų16173.5 Ų73.561%0.60837%0.369SS*.THydrogen-bonded Turntrans-54.7-28.9-174.7-63.9174.2-164.4-163.42.6114.6S35 E213S35-R38 WeakPolarHBondContact O-CD 3.5Å; S35-R38 VanDerWaalsContact O-CG 3.27Å; S35-R38 WeakPolarHBondContact O-CG 3.32Å; S35-R38 PolarHBondContact O-NE 2.91Å; R38-E213 PolarHBondContact NH2-O 2.89Å
39E75.9Confident87Confident195 Ų19573 Ų7391%0.91137%0.365SS*.THydrogen-bonded Turntrans-85.9-14.2-174.1-59.4-16916700113.6Y37Y37-E39 PolarHBondContact O-N 3.49Å
40K69.9Low87.3Confident99 Ų9969.9 Ų69.943%0.4335%0.351SS..  trans-107.6123.1-178.1-67.4-173.7-176.1176.80109.9Y37 V42 N291 D293Y37-K40 PolarHBondContact O-N 3.18Å; Y37-K40 VanDerWaalsContact O-N 3.12Å; K40-V42 PolarHBondContact O-N 3.25Å; K40-N291 HydrophobicContact CD-CB 4.2Å; K40-N291 PolarHBondContact NZ-ND2 3.17Å; K40-D293 IonicContact NZ-OD2 3.38Å
41P66.6Low87.5Confident125 Ų12571.8 Ų71.881%0.81236%0.36SS*.  trans-72.5-15.317928-33.1000113.1T43P41-T43 PolarHBondContact O-N 2.89Å
42V69.4Low87.8Confident57 Ų5771.6 Ų71.635%0.34536%0.364SS..  trans-78.7113.1-177.5179.90000108.7K40 H44 H290K40-V42 PolarHBondContact O-N 3.25Å; V42-H44 WeakPolarHBondContact CG1-O 3.16Å; V42-H290 PolarHBondContact O-CD2 3.07Å; V42-H290 PolarHBondContact O-NE2 3.45Å
43T82.6Confident88.1Confident59 Ų5971 Ų7136%0.36236%0.361SS..  trans-96.8-2.9177.267.70000113.2S17 D20 P41S17-T43 CarbonylContact C-O 3.55Å; S17-T43 VanDerWaalsContact C-O 3.3Å; S17-T43 VanDerWaalsContact O-O 3.1Å; D20-T43 VanDerWaalsContact OD2-CB 3.26Å; D20-T43 WeakPolarHBondContact OD2-CB 3.49Å; D20-T43 PolarHBondContact OD2-OG1 3.41Å; D20-T43 VanDerWaalsContact OD2-OG1 3.06Å; P41-T43 PolarHBondContact O-N 2.89Å
44H92.6Very high88.6Confident92 Ų9269.5 Ų69.543%0.42635%0.354SS..SBendtrans-145.1156.6-177.860.4-85.6000112.5P16 V42 D46 L79P16-H44 CarbonylContact O-C 3.44Å; P16-H44 WeakPolarHBondContact O-CA 3.36Å; V42-H44 WeakPolarHBondContact CG1-O 3.16Å; H44-D46 PolarHBondContact O-N 3.16Å; H44-L79 HydrophobicContact CB-CD2 3.48Å; H44-L79 VanDerWaalsContact CB-CD2 3.48Å
45M96.1Very high89Confident2 Ų269.4 Ų69.41%0.0135%0.349CS..  trans-64.8120.7178.7-171.2175.4-72.100110.8A14 P16 T49 L50 Y53 F83 V288 H290A14-M45 HydrophobicContact CB-CE 4.34Å; P16-M45 HydrophobicContact CB-CB 3.92Å; P16-M45 HydrophobicContact CB-CE 4.43Å; P16-M45 HydrophobicContact CB-SD 4.34Å; P16-M45 PolarHBondContact O-N 2.78Å; M45-T49 HydrophobicContact CE-CG2 4.4Å; M45-T49 HydrophobicContact CG-CG2 3.82Å; M45-T49 HydrophobicContact SD-CG2 4.44Å; M45-L50 HydrophobicContact CG-CB 4.16Å; M45-L50 HydrophobicContact SD-CB 4.06Å; M45-L50 HydrophobicContact SD-CD1 4Å; M45-Y53 HydrophobicContact SD-CD1 4.5Å; M45-F83 HydrophobicContact CB-CE2 4.15Å; M45-F83 HydrophobicContact CB-CZ 4.16Å; M45-F83 HydrophobicContact CG-CZ 4.43Å; M45-F83 WeakPolarHBondContact O-CE2 3.32Å; M45-F83 HydrophobicContact SD-CZ 4.21Å; M45-V288 HydrophobicContact CE-CG1 4.09Å; M45-H290 WeakPolarHBondContact CA-O 3.21Å
46D95.5Very high89.4Confident68 Ų6873.3 Ų73.336%0.36437%0.365SS..  trans-79.5170.6173.363.327.9000111.8H44 D48 T49 L50H44-D46 PolarHBondContact O-N 3.16Å; D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 2.87Å; D46-D48 PolarHBondContact OD1-N 3.33Å; D46-T49 PolarHBondContact O-N 2.85Å; D46-T49 WeakPolarHBondContact OD1-CB 3.35Å; D46-T49 PolarHBondContact OD1-N 3.12Å; D46-T49 PolarHBondContact OD1-OG1 2.97Å; D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 2.93Å
47D96.6Very high89.9Confident79 Ų7969.4 Ų69.442%0.42234%0.343SS..Hα-helixtrans-65.3-36.2-174.3-74.9-8.9000112.4L50 E51 R86D47-L50 PolarHBondContact O-N 2.81Å; D47-E51 WeakPolarHBondContact O-CB 3.36Å; D47-E51 PolarHBondContact O-N 3.26Å; D47-R86 VanDerWaalsContact CG-NH1 3.29Å; D47-R86 IonicContact OD1-CZ 3.87Å; D47-R86 IonicContact OD1-NE 2.79Å; D47-R86 IonicContact OD1-NH1 3.69Å; D47-R86 PolarHBondContact OD1-NH1 3.36Å; D47-R86 IonicContact OD2-NH1 2.72Å; D47-R86 PolarHBondContact OD2-NH1 3.02Å
48D97.4Very high90.3Very high131 Ų13168.4 Ų68.470%0.70134%0.34SS*.Hα-helixtrans-66.9-43.3177.9-74.5-19.5000110.9D46 A52D46-D48 VanDerWaalsContact C-N 3.34Å; D46-D48 PolarHBondContact O-N 2.87Å; D46-D48 PolarHBondContact OD1-N 3.33Å; D48-A52 VanDerWaalsContact O-CB 3.25Å; D48-A52 WeakPolarHBondContact O-CB 3.35Å; D48-A52 PolarHBondContact O-N 3.25Å
49T97Very high91Very high29 Ų2964.5 Ų64.518%0.17834%0.343CS..Hα-helixtrans-67-41.7176.5-56.10000110.9M45 D46 A52 Y53M45-T49 HydrophobicContact CE-CG2 4.4Å; M45-T49 HydrophobicContact CG-CG2 3.82Å; M45-T49 HydrophobicContact SD-CG2 4.44Å; D46-T49 PolarHBondContact O-N 2.85Å; D46-T49 WeakPolarHBondContact OD1-CB 3.35Å; D46-T49 PolarHBondContact OD1-N 3.12Å; D46-T49 PolarHBondContact OD1-OG1 2.97Å; T49-A52 PolarHBondContact O-N 3.37Å; T49-Y53 VanDerWaalsContact O-CB 3.3Å; T49-Y53 WeakPolarHBondContact O-CB 3.38Å; T49-Y53 PolarHBondContact O-N 3.38Å
50L98.4Very high91.9Very high0 Ų057.7 Ų57.70%032%0.319CS..Hα-helixtrans-60.9-48.5176.1176.861.8000111.7M45 D46 D47 Y53 I54 W71 F83 R86 A87 L90M45-L50 HydrophobicContact CG-CB 4.16Å; M45-L50 HydrophobicContact SD-CB 4.06Å; M45-L50 HydrophobicContact SD-CD1 4Å; D46-L50 WeakPolarHBondContact O-CB 3.38Å; D46-L50 PolarHBondContact O-N 2.93Å; D47-L50 PolarHBondContact O-N 2.81Å; L50-Y53 PolarHBondContact O-N 3.18Å; L50-I54 HydrophobicContact CD1-CD1 3.6Å; L50-I54 HydrophobicContact CD1-CG1 4.2Å; L50-I54 HydrophobicContact CG-CD1 3.98Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 2.86Å; L50-W71 HydrophobicContact CD1-CH2 3.9Å; L50-W71 HydrophobicContact CD1-CZ3 4.13Å; L50-F83 HydrophobicContact CD1-CE1 4.29Å; L50-F83 HydrophobicContact CD1-CE2 4.47Å; L50-F83 HydrophobicContact CD1-CZ 3.82Å; L50-F83 HydrophobicContact CD2-CD2 4.32Å; L50-F83 HydrophobicContact CD2-CE1 4.48Å; L50-F83 HydrophobicContact CD2-CE2 3.87Å; L50-F83 HydrophobicContact CD2-CZ 3.96Å; L50-F83 HydrophobicContact CG-CZ 4.33Å; L50-R86 HydrophobicContact CD2-CB 4.37Å; L50-A87 HydrophobicContact CD1-CB 4.16Å; L50-A87 HydrophobicContact CD2-CB 4.32Å; L50-L90 HydrophobicContact CD2-CD1 4.04Å; L50-L90 HydrophobicContact CG-CD1 3.9Å
51E98.6Very high92.9Very high56 Ų5653.8 Ų53.826%0.26231%0.305SS..Hα-helixtrans-63.8-42.5177.6177.1155.2-145.400111.4D47 R55 L90 K93 Y94D47-E51 WeakPolarHBondContact O-CB 3.36Å; D47-E51 PolarHBondContact O-N 3.26Å; E51-R55 WeakPolarHBondContact O-CB 3.27Å; E51-R55 PolarHBondContact O-N 3.35Å; E51-L90 HydrophobicContact CB-CD1 4.11Å; E51-L90 HydrophobicContact CB-CD2 4.1Å; E51-L90 HydrophobicContact CG-CD2 3.92Å; E51-K93 IonicContact OE1-NZ 3.5Å; E51-K93 PolarHBondContact OE1-NZ 2.91Å; E51-Y94 HydrophobicContact CG-CE2 3.86Å; E51-Y94 VanDerWaalsContact OE1-CE2 3.3Å; E51-Y94 WeakPolarHBondContact OE1-CE2 3.48Å; E51-Y94 VanDerWaalsContact OE1-CZ 3.28Å; E51-Y94 PolarHBondContact OE1-OH 2.97Å
52A98.3Very high94Very high31 Ų3150.2 Ų50.226%0.25628%0.277SS..Hα-helixtrans-61.5-47175.700000111.9D48 T49 H56D48-A52 VanDerWaalsContact O-CB 3.25Å; D48-A52 WeakPolarHBondContact O-CB 3.35Å; D48-A52 PolarHBondContact O-N 3.25Å; T49-A52 PolarHBondContact O-N 3.37Å; A52-H56 VanDerWaalsContact O-CB 3.23Å; A52-H56 WeakPolarHBondContact O-CB 3.49Å; A52-H56 PolarHBondContact O-N 2.96Å; A52-H56 PolarHBondContact O-ND1 2.99Å
53Y98.1Very high94.9Very high16 Ų1654.7 Ų54.76%0.06330%0.298CS..Hα-helixtrans-57-54.3177.3164.5-126.7000111.3V12 A14 M45 T49 L50 H56 Y57 F69 W71 V288V12-Y53 HydrophobicContact CB-CE2 4.01Å; V12-Y53 HydrophobicContact CG1-CD2 4.43Å; V12-Y53 HydrophobicContact CG1-CE2 3.44Å; V12-Y53 VanDerWaalsContact CG1-CE2 3.44Å; V12-Y53 PolarHBondContact O-OH 3.27Å; A14-Y53 HydrophobicContact CB-CD1 4.25Å; A14-Y53 HydrophobicContact CB-CE1 3.59Å; M45-Y53 HydrophobicContact SD-CD1 4.5Å; T49-Y53 VanDerWaalsContact O-CB 3.3Å; T49-Y53 WeakPolarHBondContact O-CB 3.38Å; T49-Y53 PolarHBondContact O-N 3.38Å; L50-Y53 PolarHBondContact O-N 3.18Å; Y53-H56 PolarHBondContact O-N 2.98Å; Y53-Y57 HydrophobicContact CE2-CD1 4.15Å; Y53-Y57 HydrophobicContact CE2-CG 4.36Å; Y53-Y57 VanDerWaalsContact O-CB 3.29Å; Y53-Y57 WeakPolarHBondContact O-CB 3.44Å; Y53-Y57 PolarHBondContact O-N 3.37Å; Y53-F69 AromaticContact CE1-CD1 3.7Å; Y53-F69 HydrophobicContact CE1-CD1 3.7Å; Y53-F69 AromaticContact CE1-CE1 3.91Å; Y53-F69 HydrophobicContact CE1-CE1 3.91Å; Y53-F69 HydrophobicContact CE2-CE1 4.49Å; Y53-F69 AromaticContact CZ-CD1 3.68Å; Y53-F69 AromaticContact CZ-CE1 3.89Å; Y53-F69 WeakPolarHBondContact OH-CD1 3.38Å; Y53-W71 HydrophobicContact CD1-CH2 4.33Å; Y53-W71 HydrophobicContact CD1-CZ3 4.36Å; Y53-W71 AromaticContact CE1-CH2 3.87Å; Y53-W71 HydrophobicContact CE1-CH2 3.87Å; Y53-W71 AromaticContact CE1-CZ3 3.9Å; Y53-W71 HydrophobicContact CE1-CZ3 3.9Å; Y53-V288 HydrophobicContact CD2-CB 4.31Å; Y53-V288 HydrophobicContact CD2-CG1 4.22Å; Y53-V288 HydrophobicContact CD2-CG2 3.98Å; Y53-V288 HydrophobicContact CE2-CB 4.43Å; Y53-V288 HydrophobicContact CE2-CG2 4.07Å; Y53-V288 HydrophobicContact CG-CG1 4.42Å
54I98.3Very high95.2Very high0 Ų058.4 Ų58.40%031%0.312CS..Hα-helixtrans-62.4-49-177.4-69.8169.6000110.9L50 H56 I58 F69 W71 A87 L90 Q91 Y94L50-I54 HydrophobicContact CD1-CD1 3.6Å; L50-I54 HydrophobicContact CD1-CG1 4.2Å; L50-I54 HydrophobicContact CG-CD1 3.98Å; L50-I54 WeakPolarHBondContact O-CG1 3.47Å; L50-I54 PolarHBondContact O-N 2.86Å; I54-H56 PolarHBondContact O-N 3.4Å; I54-I58 HydrophobicContact CG2-CD1 3.75Å; I54-I58 WeakPolarHBondContact O-CB 3.33Å; I54-I58 VanDerWaalsContact O-CG1 3.29Å; I54-I58 WeakPolarHBondContact O-CG1 3.23Å; I54-I58 PolarHBondContact O-N 3.37Å; I54-F69 HydrophobicContact CB-CE1 4.28Å; I54-F69 HydrophobicContact CB-CZ 4.39Å; I54-F69 HydrophobicContact CG1-CE1 3.82Å; I54-F69 HydrophobicContact CG1-CZ 4.29Å; I54-F69 HydrophobicContact CG2-CE1 4.43Å; I54-F69 HydrophobicContact CG2-CZ 4.07Å; I54-W71 HydrophobicContact CD1-CH2 4.48Å; I54-A87 HydrophobicContact CD1-CB 4.07Å; I54-A87 WeakPolarHBondContact CD1-O 3.42Å; I54-L90 HydrophobicContact CB-CB 4.45Å; I54-L90 HydrophobicContact CD1-CB 3.68Å; I54-L90 HydrophobicContact CD1-CD1 4.01Å; I54-L90 HydrophobicContact CG2-CB 4.09Å; I54-Q91 HydrophobicContact CD1-CG 4.33Å; I54-Q91 HydrophobicContact CG2-CG 3.99Å; I54-Y94 HydrophobicContact CG2-CD2 4.38Å
55R97.7Very high95Very high112 Ų11256.1 Ų56.142%0.42330%0.303SS..Hα-helixtrans-60.9-47.5-179.2-177.2-178.669.41621.5111.5E51 A59 Y94E51-R55 WeakPolarHBondContact O-CB 3.27Å; E51-R55 PolarHBondContact O-N 3.35Å; R55-A59 WeakPolarHBondContact O-CB 3.39Å; R55-A59 PolarHBondContact O-N 3.17Å; R55-Y94 HydrophobicContact CB-CD1 4.21Å; R55-Y94 HydrophobicContact CB-CD2 4.09Å; R55-Y94 HydrophobicContact CB-CE1 4.19Å; R55-Y94 HydrophobicContact CB-CE2 4.08Å; R55-Y94 HydrophobicContact CB-CG 4.16Å; R55-Y94 HydrophobicContact CG-CD1 3.8Å; R55-Y94 HydrophobicContact CG-CE1 3.7Å; R55-Y94 HydrophobicContact CG-CE2 4.48Å; R55-Y94 HydrophobicContact CG-CG 4.24Å
56H96.5Very high94.9Very high103 Ų10359.9 Ų59.948%0.47732%0.32SS..Hα-helixtrans-72-39.7-177.1-64.3158.8000112.1A52 Y53 I54 I58 A59 A60A52-H56 VanDerWaalsContact O-CB 3.23Å; A52-H56 WeakPolarHBondContact O-CB 3.49Å; A52-H56 PolarHBondContact O-N 2.96Å; A52-H56 PolarHBondContact O-ND1 2.99Å; Y53-H56 PolarHBondContact O-N 2.98Å; I54-H56 PolarHBondContact O-N 3.4Å; H56-I58 VanDerWaalsContact C-N 3.33Å; H56-I58 PolarHBondContact O-N 3.06Å; H56-A59 PolarHBondContact O-N 3.39Å; H56-A60 VanDerWaalsContact O-CB 3.24Å; H56-A60 WeakPolarHBondContact O-CB 3.44Å; H56-A60 PolarHBondContact O-N 3.2Å
57Y96.5Very high94.9Very high10 Ų1056.7 Ų56.74%0.03930%0.303CS..Hα-helixtrans-64.7-41.2177.8-177-151000111.3F10 H11 V12 Y53 A60 S61 V67 A68 F69F10-Y57 HydrophobicContact CD2-CE2 4.14Å; F10-Y57 AromaticContact CE2-CD2 3.82Å; F10-Y57 HydrophobicContact CE2-CD2 3.82Å; F10-Y57 AromaticContact CE2-CE2 3.63Å; F10-Y57 HydrophobicContact CE2-CE2 3.63Å; F10-Y57 AromaticContact CZ-CD2 3.96Å; F10-Y57 HydrophobicContact CZ-CD2 3.96Å; F10-Y57 AromaticContact CZ-CE2 3.94Å; F10-Y57 HydrophobicContact CZ-CE2 3.94Å; F10-Y57 PolarHBondContact O-OH 2.84Å; H11-Y57 WeakPolarHBondContact CA-OH 3.38Å; V12-Y57 HydrophobicContact CB-CD1 3.97Å; V12-Y57 HydrophobicContact CB-CD2 4.24Å; V12-Y57 HydrophobicContact CB-CE1 3.81Å; V12-Y57 HydrophobicContact CB-CE2 4.12Å; V12-Y57 HydrophobicContact CB-CG 4.19Å; V12-Y57 HydrophobicContact CG2-CD1 4.15Å; V12-Y57 HydrophobicContact CG2-CD2 3.5Å; V12-Y57 VanDerWaalsContact CG2-CD2 3.5Å; V12-Y57 HydrophobicContact CG2-CE1 4.06Å; V12-Y57 HydrophobicContact CG2-CE2 3.43Å; V12-Y57 VanDerWaalsContact CG2-CE2 3.43Å; V12-Y57 HydrophobicContact CG2-CG 3.9Å; V12-Y57 PolarHBondContact N-OH 3.23Å; Y53-Y57 HydrophobicContact CE2-CD1 4.15Å; Y53-Y57 HydrophobicContact CE2-CG 4.36Å; Y53-Y57 VanDerWaalsContact O-CB 3.29Å; Y53-Y57 WeakPolarHBondContact O-CB 3.44Å; Y53-Y57 PolarHBondContact O-N 3.37Å; Y57-A60 PolarHBondContact O-N 3.33Å; Y57-S61 WeakPolarHBondContact CE2-OG 3.39Å; Y57-S61 PolarHBondContact O-N 3.44Å; Y57-S61 PolarHBondContact O-OG 3.47Å; Y57-V67 HydrophobicContact CD1-CG1 3.67Å; Y57-V67 HydrophobicContact CD2-CG1 4.48Å; Y57-V67 HydrophobicContact CE1-CG1 3.47Å; Y57-V67 VanDerWaalsContact CE1-CG1 3.47Å; Y57-V67 HydrophobicContact CE2-CG1 4.3Å; Y57-V67 HydrophobicContact CG-CG1 4.18Å; Y57-A68 WeakPolarHBondContact CE1-O 3.44Å; Y57-A68 PolarHBondContact OH-O 2.77Å; Y57-F69 AromaticContact CD1-CD1 3.95Å; Y57-F69 HydrophobicContact CD1-CD1 3.95Å; Y57-F69 AromaticContact CD1-CE1 3.61Å; Y57-F69 HydrophobicContact CD1-CE1 3.61Å; Y57-F69 HydrophobicContact CD1-CE2 4.4Å; Y57-F69 HydrophobicContact CD1-CG 4.47Å; Y57-F69 AromaticContact CD1-CZ 3.87Å; Y57-F69 HydrophobicContact CD1-CZ 3.87Å; Y57-F69 HydrophobicContact CE1-CD1 4.41Å; Y57-F69 HydrophobicContact CE1-CE1 4.44Å; Y57-F69 HydrophobicContact CG-CE1 4.49Å
58I95.7Very high94.8Very high11 Ų1154.3 Ų54.36%0.05630%0.295CS..Hα-helixtrans-59.7-52.4173.3-73.3169.2000110.3I54 H56 A60 S61 V67 F69 Y94 R98 I100I54-I58 HydrophobicContact CG2-CD1 3.75Å; I54-I58 WeakPolarHBondContact O-CB 3.33Å; I54-I58 VanDerWaalsContact O-CG1 3.29Å; I54-I58 WeakPolarHBondContact O-CG1 3.23Å; I54-I58 PolarHBondContact O-N 3.37Å; H56-I58 VanDerWaalsContact C-N 3.33Å; H56-I58 PolarHBondContact O-N 3.06Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.13Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-S61 VanDerWaalsContact O-N 3.17Å; I58-V67 HydrophobicContact CG1-CG1 4.42Å; I58-F69 HydrophobicContact CD1-CE2 4.4Å; I58-F69 HydrophobicContact CD1-CZ 4.15Å; I58-F69 HydrophobicContact CG1-CE2 4.22Å; I58-F69 HydrophobicContact CG1-CZ 3.93Å; I58-Y94 WeakPolarHBondContact CG2-O 3.33Å; I58-R98 VanDerWaalsContact CA-NH2 3.26Å; I58-R98 PolarHBondContact O-NH1 2.83Å; I58-R98 PolarHBondContact O-NH2 2.82Å; I58-I100 HydrophobicContact CD1-CD1 3.98Å
59A94.3Very high94.8Very high80 Ų8048.1 Ų48.166%0.66126%0.261SS*.Hα-helixtrans-63.2-32.2-17800000114R55 H56 S61R55-A59 WeakPolarHBondContact O-CB 3.39Å; R55-A59 PolarHBondContact O-N 3.17Å; H56-A59 PolarHBondContact O-N 3.39Å; A59-S61 VanDerWaalsContact C-N 3.31Å
60A93.4Very high94.9Very high51 Ų5147.3 Ų47.342%0.42126%0.256SS..Hα-helixtrans-78-14.417900000113.6F10 H56 Y57 I58F10-A60 HydrophobicContact CE1-CB 4.41Å; F10-A60 HydrophobicContact CZ-CB 3.96Å; H56-A60 VanDerWaalsContact O-CB 3.24Å; H56-A60 WeakPolarHBondContact O-CB 3.44Å; H56-A60 PolarHBondContact O-N 3.2Å; Y57-A60 PolarHBondContact O-N 3.33Å; I58-A60 VanDerWaalsContact C-N 3.3Å; I58-A60 PolarHBondContact O-N 3.13Å
61S92.1Very high94.9Very high17 Ų1747.3 Ų47.312%0.11926%0.256CS..SBendtrans-91.8137.5-179.4-58.30000111.5Y57 I58 A59 V67 R98Y57-S61 WeakPolarHBondContact CE2-OG 3.39Å; Y57-S61 PolarHBondContact O-N 3.44Å; Y57-S61 PolarHBondContact O-OG 3.47Å; I58-S61 PolarHBondContact O-N 3.21Å; I58-S61 VanDerWaalsContact O-N 3.17Å; A59-S61 VanDerWaalsContact C-N 3.31Å; S61-V67 VanDerWaalsContact OG-CG2 3.28Å; S61-V67 WeakPolarHBondContact OG-CG2 3.31Å; S61-R98 PolarHBondContact O-NH1 2.84Å
62E89.7Confident94.8Very high51 Ų5145.8 Ų45.824%0.23825%0.249CC..  trans-62.1145.6178.9-52.6-172.115800111.9T7 Q64 N65T7-E62 PolarHBondContact N-OE1 3.13Å; T7-E62 VanDerWaalsContact N-OE1 3.14Å; T7-E62 VanDerWaalsContact O-OE1 3.06Å; T7-E62 WeakPolarHBondContact OG1-CG 3.41Å; T7-E62 PolarHBondContact OG1-OE1 2.93Å; E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 3.07Å; E62-Q64 PolarHBondContact OE2-NE2 3.3Å; E62-N65 PolarHBondContact O-N 2.89Å; E62-N65 PolarHBondContact OE2-ND2 2.84Å
63L88.4Confident94Very high150 Ų15044.7 Ų44.779%0.78524%0.241SC*.THydrogen-bonded Turntrans-60.2-33.2-169.8-71.5173.5000114.2N65L63-N65 VanDerWaalsContact C-N 3.34Å
64Q88Confident93.8Very high138 Ų13844.9 Ų44.965%0.64525%0.248SC*.THydrogen-bonded Turntrans-83-12.2-179.875.8-766.300113.5E62E62-Q64 VanDerWaalsContact C-N 3.27Å; E62-Q64 PolarHBondContact O-N 3.07Å; E62-Q64 PolarHBondContact OE2-NE2 3.3Å
65N89.5Confident93.8Very high44 Ų4445 Ų4524%0.23525%0.249CC..SBendtrans-89.7143.8-177.9-65.1-20.1000110.3E62 L63E62-N65 PolarHBondContact O-N 2.89Å; E62-N65 PolarHBondContact OE2-ND2 2.84Å; L63-N65 VanDerWaalsContact C-N 3.34Å
66E93Very high93.8Very high81 Ų8139.8 Ų39.838%0.37923%0.229SC..  trans-63.5145.7164.7177.1169.9-170.200110.7K99 S101E66-K99 WeakPolarHBondContact CA-O 3.34Å; E66-K99 HydrophobicContact CB-CB 4.47Å; E66-K99 HydrophobicContact CB-CD 4.12Å; E66-K99 HydrophobicContact CB-CG 4.36Å; E66-K99 HydrophobicContact CG-CD 4.1Å; E66-K99 HydrophobicContact CG-CG 4.07Å; E66-K99 IonicContact OE1-NZ 3Å; E66-K99 WeakPolarHBondContact OE2-CE 3.3Å; E66-K99 IonicContact OE2-NZ 3.9Å; E66-K99 PolarHBondContact OE2-NZ 3Å; E66-S101 WeakPolarHBondContact OE1-CB 3.38Å; E66-S101 PolarHBondContact OE1-OG 2.85Å
67V95.2Very high93.9Very high0 Ų035.1 Ų35.10%021%0.208CC..EExtended strand (participates in β ladder)trans-112.2106.9171177.20000110.3Y57 I58 S61 F69 K99 I100 S101Y57-V67 HydrophobicContact CD1-CG1 3.67Å; Y57-V67 HydrophobicContact CD2-CG1 4.48Å; Y57-V67 HydrophobicContact CE1-CG1 3.47Å; Y57-V67 VanDerWaalsContact CE1-CG1 3.47Å; Y57-V67 HydrophobicContact CE2-CG1 4.3Å; Y57-V67 HydrophobicContact CG-CG1 4.18Å; I58-V67 HydrophobicContact CG1-CG1 4.42Å; S61-V67 VanDerWaalsContact OG-CG2 3.28Å; S61-V67 WeakPolarHBondContact OG-CG2 3.31Å; V67-F69 HydrophobicContact CG1-CD2 4.08Å; V67-F69 HydrophobicContact CG1-CE2 3.56Å; V67-F69 HydrophobicContact CG1-CZ 4.04Å; V67-K99 PolarHBondContact N-O 3.18Å; V67-I100 WeakPolarHBondContact O-CA 3.3Å; V67-S101 PolarHBondContact O-N 3.43Å; V67-S101 VanDerWaalsContact O-N 3.09Å
68A94.9Very high93.9Very high30 Ų3038.1 Ų38.125%0.24822%0.224CC..EExtended strand (participates in β ladder)trans-95.9106.7-177.100000109.5H11 Y57H11-A68 PolarHBondContact CD2-O 3.47Å; H11-A68 VanDerWaalsContact CD2-O 3.29Å; Y57-A68 WeakPolarHBondContact CE1-O 3.44Å; Y57-A68 PolarHBondContact OH-O 2.77Å
69F97.7Very high94Very high0 Ų039.4 Ų39.40%023%0.231CC..EExtended strand (participates in β ladder)trans-82.8128.6171.2-71.5-93000109.3Y53 I54 Y57 I58 V67 W71 Q91 I100 S101 N102 S103Y53-F69 AromaticContact CE1-CD1 3.7Å; Y53-F69 HydrophobicContact CE1-CD1 3.7Å; Y53-F69 AromaticContact CE1-CE1 3.91Å; Y53-F69 HydrophobicContact CE1-CE1 3.91Å; Y53-F69 HydrophobicContact CE2-CE1 4.49Å; Y53-F69 AromaticContact CZ-CD1 3.68Å; Y53-F69 AromaticContact CZ-CE1 3.89Å; Y53-F69 WeakPolarHBondContact OH-CD1 3.38Å; I54-F69 HydrophobicContact CB-CE1 4.28Å; I54-F69 HydrophobicContact CB-CZ 4.39Å; I54-F69 HydrophobicContact CG1-CE1 3.82Å; I54-F69 HydrophobicContact CG1-CZ 4.29Å; I54-F69 HydrophobicContact CG2-CE1 4.43Å; I54-F69 HydrophobicContact CG2-CZ 4.07Å; Y57-F69 AromaticContact CD1-CD1 3.95Å; Y57-F69 HydrophobicContact CD1-CD1 3.95Å; Y57-F69 AromaticContact CD1-CE1 3.61Å; Y57-F69 HydrophobicContact CD1-CE1 3.61Å; Y57-F69 HydrophobicContact CD1-CE2 4.4Å; Y57-F69 HydrophobicContact CD1-CG 4.47Å; Y57-F69 AromaticContact CD1-CZ 3.87Å; Y57-F69 HydrophobicContact CD1-CZ 3.87Å; Y57-F69 HydrophobicContact CE1-CD1 4.41Å; Y57-F69 HydrophobicContact CE1-CE1 4.44Å; Y57-F69 HydrophobicContact CG-CE1 4.49Å; I58-F69 HydrophobicContact CD1-CE2 4.4Å; I58-F69 HydrophobicContact CD1-CZ 4.15Å; I58-F69 HydrophobicContact CG1-CE2 4.22Å; I58-F69 HydrophobicContact CG1-CZ 3.93Å; V67-F69 HydrophobicContact CG1-CD2 4.08Å; V67-F69 HydrophobicContact CG1-CE2 3.56Å; V67-F69 HydrophobicContact CG1-CZ 4.04Å; F69-W71 HydrophobicContact CB-CZ2 4.15Å; F69-W71 HydrophobicContact CD1-CH2 4.48Å; F69-W71 HydrophobicContact CD1-CZ2 4.21Å; F69-W71 HydrophobicContact CG-CZ2 4.44Å; F69-Q91 HydrophobicContact CD2-CG 4.15Å; F69-Q91 VanDerWaalsContact CD2-NE2 3.31Å; F69-Q91 HydrophobicContact CE2-CG 3.82Å; F69-Q91 VanDerWaalsContact CG-NE2 3.26Å; F69-Q91 HydrophobicContact CZ-CG 4.09Å; F69-I100 HydrophobicContact CD2-CG2 3.77Å; F69-I100 HydrophobicContact CE2-CG2 3.93Å; F69-S101 PolarHBondContact N-O 2.98Å; F69-N102 WeakPolarHBondContact CB-OD1 3.48Å; F69-N102 CarbonylContact O-C 3.52Å; F69-N102 VanDerWaalsContact O-CA 3.31Å; F69-N102 WeakPolarHBondContact O-CA 3.46Å; F69-S103 PolarHBondContact O-N 2.95Å
70T97.8Very high94.1Very high12 Ų1236.9 Ų36.97%0.07421%0.212CC..EExtended strand (participates in β ladder)trans-117.5130.4171.5-63.50000110.6H11 V12 M13 A14 Q72 S103H11-T70 PolarHBondContact CE1-OG1 3.27Å; H11-T70 VanDerWaalsContact CE1-OG1 3.32Å; H11-T70 VanDerWaalsContact NE2-CB 3.31Å; H11-T70 WeakPolarHBondContact NE2-CB 3.35Å; H11-T70 PolarHBondContact NE2-OG1 3.31Å; V12-T70 PolarHBondContact O-N 3.48Å; M13-T70 CarbonylContact C-O 3.54Å; M13-T70 WeakPolarHBondContact CA-O 3.44Å; M13-T70 HydrophobicContact CB-CG2 4.46Å; M13-T70 HydrophobicContact CE-CG2 4.23Å; M13-T70 HydrophobicContact CG-CG2 4.02Å; A14-T70 PolarHBondContact N-O 2.95Å; T70-Q72 HydrophobicContact CG2-CG 3.9Å; T70-S103 CarbonylContact C-O 3.53Å; T70-S103 WeakPolarHBondContact CA-O 3.45Å; T70-S103 WeakPolarHBondContact CB-OG 3.33Å; T70-S103 WeakPolarHBondContact CG2-OG 3.06Å; T70-S103 PolarHBondContact OG1-OG 2.83Å
71W98.3Very high94.3Very high0 Ų035.1 Ų35.10%020%0.196CC..EExtended strand (participates in β ladder)trans-108.9115.4179.7-48.798.8000109A14 P16 L50 Y53 I54 F69 F83 Y84 A87 N102 S103 F104 Q105 F124A14-W71 HydrophobicContact CB-CE3 3.88Å; A14-W71 HydrophobicContact CB-CZ3 3.94Å; P16-W71 HydrophobicContact CG-CE3 4.13Å; L50-W71 HydrophobicContact CD1-CH2 3.9Å; L50-W71 HydrophobicContact CD1-CZ3 4.13Å; Y53-W71 HydrophobicContact CD1-CH2 4.33Å; Y53-W71 HydrophobicContact CD1-CZ3 4.36Å; Y53-W71 AromaticContact CE1-CH2 3.87Å; Y53-W71 HydrophobicContact CE1-CH2 3.87Å; Y53-W71 AromaticContact CE1-CZ3 3.9Å; Y53-W71 HydrophobicContact CE1-CZ3 3.9Å; I54-W71 HydrophobicContact CD1-CH2 4.48Å; F69-W71 HydrophobicContact CB-CZ2 4.15Å; F69-W71 HydrophobicContact CD1-CH2 4.48Å; F69-W71 HydrophobicContact CD1-CZ2 4.21Å; F69-W71 HydrophobicContact CG-CZ2 4.44Å; W71-F83 HydrophobicContact CZ3-CE1 4.21Å; W71-Y84 HydrophobicContact CB-CE1 4.14Å; W71-Y84 HydrophobicContact CD2-CD1 4.42Å; W71-Y84 AromaticContact CD2-CE1 3.97Å; W71-Y84 HydrophobicContact CD2-CE1 3.97Å; W71-Y84 HydrophobicContact CE3-CE1 4.2Å; W71-Y84 HydrophobicContact CG-CD1 4.46Å; W71-Y84 AromaticContact CG-CE1 3.94Å; W71-Y84 HydrophobicContact CG-CE1 3.94Å; W71-A87 HydrophobicContact CH2-CB 3.88Å; W71-A87 HydrophobicContact CZ2-CB 3.87Å; W71-N102 PolarHBondContact NE1-OD1 2.84Å; W71-S103 VanDerWaalsContact CD1-O 3.29Å; W71-S103 PolarHBondContact N-O 3.23Å; W71-F104 HydrophobicContact CB-CD2 3.66Å; W71-F104 HydrophobicContact CB-CE2 4.22Å; W71-F104 HydrophobicContact CG-CD2 4.2Å; W71-F104 WeakPolarHBondContact O-CA 3.38Å; W71-Q105 PolarHBondContact O-N 3.3Å; W71-F124 AromaticContact CD1-CE1 3.7Å; W71-F124 AromaticContact NE1-CE1 3.8Å
72Q96.6Very high94.6Very high24 Ų2439.7 Ų39.711%0.11222%0.215CC..  trans-134.7-145.9173.2-55.2-161.2-6.600109.7M13 A14 P16 T70 Q105M13-Q72 HydrophobicContact CE-CG 4.09Å; M13-Q72 HydrophobicContact CG-CB 4.12Å; M13-Q72 HydrophobicContact CG-CG 3.82Å; M13-Q72 HydrophobicContact SD-CB 3.92Å; M13-Q72 HydrophobicContact SD-CG 3.57Å; M13-Q72 VanDerWaalsContact SD-CG 3.57Å; M13-Q72 PolarHBondContact SD-OE1 3.28Å; A14-Q72 PolarHBondContact O-N 2.78Å; P16-Q72 WeakPolarHBondContact CD-O 3.14Å; T70-Q72 HydrophobicContact CG2-CG 3.9Å; Q72-Q105 HydrophobicContact CB-CB 4.39Å; Q72-Q105 HydrophobicContact CG-CB 3.66Å; Q72-Q105 VanDerWaalsContact NE2-NE2 3.16Å; Q72-Q105 VanDerWaalsContact OE1-OE1 3.1Å
73G83.2Confident95Very high8 Ų837.5 Ų37.58%0.08221%0.205CC..SBendtrans77.7120.5174.100000111.6S17 G18 E75 P76S17-G73 PolarHBondContact OG-O 2.85Å; G18-G73 CarbonylContact O-C 3.56Å; G73-E75 PolarHBondContact O-N 3.38Å; G73-E75 VanDerWaalsContact O-N 3.11Å; G73-P76 WeakPolarHBondContact O-CD 3.43Å
74G93.7Very high95.5Very high20 Ų2030.3 Ų30.321%0.20617%0.167CC..SBendtrans56.4-120.5178.100000108G18 D20 Y30G18-G74 WeakPolarHBondContact O-CA 3.46Å; G18-G74 PolarHBondContact O-N 3.33Å; D20-G74 CarbonylContact O-C 3.3Å; D20-G74 WeakPolarHBondContact O-CA 3.48Å; Y30-G74 VanDerWaalsContact CD1-N 3.34Å
75E97.7Very high96Very high4 Ų427.7 Ų27.72%0.01915%0.152CC..  trans-122.9106.7161.317550.2-130.900110.3S17 D20 C21 G73 T77 L78 T106 N107S17-E75 PolarHBondContact OG-N 2.79Å; S17-E75 PolarHBondContact OG-O 2.96Å; D20-E75 PolarHBondContact O-N 2.93Å; C21-E75 HydrophobicContact CB-CB 4.41Å; G73-E75 PolarHBondContact O-N 3.38Å; G73-E75 VanDerWaalsContact O-N 3.11Å; E75-T77 VanDerWaalsContact CD-OG1 3.23Å; E75-T77 WeakPolarHBondContact CG-OG1 3.42Å; E75-T77 PolarHBondContact O-N 3.44Å; E75-T77 WeakPolarHBondContact OE1-CB 3.48Å; E75-T77 VanDerWaalsContact OE1-CG2 3.27Å; E75-T77 WeakPolarHBondContact OE1-CG2 3.35Å; E75-T77 PolarHBondContact OE1-N 3.44Å; E75-T77 VanDerWaalsContact OE1-N 3.13Å; E75-T77 PolarHBondContact OE1-OG1 2.87Å; E75-L78 HydrophobicContact CB-CD1 4.08Å; E75-L78 HydrophobicContact CB-CG 4.06Å; E75-L78 HydrophobicContact CG-CG 4.22Å; E75-L78 VanDerWaalsContact O-CB 3.26Å; E75-L78 WeakPolarHBondContact O-CB 3.49Å; E75-L78 VanDerWaalsContact O-CG 3.27Å; E75-L78 WeakPolarHBondContact O-CG 3.23Å; E75-L78 PolarHBondContact O-N 3.48Å; E75-T106 VanDerWaalsContact CD-OG1 3.32Å; E75-T106 WeakPolarHBondContact OE1-CB 3.26Å; E75-T106 PolarHBondContact OE1-OG1 2.84Å; E75-T106 PolarHBondContact OE2-OG1 3.48Å; E75-N107 WeakPolarHBondContact CG-ND2 3.46Å; E75-N107 PolarHBondContact OE2-N 3.33Å; E75-N107 PolarHBondContact OE2-ND2 2.82Å
76P97.8Very high96.4Very high1 Ų130.3 Ų30.31%0.00616%0.158CC..G310 helixtrans-62.2-28.5-174.621-30.9000113.5G73 L78 L79 Y84 F104 Q105G73-P76 WeakPolarHBondContact O-CD 3.43Å; P76-L78 PolarHBondContact O-N 2.91Å; P76-L79 PolarHBondContact O-N 2.84Å; P76-Y84 WeakPolarHBondContact CB-OH 3.49Å; P76-Y84 PolarHBondContact O-OH 3.04Å; P76-F104 HydrophobicContact CB-CE2 3.72Å; P76-F104 HydrophobicContact CB-CZ 3.7Å; P76-F104 HydrophobicContact CG-CE1 4.01Å; P76-F104 HydrophobicContact CG-CE2 3.96Å; P76-F104 HydrophobicContact CG-CZ 3.64Å; P76-Q105 WeakPolarHBondContact CD-O 3.39Å; P76-Q105 WeakPolarHBondContact CG-O 3.32Å
77T98.1Very high96.7Very high5 Ų526.4 Ų26.43%0.03114%0.14CC..G310 helixtrans-61.8-15.3176.6560000113.8E75 L79 G80 F104 L111 W115E75-T77 VanDerWaalsContact CD-OG1 3.23Å; E75-T77 WeakPolarHBondContact CG-OG1 3.42Å; E75-T77 PolarHBondContact O-N 3.44Å; E75-T77 WeakPolarHBondContact OE1-CB 3.48Å; E75-T77 VanDerWaalsContact OE1-CG2 3.27Å; E75-T77 WeakPolarHBondContact OE1-CG2 3.35Å; E75-T77 PolarHBondContact OE1-N 3.44Å; E75-T77 VanDerWaalsContact OE1-N 3.13Å; E75-T77 PolarHBondContact OE1-OG1 2.87Å; T77-L79 PolarHBondContact O-N 2.91Å; T77-G80 PolarHBondContact O-N 3.12Å; T77-G80 VanDerWaalsContact O-N 3.12Å; T77-F104 HydrophobicContact CG2-CE1 3.56Å; T77-F104 HydrophobicContact CG2-CZ 3.58Å; T77-L111 HydrophobicContact CG2-CD2 3.93Å; T77-W115 HydrophobicContact CG2-CH2 4.18Å; T77-W115 HydrophobicContact CG2-CZ2 4.15Å; T77-W115 HydrophobicContact CG2-CZ3 4.39Å
78L97.2Very high96.9Very high73 Ų7327.6 Ų27.638%0.38215%0.147SC..G310 helixtrans-61.6-23.8175.8-69.9176.2000113.9D20 N22 E75 P76 G80 L110D20-L78 HydrophobicContact CB-CD1 4.07Å; D20-L78 VanDerWaalsContact O-CD1 3.31Å; D20-L78 WeakPolarHBondContact O-CD1 3.44Å; N22-L78 HydrophobicContact CB-CD2 4.27Å; E75-L78 HydrophobicContact CB-CD1 4.08Å; E75-L78 HydrophobicContact CB-CG 4.06Å; E75-L78 HydrophobicContact CG-CG 4.22Å; E75-L78 VanDerWaalsContact O-CB 3.26Å; E75-L78 WeakPolarHBondContact O-CB 3.49Å; E75-L78 VanDerWaalsContact O-CG 3.27Å; E75-L78 WeakPolarHBondContact O-CG 3.23Å; E75-L78 PolarHBondContact O-N 3.48Å; P76-L78 PolarHBondContact O-N 2.91Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-G80 PolarHBondContact O-N 3.32Å; L78-L110 HydrophobicContact CD2-CD1 3.72Å; L78-L110 HydrophobicContact CG-CD1 4.42Å
79L96.9Very high97Very high39 Ų3929.1 Ų29.120%0.20416%0.159CC..G310 helixtrans-79.3-9.9178.4-57.4-169.9000113.7P16 H44 P76 T77 F83 Y84P16-L79 HydrophobicContact CB-CD1 3.59Å; P16-L79 HydrophobicContact CG-CD1 4Å; H44-L79 HydrophobicContact CB-CD2 3.48Å; H44-L79 VanDerWaalsContact CB-CD2 3.48Å; P76-L79 PolarHBondContact O-N 2.84Å; T77-L79 PolarHBondContact O-N 2.91Å; L79-F83 HydrophobicContact CB-CB 3.8Å; L79-F83 HydrophobicContact CB-CD1 4.35Å; L79-F83 HydrophobicContact CB-CD2 4.36Å; L79-F83 HydrophobicContact CB-CG 3.91Å; L79-F83 HydrophobicContact CD1-CD1 3.91Å; L79-F83 HydrophobicContact CD1-CD2 3.74Å; L79-F83 HydrophobicContact CD1-CE1 3.96Å; L79-F83 HydrophobicContact CD1-CE2 3.79Å; L79-F83 HydrophobicContact CD1-CG 3.8Å; L79-F83 HydrophobicContact CD1-CZ 3.9Å; L79-Y84 HydrophobicContact CB-CE2 4.4Å
80G97.2Very high97Very high26 Ų2630.2 Ų30.227%0.26817%0.165SC..  trans73.7166.1-178.500000113.9T77 L78 E82 F83 Y84T77-G80 PolarHBondContact O-N 3.12Å; T77-G80 VanDerWaalsContact O-N 3.12Å; L78-G80 VanDerWaalsContact C-N 3.26Å; L78-G80 PolarHBondContact O-N 3.32Å; G80-E82 VanDerWaalsContact C-N 3.31Å; G80-E82 PolarHBondContact O-N 3.08Å; G80-F83 PolarHBondContact O-N 3.22Å; G80-Y84 WeakPolarHBondContact O-CD2 3.45Å
81L97.9Very high97.1Very high14 Ų1430 Ų307%0.07316%0.163CC..Hα-helixtrans-61.8-35-176.1-83.8169.8000113.9F83 Y84 R85 E114 W115 F118L81-F83 PolarHBondContact O-N 2.86Å; L81-Y84 PolarHBondContact O-N 3.13Å; L81-R85 WeakPolarHBondContact O-CG 3.28Å; L81-R85 PolarHBondContact O-N 3.42Å; L81-E114 HydrophobicContact CD1-CB 3.92Å; L81-E114 VanDerWaalsContact CD1-CD 3.5Å; L81-E114 HydrophobicContact CD1-CG 3.53Å; L81-W115 HydrophobicContact CD1-CD2 4.33Å; L81-W115 HydrophobicContact CD1-CG 4.25Å; L81-W115 HydrophobicContact CD2-CD2 3.63Å; L81-W115 HydrophobicContact CD2-CE3 3.37Å; L81-W115 HydrophobicContact CD2-CG 4.24Å; L81-W115 HydrophobicContact CD2-CH2 4.21Å; L81-W115 HydrophobicContact CD2-CZ2 4.42Å; L81-W115 HydrophobicContact CD2-CZ3 3.69Å; L81-W115 HydrophobicContact CG-CD2 3.68Å; L81-W115 HydrophobicContact CG-CE3 3.95Å; L81-W115 HydrophobicContact CG-CG 4.11Å; L81-W115 HydrophobicContact CG-CH2 4.35Å; L81-W115 HydrophobicContact CG-CZ2 4.11Å; L81-W115 HydrophobicContact CG-CZ3 4.27Å; L81-F118 HydrophobicContact CD2-CB 3.63Å; L81-F118 HydrophobicContact CD2-CD1 3.56Å; L81-F118 HydrophobicContact CD2-CD2 4.22Å; L81-F118 HydrophobicContact CD2-CE1 4.3Å; L81-F118 HydrophobicContact CD2-CG 3.52Å
82E98.2Very high97Very high114 Ų11433.6 Ų33.653%0.53319%0.193SC..Hα-helixtrans-61.6-30-178.1-68.5-54.1120.700113G80 R85 R86G80-E82 VanDerWaalsContact C-N 3.31Å; G80-E82 PolarHBondContact O-N 3.08Å; E82-R85 VanDerWaalsContact OE1-CD 3.3Å; E82-R85 WeakPolarHBondContact OE1-CD 3.37Å; E82-R85 IonicContact OE1-NE 2.98Å; E82-R85 PolarHBondContact OE1-NE 3.5Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.3Å; E82-R86 PolarHBondContact O-NE 3.37Å
83F98.4Very high97Very high4 Ų438.4 Ų38.42%0.01821%0.214CC..Hα-helixtrans-61.3-47.9170.2-178.5-89.2000111.4P16 M45 L50 W71 L79 G80 L81 R86 A87P16-F83 HydrophobicContact CB-CE1 3.74Å; P16-F83 HydrophobicContact CB-CE2 4.41Å; P16-F83 HydrophobicContact CB-CZ 3.51Å; P16-F83 HydrophobicContact CG-CE1 4.07Å; P16-F83 HydrophobicContact CG-CZ 4.35Å; M45-F83 HydrophobicContact CB-CE2 4.15Å; M45-F83 HydrophobicContact CB-CZ 4.16Å; M45-F83 HydrophobicContact CG-CZ 4.43Å; M45-F83 WeakPolarHBondContact O-CE2 3.32Å; M45-F83 HydrophobicContact SD-CZ 4.21Å; L50-F83 HydrophobicContact CD1-CE1 4.29Å; L50-F83 HydrophobicContact CD1-CE2 4.47Å; L50-F83 HydrophobicContact CD1-CZ 3.82Å; L50-F83 HydrophobicContact CD2-CD2 4.32Å; L50-F83 HydrophobicContact CD2-CE1 4.48Å; L50-F83 HydrophobicContact CD2-CE2 3.87Å; L50-F83 HydrophobicContact CD2-CZ 3.96Å; L50-F83 HydrophobicContact CG-CZ 4.33Å; W71-F83 HydrophobicContact CZ3-CE1 4.21Å; L79-F83 HydrophobicContact CB-CB 3.8Å; L79-F83 HydrophobicContact CB-CD1 4.35Å; L79-F83 HydrophobicContact CB-CD2 4.36Å; L79-F83 HydrophobicContact CB-CG 3.91Å; L79-F83 HydrophobicContact CD1-CD1 3.91Å; L79-F83 HydrophobicContact CD1-CD2 3.74Å; L79-F83 HydrophobicContact CD1-CE1 3.96Å; L79-F83 HydrophobicContact CD1-CE2 3.79Å; L79-F83 HydrophobicContact CD1-CG 3.8Å; L79-F83 HydrophobicContact CD1-CZ 3.9Å; G80-F83 PolarHBondContact O-N 3.22Å; L81-F83 PolarHBondContact O-N 2.86Å; F83-R86 WeakPolarHBondContact O-CB 3.41Å; F83-R86 PolarHBondContact O-N 3.04Å; F83-A87 PolarHBondContact O-N 3.15Å
84Y98.6Very high97.7Very high0 Ų041 Ų410%022%0.222CC..Hα-helixtrans-75.5-30.6-177-62.2-77.9000113.1W71 P76 L79 G80 L81 R86 A87 V88 F104 W115W71-Y84 HydrophobicContact CB-CE1 4.14Å; W71-Y84 HydrophobicContact CD2-CD1 4.42Å; W71-Y84 AromaticContact CD2-CE1 3.97Å; W71-Y84 HydrophobicContact CD2-CE1 3.97Å; W71-Y84 HydrophobicContact CE3-CE1 4.2Å; W71-Y84 HydrophobicContact CG-CD1 4.46Å; W71-Y84 AromaticContact CG-CE1 3.94Å; W71-Y84 HydrophobicContact CG-CE1 3.94Å; P76-Y84 WeakPolarHBondContact CB-OH 3.49Å; P76-Y84 PolarHBondContact O-OH 3.04Å; L79-Y84 HydrophobicContact CB-CE2 4.4Å; G80-Y84 WeakPolarHBondContact O-CD2 3.45Å; L81-Y84 PolarHBondContact O-N 3.13Å; Y84-R86 VanDerWaalsContact C-N 3.33Å; Y84-R86 PolarHBondContact O-N 3.42Å; Y84-A87 PolarHBondContact O-N 2.94Å; Y84-V88 WeakPolarHBondContact O-CG2 3.48Å; Y84-V88 PolarHBondContact O-N 3.48Å; Y84-F104 HydrophobicContact CD1-CD2 4.48Å; Y84-F104 HydrophobicContact CD1-CE2 4.14Å; Y84-F104 HydrophobicContact CD2-CE2 4.45Å; Y84-F104 HydrophobicContact CE1-CD2 4.07Å; Y84-F104 AromaticContact CE1-CE2 3.57Å; Y84-F104 HydrophobicContact CE1-CE2 3.57Å; Y84-F104 AromaticContact CE2-CE2 3.92Å; Y84-F104 HydrophobicContact CE2-CE2 3.92Å; Y84-F104 HydrophobicContact CE2-CZ 4.4Å; Y84-F104 AromaticContact CZ-CE2 3.46Å; Y84-F104 VanDerWaalsContact CZ-CE2 3.46Å; Y84-W115 AromaticContact CD2-CH2 3.44Å; Y84-W115 HydrophobicContact CD2-CH2 3.44Å; Y84-W115 VanDerWaalsContact CD2-CH2 3.44Å; Y84-W115 AromaticContact CD2-CZ3 3.78Å; Y84-W115 HydrophobicContact CD2-CZ3 3.78Å; Y84-W115 AromaticContact CE2-CH2 3.62Å; Y84-W115 HydrophobicContact CE2-CH2 3.62Å; Y84-W115 HydrophobicContact CE2-CZ3 4.2Å; Y84-W115 HydrophobicContact CG-CZ3 4.46Å
85R98.6Very high97.8Very high83 Ų8340.3 Ų40.331%0.31321%0.214SC..Hα-helixtrans-59.5-44.2168.9-68-172.4-164.7-72.9-0.5111.1L81 E82 A89 E114 F118L81-R85 WeakPolarHBondContact O-CG 3.28Å; L81-R85 PolarHBondContact O-N 3.42Å; E82-R85 VanDerWaalsContact OE1-CD 3.3Å; E82-R85 WeakPolarHBondContact OE1-CD 3.37Å; E82-R85 IonicContact OE1-NE 2.98Å; E82-R85 PolarHBondContact OE1-NE 3.5Å; R85-A89 WeakPolarHBondContact O-CB 3.46Å; R85-A89 PolarHBondContact O-N 2.85Å; R85-E114 IonicContact NH2-OE1 2.78Å; R85-E114 PolarHBondContact NH2-OE1 3.44Å; R85-F118 HydrophobicContact CB-CE2 4.48Å; R85-F118 HydrophobicContact CG-CD2 4.11Å; R85-F118 HydrophobicContact CG-CE2 3.73Å
86R98.5Very high97.3Very high98 Ų9844.6 Ų44.637%0.3725%0.25SC..Hα-helixtrans-63.1-44.8173.7-74.2175.2-71.6-178.21.7111.8D47 L50 E82 F83 Y84 V88 A89 L90D47-R86 VanDerWaalsContact CG-NH1 3.29Å; D47-R86 IonicContact OD1-CZ 3.87Å; D47-R86 IonicContact OD1-NE 2.79Å; D47-R86 IonicContact OD1-NH1 3.69Å; D47-R86 PolarHBondContact OD1-NH1 3.36Å; D47-R86 IonicContact OD2-NH1 2.72Å; D47-R86 PolarHBondContact OD2-NH1 3.02Å; L50-R86 HydrophobicContact CD2-CB 4.37Å; E82-R86 WeakPolarHBondContact O-CG 3.47Å; E82-R86 PolarHBondContact O-N 3.3Å; E82-R86 PolarHBondContact O-NE 3.37Å; F83-R86 WeakPolarHBondContact O-CB 3.41Å; F83-R86 PolarHBondContact O-N 3.04Å; Y84-R86 VanDerWaalsContact C-N 3.33Å; Y84-R86 PolarHBondContact O-N 3.42Å; R86-V88 PolarHBondContact O-N 2.96Å; R86-A89 PolarHBondContact O-N 3.07Å; R86-L90 WeakPolarHBondContact O-CB 3.39Å; R86-L90 WeakPolarHBondContact O-CG 3.35Å; R86-L90 PolarHBondContact O-N 2.93Å
87A98.6Very high96.8Very high0 Ų048.6 Ų48.60%029%0.291CS..Hα-helixtrans-57.6-48.3177.800000111.9L50 I54 W71 F83 Y84 A89 L90 Q91L50-A87 HydrophobicContact CD1-CB 4.16Å; L50-A87 HydrophobicContact CD2-CB 4.32Å; I54-A87 HydrophobicContact CD1-CB 4.07Å; I54-A87 WeakPolarHBondContact CD1-O 3.42Å; W71-A87 HydrophobicContact CH2-CB 3.88Å; W71-A87 HydrophobicContact CZ2-CB 3.87Å; F83-A87 PolarHBondContact O-N 3.15Å; Y84-A87 PolarHBondContact O-N 2.94Å; A87-A89 PolarHBondContact O-N 3.33Å; A87-L90 PolarHBondContact O-N 3.04Å; A87-Q91 VanDerWaalsContact O-CG 3.27Å; A87-Q91 WeakPolarHBondContact O-CG 3.22Å; A87-Q91 PolarHBondContact O-N 3.16Å
88V98.2Very high96.6Very high25 Ų2550.4 Ų50.415%0.15230%0.298CS..Hα-helixtrans-63.6-40.3177.1172.90000111.7Y84 R86 L90 Q91 A92 F118 F124Y84-V88 WeakPolarHBondContact O-CG2 3.48Å; Y84-V88 PolarHBondContact O-N 3.48Å; R86-V88 PolarHBondContact O-N 2.96Å; V88-L90 PolarHBondContact O-N 3.05Å; V88-Q91 WeakPolarHBondContact O-CB 3.38Å; V88-Q91 PolarHBondContact O-N 2.84Å; V88-A92 PolarHBondContact O-N 3Å; V88-F118 HydrophobicContact CG2-CZ 4Å; V88-F124 HydrophobicContact CG2-CE2 3.87Å; V88-F124 HydrophobicContact CG2-CZ 4.07Å
89A97.9Very high96.4Very high61 Ų6153.5 Ų53.550%0.50431%0.308SS..Hα-helixtrans-62.6-41.2176.100000112.3R85 R86 A87 A92 K93R85-A89 WeakPolarHBondContact O-CB 3.46Å; R85-A89 PolarHBondContact O-N 2.85Å; R86-A89 PolarHBondContact O-N 3.07Å; A87-A89 PolarHBondContact O-N 3.33Å; A89-A92 PolarHBondContact O-N 2.89Å; A89-K93 WeakPolarHBondContact O-CB 3.42Å; A89-K93 PolarHBondContact O-N 2.87Å
90L98.5Very high96.4Very high24 Ų2453.9 Ų53.913%0.12631%0.31CS..Hα-helixtrans-66.9-41175.2-71.1166.2000111.6L50 E51 I54 R86 A87 V88 A92 K93 Y94L50-L90 HydrophobicContact CD2-CD1 4.04Å; L50-L90 HydrophobicContact CG-CD1 3.9Å; E51-L90 HydrophobicContact CB-CD1 4.11Å; E51-L90 HydrophobicContact CB-CD2 4.1Å; E51-L90 HydrophobicContact CG-CD2 3.92Å; I54-L90 HydrophobicContact CB-CB 4.45Å; I54-L90 HydrophobicContact CD1-CB 3.68Å; I54-L90 HydrophobicContact CD1-CD1 4.01Å; I54-L90 HydrophobicContact CG2-CB 4.09Å; R86-L90 WeakPolarHBondContact O-CB 3.39Å; R86-L90 WeakPolarHBondContact O-CG 3.35Å; R86-L90 PolarHBondContact O-N 2.93Å; A87-L90 PolarHBondContact O-N 3.04Å; V88-L90 PolarHBondContact O-N 3.05Å; L90-A92 VanDerWaalsContact C-N 3.33Å; L90-A92 PolarHBondContact O-N 2.77Å; L90-K93 HydrophobicContact CD2-CD 4.43Å; L90-K93 PolarHBondContact O-N 2.83Å; L90-Y94 HydrophobicContact CD2-CE2 3.97Å; L90-Y94 VanDerWaalsContact O-CD2 3.28Å; L90-Y94 WeakPolarHBondContact O-CD2 3.41Å; L90-Y94 PolarHBondContact O-N 2.84Å
91Q98.2Very high96.4Very high6 Ų654.3 Ų54.33%0.02831%0.309CS..Hα-helixtrans-59.7-43.4173.8-73.6168.7-2.500111.3I54 F69 A87 V88 G95 I100 N102I54-Q91 HydrophobicContact CD1-CG 4.33Å; I54-Q91 HydrophobicContact CG2-CG 3.99Å; F69-Q91 HydrophobicContact CD2-CG 4.15Å; F69-Q91 VanDerWaalsContact CD2-NE2 3.31Å; F69-Q91 HydrophobicContact CE2-CG 3.82Å; F69-Q91 VanDerWaalsContact CG-NE2 3.26Å; F69-Q91 HydrophobicContact CZ-CG 4.09Å; A87-Q91 VanDerWaalsContact O-CG 3.27Å; A87-Q91 WeakPolarHBondContact O-CG 3.22Å; A87-Q91 PolarHBondContact O-N 3.16Å; V88-Q91 WeakPolarHBondContact O-CB 3.38Å; V88-Q91 PolarHBondContact O-N 2.84Å; Q91-G95 VanDerWaalsContact O-CA 3.24Å; Q91-G95 WeakPolarHBondContact O-CA 3.25Å; Q91-G95 PolarHBondContact O-N 2.72Å; Q91-I100 HydrophobicContact CB-CD1 4.07Å; Q91-I100 HydrophobicContact CB-CG2 4.39Å; Q91-I100 HydrophobicContact CG-CG2 4.37Å; Q91-I100 WeakPolarHBondContact O-CD1 3.5Å; Q91-N102 PolarHBondContact NE2-OD1 2.83Å; Q91-N102 PolarHBondContact OE1-ND2 3.48Å; Q91-N102 PolarHBondContact OE1-OD1 3.13Å
92A96.8Very high96.5Very high76 Ų7654.2 Ų54.263%0.62831%0.308SS*.Hα-helixtrans-64.7-43.8175.600000112V88 A89 L90V88-A92 PolarHBondContact O-N 3Å; A89-A92 PolarHBondContact O-N 2.89Å; L90-A92 VanDerWaalsContact C-N 3.33Å; L90-A92 PolarHBondContact O-N 2.77Å
93K97.2Very high96.5Very high126 Ų12650.3 Ų50.355%0.54829%0.293SS..Hα-helixtrans-58.9-49.6178176.4-173.9174-172.50112.2E51 A89 L90E51-K93 IonicContact OE1-NZ 3.5Å; E51-K93 PolarHBondContact OE1-NZ 2.91Å; A89-K93 WeakPolarHBondContact O-CB 3.42Å; A89-K93 PolarHBondContact O-N 2.87Å; L90-K93 HydrophobicContact CD2-CD 4.43Å; L90-K93 PolarHBondContact O-N 2.83Å
94Y97.6Very high96.5Very high63 Ų6350.2 Ų50.225%0.24729%0.293CS..Hα-helixtrans-89.8-24.5-174.6-70.4-64.7000113.8E51 I54 R55 I58 L90 A96E51-Y94 HydrophobicContact CG-CE2 3.86Å; E51-Y94 VanDerWaalsContact OE1-CE2 3.3Å; E51-Y94 WeakPolarHBondContact OE1-CE2 3.48Å; E51-Y94 VanDerWaalsContact OE1-CZ 3.28Å; E51-Y94 PolarHBondContact OE1-OH 2.97Å; I54-Y94 HydrophobicContact CG2-CD2 4.38Å; R55-Y94 HydrophobicContact CB-CD1 4.21Å; R55-Y94 HydrophobicContact CB-CD2 4.09Å; R55-Y94 HydrophobicContact CB-CE1 4.19Å; R55-Y94 HydrophobicContact CB-CE2 4.08Å; R55-Y94 HydrophobicContact CB-CG 4.16Å; R55-Y94 HydrophobicContact CG-CD1 3.8Å; R55-Y94 HydrophobicContact CG-CE1 3.7Å; R55-Y94 HydrophobicContact CG-CE2 4.48Å; R55-Y94 HydrophobicContact CG-CG 4.24Å; I58-Y94 WeakPolarHBondContact CG2-O 3.33Å; L90-Y94 HydrophobicContact CD2-CE2 3.97Å; L90-Y94 VanDerWaalsContact O-CD2 3.28Å; L90-Y94 WeakPolarHBondContact O-CD2 3.41Å; L90-Y94 PolarHBondContact O-N 2.84Å; Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.47Å
95G95.9Very high96.5Very high4 Ų452.8 Ų52.84%0.04131%0.305CS..Hα-helixtrans-68.5-27.9-177.400000113.8Q91 G97 R98Q91-G95 VanDerWaalsContact O-CA 3.24Å; Q91-G95 WeakPolarHBondContact O-CA 3.25Å; Q91-G95 PolarHBondContact O-N 2.72Å; G95-G97 PolarHBondContact O-N 3.21Å; G95-G97 VanDerWaalsContact O-N 3.07Å; G95-R98 VanDerWaalsContact O-CB 3.28Å; G95-R98 WeakPolarHBondContact O-CB 3.15Å; G95-R98 WeakPolarHBondContact O-CG 3.46Å; G95-R98 PolarHBondContact O-N 2.89Å
96A87.4Confident96.5Very high94 Ų9449 Ų4978%0.77729%0.291SS*.THydrogen-bonded Turntrans4642.4173.500000114.6Y94Y94-A96 VanDerWaalsContact C-N 3.32Å; Y94-A96 PolarHBondContact O-N 3.47Å
97G87.5Confident96.5Very high85 Ų8544.6 Ų44.688%0.87628%0.275SS*.THydrogen-bonded Turntrans903.1179.400000115.7G95G95-G97 PolarHBondContact O-N 3.21Å; G95-G97 VanDerWaalsContact O-N 3.07Å
98R92.8Very high96.5Very high43 Ų4344.6 Ų44.616%0.16228%0.275CS..  trans-69.1154.9171.7-67-160.2-23.5-169.7-5.5112.5I58 S61 G95 I100I58-R98 VanDerWaalsContact CA-NH2 3.26Å; I58-R98 PolarHBondContact O-NH1 2.83Å; I58-R98 PolarHBondContact O-NH2 2.82Å; S61-R98 PolarHBondContact O-NH1 2.84Å; G95-R98 VanDerWaalsContact O-CB 3.28Å; G95-R98 WeakPolarHBondContact O-CB 3.15Å; G95-R98 WeakPolarHBondContact O-CG 3.46Å; G95-R98 PolarHBondContact O-N 2.89Å; R98-I100 PolarHBondContact O-N 3.29Å
99K94.6Very high96.5Very high139 Ų13944.3 Ų44.360%0.60427%0.273SS*.  trans-70.4115.8170-169.1-177.1178.7-153.90109.5E66 V67E66-K99 WeakPolarHBondContact CA-O 3.34Å; E66-K99 HydrophobicContact CB-CB 4.47Å; E66-K99 HydrophobicContact CB-CD 4.12Å; E66-K99 HydrophobicContact CB-CG 4.36Å; E66-K99 HydrophobicContact CG-CD 4.1Å; E66-K99 HydrophobicContact CG-CG 4.07Å; E66-K99 IonicContact OE1-NZ 3Å; E66-K99 WeakPolarHBondContact OE2-CE 3.3Å; E66-K99 IonicContact OE2-NZ 3.9Å; E66-K99 PolarHBondContact OE2-NZ 3Å; V67-K99 PolarHBondContact N-O 3.18Å
100I96.5Very high96.5Very high46 Ų4644.7 Ų44.724%0.23627%0.266CS..EExtended strand (participates in β ladder)trans-122136.7176.6-66.3177.2000107.9I58 V67 F69 Q91 R98I58-I100 HydrophobicContact CD1-CD1 3.98Å; V67-I100 WeakPolarHBondContact O-CA 3.3Å; F69-I100 HydrophobicContact CD2-CG2 3.77Å; F69-I100 HydrophobicContact CE2-CG2 3.93Å; Q91-I100 HydrophobicContact CB-CD1 4.07Å; Q91-I100 HydrophobicContact CB-CG2 4.39Å; Q91-I100 HydrophobicContact CG-CG2 4.37Å; Q91-I100 WeakPolarHBondContact O-CD1 3.5Å; R98-I100 PolarHBondContact O-N 3.29Å
101S97.1Very high96.5Very high35 Ų3543.6 Ų43.625%0.24526%0.261CS..EExtended strand (participates in β ladder)trans-126.5156.4170.451.30000110.6E66 V67 F69E66-S101 WeakPolarHBondContact OE1-CB 3.38Å; E66-S101 PolarHBondContact OE1-OG 2.85Å; V67-S101 PolarHBondContact O-N 3.43Å; V67-S101 VanDerWaalsContact O-N 3.09Å; F69-S101 PolarHBondContact N-O 2.98Å
102N98.5Very high96.5Very high12 Ų1246.8 Ų46.86%0.06428%0.278CS..EExtended strand (participates in β ladder)trans-125.4134176.8-73.3-83.7000109.5F69 W71 Q91 F124 L125F69-N102 WeakPolarHBondContact CB-OD1 3.48Å; F69-N102 CarbonylContact O-C 3.52Å; F69-N102 VanDerWaalsContact O-CA 3.31Å; F69-N102 WeakPolarHBondContact O-CA 3.46Å; W71-N102 PolarHBondContact NE1-OD1 2.84Å; Q91-N102 PolarHBondContact NE2-OD1 2.83Å; Q91-N102 PolarHBondContact OE1-ND2 3.48Å; Q91-N102 PolarHBondContact OE1-OD1 3.13Å; N102-F124 HydrophobicContact CB-CD1 3.67Å; N102-F124 HydrophobicContact CB-CD2 3.62Å; N102-F124 HydrophobicContact CB-CE1 3.52Å; N102-F124 HydrophobicContact CB-CE2 3.45Å; N102-F124 VanDerWaalsContact CB-CE2 3.45Å; N102-F124 HydrophobicContact CB-CG 3.72Å; N102-F124 HydrophobicContact CB-CZ 3.39Å; N102-F124 VanDerWaalsContact CG-CZ 3.43Å; N102-F124 WeakPolarHBondContact O-CA 3.41Å; N102-L125 PolarHBondContact O-N 3.34Å
103S98.2Very high96.6Very high32 Ų3246.6 Ų46.622%0.22427%0.267CS..EExtended strand (participates in β ladder)trans-123.3149.7164.363.90000111.3F69 T70 W71 L125F69-S103 PolarHBondContact O-N 2.95Å; T70-S103 CarbonylContact C-O 3.53Å; T70-S103 WeakPolarHBondContact CA-O 3.45Å; T70-S103 WeakPolarHBondContact CB-OG 3.33Å; T70-S103 WeakPolarHBondContact CG2-OG 3.06Å; T70-S103 PolarHBondContact OG1-OG 2.83Å; W71-S103 VanDerWaalsContact CD1-O 3.29Å; W71-S103 PolarHBondContact N-O 3.23Å; S103-L125 CarbonylContact C-O 3.58Å; S103-L125 WeakPolarHBondContact CA-O 3.44Å; S103-L125 WeakPolarHBondContact CB-O 3.26Å
104F98.6Very high96.7Very high3 Ų345.8 Ų45.81%0.01326%0.264CS..EExtended strand (participates in β ladder)trans-142.3115-167.8-173.1-87.8000110.5W71 P76 T77 Y84 T106 W115 F124 L125 V126 G127W71-F104 HydrophobicContact CB-CD2 3.66Å; W71-F104 HydrophobicContact CB-CE2 4.22Å; W71-F104 HydrophobicContact CG-CD2 4.2Å; W71-F104 WeakPolarHBondContact O-CA 3.38Å; P76-F104 HydrophobicContact CB-CE2 3.72Å; P76-F104 HydrophobicContact CB-CZ 3.7Å; P76-F104 HydrophobicContact CG-CE1 4.01Å; P76-F104 HydrophobicContact CG-CE2 3.96Å; P76-F104 HydrophobicContact CG-CZ 3.64Å; T77-F104 HydrophobicContact CG2-CE1 3.56Å; T77-F104 HydrophobicContact CG2-CZ 3.58Å; Y84-F104 HydrophobicContact CD1-CD2 4.48Å; Y84-F104 HydrophobicContact CD1-CE2 4.14Å; Y84-F104 HydrophobicContact CD2-CE2 4.45Å; Y84-F104 HydrophobicContact CE1-CD2 4.07Å; Y84-F104 AromaticContact CE1-CE2 3.57Å; Y84-F104 HydrophobicContact CE1-CE2 3.57Å; Y84-F104 AromaticContact CE2-CE2 3.92Å; Y84-F104 HydrophobicContact CE2-CE2 3.92Å; Y84-F104 HydrophobicContact CE2-CZ 4.4Å; Y84-F104 AromaticContact CZ-CE2 3.46Å; Y84-F104 VanDerWaalsContact CZ-CE2 3.46Å; F104-T106 HydrophobicContact CD1-CG2 4.11Å; F104-T106 HydrophobicContact CE1-CG2 4.11Å; F104-W115 HydrophobicContact CE2-CZ3 4.46Å; F104-W115 HydrophobicContact CZ-CH2 4.36Å; F104-W115 HydrophobicContact CZ-CZ3 4.11Å; F104-F124 HydrophobicContact CB-CD1 3.83Å; F104-F124 HydrophobicContact CB-CE1 4.44Å; F104-F124 HydrophobicContact CD2-CD1 4.45Å; F104-F124 HydrophobicContact CD2-CE1 4.37Å; F104-F124 HydrophobicContact CG-CD1 4.46Å; F104-L125 PolarHBondContact N-O 3.14Å; F104-V126 CarbonylContact O-C 3.51Å; F104-V126 WeakPolarHBondContact O-CA 3.32Å; F104-G127 PolarHBondContact O-N 3.08Å
105Q98.6Very high96.8Very high53 Ų5343.5 Ų43.525%0.24826%0.256CS..EExtended strand (participates in β ladder)trans-99.3127.5-179.3-165.3-179.97900110.2W71 Q72 P76 G127 L170W71-Q105 PolarHBondContact O-N 3.3Å; Q72-Q105 HydrophobicContact CB-CB 4.39Å; Q72-Q105 HydrophobicContact CG-CB 3.66Å; Q72-Q105 VanDerWaalsContact NE2-NE2 3.16Å; Q72-Q105 VanDerWaalsContact OE1-OE1 3.1Å; P76-Q105 WeakPolarHBondContact CD-O 3.39Å; P76-Q105 WeakPolarHBondContact CG-O 3.32Å; Q105-G127 WeakPolarHBondContact CA-O 3.46Å; Q105-L170 HydrophobicContact CG-CD2 4.45Å
106T98.8Very high96.9Very high3 Ų343.3 Ų43.32%0.01825%0.254CS..EExtended strand (participates in β ladder)trans-144.4153.3-174-178.80000111.8E75 F104 G108 L111 V126 G127 L128 S129E75-T106 VanDerWaalsContact CD-OG1 3.32Å; E75-T106 WeakPolarHBondContact OE1-CB 3.26Å; E75-T106 PolarHBondContact OE1-OG1 2.84Å; E75-T106 PolarHBondContact OE2-OG1 3.48Å; F104-T106 HydrophobicContact CD1-CG2 4.11Å; F104-T106 HydrophobicContact CE1-CG2 4.11Å; T106-G108 PolarHBondContact OG1-N 3.34Å; T106-L111 HydrophobicContact CG2-CD1 4.14Å; T106-V126 HydrophobicContact CG2-CG1 4Å; T106-G127 PolarHBondContact N-O 2.84Å; T106-L128 HydrophobicContact CG2-CD1 4.48Å; T106-S129 PolarHBondContact O-N 3.42Å
107N98.5Very high97.4Very high7 Ų740.9 Ų40.94%0.03723%0.233CC..  trans-75.7-11164.772.249.2000113.2N22 L23 E75 V109 V153N22-N107 PolarHBondContact OD1-ND2 3.2Å; L23-N107 HydrophobicContact CD1-CB 3.67Å; L23-N107 HydrophobicContact CG-CB 4.44Å; E75-N107 WeakPolarHBondContact CG-ND2 3.46Å; E75-N107 PolarHBondContact OE2-N 3.33Å; E75-N107 PolarHBondContact OE2-ND2 2.82Å; N107-V109 VanDerWaalsContact C-N 3.27Å; N107-V109 PolarHBondContact O-N 2.91Å; N107-V109 VanDerWaalsContact OD1-CB 3.26Å; N107-V109 WeakPolarHBondContact OD1-CB 3.47Å; N107-V109 WeakPolarHBondContact OD1-CG2 3.46Å; N107-V109 PolarHBondContact OD1-N 3.44Å; N107-V153 WeakPolarHBondContact O-CG2 3.03Å
108G98.5Very high98Very high0 Ų037 Ų370%019%0.192CC..  trans80.5-11.6172.300000115.8T106 L110 L111 A156T106-G108 PolarHBondContact OG1-N 3.34Å; G108-L110 PolarHBondContact O-N 3.46Å; G108-L110 VanDerWaalsContact O-N 3.14Å; G108-L111 WeakPolarHBondContact O-CB 3.34Å; G108-L111 PolarHBondContact O-N 2.89Å; G108-A156 WeakPolarHBondContact O-CB 3.49Å
109V98.4Very high98.3Very high18 Ų1835 Ų3511%0.10919%0.185CC..THydrogen-bonded Turntrans-61.3-31.4-170.1170.30000113.2L23 N107 L152 V153 R155L23-V109 HydrophobicContact CD1-CG2 4.43Å; L23-V109 HydrophobicContact CD2-CG2 4.21Å; N107-V109 VanDerWaalsContact C-N 3.27Å; N107-V109 PolarHBondContact O-N 2.91Å; N107-V109 VanDerWaalsContact OD1-CB 3.26Å; N107-V109 WeakPolarHBondContact OD1-CB 3.47Å; N107-V109 WeakPolarHBondContact OD1-CG2 3.46Å; N107-V109 PolarHBondContact OD1-N 3.44Å; V109-L152 HydrophobicContact CG1-CB 4.37Å; V109-L152 HydrophobicContact CG1-CD1 3.94Å; V109-L152 HydrophobicContact CG2-CB 3.99Å; V109-L152 HydrophobicContact CG2-CD1 4.32Å; V109-V153 HydrophobicContact CG2-CG2 4.48Å; V109-R155 PolarHBondContact O-NH2 2.72Å
110L98.3Very high98.5Very high69 Ų6929.7 Ų29.736%0.36117%0.167SC..THydrogen-bonded Turntrans-94.6-0.4-179.5-61.7179.3000113.8L78 G108 D112L78-L110 HydrophobicContact CD2-CD1 3.72Å; L78-L110 HydrophobicContact CG-CD1 4.42Å; G108-L110 PolarHBondContact O-N 3.46Å; G108-L110 VanDerWaalsContact O-N 3.14Å; L110-D112 PolarHBondContact O-N 3.05Å
111L98.7Very high98.6Very high1 Ų133.7 Ų33.71%0.00519%0.185CC..  trans-68.3133.4175.9-61.4-175.3000110.6T77 T106 G108 W115 L119 A156 L159 L160T77-L111 HydrophobicContact CG2-CD2 3.93Å; T106-L111 HydrophobicContact CG2-CD1 4.14Å; G108-L111 WeakPolarHBondContact O-CB 3.34Å; G108-L111 PolarHBondContact O-N 2.89Å; L111-W115 HydrophobicContact CD2-CB 3.89Å; L111-W115 HydrophobicContact CD2-CD2 4.3Å; L111-W115 HydrophobicContact CD2-CE3 4.47Å; L111-W115 HydrophobicContact CD2-CG 4.09Å; L111-L119 HydrophobicContact CD2-CD1 4.16Å; L111-A156 HydrophobicContact CB-CB 4.28Å; L111-A156 HydrophobicContact CD1-CB 4.24Å; L111-L159 VanDerWaalsContact O-CD1 3.32Å; L111-L159 WeakPolarHBondContact O-CD1 3.22Å; L111-L160 HydrophobicContact CD1-CD1 4.29Å; L111-L160 HydrophobicContact CD1-CD2 4.06Å; L111-L160 HydrophobicContact CD1-CG 4.2Å
112D98.7Very high98.6Very high74 Ų7434.8 Ų34.840%0.39619%0.186SC..  trans-133.4-175.1173.262.122.3000110.2L110 E114 W115 C116L110-D112 PolarHBondContact O-N 3.05Å; D112-E114 VanDerWaalsContact C-N 3.3Å; D112-E114 PolarHBondContact O-N 3.38Å; D112-E114 PolarHBondContact OD1-N 3.14Å; D112-E114 VanDerWaalsContact OD1-N 3.07Å; D112-W115 PolarHBondContact O-N 2.98Å; D112-W115 PolarHBondContact OD1-N 3.4Å; D112-C116 PolarHBondContact O-N 3.12Å; D112-C116 PolarHBondContact O-SG 3.47Å
113D98.8Very high98.6Very high72 Ų7241.2 Ų41.239%0.38522%0.215SC..Hα-helixtrans-62-34179.8-80-82.3000113.3A117 K162 H163D113-A117 VanDerWaalsContact O-CB 3.26Å; D113-A117 WeakPolarHBondContact O-CB 3.14Å; D113-A117 PolarHBondContact O-N 3.4Å; D113-K162 IonicContact OD1-NZ 3Å; D113-K162 PolarHBondContact OD1-NZ 2.84Å; D113-K162 IonicContact OD2-NZ 3.07Å; D113-H163 IonicContact OD1-CD2 3.72Å; D113-H163 IonicContact OD1-CE1 2.72Å; D113-H163 IonicContact OD1-NE2 2.57Å; D113-H163 PolarHBondContact OD1-NE2 3.28Å
114E98.7Very high98.6Very high108 Ų10839.7 Ų39.751%0.50521%0.205SC..Hα-helixtrans-71.5-43-179.9-163.1-170.1163.100110.6L81 R85 D112 A117 F118L81-E114 HydrophobicContact CD1-CB 3.92Å; L81-E114 VanDerWaalsContact CD1-CD 3.5Å; L81-E114 HydrophobicContact CD1-CG 3.53Å; R85-E114 IonicContact NH2-OE1 2.78Å; R85-E114 PolarHBondContact NH2-OE1 3.44Å; D112-E114 VanDerWaalsContact C-N 3.3Å; D112-E114 PolarHBondContact O-N 3.38Å; D112-E114 PolarHBondContact OD1-N 3.14Å; D112-E114 VanDerWaalsContact OD1-N 3.07Å; E114-A117 PolarHBondContact O-N 2.98Å; E114-F118 PolarHBondContact O-N 2.99Å
115W98.7Very high98.6Very high16 Ų1642.9 Ų42.96%0.06122%0.221CC..Hα-helixtrans-58-51.5173.4-89.6103.8000112T77 L81 Y84 F104 L111 D112 A117 F118 L119T77-W115 HydrophobicContact CG2-CH2 4.18Å; T77-W115 HydrophobicContact CG2-CZ2 4.15Å; T77-W115 HydrophobicContact CG2-CZ3 4.39Å; L81-W115 HydrophobicContact CD1-CD2 4.33Å; L81-W115 HydrophobicContact CD1-CG 4.25Å; L81-W115 HydrophobicContact CD2-CD2 3.63Å; L81-W115 HydrophobicContact CD2-CE3 3.37Å; L81-W115 HydrophobicContact CD2-CG 4.24Å; L81-W115 HydrophobicContact CD2-CH2 4.21Å; L81-W115 HydrophobicContact CD2-CZ2 4.42Å; L81-W115 HydrophobicContact CD2-CZ3 3.69Å; L81-W115 HydrophobicContact CG-CD2 3.68Å; L81-W115 HydrophobicContact CG-CE3 3.95Å; L81-W115 HydrophobicContact CG-CG 4.11Å; L81-W115 HydrophobicContact CG-CH2 4.35Å; L81-W115 HydrophobicContact CG-CZ2 4.11Å; L81-W115 HydrophobicContact CG-CZ3 4.27Å; Y84-W115 AromaticContact CD2-CH2 3.44Å; Y84-W115 HydrophobicContact CD2-CH2 3.44Å; Y84-W115 VanDerWaalsContact CD2-CH2 3.44Å; Y84-W115 AromaticContact CD2-CZ3 3.78Å; Y84-W115 HydrophobicContact CD2-CZ3 3.78Å; Y84-W115 AromaticContact CE2-CH2 3.62Å; Y84-W115 HydrophobicContact CE2-CH2 3.62Å; Y84-W115 HydrophobicContact CE2-CZ3 4.2Å; Y84-W115 HydrophobicContact CG-CZ3 4.46Å; F104-W115 HydrophobicContact CE2-CZ3 4.46Å; F104-W115 HydrophobicContact CZ-CH2 4.36Å; F104-W115 HydrophobicContact CZ-CZ3 4.11Å; L111-W115 HydrophobicContact CD2-CB 3.89Å; L111-W115 HydrophobicContact CD2-CD2 4.3Å; L111-W115 HydrophobicContact CD2-CE3 4.47Å; L111-W115 HydrophobicContact CD2-CG 4.09Å; D112-W115 PolarHBondContact O-N 2.98Å; D112-W115 PolarHBondContact OD1-N 3.4Å; W115-A117 VanDerWaalsContact C-N 3.33Å; W115-A117 PolarHBondContact O-N 3.3Å; W115-F118 PolarHBondContact O-N 3.05Å; W115-L119 WeakPolarHBondContact O-CG 3.08Å; W115-L119 PolarHBondContact O-N 3.07Å
116C98.9Very high98.6Very high0 Ų040.4 Ų40.40%021%0.21CC..Hα-helixtrans-66.1-36.4-177.7-68.90000112.3D112 L119 A120 H163 V165D112-C116 PolarHBondContact O-N 3.12Å; D112-C116 PolarHBondContact O-SG 3.47Å; C116-L119 PolarHBondContact O-N 2.89Å; C116-A120 WeakPolarHBondContact O-CB 3.32Å; C116-A120 PolarHBondContact O-N 3.08Å; C116-H163 HydrophobicContact CB-CB 3.83Å; C116-H163 VanDerWaalsContact CB-CD2 3.44Å; C116-H163 WeakPolarHBondContact CB-CD2 3.35Å; C116-V165 HydrophobicContact CB-CG2 4.24Å; C116-V165 VanDerWaalsContact O-CG2 3.3Å; C116-V165 WeakPolarHBondContact O-CG2 3.33Å
117A98.8Very high98.6Very high42 Ų4240.8 Ų40.835%0.34721%0.214SC..Hα-helixtrans-62-45.2173.400000111.9D113 E114 W115 A120 E121D113-A117 VanDerWaalsContact O-CB 3.26Å; D113-A117 WeakPolarHBondContact O-CB 3.14Å; D113-A117 PolarHBondContact O-N 3.4Å; E114-A117 PolarHBondContact O-N 2.98Å; W115-A117 VanDerWaalsContact C-N 3.33Å; W115-A117 PolarHBondContact O-N 3.3Å; A117-A120 PolarHBondContact O-N 3.29Å; A117-E121 VanDerWaalsContact O-CB 3.32Å; A117-E121 WeakPolarHBondContact O-CB 3.21Å; A117-E121 PolarHBondContact O-N 2.93Å
118F98.8Very high98.6Very high3 Ų340.4 Ų40.41%0.01321%0.212CC..Hα-helixtrans-61.7-45.7176170.9-92.3000112.3L81 R85 V88 E114 W115 A120 E121 H122 F124L81-F118 HydrophobicContact CD2-CB 3.63Å; L81-F118 HydrophobicContact CD2-CD1 3.56Å; L81-F118 HydrophobicContact CD2-CD2 4.22Å; L81-F118 HydrophobicContact CD2-CE1 4.3Å; L81-F118 HydrophobicContact CD2-CG 3.52Å; R85-F118 HydrophobicContact CB-CE2 4.48Å; R85-F118 HydrophobicContact CG-CD2 4.11Å; R85-F118 HydrophobicContact CG-CE2 3.73Å; V88-F118 HydrophobicContact CG2-CZ 4Å; E114-F118 PolarHBondContact O-N 2.99Å; W115-F118 PolarHBondContact O-N 3.05Å; F118-A120 VanDerWaalsContact C-N 3.33Å; F118-A120 PolarHBondContact O-N 3.15Å; F118-E121 PolarHBondContact O-N 3.45Å; F118-H122 AromaticContact CD2-CD2 3.37Å; F118-H122 WeakPolarHBondContact CD2-CD2 3.4Å; F118-H122 AromaticContact CD2-NE2 3.74Å; F118-H122 AromaticContact CE2-CD2 3.16Å; F118-H122 WeakPolarHBondContact CE2-CD2 3.27Å; F118-H122 AromaticContact CE2-NE2 3.48Å; F118-H122 WeakPolarHBondContact CE2-NE2 3.42Å; F118-H122 AromaticContact CZ-CD2 3.7Å; F118-H122 PolarHBondContact O-CD2 3.27Å; F118-H122 PolarHBondContact O-N 2.98Å; F118-H122 VanDerWaalsContact O-N 3.07Å; F118-F124 HydrophobicContact CE1-CE2 4.24Å; F118-F124 HydrophobicContact CE1-CZ 4.25Å; F118-F124 HydrophobicContact CZ-CE2 4.5Å
119L98.8Very high98.7Very high1 Ų141 Ų411%0.00522%0.216CC..Hα-helixtrans-63-40.3179.9-67.3165.1000111.3L111 W115 C116 H123 F124 V126 V165L111-L119 HydrophobicContact CD2-CD1 4.16Å; W115-L119 WeakPolarHBondContact O-CG 3.08Å; W115-L119 PolarHBondContact O-N 3.07Å; C116-L119 PolarHBondContact O-N 2.89Å; L119-H123 PolarHBondContact O-N 3.22Å; L119-H123 VanDerWaalsContact O-N 3.13Å; L119-F124 HydrophobicContact CB-CB 4.19Å; L119-F124 HydrophobicContact CD2-CB 3.57Å; L119-F124 HydrophobicContact CD2-CD1 3.63Å; L119-F124 HydrophobicContact CD2-CE1 4.47Å; L119-F124 HydrophobicContact CD2-CG 3.7Å; L119-F124 PolarHBondContact O-N 3.37Å; L119-V126 HydrophobicContact CB-CG2 4.45Å; L119-V126 HydrophobicContact CD1-CG2 3.91Å; L119-V126 HydrophobicContact CD2-CG2 4.27Å; L119-V126 HydrophobicContact CG-CG2 4.44Å; L119-V165 HydrophobicContact CB-CG1 4.02Å; L119-V165 HydrophobicContact CB-CG2 4.2Å
120A98.7Very high98.7Very high28 Ų2840.1 Ų40.123%0.23121%0.211CC..Hα-helixtrans-67.4-47.6175.500000112.1C116 A117 F118 H122 H123 V165C116-A120 WeakPolarHBondContact O-CB 3.32Å; C116-A120 PolarHBondContact O-N 3.08Å; A117-A120 PolarHBondContact O-N 3.29Å; F118-A120 VanDerWaalsContact C-N 3.33Å; F118-A120 PolarHBondContact O-N 3.15Å; A120-H122 VanDerWaalsContact C-N 3.26Å; A120-H122 PolarHBondContact O-N 2.87Å; A120-H123 PolarHBondContact O-N 3.35Å; A120-H123 VanDerWaalsContact O-N 3.15Å; A120-V165 HydrophobicContact CB-CG2 3.9Å
121E98.5Very high98.7Very high131 Ų13136.8 Ų36.861%0.61219%0.194SC*.Hα-helixtrans-57.6-39.7-179.7-179.3-179.7176.600112A117 F118A117-E121 VanDerWaalsContact O-CB 3.32Å; A117-E121 WeakPolarHBondContact O-CB 3.21Å; A117-E121 PolarHBondContact O-N 2.93Å; F118-E121 PolarHBondContact O-N 3.45Å
122H98.2Very high98.7Very high58 Ų5836.8 Ų36.827%0.26919%0.193SC..THydrogen-bonded Turntrans-98.512.1-178.9-64.5-62.6000114.2F118 A120 F124F118-H122 AromaticContact CD2-CD2 3.37Å; F118-H122 WeakPolarHBondContact CD2-CD2 3.4Å; F118-H122 AromaticContact CD2-NE2 3.74Å; F118-H122 AromaticContact CE2-CD2 3.16Å; F118-H122 WeakPolarHBondContact CE2-CD2 3.27Å; F118-H122 AromaticContact CE2-NE2 3.48Å; F118-H122 WeakPolarHBondContact CE2-NE2 3.42Å; F118-H122 AromaticContact CZ-CD2 3.7Å; F118-H122 PolarHBondContact O-CD2 3.27Å; F118-H122 PolarHBondContact O-N 2.98Å; F118-H122 VanDerWaalsContact O-N 3.07Å; A120-H122 VanDerWaalsContact C-N 3.26Å; A120-H122 PolarHBondContact O-N 2.87Å; H122-F124 VanDerWaalsContact C-N 3.29Å; H122-F124 HydrophobicContact CB-CD2 3.73Å; H122-F124 HydrophobicContact CB-CE2 3.77Å; H122-F124 PolarHBondContact O-N 3.42Å
123H98.3Very high98.7Very high146 Ų14633.5 Ų33.568%0.67618%0.176SC*.THydrogen-bonded Turntrans51.744.5176.3-54.6-66.2000113.6L119 A120L119-H123 PolarHBondContact O-N 3.22Å; L119-H123 VanDerWaalsContact O-N 3.13Å; A120-H123 PolarHBondContact O-N 3.35Å; A120-H123 VanDerWaalsContact O-N 3.15Å
124F98.8Very high98.7Very high1 Ų132.5 Ų32.50%0.00417%0.174CC..EExtended strand (participates in β ladder)trans-73129.9173.7-87.3-124.4000110.1W71 V88 N102 F104 F118 L119 H122 V126W71-F124 AromaticContact CD1-CE1 3.7Å; W71-F124 AromaticContact NE1-CE1 3.8Å; V88-F124 HydrophobicContact CG2-CE2 3.87Å; V88-F124 HydrophobicContact CG2-CZ 4.07Å; N102-F124 HydrophobicContact CB-CD1 3.67Å; N102-F124 HydrophobicContact CB-CD2 3.62Å; N102-F124 HydrophobicContact CB-CE1 3.52Å; N102-F124 HydrophobicContact CB-CE2 3.45Å; N102-F124 VanDerWaalsContact CB-CE2 3.45Å; N102-F124 HydrophobicContact CB-CG 3.72Å; N102-F124 HydrophobicContact CB-CZ 3.39Å; N102-F124 VanDerWaalsContact CG-CZ 3.43Å; N102-F124 WeakPolarHBondContact O-CA 3.41Å; F104-F124 HydrophobicContact CB-CD1 3.83Å; F104-F124 HydrophobicContact CB-CE1 4.44Å; F104-F124 HydrophobicContact CD2-CD1 4.45Å; F104-F124 HydrophobicContact CD2-CE1 4.37Å; F104-F124 HydrophobicContact CG-CD1 4.46Å; F118-F124 HydrophobicContact CE1-CE2 4.24Å; F118-F124 HydrophobicContact CE1-CZ 4.25Å; F118-F124 HydrophobicContact CZ-CE2 4.5Å; L119-F124 HydrophobicContact CB-CB 4.19Å; L119-F124 HydrophobicContact CD2-CB 3.57Å; L119-F124 HydrophobicContact CD2-CD1 3.63Å; L119-F124 HydrophobicContact CD2-CE1 4.47Å; L119-F124 HydrophobicContact CD2-CG 3.7Å; L119-F124 PolarHBondContact O-N 3.37Å; H122-F124 VanDerWaalsContact C-N 3.29Å; H122-F124 HydrophobicContact CB-CD2 3.73Å; H122-F124 HydrophobicContact CB-CE2 3.77Å; H122-F124 PolarHBondContact O-N 3.42Å; F124-V126 PolarHBondContact O-N 3.42Å
125L98.7Very high98.6Very high70 Ų7032.3 Ų32.337%0.36617%0.173SC..EExtended strand (participates in β ladder)trans-81.6112.4167177.262.5000109.6N102 S103 F104 D166N102-L125 PolarHBondContact O-N 3.34Å; S103-L125 CarbonylContact C-O 3.58Å; S103-L125 WeakPolarHBondContact CA-O 3.44Å; S103-L125 WeakPolarHBondContact CB-O 3.26Å; F104-L125 PolarHBondContact N-O 3.14Å; L125-D166 HydrophobicContact CD1-CB 4.12Å
126V98.9Very high98.6Very high0 Ų031.7 Ų31.70%017%0.171CC..EExtended strand (participates in β ladder)trans-90.7130.1-176.9177.90000111.3F104 T106 L119 F124 L160 V165 D166 Y167 N168F104-V126 CarbonylContact O-C 3.51Å; F104-V126 WeakPolarHBondContact O-CA 3.32Å; T106-V126 HydrophobicContact CG2-CG1 4Å; L119-V126 HydrophobicContact CB-CG2 4.45Å; L119-V126 HydrophobicContact CD1-CG2 3.91Å; L119-V126 HydrophobicContact CD2-CG2 4.27Å; L119-V126 HydrophobicContact CG-CG2 4.44Å; F124-V126 PolarHBondContact O-N 3.42Å; V126-L160 HydrophobicContact CB-CD2 4.25Å; V126-L160 HydrophobicContact CG1-CD1 3.98Å; V126-L160 HydrophobicContact CG1-CD2 4.14Å; V126-L160 HydrophobicContact CG2-CD2 4.04Å; V126-V165 HydrophobicContact CB-CG1 4.32Å; V126-V165 HydrophobicContact CG2-CG1 3.58Å; V126-D166 PolarHBondContact N-O 3.01Å; V126-Y167 CarbonylContact O-C 3.53Å; V126-Y167 WeakPolarHBondContact O-CA 3.47Å; V126-Y167 WeakPolarHBondContact O-CB 3.45Å; V126-N168 PolarHBondContact O-N 3.27Å
127G98.8Very high98.6Very high11 Ų1131.7 Ų31.711%0.11317%0.171CC..EExtended strand (participates in β ladder)trans-97.6103.5164.200000110.6F104 Q105 T106 L170F104-G127 PolarHBondContact O-N 3.08Å; Q105-G127 WeakPolarHBondContact CA-O 3.46Å; T106-G127 PolarHBondContact N-O 2.84Å; G127-L170 VanDerWaalsContact C-CD1 3.42Å
128L98.9Very high98.5Very high0 Ų031.6 Ų31.60%016%0.164CC..EExtended strand (participates in β ladder)trans-90.2123.4177-176.867.3000110.5T106 L130 V153 A156 L157 L160 N168 V169 L170T106-L128 HydrophobicContact CG2-CD1 4.48Å; L128-L130 PolarHBondContact O-N 3.05Å; L128-V153 HydrophobicContact CD1-CG1 4.01Å; L128-V153 HydrophobicContact CD2-CG1 4.08Å; L128-V153 HydrophobicContact CG-CG1 4.04Å; L128-A156 HydrophobicContact CD1-CB 4.18Å; L128-L157 HydrophobicContact CD2-CB 3.78Å; L128-L157 HydrophobicContact CD2-CD1 4.2Å; L128-L160 HydrophobicContact CB-CD1 4.26Å; L128-L160 HydrophobicContact CD2-CD1 4.15Å; L128-N168 PolarHBondContact N-O 3.5Å; L128-V169 WeakPolarHBondContact O-CA 3.37Å; L128-L170 PolarHBondContact O-N 3.42Å
129S98.8Very high98.5Very high11 Ų1134.9 Ų34.98%0.07718%0.18CC..EExtended strand (participates in β ladder)trans-79.4113.1175.5-65.30000112.6T106 R141 V153 L170T106-S129 PolarHBondContact O-N 3.42Å; S129-R141 PolarHBondContact OG-NH2 3.09Å; S129-V153 WeakPolarHBondContact O-CG1 3.42Å; S129-L170 WeakPolarHBondContact CA-O 3.4Å
130L98.8Very high98.4Very high0 Ų035.7 Ų35.70%018%0.183CC..  trans-149.4103179.8173.760.8000110.6L128 G132 V153 M154 L157 V169 L170 F187 L188L128-L130 PolarHBondContact O-N 3.05Å; L130-G132 PolarHBondContact O-N 3Å; L130-G132 VanDerWaalsContact O-N 3.13Å; L130-V153 HydrophobicContact CB-CG1 3.97Å; L130-V153 HydrophobicContact CD1-CG1 4.07Å; L130-V153 HydrophobicContact CG-CG1 4.46Å; L130-M154 HydrophobicContact CD1-SD 4.27Å; L130-M154 HydrophobicContact CD2-SD 3.76Å; L130-L157 HydrophobicContact CD2-CD2 4.34Å; L130-V169 HydrophobicContact CB-CG1 3.79Å; L130-V169 HydrophobicContact CG-CG1 4.49Å; L130-L170 PolarHBondContact N-O 3.31Å; L130-F187 HydrophobicContact CD1-CE1 4.37Å; L130-F187 HydrophobicContact CD2-CE1 4.11Å; L130-F187 HydrophobicContact CG-CE1 4.32Å; L130-L188 HydrophobicContact CD2-CD2 4.02Å; L130-L188 HydrophobicContact CG-CD2 4.2Å
131D98.6Very high98.4Very high0 Ų035.4 Ų35.40%018%0.176CC..  trans-74.50.3-173.3-59.6-5.5000115.6Y27 I136 H137 R141 C172Y27-D131 PolarHBondContact OH-OD2 3.26Å; D131-I136 HydrophobicContact CB-CG2 4.47Å; D131-H137 PolarHBondContact N-ND1 3.44Å; D131-R141 IonicContact OD1-NH1 2.68Å; D131-R141 PolarHBondContact OD1-NH1 3.4Å; D131-R141 WeakPolarHBondContact OD2-CD 3.46Å; D131-R141 IonicContact OD2-NH1 3.81Å; D131-C172 WeakPolarHBondContact OD1-CB 3.43Å; D131-C172 PolarHBondContact OD1-N 2.76Å
132G98.5Very high98.4Very high0 Ų030 Ų300%015%0.152CC..SBendtrans121.8-151.8-179.300000113.4L130 H150 F187L130-G132 PolarHBondContact O-N 3Å; L130-G132 VanDerWaalsContact O-N 3.13Å; G132-H150 PolarHBondContact O-CD2 3.07Å; G132-H150 VanDerWaalsContact O-CD2 3.27Å; G132-H150 PolarHBondContact O-NE2 3.31Å; G132-F187 VanDerWaalsContact C-CD1 3.46Å; G132-F187 WeakPolarHBondContact O-CE1 3.28Å
133P98.4Very high98.3Very high6 Ų628.3 Ų28.34%0.03915%0.145CC..SBendtrans-51.6158.2179.6-26.431.9000113.9E135 I136 H137 Q183 F187P133-E135 VanDerWaalsContact C-N 3.28Å; P133-E135 WeakPolarHBondContact CB-OE1 3.4Å; P133-E135 PolarHBondContact O-N 2.89Å; P133-I136 PolarHBondContact O-N 2.86Å; P133-H137 PolarHBondContact O-N 3.4Å; P133-Q183 HydrophobicContact CG-CG 4.05Å; P133-F187 HydrophobicContact CB-CD2 4.37Å; P133-F187 HydrophobicContact CB-CG 4.5Å; P133-F187 HydrophobicContact CG-CB 3.76Å; P133-F187 HydrophobicContact CG-CD1 4.43Å; P133-F187 HydrophobicContact CG-CD2 4.1Å; P133-F187 HydrophobicContact CG-CG 3.83Å
134P98.5Very high98.2Very high51 Ų5128 Ų2833%0.33114%0.142SC..Hα-helixtrans-58.2-35.7-173.520.4-30.5000114.1I136 N138 H150P134-I136 VanDerWaalsContact C-N 3.32Å; P134-N138 WeakPolarHBondContact O-CB 3.37Å; P134-N138 PolarHBondContact O-N 3Å; P134-N138 PolarHBondContact O-ND2 2.9Å; P134-H150 HydrophobicContact CB-CB 4.14Å
135E97.7Very high98.1Very high104 Ų10431.1 Ų31.149%0.48617%0.174SC..Hα-helixtrans-67.8-29.7177.662.5-83.1-164.300113.2P133 Q183P133-E135 VanDerWaalsContact C-N 3.28Å; P133-E135 WeakPolarHBondContact CB-OE1 3.4Å; P133-E135 PolarHBondContact O-N 2.89Å; E135-Q183 PolarHBondContact OE1-NE2 2.98Å
136I98Very high98Very high2 Ų230.3 Ų30.31%0.0118%0.183CC..Hα-helixtrans-84.8-49.6175.9-67.5177.8000109.9D131 P133 P134 Q139 Q180 V184D131-I136 HydrophobicContact CB-CG2 4.47Å; P133-I136 PolarHBondContact O-N 2.86Å; P134-I136 VanDerWaalsContact C-N 3.32Å; I136-Q139 WeakPolarHBondContact O-CB 3.19Å; I136-Q139 PolarHBondContact O-N 3.02Å; I136-Q180 HydrophobicContact CD1-CB 4.15Å; I136-V184 HydrophobicContact CD1-CG2 3.55Å
137H98.5Very high98Very high0 Ų038.7 Ų38.70%022%0.215CC..Hα-helixtrans-62.4-48.6-177.3-178.6105.5000112.5D131 P133 Q139 R141 T149 H150D131-H137 PolarHBondContact N-ND1 3.44Å; P133-H137 PolarHBondContact O-N 3.4Å; H137-Q139 PolarHBondContact O-N 2.8Å; H137-R141 WeakPolarHBondContact O-CB 3.28Å; H137-R141 PolarHBondContact O-N 2.87Å; H137-T149 PolarHBondContact CD2-OG1 2.79Å; H137-T149 PolarHBondContact NE2-OG1 3.21Å; H137-H150 HydrophobicContact CB-CB 4.25Å; H137-H150 PolarHBondContact CD2-N 2.96Å
138N98.2Very high97.9Very high40 Ų4042.1 Ų42.121%0.21424%0.235CC..Hα-helixtrans-76.1-6.8-175.4-60.6-47.6000113.3P134 Y140 P148 T149 H150P134-N138 WeakPolarHBondContact O-CB 3.37Å; P134-N138 PolarHBondContact O-N 3Å; P134-N138 PolarHBondContact O-ND2 2.9Å; N138-Y140 VanDerWaalsContact C-N 3.27Å; N138-Y140 PolarHBondContact O-N 3.47Å; N138-P148 HydrophobicContact CB-CB 3.82Å; N138-P148 WeakPolarHBondContact OD1-CA 3.27Å; N138-P148 VanDerWaalsContact OD1-CB 3.23Å; N138-P148 WeakPolarHBondContact OD1-CB 3.2Å; N138-T149 PolarHBondContact OD1-N 3.29Å; N138-H150 WeakPolarHBondContact ND2-CB 3.17Å; N138-H150 VanDerWaalsContact OD1-CB 3.3Å; N138-H150 WeakPolarHBondContact OD1-CB 3.26Å; N138-H150 PolarHBondContact OD1-N 3.23Å
139Q97.3Very high97.9Very high72 Ų7242.1 Ų42.134%0.33624%0.235SC..Hα-helixtrans-61.3-40.6175.5-175.7177.1-6.900110.9I136 H137 T176I136-Q139 WeakPolarHBondContact O-CB 3.19Å; I136-Q139 PolarHBondContact O-N 3.02Å; H137-Q139 PolarHBondContact O-N 2.8Å; Q139-T176 PolarHBondContact NE2-OG1 2.71Å
140Y97.5Very high97.9Very high18 Ų1842.4 Ų42.47%0.07124%0.235CC..Hα-helixtrans-126.6-21.4-176.1-59.5-68.8000113.8C25 D26 Y27 N138 V142 N174 W230C25-Y140 CarbonylContact C-O 3.55Å; C25-Y140 WeakPolarHBondContact CA-O 3.3Å; C25-Y140 WeakPolarHBondContact CB-O 3.47Å; D26-Y140 HydrophobicContact CB-CD1 3.92Å; D26-Y140 PolarHBondContact N-O 3.3Å; Y27-Y140 HydrophobicContact CD1-CD1 4.39Å; Y27-Y140 HydrophobicContact CD1-CD2 4.06Å; Y27-Y140 AromaticContact CD1-CG 3.69Å; Y27-Y140 HydrophobicContact CD1-CG 3.69Å; Y27-Y140 HydrophobicContact CE1-CD2 4.26Å; Y27-Y140 HydrophobicContact CE1-CG 4.05Å; N138-Y140 VanDerWaalsContact C-N 3.27Å; N138-Y140 PolarHBondContact O-N 3.47Å; Y140-V142 PolarHBondContact O-N 2.91Å; Y140-N174 HydrophobicContact CD2-CB 4.44Å; Y140-N174 VanDerWaalsContact CD2-ND2 3.33Å; Y140-N174 WeakPolarHBondContact CD2-ND2 3.44Å; Y140-N174 HydrophobicContact CE2-CB 4.01Å; Y140-N174 WeakPolarHBondContact CE2-ND2 3.25Å; Y140-N174 WeakPolarHBondContact CE2-OD1 3.17Å; Y140-W230 HydrophobicContact CE1-CB 3.77Å; Y140-W230 HydrophobicContact CE1-CG 4.49Å; Y140-W230 HydrophobicContact CE2-CB 4.43Å
141R98.2Very high97.9Very high22 Ų2251.1 Ų51.18%0.08327%0.273CS..  trans-94.3100.8175.9-54-166.193.2112.63.9109.6Y27 S129 D131 H137 T149Y27-R141 HydrophobicContact CE1-CG 4.41Å; Y27-R141 VanDerWaalsContact OH-CD 3.26Å; Y27-R141 WeakPolarHBondContact OH-CD 3.26Å; Y27-R141 WeakPolarHBondContact OH-CG 3.32Å; Y27-R141 PolarHBondContact OH-NE 3.25Å; Y27-R141 PolarHBondContact OH-NH1 3.41Å; S129-R141 PolarHBondContact OG-NH2 3.09Å; D131-R141 IonicContact OD1-NH1 2.68Å; D131-R141 PolarHBondContact OD1-NH1 3.4Å; D131-R141 WeakPolarHBondContact OD2-CD 3.46Å; D131-R141 IonicContact OD2-NH1 3.81Å; H137-R141 WeakPolarHBondContact O-CB 3.28Å; H137-R141 PolarHBondContact O-N 2.87Å; R141-T149 PolarHBondContact O-OG1 3.09Å
142V98.1Very high97.9Very high19 Ų1953.6 Ų53.612%0.11529%0.286CS..BIsolated β-bridgetrans-131.2156.8-178.1-64.70000111.3L23 N24 Y140 R147L23-V142 WeakPolarHBondContact CA-O 3.22Å; L23-V142 WeakPolarHBondContact CB-O 3.39Å; N24-V142 PolarHBondContact N-O 3.29Å; N24-V142 WeakPolarHBondContact O-CG2 3.32Å; Y140-V142 PolarHBondContact O-N 2.91Å; V142-R147 WeakPolarHBondContact CA-O 3.31Å
143T97.8Very high97.9Very high21 Ų2153.7 Ų53.713%0.12929%0.286CS..BIsolated β-bridgetrans-65.9165.716964.40000111L23 G145 G146 R147 T149L23-T143 HydrophobicContact CD2-CG2 4.22Å; T143-G145 PolarHBondContact O-N 3Å; T143-G145 PolarHBondContact OG1-N 2.72Å; T143-G146 PolarHBondContact O-N 3.4Å; T143-R147 HydrophobicContact CG2-CB 4.33Å; T143-R147 PolarHBondContact N-O 3.43Å; T143-R147 WeakPolarHBondContact OG1-CB 2.84Å; T143-R147 PolarHBondContact OG1-N 3.03Å; T143-R147 PolarHBondContact OG1-O 3.43Å; T143-T149 HydrophobicContact CG2-CG2 3.79Å
144K95.8Very high98Very high140 Ų14055.5 Ų55.561%0.60930%0.295SS*.THydrogen-bonded Turntrans-54.1-22.2171.1-66-167.8178.3178.50114.7C21 N24C21-K144 WeakPolarHBondContact O-CE 3.3Å; C21-K144 PolarHBondContact O-NZ 3.41Å; N24-K144 HydrophobicContact CB-CG 4.27Å
145G96.4Very high98Very high66 Ų6658.8 Ų58.868%0.6830%0.301SS*.THydrogen-bonded Turntrans-9414.2174.500000114.7T143 R147T143-G145 PolarHBondContact O-N 3Å; T143-G145 PolarHBondContact OG1-N 2.72Å; G145-R147 VanDerWaalsContact C-N 3.26Å; G145-R147 PolarHBondContact O-N 2.68Å
146G96.7Very high98Very high53 Ų5353.8 Ų53.855%0.54628%0.277SS..SBendtrans72.99.6179.200000115.2T143T143-G146 PolarHBondContact O-N 3.4Å
147R98Very high98.1Very high177 Ų17753.8 Ų53.867%0.66828%0.277SS*.  trans-80.6146.1179.2-61.6-174.7-67.5175.5-2.5112.3V142 T143 G145V142-R147 WeakPolarHBondContact CA-O 3.31Å; T143-R147 HydrophobicContact CG2-CB 4.33Å; T143-R147 PolarHBondContact N-O 3.43Å; T143-R147 WeakPolarHBondContact OG1-CB 2.84Å; T143-R147 PolarHBondContact OG1-N 3.03Å; T143-R147 PolarHBondContact OG1-O 3.43Å; G145-R147 VanDerWaalsContact C-N 3.26Å; G145-R147 PolarHBondContact O-N 2.68Å
148P98.2Very high98.1Very high83 Ų8357.7 Ų57.754%0.53930%0.301SS..BIsolated β-bridgetrans-63.2144178.127.1-36.4000112.4N138N138-P148 HydrophobicContact CB-CB 3.82Å; N138-P148 WeakPolarHBondContact OD1-CA 3.27Å; N138-P148 VanDerWaalsContact OD1-CB 3.23Å; N138-P148 WeakPolarHBondContact OD1-CB 3.2Å
149T98.7Very high98.1Very high0 Ų056.7 Ų56.70%030%0.296CS..  trans-111.1-15.2-176.954.20000114.5L23 H137 N138 R141 T143 K151 L152 V153L23-T149 HydrophobicContact CD1-CG2 4.16Å; L23-T149 HydrophobicContact CD2-CG2 3.51Å; L23-T149 HydrophobicContact CG-CG2 4.48Å; H137-T149 PolarHBondContact CD2-OG1 2.79Å; H137-T149 PolarHBondContact NE2-OG1 3.21Å; N138-T149 PolarHBondContact OD1-N 3.29Å; R141-T149 PolarHBondContact O-OG1 3.09Å; T143-T149 HydrophobicContact CG2-CG2 3.79Å; T149-K151 VanDerWaalsContact C-N 3.29Å; T149-K151 PolarHBondContact O-N 2.82Å; T149-K151 VanDerWaalsContact O-N 3.08Å; T149-L152 WeakPolarHBondContact O-CA 3.27Å; T149-L152 VanDerWaalsContact O-CB 3.31Å; T149-L152 WeakPolarHBondContact O-CB 3.33Å; T149-L152 PolarHBondContact O-N 3.47Å; T149-V153 PolarHBondContact O-N 3.14Å; T149-V153 VanDerWaalsContact O-N 3.13Å
150H98.8Very high98.2Very high16 Ų1653.2 Ų53.27%0.07428%0.28CS..Hα-helixtrans-48.8-46-172.7176.1-87.4000113.5G132 P134 H137 N138 L152 V153 M154 F187G132-H150 PolarHBondContact O-CD2 3.07Å; G132-H150 VanDerWaalsContact O-CD2 3.27Å; G132-H150 PolarHBondContact O-NE2 3.31Å; P134-H150 HydrophobicContact CB-CB 4.14Å; H137-H150 HydrophobicContact CB-CB 4.25Å; H137-H150 PolarHBondContact CD2-N 2.96Å; N138-H150 WeakPolarHBondContact ND2-CB 3.17Å; N138-H150 VanDerWaalsContact OD1-CB 3.3Å; N138-H150 WeakPolarHBondContact OD1-CB 3.26Å; N138-H150 PolarHBondContact OD1-N 3.23Å; H150-L152 VanDerWaalsContact C-N 3.28Å; H150-L152 PolarHBondContact O-N 2.94Å; H150-V153 PolarHBondContact O-N 3.03Å; H150-M154 WeakPolarHBondContact CE1-CG 3.41Å; H150-M154 WeakPolarHBondContact O-CG 3.14Å; H150-M154 PolarHBondContact O-N 3.45Å; H150-F187 AromaticContact CE1-CZ 3.91Å; H150-F187 AromaticContact NE2-CE2 3.79Å; H150-F187 AromaticContact NE2-CZ 3.21Å; H150-F187 WeakPolarHBondContact NE2-CZ 3.48Å
151K98.6Very high98.3Very high183 Ų18355.4 Ų55.480%0.79629%0.29SS*.Hα-helixtrans-62.8-33.3179.4-70.3-175.9177.6-179.60113.3T149 R155T149-K151 VanDerWaalsContact C-N 3.29Å; T149-K151 PolarHBondContact O-N 2.82Å; T149-K151 VanDerWaalsContact O-N 3.08Å; K151-R155 PolarHBondContact O-N 2.85Å; K151-R155 VanDerWaalsContact O-N 3.12Å
152L98.6Very high98.3Very high53 Ų5360.2 Ų60.228%0.27731%0.312SS..Hα-helixtrans-70.8-41.9177.5-59.8168.5000110.2V109 T149 H150 R155 A156V109-L152 HydrophobicContact CG1-CB 4.37Å; V109-L152 HydrophobicContact CG1-CD1 3.94Å; V109-L152 HydrophobicContact CG2-CB 3.99Å; V109-L152 HydrophobicContact CG2-CD1 4.32Å; T149-L152 WeakPolarHBondContact O-CA 3.27Å; T149-L152 VanDerWaalsContact O-CB 3.31Å; T149-L152 WeakPolarHBondContact O-CB 3.33Å; T149-L152 PolarHBondContact O-N 3.47Å; H150-L152 VanDerWaalsContact C-N 3.28Å; H150-L152 PolarHBondContact O-N 2.94Å; L152-R155 WeakPolarHBondContact O-CB 3.13Å; L152-R155 PolarHBondContact O-N 2.78Å; L152-A156 PolarHBondContact O-N 2.8Å
153V98.7Very high98.3Very high2 Ų261.5 Ų61.51%0.01232%0.317CS..Hα-helixtrans-67.6-39.4176.7-174.30000111.4N107 V109 L128 S129 L130 T149 H150 R155 A156 L157N107-V153 WeakPolarHBondContact O-CG2 3.03Å; V109-V153 HydrophobicContact CG2-CG2 4.48Å; L128-V153 HydrophobicContact CD1-CG1 4.01Å; L128-V153 HydrophobicContact CD2-CG1 4.08Å; L128-V153 HydrophobicContact CG-CG1 4.04Å; S129-V153 WeakPolarHBondContact O-CG1 3.42Å; L130-V153 HydrophobicContact CB-CG1 3.97Å; L130-V153 HydrophobicContact CD1-CG1 4.07Å; L130-V153 HydrophobicContact CG-CG1 4.46Å; T149-V153 PolarHBondContact O-N 3.14Å; T149-V153 VanDerWaalsContact O-N 3.13Å; H150-V153 PolarHBondContact O-N 3.03Å; V153-R155 VanDerWaalsContact C-N 3.31Å; V153-R155 PolarHBondContact O-N 3.46Å; V153-A156 WeakPolarHBondContact O-CA 3.36Å; V153-A156 VanDerWaalsContact O-CB 3.25Å; V153-A156 WeakPolarHBondContact O-CB 3.38Å; V153-A156 PolarHBondContact O-N 3.14Å; V153-A156 VanDerWaalsContact O-N 3.08Å; V153-L157 PolarHBondContact O-N 2.98Å
154M98.8Very high98.3Very high44 Ų4468.2 Ų68.222%0.21735%0.346CS..Hα-helixtrans-63.3-36.7173.8-69.7-53.5-64.800112.5L130 H150 A156 L157 T158 F187 A191L130-M154 HydrophobicContact CD1-SD 4.27Å; L130-M154 HydrophobicContact CD2-SD 3.76Å; H150-M154 WeakPolarHBondContact CE1-CG 3.41Å; H150-M154 WeakPolarHBondContact O-CG 3.14Å; H150-M154 PolarHBondContact O-N 3.45Å; M154-A156 VanDerWaalsContact C-N 3.31Å; M154-A156 PolarHBondContact O-N 3.33Å; M154-L157 HydrophobicContact CE-CD2 3.93Å; M154-L157 PolarHBondContact O-N 2.65Å; M154-L157 HydrophobicContact SD-CD2 4.26Å; M154-T158 PolarHBondContact O-N 3.46Å; M154-T158 PolarHBondContact O-OG1 2.9Å; M154-F187 HydrophobicContact CE-CZ 4.19Å; M154-F187 HydrophobicContact SD-CE1 4.36Å; M154-F187 HydrophobicContact SD-CZ 3.74Å; M154-A191 HydrophobicContact CE-CB 4.07Å
155R98.8Very high98.5Very high119 Ų11961.9 Ų61.945%0.44932%0.319SS..Hα-helixtrans-61.2-42.9171-175.6-171.372-150.9-0.6110.9V109 K151 L152 V153 T158 L159V109-R155 PolarHBondContact O-NH2 2.72Å; K151-R155 PolarHBondContact O-N 2.85Å; K151-R155 VanDerWaalsContact O-N 3.12Å; L152-R155 WeakPolarHBondContact O-CB 3.13Å; L152-R155 PolarHBondContact O-N 2.78Å; V153-R155 VanDerWaalsContact C-N 3.31Å; V153-R155 PolarHBondContact O-N 3.46Å; R155-T158 PolarHBondContact O-N 2.88Å; R155-L159 HydrophobicContact CG-CD1 4.3Å; R155-L159 WeakPolarHBondContact O-CG 3.41Å; R155-L159 PolarHBondContact O-N 3.37Å
156A98.8Very high98.6Very high0 Ų063.7 Ų63.70%031%0.313CS..Hα-helixtrans-61-44.8177.100000111.7G108 L111 L128 L152 V153 M154 T158 L159 L160G108-A156 WeakPolarHBondContact O-CB 3.49Å; L111-A156 HydrophobicContact CB-CB 4.28Å; L111-A156 HydrophobicContact CD1-CB 4.24Å; L128-A156 HydrophobicContact CD1-CB 4.18Å; L152-A156 PolarHBondContact O-N 2.8Å; V153-A156 WeakPolarHBondContact O-CA 3.36Å; V153-A156 VanDerWaalsContact O-CB 3.25Å; V153-A156 WeakPolarHBondContact O-CB 3.38Å; V153-A156 PolarHBondContact O-N 3.14Å; V153-A156 VanDerWaalsContact O-N 3.08Å; M154-A156 VanDerWaalsContact C-N 3.31Å; M154-A156 PolarHBondContact O-N 3.33Å; A156-T158 PolarHBondContact O-N 2.81Å; A156-L159 WeakPolarHBondContact O-CB 3.15Å; A156-L159 PolarHBondContact O-N 3.4Å; A156-L159 VanDerWaalsContact O-N 3.15Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.19Å
157L98.9Very high98.7Very high1 Ų162.6 Ų62.61%0.00529%0.293CS..Hα-helixtrans-56.3-48.3173.817961.9000111.6L128 L130 V153 M154 L159 L160 Q161 Y167 A191 V193L128-L157 HydrophobicContact CD2-CB 3.78Å; L128-L157 HydrophobicContact CD2-CD1 4.2Å; L130-L157 HydrophobicContact CD2-CD2 4.34Å; V153-L157 PolarHBondContact O-N 2.98Å; M154-L157 HydrophobicContact CE-CD2 3.93Å; M154-L157 PolarHBondContact O-N 2.65Å; M154-L157 HydrophobicContact SD-CD2 4.26Å; L157-L159 VanDerWaalsContact C-N 3.29Å; L157-L159 PolarHBondContact O-N 3.19Å; L157-L160 PolarHBondContact O-N 3.07Å; L157-Q161 HydrophobicContact CD1-CG 4.38Å; L157-Q161 VanDerWaalsContact O-CG 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.25Å; L157-Q161 PolarHBondContact O-N 3.37Å; L157-Y167 HydrophobicContact CD1-CD2 4.08Å; L157-Y167 HydrophobicContact CD1-CE1 4.49Å; L157-Y167 HydrophobicContact CD1-CE2 3.37Å; L157-A191 HydrophobicContact CD2-CB 3.97Å; L157-V193 HydrophobicContact CD1-CG2 4.25Å; L157-V193 HydrophobicContact CD2-CG2 4.08Å
158T98.8Very high98.7Very high82 Ų8255.3 Ų55.350%0.50327%0.267SS..Hα-helixtrans-61.4-37176.9-57.50000112.4M154 R155 A156 K162M154-T158 PolarHBondContact O-N 3.46Å; M154-T158 PolarHBondContact O-OG1 2.9Å; R155-T158 PolarHBondContact O-N 2.88Å; A156-T158 PolarHBondContact O-N 2.81Å; T158-K162 WeakPolarHBondContact O-CB 3.33Å; T158-K162 PolarHBondContact O-N 3.4Å
159L98.9Very high98.8Very high19 Ų1951.4 Ų51.410%0.09924%0.242CC..Hα-helixtrans-67.5-44.8176.4-72.5167000111.8L111 R155 A156 L157 Q161 K162 H163L111-L159 VanDerWaalsContact O-CD1 3.32Å; L111-L159 WeakPolarHBondContact O-CD1 3.22Å; R155-L159 HydrophobicContact CG-CD1 4.3Å; R155-L159 WeakPolarHBondContact O-CG 3.41Å; R155-L159 PolarHBondContact O-N 3.37Å; A156-L159 WeakPolarHBondContact O-CB 3.15Å; A156-L159 PolarHBondContact O-N 3.4Å; A156-L159 VanDerWaalsContact O-N 3.15Å; L157-L159 VanDerWaalsContact C-N 3.29Å; L157-L159 PolarHBondContact O-N 3.19Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 2.66Å; L159-K162 PolarHBondContact O-N 2.99Å; L159-H163 PolarHBondContact O-CD2 3.44Å; L159-H163 VanDerWaalsContact O-CD2 3.29Å; L159-H163 PolarHBondContact O-N 3.33Å; L159-H163 VanDerWaalsContact O-N 3.07Å
160L98.9Very high98.8Very high0 Ų051.8 Ų51.80%024%0.244CC..Hα-helixtrans-57.7-46.3175-67.7169.7000111L111 V126 L128 A156 L157 H163 H164 V165 Y167L111-L160 HydrophobicContact CD1-CD1 4.29Å; L111-L160 HydrophobicContact CD1-CD2 4.06Å; L111-L160 HydrophobicContact CD1-CG 4.2Å; V126-L160 HydrophobicContact CB-CD2 4.25Å; V126-L160 HydrophobicContact CG1-CD1 3.98Å; V126-L160 HydrophobicContact CG1-CD2 4.14Å; V126-L160 HydrophobicContact CG2-CD2 4.04Å; L128-L160 HydrophobicContact CB-CD1 4.26Å; L128-L160 HydrophobicContact CD2-CD1 4.15Å; A156-L160 WeakPolarHBondContact O-CG 3.41Å; A156-L160 PolarHBondContact O-N 3.19Å; L157-L160 PolarHBondContact O-N 3.07Å; L160-H163 PolarHBondContact O-N 2.93Å; L160-H164 PolarHBondContact O-N 3.08Å; L160-H164 VanDerWaalsContact O-N 3.14Å; L160-V165 HydrophobicContact CB-CB 4.35Å; L160-V165 HydrophobicContact CD2-CB 3.78Å; L160-V165 HydrophobicContact CD2-CG1 3.72Å; L160-V165 HydrophobicContact CD2-CG2 4.02Å; L160-V165 PolarHBondContact O-N 3.25Å; L160-Y167 HydrophobicContact CB-CD1 4.11Å; L160-Y167 HydrophobicContact CD1-CG 4.36Å
161Q98.8Very high98.8Very high63 Ų6351.1 Ų51.129%0.29424%0.241SC..Hα-helixtrans-63-44.8176.7-70.7170.3-1500112.4L157 L159 H163 H164 Y167 A191L157-Q161 HydrophobicContact CD1-CG 4.38Å; L157-Q161 VanDerWaalsContact O-CG 3.3Å; L157-Q161 WeakPolarHBondContact O-CG 3.25Å; L157-Q161 PolarHBondContact O-N 3.37Å; L159-Q161 VanDerWaalsContact C-N 3.32Å; L159-Q161 PolarHBondContact O-N 2.66Å; Q161-H163 VanDerWaalsContact C-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.17Å; Q161-H164 PolarHBondContact O-N 2.9Å; Q161-Y167 HydrophobicContact CG-CE1 3.86Å; Q161-Y167 WeakPolarHBondContact CG-OH 3.32Å; Q161-Y167 PolarHBondContact NE2-OH 3.07Å; Q161-A191 PolarHBondContact NE2-O 3.23Å
162K98.7Very high98.8Very high123 Ų12343.3 Ų43.354%0.53521%0.209SC..Hα-helixtrans-58.8-38.4179175.7-171.4173.2-167.50112.4D113 T158 L159D113-K162 IonicContact OD1-NZ 3Å; D113-K162 PolarHBondContact OD1-NZ 2.84Å; D113-K162 IonicContact OD2-NZ 3.07Å; T158-K162 WeakPolarHBondContact O-CB 3.33Å; T158-K162 PolarHBondContact O-N 3.4Å; L159-K162 PolarHBondContact O-N 2.99Å
163H98.8Very high98.8Very high47 Ų4740.8 Ų40.822%0.21820%0.196CC..THydrogen-bonded Turntrans-93.53.5-178-74.8-85.2000113.7D113 C116 L159 L160 Q161 V165D113-H163 IonicContact OD1-CD2 3.72Å; D113-H163 IonicContact OD1-CE1 2.72Å; D113-H163 IonicContact OD1-NE2 2.57Å; D113-H163 PolarHBondContact OD1-NE2 3.28Å; C116-H163 HydrophobicContact CB-CB 3.83Å; C116-H163 VanDerWaalsContact CB-CD2 3.44Å; C116-H163 WeakPolarHBondContact CB-CD2 3.35Å; L159-H163 PolarHBondContact O-CD2 3.44Å; L159-H163 VanDerWaalsContact O-CD2 3.29Å; L159-H163 PolarHBondContact O-N 3.33Å; L159-H163 VanDerWaalsContact O-N 3.07Å; L160-H163 PolarHBondContact O-N 2.93Å; Q161-H163 VanDerWaalsContact C-N 3.28Å; Q161-H163 PolarHBondContact O-N 3.17Å; H163-V165 HydrophobicContact CB-CG2 4.07Å; H163-V165 PolarHBondContact O-N 3.45Å
164H98.5Very high98.7Very high162 Ų16240.7 Ų40.775%0.7520%0.195SC*.THydrogen-bonded Turntrans55.338.1-177.3-52-70000113.1L160 Q161L160-H164 PolarHBondContact O-N 3.08Å; L160-H164 VanDerWaalsContact O-N 3.14Å; Q161-H164 PolarHBondContact O-N 2.9Å
165V98.8Very high98.6Very high6 Ų641.3 Ų41.34%0.03620%0.195CC..  trans-72.4136.4171.9-178.60000108.3C116 L119 A120 V126 L160 H163 Y167C116-V165 HydrophobicContact CB-CG2 4.24Å; C116-V165 VanDerWaalsContact O-CG2 3.3Å; C116-V165 WeakPolarHBondContact O-CG2 3.33Å; L119-V165 HydrophobicContact CB-CG1 4.02Å; L119-V165 HydrophobicContact CB-CG2 4.2Å; A120-V165 HydrophobicContact CB-CG2 3.9Å; V126-V165 HydrophobicContact CB-CG1 4.32Å; V126-V165 HydrophobicContact CG2-CG1 3.58Å; L160-V165 HydrophobicContact CB-CB 4.35Å; L160-V165 HydrophobicContact CD2-CB 3.78Å; L160-V165 HydrophobicContact CD2-CG1 3.72Å; L160-V165 HydrophobicContact CD2-CG2 4.02Å; L160-V165 PolarHBondContact O-N 3.25Å; H163-V165 HydrophobicContact CB-CG2 4.07Å; H163-V165 PolarHBondContact O-N 3.45Å; V165-Y167 WeakPolarHBondContact O-CD1 3.31Å; V165-Y167 PolarHBondContact O-N 2.94Å
166D98.7Very high98.5Very high104 Ų10438 Ų3856%0.55619%0.188SC*.  trans-70.6126171-69.3-44.3000109.7L125 V126L125-D166 HydrophobicContact CD1-CB 4.12Å; V126-D166 PolarHBondContact N-O 3.01Å
167Y98.8Very high98.4Very high31 Ų3138 Ų3812%0.12219%0.188CC..EExtended strand (participates in β ladder)trans-144.4152.5-177.871.9-86.8000114.1V126 L157 L160 Q161 V165 V169 G192 V193V126-Y167 CarbonylContact O-C 3.53Å; V126-Y167 WeakPolarHBondContact O-CA 3.47Å; V126-Y167 WeakPolarHBondContact O-CB 3.45Å; L157-Y167 HydrophobicContact CD1-CD2 4.08Å; L157-Y167 HydrophobicContact CD1-CE1 4.49Å; L157-Y167 HydrophobicContact CD1-CE2 3.37Å; L160-Y167 HydrophobicContact CB-CD1 4.11Å; L160-Y167 HydrophobicContact CD1-CG 4.36Å; Q161-Y167 HydrophobicContact CG-CE1 3.86Å; Q161-Y167 WeakPolarHBondContact CG-OH 3.32Å; Q161-Y167 PolarHBondContact NE2-OH 3.07Å; V165-Y167 WeakPolarHBondContact O-CD1 3.31Å; V165-Y167 PolarHBondContact O-N 2.94Å; Y167-V169 HydrophobicContact CD2-CG2 4.35Å; Y167-V169 HydrophobicContact CE2-CG2 4.33Å; Y167-G192 PolarHBondContact OH-O 3.43Å; Y167-V193 HydrophobicContact CE2-CG2 4.4Å
168N98.6Very high98.4Very high24 Ų2438.3 Ų38.313%0.12819%0.19CC..EExtended strand (participates in β ladder)trans-114.8152.8165.8-58.7-16.1000109V126 L128 F195V126-N168 PolarHBondContact O-N 3.27Å; L128-N168 PolarHBondContact N-O 3.5Å; N168-F195 WeakPolarHBondContact CA-O 3.46Å; N168-F195 HydrophobicContact CB-CB 4.19Å; N168-F195 WeakPolarHBondContact OD1-CB 3.35Å
169V98.9Very high98.4Very high0 Ų039.9 Ų39.90%019%0.192CC..EExtended strand (participates in β ladder)trans-102.4128.6166.7172.60000110.6L128 L130 Y167 V171 L188 V193 F195 Q197L128-V169 WeakPolarHBondContact O-CA 3.37Å; L130-V169 HydrophobicContact CB-CG1 3.79Å; L130-V169 HydrophobicContact CG-CG1 4.49Å; Y167-V169 HydrophobicContact CD2-CG2 4.35Å; Y167-V169 HydrophobicContact CE2-CG2 4.33Å; V169-V171 HydrophobicContact CG1-CG2 3.97Å; V169-L188 HydrophobicContact CG1-CD2 3.84Å; V169-V193 HydrophobicContact CB-CG1 3.73Å; V169-V193 HydrophobicContact CG2-CB 4.26Å; V169-V193 HydrophobicContact CG2-CG1 3.51Å; V169-V193 HydrophobicContact CG2-CG2 3.68Å; V169-F195 PolarHBondContact N-O 3.03Å; V169-Q197 PolarHBondContact O-N 2.91Å
170L98.7Very high98.3Very high9 Ų942.6 Ų42.65%0.04720%0.204CC..EExtended strand (participates in β ladder)trans-104.9122.4176.2-61.688.1000108.9Q105 G127 L128 S129 L130 Q197 I199Q105-L170 HydrophobicContact CG-CD2 4.45Å; G127-L170 VanDerWaalsContact C-CD1 3.42Å; L128-L170 PolarHBondContact O-N 3.42Å; S129-L170 WeakPolarHBondContact CA-O 3.4Å; L130-L170 PolarHBondContact N-O 3.31Å; L170-Q197 WeakPolarHBondContact CA-O 3.08Å; L170-Q197 HydrophobicContact CG-CB 4.41Å; L170-I199 HydrophobicContact CB-CD1 4.03Å; L170-I199 HydrophobicContact CD2-CD1 3.84Å; L170-I199 HydrophobicContact CG-CD1 4.42Å
171V98.8Very high98.3Very high1 Ų143.6 Ų43.61%0.00621%0.211CC..EExtended strand (participates in β ladder)trans-114.2114.8-172.8-175.10000108.2V169 V173 V184 L188 I196 Q197 F198 I199V169-V171 HydrophobicContact CG1-CG2 3.97Å; V171-V173 HydrophobicContact CG1-CG2 4.44Å; V171-V173 PolarHBondContact O-N 3.42Å; V171-V184 HydrophobicContact CG1-CG1 3.8Å; V171-L188 HydrophobicContact CG2-CD1 3.54Å; V171-I196 HydrophobicContact CG2-CG2 4.04Å; V171-Q197 PolarHBondContact N-O 3.35Å; V171-F198 HydrophobicContact CB-CD1 3.61Å; V171-F198 HydrophobicContact CB-CE1 3.92Å; V171-F198 HydrophobicContact CG1-CD1 3.75Å; V171-F198 HydrophobicContact CG1-CE1 3.88Å; V171-F198 HydrophobicContact CG2-CD1 3.99Å; V171-F198 HydrophobicContact CG2-CE1 3.85Å; V171-I199 PolarHBondContact O-N 2.97Å
172C98.5Very high98.3Very high19 Ų1943.9 Ų43.913%0.12821%0.214CC..EExtended strand (participates in β ladder)trans-76.9112.1171.8-72.60000109.6Y27 D131 N174 I199 V201Y27-C172 HydrophobicContact CE1-CB 4.16Å; Y27-C172 HydrophobicContact CE2-CB 4.03Å; D131-C172 WeakPolarHBondContact OD1-CB 3.43Å; D131-C172 PolarHBondContact OD1-N 2.76Å; C172-N174 PolarHBondContact O-N 3.3Å; C172-I199 CarbonylContact C-O 3.58Å; C172-I199 WeakPolarHBondContact CA-O 2.91Å; C172-V201 HydrophobicContact CB-CG2 3.58Å
173V98.7Very high98.3Very high0 Ų041.3 Ų41.30%020%0.204CC..EExtended strand (participates in β ladder)trans-90.3104178.1-173.70000109.4V171 S177 A178 F198 I199 V201 V232 F237 F240V171-V173 HydrophobicContact CG1-CG2 4.44Å; V171-V173 PolarHBondContact O-N 3.42Å; V173-S177 WeakPolarHBondContact CA-OG 3.26Å; V173-A178 HydrophobicContact CG1-CB 3.99Å; V173-F198 HydrophobicContact CG2-CB 3.86Å; V173-F198 HydrophobicContact CG2-CD1 3.82Å; V173-F198 HydrophobicContact CG2-CG 4.27Å; V173-I199 PolarHBondContact N-O 2.91Å; V173-V201 PolarHBondContact O-N 2.57Å; V173-V232 HydrophobicContact CG1-CG2 4.48Å; V173-F237 HydrophobicContact CB-CD2 4.17Å; V173-F237 HydrophobicContact CB-CE2 4.06Å; V173-F237 HydrophobicContact CG1-CD2 3.98Å; V173-F237 HydrophobicContact CG1-CE2 4.31Å; V173-F237 HydrophobicContact CG2-CE2 4.11Å; V173-F240 HydrophobicContact CG1-CD1 4.25Å; V173-F240 HydrophobicContact CG1-CD2 4.13Å; V173-F240 HydrophobicContact CG1-CE1 4.32Å; V173-F240 HydrophobicContact CG1-CE2 4.16Å; V173-F240 HydrophobicContact CG1-CG 4.16Å; V173-F240 HydrophobicContact CG1-CZ 4.27Å; V173-F240 HydrophobicContact CG2-CD1 4.3Å; V173-F240 HydrophobicContact CG2-CE1 3.69Å; V173-F240 HydrophobicContact CG2-CE2 4.41Å; V173-F240 HydrophobicContact CG2-CZ 3.75Å
174N97.9Very high98.3Very high0 Ų039.1 Ų39.10%019%0.194CC..  trans-98.5176.1174.363.866.9000111Y140 C172 T176 S177 A178 V201 W230Y140-N174 HydrophobicContact CD2-CB 4.44Å; Y140-N174 VanDerWaalsContact CD2-ND2 3.33Å; Y140-N174 WeakPolarHBondContact CD2-ND2 3.44Å; Y140-N174 HydrophobicContact CE2-CB 4.01Å; Y140-N174 WeakPolarHBondContact CE2-ND2 3.25Å; Y140-N174 WeakPolarHBondContact CE2-OD1 3.17Å; C172-N174 PolarHBondContact O-N 3.3Å; N174-T176 PolarHBondContact O-N 3.04Å; N174-T176 WeakPolarHBondContact OD1-CA 3.33Å; N174-T176 VanDerWaalsContact OD1-CB 3.32Å; N174-T176 WeakPolarHBondContact OD1-CB 3.37Å; N174-T176 PolarHBondContact OD1-N 3.03Å; N174-S177 PolarHBondContact N-OG 3.15Å; N174-S177 PolarHBondContact O-N 3.13Å; N174-S177 PolarHBondContact O-OG 3.13Å; N174-S177 VanDerWaalsContact O-OG 3.13Å; N174-S177 PolarHBondContact OD1-N 3.17Å; N174-A178 VanDerWaalsContact O-CB 3.3Å; N174-A178 WeakPolarHBondContact O-CB 3.4Å; N174-A178 PolarHBondContact O-N 3.4Å; N174-V201 HydrophobicContact CB-CB 4.35Å; N174-V201 HydrophobicContact CB-CG2 4.35Å; N174-W230 CarbonylContact C-O 3.53Å; N174-W230 WeakPolarHBondContact CA-O 3.24Å; N174-W230 HydrophobicContact CB-CB 4.49Å; N174-W230 WeakPolarHBondContact CB-O 3.47Å
175R96.8Very high98.3Very high58 Ų5831.4 Ų31.422%0.21916%0.158CC..THydrogen-bonded Turntrans-53.7-35.7179-178.8167.3-72.7140.85.5113.7E229 W230 S231R175-E229 PolarHBondContact NH1-O 3.23Å; R175-W230 PolarHBondContact N-O 2.79Å; R175-S231 PolarHBondContact NE-O 2.58Å; R175-S231 PolarHBondContact NH2-O 3.09Å
176T96.1Very high98.3Very high49 Ų4933 Ų3330%0.30117%0.166SC..THydrogen-bonded Turntrans-78.5-47-179.8-50.70000111.7Q139 N174 A178 Q179Q139-T176 PolarHBondContact NE2-OG1 2.71Å; N174-T176 PolarHBondContact O-N 3.04Å; N174-T176 WeakPolarHBondContact OD1-CA 3.33Å; N174-T176 VanDerWaalsContact OD1-CB 3.32Å; N174-T176 WeakPolarHBondContact OD1-CB 3.37Å; N174-T176 PolarHBondContact OD1-N 3.03Å; T176-A178 VanDerWaalsContact C-N 3.28Å; T176-A178 PolarHBondContact O-N 3.3Å; T176-Q179 PolarHBondContact O-N 2.58Å
177S97.9Very high98.3Very high1 Ų130.1 Ų30.11%0.00715%0.149CC..G310 helixtrans-67.9-29.5-179.563.80000112.6V173 N174 Q179 Q180V173-S177 WeakPolarHBondContact CA-OG 3.26Å; N174-S177 PolarHBondContact N-OG 3.15Å; N174-S177 PolarHBondContact O-N 3.13Å; N174-S177 PolarHBondContact O-OG 3.13Å; N174-S177 VanDerWaalsContact O-OG 3.13Å; N174-S177 PolarHBondContact OD1-N 3.17Å; S177-Q179 PolarHBondContact O-N 3.26Å; S177-Q180 PolarHBondContact O-N 2.9Å
178A98.3Very high98.3Very high6 Ų628.6 Ų28.65%0.0514%0.143CC..G310 helixtrans-57.7-27.617600000113V173 N174 T176 Q180 V232 E236V173-A178 HydrophobicContact CG1-CB 3.99Å; N174-A178 VanDerWaalsContact O-CB 3.3Å; N174-A178 WeakPolarHBondContact O-CB 3.4Å; N174-A178 PolarHBondContact O-N 3.4Å; T176-A178 VanDerWaalsContact C-N 3.28Å; T176-A178 PolarHBondContact O-N 3.3Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.11Å; A178-V232 HydrophobicContact CB-CG2 3.57Å; A178-E236 HydrophobicContact CB-CB 4.2Å
179Q97.9Very high98.3Very high116 Ų11628.6 Ų28.654%0.54214%0.144SC..G310 helixtrans-79.3-7.9178.6-55.8-58-45.600113.3T176 S177 E236T176-Q179 PolarHBondContact O-N 2.58Å; S177-Q179 PolarHBondContact O-N 3.26Å; Q179-E236 PolarHBondContact NE2-OE1 3.46Å
180Q98Very high98.3Very high75 Ų7535.1 Ų35.135%0.3518%0.18SC..  trans-130.249.3-173.3-61-178.993.100112.6I136 S177 A178 L182 Q183 V184I136-Q180 HydrophobicContact CD1-CB 4.15Å; S177-Q180 PolarHBondContact O-N 2.9Å; A178-Q180 VanDerWaalsContact C-N 3.27Å; A178-Q180 PolarHBondContact O-N 3.11Å; Q180-L182 PolarHBondContact O-N 2.77Å; Q180-Q183 HydrophobicContact CB-CB 4.06Å; Q180-Q183 WeakPolarHBondContact O-CB 3.16Å; Q180-Q183 PolarHBondContact O-N 3.04Å; Q180-Q183 VanDerWaalsContact O-N 3.13Å; Q180-V184 PolarHBondContact O-N 3.42Å; Q180-V184 VanDerWaalsContact O-N 3.13Å
181P98.6Very high98.3Very high21 Ų2135.7 Ų35.714%0.13619%0.186CC..Hα-helixtrans-57.1-48.3-171.820.7-31.5000113.4Q183 V184 Y185 F240 A243 I244P181-Q183 VanDerWaalsContact C-N 3.29Å; P181-Q183 PolarHBondContact O-N 2.76Å; P181-V184 PolarHBondContact O-N 2.91Å; P181-Y185 WeakPolarHBondContact O-CB 3.32Å; P181-Y185 PolarHBondContact O-N 2.9Å; P181-F240 VanDerWaalsContact CA-CE2 3.48Å; P181-F240 HydrophobicContact CB-CD2 3.51Å; P181-F240 HydrophobicContact CB-CE2 3.89Å; P181-F240 HydrophobicContact CB-CG 4.05Å; P181-F240 HydrophobicContact CG-CD2 4.4Å; P181-A243 HydrophobicContact CB-CB 3.98Å; P181-A243 HydrophobicContact CG-CB 3.61Å; P181-I244 HydrophobicContact CB-CD1 4.36Å; P181-I244 HydrophobicContact CB-CG1 3.94Å
182L98.5Very high98.2Very high69 Ų6937.6 Ų37.636%0.36121%0.205SC..Hα-helixtrans-71.6-26.1-177.8-60.9-174.9000112.5Q180 N186 H247Q180-L182 PolarHBondContact O-N 2.77Å; L182-N186 WeakPolarHBondContact O-CB 3.48Å; L182-N186 VanDerWaalsContact O-CG 3.29Å; L182-N186 PolarHBondContact O-N 3.46Å; L182-N186 PolarHBondContact O-ND2 3.17Å; L182-H247 HydrophobicContact CD2-CB 3.56Å
183Q98.5Very high98.2Very high70 Ų7036.7 Ų36.733%0.32720%0.199SC..Hα-helixtrans-69.5-46.6175.4-161.2-163.518.700110.3P133 E135 Q180 P181 F187P133-Q183 HydrophobicContact CG-CG 4.05Å; E135-Q183 PolarHBondContact OE1-NE2 2.98Å; Q180-Q183 HydrophobicContact CB-CB 4.06Å; Q180-Q183 WeakPolarHBondContact O-CB 3.16Å; Q180-Q183 PolarHBondContact O-N 3.04Å; Q180-Q183 VanDerWaalsContact O-N 3.13Å; P181-Q183 VanDerWaalsContact C-N 3.29Å; P181-Q183 PolarHBondContact O-N 2.76Å; Q183-F187 WeakPolarHBondContact O-CB 3.39Å; Q183-F187 PolarHBondContact O-N 3.03Å; Q183-F187 VanDerWaalsContact O-N 3.14Å
184V98.7Very high98.2Very high0 Ų041.6 Ų41.60%022%0.222CC..Hα-helixtrans-62.6-51.1175.9176.80000110.6I136 V171 Q180 P181 F187 L188 F198I136-V184 HydrophobicContact CD1-CG2 3.55Å; V171-V184 HydrophobicContact CG1-CG1 3.8Å; Q180-V184 PolarHBondContact O-N 3.42Å; Q180-V184 VanDerWaalsContact O-N 3.13Å; P181-V184 PolarHBondContact O-N 2.91Å; V184-F187 PolarHBondContact O-N 3.23Å; V184-L188 HydrophobicContact CG1-CD1 4.24Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.29Å; V184-F198 HydrophobicContact CG1-CE1 4.02Å
185Y98.8Very high98.3Very high0 Ų045.4 Ų45.40%024%0.238CC..Hα-helixtrans-62.3-51.5-177.4177.4-97.4000112.6P181 F187 L188 C189 I196 I244 H247 D252 I256 V258P181-Y185 WeakPolarHBondContact O-CB 3.32Å; P181-Y185 PolarHBondContact O-N 2.9Å; Y185-F187 VanDerWaalsContact C-N 3.31Å; Y185-F187 PolarHBondContact O-N 3.05Å; Y185-L188 PolarHBondContact O-N 3.44Å; Y185-C189 VanDerWaalsContact CE1-SG 3.54Å; Y185-C189 PolarHBondContact O-N 3.18Å; Y185-C189 VanDerWaalsContact O-N 3.07Å; Y185-C189 PolarHBondContact O-SG 2.9Å; Y185-C189 VanDerWaalsContact O-SG 3.39Å; Y185-I196 HydrophobicContact CD2-CD1 4.28Å; Y185-I196 HydrophobicContact CE2-CD1 4.24Å; Y185-I244 HydrophobicContact CD2-CG2 3.61Å; Y185-I244 HydrophobicContact CE2-CG2 3.97Å; Y185-I244 HydrophobicContact CG-CG1 4.45Å; Y185-I244 HydrophobicContact CG-CG2 4.11Å; Y185-H247 AromaticContact CD1-CD2 3.66Å; Y185-H247 AromaticContact CE1-CD2 3.55Å; Y185-D252 WeakPolarHBondContact CE1-OD2 3.21Å; Y185-D252 WeakPolarHBondContact OH-CB 3.49Å; Y185-D252 PolarHBondContact OH-OD2 3.24Å; Y185-I256 HydrophobicContact CE2-CG2 4.13Å; Y185-V258 HydrophobicContact CD2-CG2 4.49Å; Y185-V258 HydrophobicContact CE2-CG2 3.83Å
186N98.6Very high98.3Very high39 Ų3942.6 Ų42.621%0.20923%0.228CC..Hα-helixtrans-64.7-36.9-178.3-71.2-51.5000111.6L182 L188 C189 D190 H247 R251L182-N186 WeakPolarHBondContact O-CB 3.48Å; L182-N186 VanDerWaalsContact O-CG 3.29Å; L182-N186 PolarHBondContact O-N 3.46Å; L182-N186 PolarHBondContact O-ND2 3.17Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 2.94Å; N186-C189 PolarHBondContact O-N 3.27Å; N186-D190 WeakPolarHBondContact O-CB 3.27Å; N186-D190 PolarHBondContact O-N 2.68Å; N186-H247 PolarHBondContact OD1-NE2 2.85Å; N186-R251 PolarHBondContact OD1-NH1 2.74Å; N186-R251 PolarHBondContact OD1-NH2 2.97Å
187F98.7Very high98.4Very high44 Ų4442.4 Ų42.419%0.19322%0.224CC..Hα-helixtrans-57-44.4174.2167.7-92.8000112.5L130 G132 P133 H150 M154 Q183 V184 Y185 D190 A191L130-F187 HydrophobicContact CD1-CE1 4.37Å; L130-F187 HydrophobicContact CD2-CE1 4.11Å; L130-F187 HydrophobicContact CG-CE1 4.32Å; G132-F187 VanDerWaalsContact C-CD1 3.46Å; G132-F187 WeakPolarHBondContact O-CE1 3.28Å; P133-F187 HydrophobicContact CB-CD2 4.37Å; P133-F187 HydrophobicContact CB-CG 4.5Å; P133-F187 HydrophobicContact CG-CB 3.76Å; P133-F187 HydrophobicContact CG-CD1 4.43Å; P133-F187 HydrophobicContact CG-CD2 4.1Å; P133-F187 HydrophobicContact CG-CG 3.83Å; H150-F187 AromaticContact CE1-CZ 3.91Å; H150-F187 AromaticContact NE2-CE2 3.79Å; H150-F187 AromaticContact NE2-CZ 3.21Å; H150-F187 WeakPolarHBondContact NE2-CZ 3.48Å; M154-F187 HydrophobicContact CE-CZ 4.19Å; M154-F187 HydrophobicContact SD-CE1 4.36Å; M154-F187 HydrophobicContact SD-CZ 3.74Å; Q183-F187 WeakPolarHBondContact O-CB 3.39Å; Q183-F187 PolarHBondContact O-N 3.03Å; Q183-F187 VanDerWaalsContact O-N 3.14Å; V184-F187 PolarHBondContact O-N 3.23Å; Y185-F187 VanDerWaalsContact C-N 3.31Å; Y185-F187 PolarHBondContact O-N 3.05Å; F187-D190 PolarHBondContact O-N 2.85Å; F187-A191 WeakPolarHBondContact O-CB 3.21Å; F187-A191 PolarHBondContact O-N 2.72Å
188L98.8Very high98.5Very high0 Ų042.5 Ų42.50%022%0.224CC..Hα-helixtrans-66.3-44.7179.1-66172.1000111.3L130 V169 V171 V184 Y185 N186 D190 A191 G192 V193 I196 F198L130-L188 HydrophobicContact CD2-CD2 4.02Å; L130-L188 HydrophobicContact CG-CD2 4.2Å; V169-L188 HydrophobicContact CG1-CD2 3.84Å; V171-L188 HydrophobicContact CG2-CD1 3.54Å; V184-L188 HydrophobicContact CG1-CD1 4.24Å; V184-L188 WeakPolarHBondContact O-CG 3.46Å; V184-L188 PolarHBondContact O-N 3.29Å; Y185-L188 PolarHBondContact O-N 3.44Å; N186-L188 VanDerWaalsContact C-N 3.31Å; N186-L188 PolarHBondContact O-N 2.94Å; L188-D190 PolarHBondContact O-N 2.84Å; L188-A191 PolarHBondContact O-N 3.32Å; L188-G192 PolarHBondContact O-N 3.16Å; L188-V193 HydrophobicContact CB-CB 4.2Å; L188-V193 HydrophobicContact CB-CG2 4.46Å; L188-V193 HydrophobicContact CD2-CG2 4.36Å; L188-V193 VanDerWaalsContact O-CB 3.27Å; L188-V193 WeakPolarHBondContact O-CB 3.21Å; L188-V193 WeakPolarHBondContact O-CG2 3.5Å; L188-V193 PolarHBondContact O-N 3.01Å; L188-I196 HydrophobicContact CB-CD1 3.98Å; L188-I196 HydrophobicContact CD1-CD1 4.15Å; L188-I196 HydrophobicContact CD1-CG1 4.4Å; L188-I196 HydrophobicContact CD1-CG2 3.92Å; L188-F198 HydrophobicContact CD1-CE1 4.5Å
189C98.4Very high98.4Very high23 Ų2344.8 Ų44.816%0.15524%0.235CC..Hα-helixtrans-59.4-45.7174.9-63.50000111.9Y185 N186 A191 G192Y185-C189 VanDerWaalsContact CE1-SG 3.54Å; Y185-C189 PolarHBondContact O-N 3.18Å; Y185-C189 VanDerWaalsContact O-N 3.07Å; Y185-C189 PolarHBondContact O-SG 2.9Å; Y185-C189 VanDerWaalsContact O-SG 3.39Å; N186-C189 PolarHBondContact O-N 3.27Å; C189-A191 PolarHBondContact O-N 3.32Å; C189-G192 PolarHBondContact O-N 3.38Å
190D98.4Very high98.4Very high138 Ų13841.9 Ų41.974%0.73823%0.226SC*.Hα-helixtrans-65.2-28.2179.3-68.2-17.5000111.8N186 F187 L188 G192N186-D190 WeakPolarHBondContact O-CB 3.27Å; N186-D190 PolarHBondContact O-N 2.68Å; F187-D190 PolarHBondContact O-N 2.85Å; L188-D190 PolarHBondContact O-N 2.84Å; D190-G192 PolarHBondContact O-N 3.03Å
191A98.4Very high98.4Very high21 Ų2138.7 Ų38.717%0.17421%0.212CC..THydrogen-bonded Turntrans-77.9-0.1172.700000113.9M154 L157 Q161 F187 L188 C189 V193M154-A191 HydrophobicContact CE-CB 4.07Å; L157-A191 HydrophobicContact CD2-CB 3.97Å; Q161-A191 PolarHBondContact NE2-O 3.23Å; F187-A191 WeakPolarHBondContact O-CB 3.21Å; F187-A191 PolarHBondContact O-N 2.72Å; L188-A191 PolarHBondContact O-N 3.32Å; C189-A191 PolarHBondContact O-N 3.32Å; A191-V193 HydrophobicContact CB-CG2 4.37Å
192G98.3Very high98.2Very high40 Ų4041.3 Ų41.341%0.41223%0.227SC..THydrogen-bonded Turntrans79.221.2179.900000114.1Y167 L188 C189 D190Y167-G192 PolarHBondContact OH-O 3.43Å; L188-G192 PolarHBondContact O-N 3.16Å; C189-G192 PolarHBondContact O-N 3.38Å; D190-G192 PolarHBondContact O-N 3.03Å
193V98.7Very high98Very high0 Ų039.8 Ų39.80%022%0.218CC..  trans-82.4123.8176.81790000109.6L157 Y167 V169 L188 A191 I196L157-V193 HydrophobicContact CD1-CG2 4.25Å; L157-V193 HydrophobicContact CD2-CG2 4.08Å; Y167-V193 HydrophobicContact CE2-CG2 4.4Å; V169-V193 HydrophobicContact CB-CG1 3.73Å; V169-V193 HydrophobicContact CG2-CB 4.26Å; V169-V193 HydrophobicContact CG2-CG1 3.51Å; V169-V193 HydrophobicContact CG2-CG2 3.68Å; L188-V193 HydrophobicContact CB-CB 4.2Å; L188-V193 HydrophobicContact CB-CG2 4.46Å; L188-V193 HydrophobicContact CD2-CG2 4.36Å; L188-V193 VanDerWaalsContact O-CB 3.27Å; L188-V193 WeakPolarHBondContact O-CB 3.21Å; L188-V193 WeakPolarHBondContact O-CG2 3.5Å; L188-V193 PolarHBondContact O-N 3.01Å; A191-V193 HydrophobicContact CB-CG2 4.37Å; V193-I196 HydrophobicContact CG1-CD1 4.44Å; V193-I196 HydrophobicContact CG1-CG1 3.73Å
194E98.3Very high97.8Very high104 Ų10438.5 Ų38.549%0.48621%0.21SC..  trans-100.4-35.5179.8-63.9-178.617500112.7I256 F257E194-I256 HydrophobicContact CG-CD1 4.39Å; E194-I256 CarbonylContact O-C 3.17Å; E194-I256 WeakPolarHBondContact O-CA 3.37Å; E194-I256 WeakPolarHBondContact O-CG2 3.44Å; E194-F257 PolarHBondContact O-N 3.02Å
195F98.6Very high97.5Very high79 Ų7942.1 Ų42.135%0.34623%0.229SC..EExtended strand (participates in β ladder)trans-109.1117.4-177.6-62.2-90.3000111.2N168 V169 F257N168-F195 WeakPolarHBondContact CA-O 3.46Å; N168-F195 HydrophobicContact CB-CB 4.19Å; N168-F195 WeakPolarHBondContact OD1-CB 3.35Å; V169-F195 PolarHBondContact N-O 3.03Å; F195-F257 WeakPolarHBondContact CA-O 3.45Å; F195-F257 HydrophobicContact CD1-CB 3.52Å; F195-F257 AromaticContact CD1-CD2 3.94Å; F195-F257 HydrophobicContact CD1-CD2 3.94Å; F195-F257 AromaticContact CD1-CG 3.88Å; F195-F257 HydrophobicContact CD1-CG 3.88Å; F195-F257 HydrophobicContact CE1-CB 3.74Å; F195-F257 HydrophobicContact CE1-CD1 4.27Å; F195-F257 AromaticContact CE1-CD2 3.46Å; F195-F257 HydrophobicContact CE1-CD2 3.46Å; F195-F257 VanDerWaalsContact CE1-CD2 3.46Å; F195-F257 HydrophobicContact CE1-CE2 4.12Å; F195-F257 AromaticContact CE1-CG 3.55Å; F195-F257 HydrophobicContact CE1-CG 3.55Å; F195-F257 HydrophobicContact CE2-CD2 4.25Å; F195-F257 HydrophobicContact CG-CB 4.32Å; F195-F257 AromaticContact CZ-CD2 3.63Å; F195-F257 HydrophobicContact CZ-CD2 3.63Å; F195-F257 AromaticContact CZ-CE2 3.94Å; F195-F257 HydrophobicContact CZ-CE2 3.94Å; F195-F257 HydrophobicContact CZ-CG 4.2Å
196I98.7Very high97.3Very high0 Ų043.5 Ų43.50%024%0.241CC..EExtended strand (participates in β ladder)trans-127.3131.1-171.1-54.3169.9000110.5V171 Y185 L188 V193 F198 I256 F257 V258 M259V171-I196 HydrophobicContact CG2-CG2 4.04Å; Y185-I196 HydrophobicContact CD2-CD1 4.28Å; Y185-I196 HydrophobicContact CE2-CD1 4.24Å; L188-I196 HydrophobicContact CB-CD1 3.98Å; L188-I196 HydrophobicContact CD1-CD1 4.15Å; L188-I196 HydrophobicContact CD1-CG1 4.4Å; L188-I196 HydrophobicContact CD1-CG2 3.92Å; V193-I196 HydrophobicContact CG1-CD1 4.44Å; V193-I196 HydrophobicContact CG1-CG1 3.73Å; I196-F198 HydrophobicContact CG2-CD1 4.46Å; I196-F198 HydrophobicContact CG2-CD2 4.18Å; I196-F198 HydrophobicContact CG2-CE1 3.93Å; I196-F198 HydrophobicContact CG2-CE2 3.63Å; I196-F198 HydrophobicContact CG2-CZ 3.48Å; I196-F198 VanDerWaalsContact CG2-CZ 3.48Å; I196-I256 HydrophobicContact CD1-CG2 3.84Å; I196-F257 PolarHBondContact N-O 3.32Å; I196-V258 WeakPolarHBondContact O-CA 3.4Å; I196-M259 PolarHBondContact O-N 3.1Å
197Q98.3Very high96.9Very high45 Ų4544.4 Ų44.421%0.2125%0.245CC..EExtended strand (participates in β ladder)trans-119.9122.3170.3-173.8-176.6-12.400110.3V169 L170 V171 I199 M259 W263V169-Q197 PolarHBondContact O-N 2.91Å; L170-Q197 WeakPolarHBondContact CA-O 3.08Å; L170-Q197 HydrophobicContact CG-CB 4.41Å; V171-Q197 PolarHBondContact N-O 3.35Å; Q197-I199 HydrophobicContact CG-CG1 4.07Å; Q197-M259 HydrophobicContact CB-SD 3.79Å; Q197-M259 HydrophobicContact CG-SD 4.27Å; Q197-W263 HydrophobicContact CG-CH2 3.85Å; Q197-W263 HydrophobicContact CG-CZ3 4.32Å
198F98.5Very high96.6Very high2 Ų249 Ų491%0.00927%0.268CS..EExtended strand (participates in β ladder)trans-94.9124.9171.3-62.3-71.4000110.2V171 V173 V184 L188 I196 F237 F240 L241 I244 V258 N260V171-F198 HydrophobicContact CB-CD1 3.61Å; V171-F198 HydrophobicContact CB-CE1 3.92Å; V171-F198 HydrophobicContact CG1-CD1 3.75Å; V171-F198 HydrophobicContact CG1-CE1 3.88Å; V171-F198 HydrophobicContact CG2-CD1 3.99Å; V171-F198 HydrophobicContact CG2-CE1 3.85Å; V173-F198 HydrophobicContact CG2-CB 3.86Å; V173-F198 HydrophobicContact CG2-CD1 3.82Å; V173-F198 HydrophobicContact CG2-CG 4.27Å; V184-F198 HydrophobicContact CG1-CE1 4.02Å; L188-F198 HydrophobicContact CD1-CE1 4.5Å; I196-F198 HydrophobicContact CG2-CD1 4.46Å; I196-F198 HydrophobicContact CG2-CD2 4.18Å; I196-F198 HydrophobicContact CG2-CE1 3.93Å; I196-F198 HydrophobicContact CG2-CE2 3.63Å; I196-F198 HydrophobicContact CG2-CZ 3.48Å; I196-F198 VanDerWaalsContact CG2-CZ 3.48Å; F198-F237 HydrophobicContact CB-CE2 4.45Å; F198-F240 HydrophobicContact CB-CE1 4.17Å; F198-F240 AromaticContact CD1-CE1 3.46Å; F198-F240 HydrophobicContact CD1-CE1 3.46Å; F198-F240 VanDerWaalsContact CD1-CE1 3.46Å; F198-F240 AromaticContact CD1-CZ 3.6Å; F198-F240 HydrophobicContact CD1-CZ 3.6Å; F198-F240 HydrophobicContact CD2-CE1 4.13Å; F198-F240 AromaticContact CE1-CE1 3.82Å; F198-F240 HydrophobicContact CE1-CE1 3.82Å; F198-F240 AromaticContact CE1-CZ 3.64Å; F198-F240 HydrophobicContact CE1-CZ 3.64Å; F198-F240 HydrophobicContact CE2-CE1 4.42Å; F198-F240 AromaticContact CG-CE1 3.65Å; F198-F240 HydrophobicContact CG-CE1 3.65Å; F198-F240 HydrophobicContact CG-CZ 4.27Å; F198-F240 HydrophobicContact CZ-CE1 4.29Å; F198-F240 HydrophobicContact CZ-CZ 4.32Å; F198-L241 HydrophobicContact CB-CD2 4.28Å; F198-L241 HydrophobicContact CD2-CD2 4.21Å; F198-I244 HydrophobicContact CD2-CD1 4.2Å; F198-I244 HydrophobicContact CE1-CD1 4.03Å; F198-I244 HydrophobicContact CE2-CD1 3.5Å; F198-I244 VanDerWaalsContact CE2-CD1 3.5Å; F198-I244 HydrophobicContact CE2-CG2 4.32Å; F198-I244 HydrophobicContact CZ-CD1 3.41Å; F198-I244 VanDerWaalsContact CZ-CD1 3.41Å; F198-V258 HydrophobicContact CD2-CG1 3.86Å; F198-V258 HydrophobicContact CE2-CG1 3.72Å; F198-N260 PolarHBondContact N-OD1 2.78Å; F198-N260 PolarHBondContact O-ND2 3.02Å; F198-N260 PolarHBondContact O-OD1 2.98Å
199I97.7Very high96.1Very high54 Ų5453.3 Ų53.328%0.27729%0.294SS..EExtended strand (participates in β ladder)trans-116.6116.3-176.8-54.9172.6000107.8L170 V171 C172 V173 Q197 V201L170-I199 HydrophobicContact CB-CD1 4.03Å; L170-I199 HydrophobicContact CD2-CD1 3.84Å; L170-I199 HydrophobicContact CG-CD1 4.42Å; V171-I199 PolarHBondContact O-N 2.97Å; C172-I199 CarbonylContact C-O 3.58Å; C172-I199 WeakPolarHBondContact CA-O 2.91Å; V173-I199 PolarHBondContact N-O 2.91Å; Q197-I199 HydrophobicContact CG-CG1 4.07Å; I199-V201 PolarHBondContact O-N 3.18Å
200P97.6Very high95.8Very high55 Ų5552.5 Ų52.536%0.35729%0.289SS..EExtended strand (participates in β ladder)trans-68.4127.6178.430-33.5000109.7V202 V232 F237P200-V202 HydrophobicContact CB-CG2 4.11Å; P200-V202 PolarHBondContact O-N 2.72Å; P200-V232 HydrophobicContact CB-CG1 3.73Å; P200-F237 HydrophobicContact CB-CD1 4.03Å; P200-F237 HydrophobicContact CB-CD2 4.03Å; P200-F237 HydrophobicContact CB-CE1 3.96Å; P200-F237 HydrophobicContact CB-CE2 3.97Å; P200-F237 HydrophobicContact CB-CG 4.07Å; P200-F237 HydrophobicContact CB-CZ 3.93Å; P200-F237 HydrophobicContact CG-CD1 4.35Å; P200-F237 HydrophobicContact CG-CE1 3.89Å; P200-F237 HydrophobicContact CG-CE2 4.49Å; P200-F237 HydrophobicContact CG-CZ 3.98Å
201V97.4Very high95.4Very high9 Ų948.6 Ų48.66%0.05528%0.276CS..  trans-82.3111.2171.3-178.30000107.5Y27 C172 V173 N174 I199 W230 S231 V232Y27-V201 HydrophobicContact CD1-CG2 4.48Å; Y27-V201 HydrophobicContact CD2-CG1 4.43Å; Y27-V201 HydrophobicContact CD2-CG2 4.43Å; Y27-V201 HydrophobicContact CG-CG1 4Å; Y27-V201 HydrophobicContact CG-CG2 4.34Å; C172-V201 HydrophobicContact CB-CG2 3.58Å; V173-V201 PolarHBondContact O-N 2.57Å; N174-V201 HydrophobicContact CB-CB 4.35Å; N174-V201 HydrophobicContact CB-CG2 4.35Å; I199-V201 PolarHBondContact O-N 3.18Å; V201-W230 VanDerWaalsContact CG1-CD1 3.49Å; V201-S231 CarbonylContact O-C 3.51Å; V201-S231 VanDerWaalsContact O-CA 3.23Å; V201-S231 WeakPolarHBondContact O-CA 3.34Å; V201-V232 PolarHBondContact O-N 2.88Å
202V95Very high95Very high76 Ų7656.2 Ų56.246%0.46130%0.3SS..  trans-138.494-178.7-1740000109.3P200 L227 V232P200-V202 HydrophobicContact CB-CG2 4.11Å; P200-V202 PolarHBondContact O-N 2.72Å; V202-L227 HydrophobicContact CG1-CD2 3.89Å; V202-V232 HydrophobicContact CG2-CG1 4.03Å
203E94.1Very high94.6Very high36 Ų3658.9 Ų58.917%0.16830%0.302CS..  trans-118.2150.6-179.7-61.2-56.6157.500111.9F29 L217 L227 T228 S231F29-E203 WeakPolarHBondContact CD1-OE1 3.5Å; E203-L217 HydrophobicContact CB-CD1 4.03Å; E203-L217 HydrophobicContact CB-CD2 4.13Å; E203-L217 HydrophobicContact CG-CD1 3.87Å; E203-L227 WeakPolarHBondContact O-CA 3.49Å; E203-L227 WeakPolarHBondContact O-CD2 3.4Å; E203-T228 HydrophobicContact CB-CG2 3.84Å; E203-T228 PolarHBondContact O-N 3.04Å; E203-T228 PolarHBondContact O-OG1 2.51Å; E203-S231 PolarHBondContact N-OG 2.74Å; E203-S231 PolarHBondContact O-OG 2.86Å
204R93.6Very high94.1Very high44 Ų4461 Ų6117%0.16632%0.324CS..BIsolated β-bridgetrans-113.9144.2177.7-63.9-179.9-63.1-175.4-3.1110.5L217 H218 A219 D222 I223 Q224 E226 L227R204-L217 CarbonylContact O-C 3.54Å; R204-L217 VanDerWaalsContact O-CA 3.25Å; R204-L217 WeakPolarHBondContact O-CA 3.28Å; R204-H218 HydrophobicContact CB-CB 3.72Å; R204-H218 PolarHBondContact O-N 3.46Å; R204-A219 PolarHBondContact NH2-O 3.16Å; R204-D222 PolarHBondContact NH1-O 3.46Å; R204-I223 VanDerWaalsContact NH1-CA 3.32Å; R204-Q224 VanDerWaalsContact CD-O 3.27Å; R204-Q224 WeakPolarHBondContact CD-O 3.3Å; R204-Q224 PolarHBondContact NH1-O 2.99Å; R204-E226 CarbonylContact C-O 3.58Å; R204-E226 VanDerWaalsContact CA-O 3.28Å; R204-E226 WeakPolarHBondContact CA-O 3.3Å; R204-L227 HydrophobicContact CG-CD2 3.95Å
205L93.5Very high93.8Very high75 Ų7556.8 Ų56.839%0.39330%0.304SS..BIsolated β-bridgetrans-61.7140.8172.6-64.3176.2000110.2D207 E226 T228L205-D207 PolarHBondContact O-N 3Å; L205-E226 HydrophobicContact CD1-CB 4.13Å; L205-E226 HydrophobicContact CD1-CG 4.16Å; L205-E226 PolarHBondContact N-O 3.15Å; L205-T228 HydrophobicContact CD2-CG2 3.99Å; L205-T228 HydrophobicContact CG-CG2 4.46Å
206A92.8Very high93.5Very high30 Ų3061 Ų6125%0.24832%0.322CS..  trans-54.7136.7175.400000111.5A210 A211 L215 K216A206-A210 HydrophobicContact CB-CB 3.84Å; A206-A211 HydrophobicContact CB-CB 4.39Å; A206-L215 WeakPolarHBondContact CB-O 3.41Å; A206-K216 WeakPolarHBondContact CB-O 3.36Å; A206-K216 PolarHBondContact N-O 2.79Å
207D91.8Very high93.2Very high57 Ų5761.4 Ų61.431%0.30533%0.325SS..  trans-76.2177.9162.874-29.2000110.2L205 T209 A210 A211L205-D207 PolarHBondContact O-N 3Å; D207-T209 PolarHBondContact O-N 3.46Å; D207-T209 PolarHBondContact OD1-N 3.22Å; D207-T209 VanDerWaalsContact OD2-CB 3.28Å; D207-T209 WeakPolarHBondContact OD2-CB 3.33Å; D207-T209 PolarHBondContact OD2-OG1 3.33Å; D207-A210 PolarHBondContact O-N 3.12Å; D207-A210 WeakPolarHBondContact OD1-CB 3.36Å; D207-A210 PolarHBondContact OD1-N 3.33Å; D207-A211 VanDerWaalsContact O-CB 3.3Å; D207-A211 WeakPolarHBondContact O-CB 3.08Å; D207-A211 PolarHBondContact O-N 3.21Å
208E90.8Very high92.8Very high141 Ų14161 Ų6166%0.65932%0.323SS*.Hα-helixtrans-58.1-32.1177.6-67.6-172.1-172.500112.8R212E208-R212 VanDerWaalsContact O-CG 3.24Å; E208-R212 WeakPolarHBondContact O-CG 3.37Å; E208-R212 PolarHBondContact O-N 3.5Å; E208-R212 PolarHBondContact O-NE 3.01Å; E208-R212 IonicContact OE2-NH2 3.21Å; E208-R212 PolarHBondContact OE2-NH2 3.06Å
209T89.9Confident92.1Very high91 Ų9162.7 Ų62.756%0.55834%0.337SS*.Hα-helixtrans-69.4-54.5-179-43.40000110.5D207 A211 R212 E213D207-T209 PolarHBondContact O-N 3.46Å; D207-T209 PolarHBondContact OD1-N 3.22Å; D207-T209 VanDerWaalsContact OD2-CB 3.28Å; D207-T209 WeakPolarHBondContact OD2-CB 3.33Å; D207-T209 PolarHBondContact OD2-OG1 3.33Å; T209-A211 VanDerWaalsContact C-N 3.28Å; T209-A211 PolarHBondContact O-N 2.94Å; T209-R212 PolarHBondContact O-N 3.13Å; T209-R212 VanDerWaalsContact O-N 3.16Å; T209-E213 PolarHBondContact O-N 3.25Å
210A90.7Very high91.2Very high5 Ų566.3 Ų66.34%0.04136%0.364CS..Hα-helixtrans-60.9-39178.700000111.4A206 D207 R212 E213 G214 L215A206-A210 HydrophobicContact CB-CB 3.84Å; D207-A210 PolarHBondContact O-N 3.12Å; D207-A210 WeakPolarHBondContact OD1-CB 3.36Å; D207-A210 PolarHBondContact OD1-N 3.33Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.42Å; A210-E213 CarbonylContact O-C 3.57Å; A210-E213 PolarHBondContact O-N 2.92Å; A210-E213 VanDerWaalsContact O-N 3.1Å; A210-G214 PolarHBondContact O-N 3.41Å; A210-L215 HydrophobicContact CB-CB 4.13Å; A210-L215 HydrophobicContact CB-CD1 4.19Å; A210-L215 WeakPolarHBondContact O-CB 3.31Å; A210-L215 PolarHBondContact O-N 2.82Å
211A90.8Very high90.3Very high56 Ų5666.5 Ų66.546%0.46338%0.376SS..Hα-helixtrans-61.9-37.2176.900000112.8A206 D207 T209 E213 G214A206-A211 HydrophobicContact CB-CB 4.39Å; D207-A211 VanDerWaalsContact O-CB 3.3Å; D207-A211 WeakPolarHBondContact O-CB 3.08Å; D207-A211 PolarHBondContact O-N 3.21Å; T209-A211 VanDerWaalsContact C-N 3.28Å; T209-A211 PolarHBondContact O-N 2.94Å; A211-E213 VanDerWaalsContact C-N 3.27Å; A211-E213 PolarHBondContact O-N 3.38Å; A211-G214 PolarHBondContact O-N 3.07Å
212R91Very high89.4Confident181 Ų18172 Ų7268%0.68341%0.405SS*.Hα-helixtrans-65.3-31.9175.1-71.4170.7-152.2-173.17.4112.3E208 T209 A210 G214E208-R212 VanDerWaalsContact O-CG 3.24Å; E208-R212 WeakPolarHBondContact O-CG 3.37Å; E208-R212 PolarHBondContact O-N 3.5Å; E208-R212 PolarHBondContact O-NE 3.01Å; E208-R212 IonicContact OE2-NH2 3.21Å; E208-R212 PolarHBondContact OE2-NH2 3.06Å; T209-R212 PolarHBondContact O-N 3.13Å; T209-R212 VanDerWaalsContact O-N 3.16Å; A210-R212 VanDerWaalsContact C-N 3.32Å; A210-R212 PolarHBondContact O-N 3.42Å; R212-G214 PolarHBondContact O-N 3.31Å
213E88.3Confident88.7Confident97 Ų9776.4 Ų76.445%0.45342%0.424SS..THydrogen-bonded Turntrans-79.24.8173.2-61.8-55.5146.200113.2S35 R38 T209 A210 A211 L215S35-E213 VanDerWaalsContact CB-O 3.22Å; S35-E213 WeakPolarHBondContact CB-O 3.43Å; S35-E213 PolarHBondContact OG-O 3.45Å; R38-E213 PolarHBondContact NH2-O 2.89Å; T209-E213 PolarHBondContact O-N 3.25Å; A210-E213 CarbonylContact O-C 3.57Å; A210-E213 PolarHBondContact O-N 2.92Å; A210-E213 VanDerWaalsContact O-N 3.1Å; A211-E213 VanDerWaalsContact C-N 3.27Å; A211-E213 PolarHBondContact O-N 3.38Å; E213-L215 VanDerWaalsContact C-N 3.29Å; E213-L215 HydrophobicContact CB-CG 4.34Å
214G88.8Confident88Confident45 Ų4580.9 Ų80.946%0.46445%0.445SS..THydrogen-bonded Turntrans76.515.4178.600000114A210 A211 R212A210-G214 PolarHBondContact O-N 3.41Å; A211-G214 PolarHBondContact O-N 3.07Å; R212-G214 PolarHBondContact O-N 3.31Å
215L91.7Very high87.5Confident15 Ų1581.7 Ų81.78%0.07947%0.467CS..  trans-85.4142.6174.8-54176.2000109.9E32 K33 S35 L36 A206 A210 E213E32-L215 HydrophobicContact CB-CD2 4.29Å; E32-L215 HydrophobicContact CG-CD2 4.14Å; K33-L215 HydrophobicContact CD-CD2 4.24Å; S35-L215 VanDerWaalsContact OG-CD2 3.25Å; S35-L215 WeakPolarHBondContact OG-CD2 3.3Å; L36-L215 HydrophobicContact CD2-CD1 4.46Å; L36-L215 HydrophobicContact CD2-CD2 4.46Å; A206-L215 WeakPolarHBondContact CB-O 3.41Å; A210-L215 HydrophobicContact CB-CB 4.13Å; A210-L215 HydrophobicContact CB-CD1 4.19Å; A210-L215 WeakPolarHBondContact O-CB 3.31Å; A210-L215 PolarHBondContact O-N 2.82Å; E213-L215 VanDerWaalsContact C-N 3.29Å; E213-L215 HydrophobicContact CB-CG 4.34Å
216K92.1Very high87.4Confident166 Ų16684.9 Ų84.972%0.72248%0.48SS*.SBendtrans-90.4-23.7170.9-62.5179.3-177.9176.10111.4E32 A206E32-K216 WeakPolarHBondContact OE2-CA 3.33Å; E32-K216 PolarHBondContact OE2-N 2.89Å; A206-K216 WeakPolarHBondContact CB-O 3.36Å; A206-K216 PolarHBondContact N-O 2.79Å
217L92.9Very high87.4Confident9 Ų985.9 Ų85.95%0.04748%0.481CS..BIsolated β-bridgetrans-110155.4-179.7-53.4-178.3000112.1F29 E32 E203 R204 T228 W230F29-L217 HydrophobicContact CB-CD1 3.57Å; E32-L217 PolarHBondContact OE2-N 2.87Å; E32-L217 VanDerWaalsContact OE2-N 3.14Å; E203-L217 HydrophobicContact CB-CD1 4.03Å; E203-L217 HydrophobicContact CB-CD2 4.13Å; E203-L217 HydrophobicContact CG-CD1 3.87Å; R204-L217 CarbonylContact O-C 3.54Å; R204-L217 VanDerWaalsContact O-CA 3.25Å; R204-L217 WeakPolarHBondContact O-CA 3.28Å; L217-T228 HydrophobicContact CD2-CG2 3.72Å; L217-W230 HydrophobicContact CD2-CZ2 4.28Å
218H90.4Very high87.6Confident36 Ų3683.3 Ų83.317%0.16747%0.467CS..PPolyproline II helixtrans-67.9143.1179.7-157.4-71.2000111.5R204R204-H218 HydrophobicContact CB-CB 3.72Å; R204-H218 PolarHBondContact O-N 3.46Å
219A83.5Confident87.8Confident39 Ų3983.4 Ų83.432%0.32247%0.468SS..PPolyproline II helixtrans-66.7157.8171.300000111.9R204R204-A219 PolarHBondContact NH2-O 3.16Å
220P79.5Confident88.1Confident130 Ų13080.9 Ų80.984%0.84445%0.448SS*.SBendtrans-55.5144.1168.1-23.934.2000111.6
221G78.8Confident88.4Confident58 Ų5880.7 Ų80.760%0.59845%0.446SS*.SBendtrans147.5-154.4-177.200000112.7
222D76.8Confident88.8Confident125 Ų12578.2 Ų78.267%0.66843%0.425SS*.SBendtrans-48.9142.5-176.8-73.8-25.8000112.8R204 Q224R204-D222 PolarHBondContact NH1-O 3.46Å; D222-Q224 HydrophobicContact CB-CG 4.23Å; D222-Q224 PolarHBondContact O-N 3.15Å
223I80.5Confident89Confident168 Ų16875 Ų7586%0.86241%0.413SS*.SBendtrans-74.871.1179.2-51.4178.1000109.6R204R204-I223 VanDerWaalsContact NH1-CA 3.32Å
224Q79.7Confident89.4Confident130 Ų13074.9 Ų74.961%0.60742%0.421SS*.  trans-126165175-60.4-173.514.300109.9R204 D222R204-Q224 VanDerWaalsContact CD-O 3.27Å; R204-Q224 WeakPolarHBondContact CD-O 3.3Å; R204-Q224 PolarHBondContact NH1-O 2.99Å; D222-Q224 HydrophobicContact CB-CG 4.23Å; D222-Q224 PolarHBondContact O-N 3.15Å
225G82.8Confident89.8Confident61 Ų6179 Ų7963%0.62943%0.428SS*.SBendtrans95.9167.8179.600000114.2
226E91.4Very high90.1Very high142 Ų14280.2 Ų80.266%0.66443%0.434SS*.PPolyproline II helixtrans-90.1142.5179.2-178.5174.6-16900110.6R204 L205R204-E226 CarbonylContact C-O 3.58Å; R204-E226 VanDerWaalsContact CA-O 3.28Å; R204-E226 WeakPolarHBondContact CA-O 3.3Å; L205-E226 HydrophobicContact CD1-CB 4.13Å; L205-E226 HydrophobicContact CD1-CG 4.16Å; L205-E226 PolarHBondContact N-O 3.15Å
227L93.8Very high90.4Very high52 Ų5274 Ų7427%0.27241%0.407SS..BIsolated β-bridgetrans-74.4143.4174.8-71.5173000110.8V202 E203 R204V202-L227 HydrophobicContact CG1-CD2 3.89Å; E203-L227 WeakPolarHBondContact O-CA 3.49Å; E203-L227 WeakPolarHBondContact O-CD2 3.4Å; R204-L227 HydrophobicContact CG-CD2 3.95Å
228T95.2Very high90.6Very high2 Ų275.2 Ų75.21%0.01242%0.421CS..PPolyproline II helixtrans-60.7159.3169.663.90000111.8E203 L205 L217 W230 S231E203-T228 HydrophobicContact CB-CG2 3.84Å; E203-T228 PolarHBondContact O-N 3.04Å; E203-T228 PolarHBondContact O-OG1 2.51Å; L205-T228 HydrophobicContact CD2-CG2 3.99Å; L205-T228 HydrophobicContact CG-CG2 4.46Å; L217-T228 HydrophobicContact CD2-CG2 3.72Å; T228-W230 VanDerWaalsContact C-N 3.27Å; T228-W230 VanDerWaalsContact CB-CE2 3.48Å; T228-W230 HydrophobicContact CG2-CH2 4.12Å; T228-W230 HydrophobicContact CG2-CZ2 3.56Å; T228-W230 PolarHBondContact O-N 2.85Å; T228-W230 VanDerWaalsContact OG1-CD1 3.27Å; T228-W230 VanDerWaalsContact OG1-CE2 3.25Å; T228-W230 PolarHBondContact OG1-NE1 2.87Å; T228-S231 WeakPolarHBondContact O-CB 3.45Å; T228-S231 PolarHBondContact O-N 3.29Å; T228-S231 PolarHBondContact OG1-OG 2.9Å
229E95.7Very high91Very high143 Ų14379.6 Ų79.667%0.66844%0.442SS*.THydrogen-bonded Turntrans-65.1-29.9-176.764.6-178.616700113.5R175R175-E229 PolarHBondContact NH1-O 3.23Å
230W96.4Very high91.7Very high39 Ų3977.8 Ų77.815%0.14843%0.427CS..THydrogen-bonded Turntrans-84-12.4178.954.976.5000113.3Y27 Y140 N174 R175 V201 L217 T228 V232Y27-W230 VanDerWaalsContact CB-CD1 3.44Å; Y140-W230 HydrophobicContact CE1-CB 3.77Å; Y140-W230 HydrophobicContact CE1-CG 4.49Å; Y140-W230 HydrophobicContact CE2-CB 4.43Å; N174-W230 CarbonylContact C-O 3.53Å; N174-W230 WeakPolarHBondContact CA-O 3.24Å; N174-W230 HydrophobicContact CB-CB 4.49Å; N174-W230 WeakPolarHBondContact CB-O 3.47Å; R175-W230 PolarHBondContact N-O 2.79Å; V201-W230 VanDerWaalsContact CG1-CD1 3.49Å; L217-W230 HydrophobicContact CD2-CZ2 4.28Å; T228-W230 VanDerWaalsContact C-N 3.27Å; T228-W230 VanDerWaalsContact CB-CE2 3.48Å; T228-W230 HydrophobicContact CG2-CH2 4.12Å; T228-W230 HydrophobicContact CG2-CZ2 3.56Å; T228-W230 PolarHBondContact O-N 2.85Å; T228-W230 VanDerWaalsContact OG1-CD1 3.27Å; T228-W230 VanDerWaalsContact OG1-CE2 3.25Å; T228-W230 PolarHBondContact OG1-NE1 2.87Å; W230-V232 PolarHBondContact O-N 3.41Å
231S97.2Very high92.6Very high0 Ų073.6 Ų73.60%040%0.397CS..PPolyproline II helixtrans-60.6124.3-179.6-71.80000112R175 V201 E203 T228R175-S231 PolarHBondContact NE-O 2.58Å; R175-S231 PolarHBondContact NH2-O 3.09Å; V201-S231 CarbonylContact O-C 3.51Å; V201-S231 VanDerWaalsContact O-CA 3.23Å; V201-S231 WeakPolarHBondContact O-CA 3.34Å; E203-S231 PolarHBondContact N-OG 2.74Å; E203-S231 PolarHBondContact O-OG 2.86Å; T228-S231 WeakPolarHBondContact O-CB 3.45Å; T228-S231 PolarHBondContact O-N 3.29Å; T228-S231 PolarHBondContact OG1-OG 2.9Å
232V97.9Very high93.5Very high4 Ų474.8 Ų74.82%0.02439%0.392CS..PPolyproline II helixtrans-66.9140.117567.70000110.6V173 A178 P200 V201 V202 W230 E236 F237V173-V232 HydrophobicContact CG1-CG2 4.48Å; A178-V232 HydrophobicContact CB-CG2 3.57Å; P200-V232 HydrophobicContact CB-CG1 3.73Å; V201-V232 PolarHBondContact O-N 2.88Å; V202-V232 HydrophobicContact CG2-CG1 4.03Å; W230-V232 PolarHBondContact O-N 3.41Å; V232-E236 HydrophobicContact CG2-CB 4.01Å; V232-F237 HydrophobicContact CG1-CB 4.18Å; V232-F237 HydrophobicContact CG2-CB 3.89Å
233R96.2Very high94.6Very high113 Ų11370.2 Ų70.243%0.42637%0.372SS..PPolyproline II helixtrans-77.4151.6172.7-61.3-70.7-177.2-175.8-6.2110.3E235 E236 F237R233-E235 VanDerWaalsContact C-N 3.34Å; R233-E235 PolarHBondContact O-N 3.28Å; R233-E236 HydrophobicContact CB-CB 4.17Å; R233-E236 HydrophobicContact CB-CG 3.84Å; R233-E236 VanDerWaalsContact CB-OE2 3.3Å; R233-E236 WeakPolarHBondContact CB-OE2 3.43Å; R233-E236 HydrophobicContact CG-CG 4.4Å; R233-E236 WeakPolarHBondContact CG-OE2 3.31Å; R233-E236 PolarHBondContact N-OE2 2.85Å; R233-E236 PolarHBondContact O-N 3.01Å; R233-F237 PolarHBondContact O-N 3.39Å
234P95.6Very high95.4Very high95 Ų9562.3 Ų62.362%0.61733%0.331SS*.Hα-helixtrans-60.8-41.3-177.520.1-28000112.7F237 G238P234-F237 PolarHBondContact O-N 2.88Å; P234-G238 PolarHBondContact O-N 2.82Å
235E97.6Very high96.3Very high131 Ų13159.9 Ų59.961%0.61232%0.319SS*.Hα-helixtrans-64.6-45.2176.5-62.976.2-16600111.5R233 F237 G238 E239R233-E235 VanDerWaalsContact C-N 3.34Å; R233-E235 PolarHBondContact O-N 3.28Å; E235-F237 VanDerWaalsContact C-N 3.31Å; E235-F237 PolarHBondContact O-N 3.29Å; E235-G238 PolarHBondContact O-N 3Å; E235-G238 VanDerWaalsContact O-N 3.12Å; E235-E239 WeakPolarHBondContact O-CG 3.3Å; E235-E239 PolarHBondContact O-N 3.32Å
236E97.9Very high97.1Very high42 Ų4260.7 Ų60.720%0.19631%0.309CS..Hα-helixtrans-59.9-40.4177.9-66.1170.9161.900111.6A178 Q179 V232 R233 F240A178-E236 HydrophobicContact CB-CB 4.2Å; Q179-E236 PolarHBondContact NE2-OE1 3.46Å; V232-E236 HydrophobicContact CG2-CB 4.01Å; R233-E236 HydrophobicContact CB-CB 4.17Å; R233-E236 HydrophobicContact CB-CG 3.84Å; R233-E236 VanDerWaalsContact CB-OE2 3.3Å; R233-E236 WeakPolarHBondContact CB-OE2 3.43Å; R233-E236 HydrophobicContact CG-CG 4.4Å; R233-E236 WeakPolarHBondContact CG-OE2 3.31Å; R233-E236 PolarHBondContact N-OE2 2.85Å; R233-E236 PolarHBondContact O-N 3.01Å; E236-F240 VanDerWaalsContact O-CB 3.29Å; E236-F240 WeakPolarHBondContact O-CB 3.48Å; E236-F240 PolarHBondContact O-N 3.21Å
237F98.2Very high97.4Very high35 Ų3556.2 Ų56.215%0.15429%0.288CS..Hα-helixtrans-68.4-38.1176.4-173.5-121.1000112V173 F198 P200 V232 R233 P234 E235 F240 L241V173-F237 HydrophobicContact CB-CD2 4.17Å; V173-F237 HydrophobicContact CB-CE2 4.06Å; V173-F237 HydrophobicContact CG1-CD2 3.98Å; V173-F237 HydrophobicContact CG1-CE2 4.31Å; V173-F237 HydrophobicContact CG2-CE2 4.11Å; F198-F237 HydrophobicContact CB-CE2 4.45Å; P200-F237 HydrophobicContact CB-CD1 4.03Å; P200-F237 HydrophobicContact CB-CD2 4.03Å; P200-F237 HydrophobicContact CB-CE1 3.96Å; P200-F237 HydrophobicContact CB-CE2 3.97Å; P200-F237 HydrophobicContact CB-CG 4.07Å; P200-F237 HydrophobicContact CB-CZ 3.93Å; P200-F237 HydrophobicContact CG-CD1 4.35Å; P200-F237 HydrophobicContact CG-CE1 3.89Å; P200-F237 HydrophobicContact CG-CE2 4.49Å; P200-F237 HydrophobicContact CG-CZ 3.98Å; V232-F237 HydrophobicContact CG1-CB 4.18Å; V232-F237 HydrophobicContact CG2-CB 3.89Å; R233-F237 PolarHBondContact O-N 3.39Å; P234-F237 PolarHBondContact O-N 2.88Å; E235-F237 VanDerWaalsContact C-N 3.31Å; E235-F237 PolarHBondContact O-N 3.29Å; F237-F240 WeakPolarHBondContact O-CB 3.47Å; F237-F240 PolarHBondContact O-N 3.21Å; F237-L241 HydrophobicContact CD1-CD1 4.15Å; F237-L241 HydrophobicContact CE1-CD1 3.65Å; F237-L241 HydrophobicContact CE1-CG 4.42Å; F237-L241 HydrophobicContact CE2-CD1 4.36Å; F237-L241 HydrophobicContact CE2-CD2 4.46Å; F237-L241 HydrophobicContact CE2-CG 4.28Å; F237-L241 HydrophobicContact CZ-CD1 3.77Å; F237-L241 HydrophobicContact CZ-CD2 4.35Å; F237-L241 HydrophobicContact CZ-CG 4.16Å; F237-L241 WeakPolarHBondContact O-CG 3.48Å; F237-L241 PolarHBondContact O-N 3.22Å; F237-L241 VanDerWaalsContact O-N 3.07Å
238G97.8Very high97.6Very high34 Ų3455.1 Ų55.135%0.35128%0.28SS..Hα-helixtrans-61.5-49.2173.100000112.1P234 E235 F240 L241 V242P234-G238 PolarHBondContact O-N 2.82Å; E235-G238 PolarHBondContact O-N 3Å; E235-G238 VanDerWaalsContact O-N 3.12Å; G238-F240 VanDerWaalsContact C-N 3.32Å; G238-F240 PolarHBondContact O-N 2.96Å; G238-L241 PolarHBondContact O-N 2.86Å; G238-V242 WeakPolarHBondContact O-CG2 3.41Å; G238-V242 PolarHBondContact O-N 2.96Å
239E98.5Very high97.8Very high129 Ų12959 Ų5960%0.60330%0.3SS*.Hα-helixtrans-59.7-41.7176.3-72175.1174.900111.9E235 L241 V242 A243E235-E239 WeakPolarHBondContact O-CG 3.3Å; E235-E239 PolarHBondContact O-N 3.32Å; E239-L241 PolarHBondContact O-N 2.97Å; E239-V242 PolarHBondContact O-N 3.2Å; E239-A243 WeakPolarHBondContact O-CB 3.42Å; E239-A243 PolarHBondContact O-N 3.27Å
240F98.7Very high97.9Very high1 Ų160.4 Ų60.40%0.00430%0.304CS..Hα-helixtrans-57-49.8174.6175.8-85.9000111.8V173 P181 F198 E236 F237 G238 I244V173-F240 HydrophobicContact CG1-CD1 4.25Å; V173-F240 HydrophobicContact CG1-CD2 4.13Å; V173-F240 HydrophobicContact CG1-CE1 4.32Å; V173-F240 HydrophobicContact CG1-CE2 4.16Å; V173-F240 HydrophobicContact CG1-CG 4.16Å; V173-F240 HydrophobicContact CG1-CZ 4.27Å; V173-F240 HydrophobicContact CG2-CD1 4.3Å; V173-F240 HydrophobicContact CG2-CE1 3.69Å; V173-F240 HydrophobicContact CG2-CE2 4.41Å; V173-F240 HydrophobicContact CG2-CZ 3.75Å; P181-F240 VanDerWaalsContact CA-CE2 3.48Å; P181-F240 HydrophobicContact CB-CD2 3.51Å; P181-F240 HydrophobicContact CB-CE2 3.89Å; P181-F240 HydrophobicContact CB-CG 4.05Å; P181-F240 HydrophobicContact CG-CD2 4.4Å; F198-F240 HydrophobicContact CB-CE1 4.17Å; F198-F240 AromaticContact CD1-CE1 3.46Å; F198-F240 HydrophobicContact CD1-CE1 3.46Å; F198-F240 VanDerWaalsContact CD1-CE1 3.46Å; F198-F240 AromaticContact CD1-CZ 3.6Å; F198-F240 HydrophobicContact CD1-CZ 3.6Å; F198-F240 HydrophobicContact CD2-CE1 4.13Å; F198-F240 AromaticContact CE1-CE1 3.82Å; F198-F240 HydrophobicContact CE1-CE1 3.82Å; F198-F240 AromaticContact CE1-CZ 3.64Å; F198-F240 HydrophobicContact CE1-CZ 3.64Å; F198-F240 HydrophobicContact CE2-CE1 4.42Å; F198-F240 AromaticContact CG-CE1 3.65Å; F198-F240 HydrophobicContact CG-CE1 3.65Å; F198-F240 HydrophobicContact CG-CZ 4.27Å; F198-F240 HydrophobicContact CZ-CE1 4.29Å; F198-F240 HydrophobicContact CZ-CZ 4.32Å; E236-F240 VanDerWaalsContact O-CB 3.29Å; E236-F240 WeakPolarHBondContact O-CB 3.48Å; E236-F240 PolarHBondContact O-N 3.21Å; F237-F240 WeakPolarHBondContact O-CB 3.47Å; F237-F240 PolarHBondContact O-N 3.21Å; G238-F240 VanDerWaalsContact C-N 3.32Å; G238-F240 PolarHBondContact O-N 2.96Å; F240-I244 HydrophobicContact CD1-CD1 3.95Å; F240-I244 HydrophobicContact CE1-CD1 3.35Å; F240-I244 HydrophobicContact CE2-CD1 4.31Å; F240-I244 HydrophobicContact CZ-CD1 3.57Å; F240-I244 WeakPolarHBondContact O-CG1 2.88Å; F240-I244 PolarHBondContact O-N 3.49Å
241L98.4Very high97.9Very high41 Ų4164 Ų6422%0.21532%0.317CS..Hα-helixtrans-67.4-39.1179.7-70176.6000112.5F198 F237 G238 E239 I244 F245 N260F198-L241 HydrophobicContact CB-CD2 4.28Å; F198-L241 HydrophobicContact CD2-CD2 4.21Å; F237-L241 HydrophobicContact CD1-CD1 4.15Å; F237-L241 HydrophobicContact CE1-CD1 3.65Å; F237-L241 HydrophobicContact CE1-CG 4.42Å; F237-L241 HydrophobicContact CE2-CD1 4.36Å; F237-L241 HydrophobicContact CE2-CD2 4.46Å; F237-L241 HydrophobicContact CE2-CG 4.28Å; F237-L241 HydrophobicContact CZ-CD1 3.77Å; F237-L241 HydrophobicContact CZ-CD2 4.35Å; F237-L241 HydrophobicContact CZ-CG 4.16Å; F237-L241 WeakPolarHBondContact O-CG 3.48Å; F237-L241 PolarHBondContact O-N 3.22Å; F237-L241 VanDerWaalsContact O-N 3.07Å; G238-L241 PolarHBondContact O-N 2.86Å; E239-L241 PolarHBondContact O-N 2.97Å; L241-I244 PolarHBondContact O-N 3.01Å; L241-F245 WeakPolarHBondContact O-CB 3.39Å; L241-F245 PolarHBondContact O-N 3.31Å; L241-N260 HydrophobicContact CD2-CB 3.87Å
242V98.4Very high97.9Very high83 Ų8364.7 Ų64.750%0.50332%0.321SS..Hα-helixtrans-63.8-45.7177.1169.30000111G238 E239 I244 F245 D246G238-V242 WeakPolarHBondContact O-CG2 3.41Å; G238-V242 PolarHBondContact O-N 2.96Å; E239-V242 PolarHBondContact O-N 3.2Å; V242-I244 VanDerWaalsContact C-N 3.29Å; V242-I244 PolarHBondContact O-N 2.93Å; V242-F245 PolarHBondContact O-N 3.37Å; V242-F245 VanDerWaalsContact O-N 3.16Å; V242-D246 PolarHBondContact O-N 3.24Å
243A98.6Very high97.9Very high30 Ų3068.5 Ų68.525%0.24834%0.344CS..Hα-helixtrans-59.9-40.4177.700000111.9P181 E239 H247P181-A243 HydrophobicContact CB-CB 3.98Å; P181-A243 HydrophobicContact CG-CB 3.61Å; E239-A243 WeakPolarHBondContact O-CB 3.42Å; E239-A243 PolarHBondContact O-N 3.27Å; A243-H247 PolarHBondContact O-N 2.77Å
244I98.7Very high97.8Very high1 Ų166 Ų661%0.00535%0.354CS..Hα-helixtrans-66.3-46174.4-68.2178.3000110.9P181 Y185 F198 F240 L241 V242 D246 H247 W248 V258 I261P181-I244 HydrophobicContact CB-CD1 4.36Å; P181-I244 HydrophobicContact CB-CG1 3.94Å; Y185-I244 HydrophobicContact CD2-CG2 3.61Å; Y185-I244 HydrophobicContact CE2-CG2 3.97Å; Y185-I244 HydrophobicContact CG-CG1 4.45Å; Y185-I244 HydrophobicContact CG-CG2 4.11Å; F198-I244 HydrophobicContact CD2-CD1 4.2Å; F198-I244 HydrophobicContact CE1-CD1 4.03Å; F198-I244 HydrophobicContact CE2-CD1 3.5Å; F198-I244 VanDerWaalsContact CE2-CD1 3.5Å; F198-I244 HydrophobicContact CE2-CG2 4.32Å; F198-I244 HydrophobicContact CZ-CD1 3.41Å; F198-I244 VanDerWaalsContact CZ-CD1 3.41Å; F240-I244 HydrophobicContact CD1-CD1 3.95Å; F240-I244 HydrophobicContact CE1-CD1 3.35Å; F240-I244 HydrophobicContact CE2-CD1 4.31Å; F240-I244 HydrophobicContact CZ-CD1 3.57Å; F240-I244 WeakPolarHBondContact O-CG1 2.88Å; F240-I244 PolarHBondContact O-N 3.49Å; L241-I244 PolarHBondContact O-N 3.01Å; V242-I244 VanDerWaalsContact C-N 3.29Å; V242-I244 PolarHBondContact O-N 2.93Å; I244-D246 PolarHBondContact O-N 3.21Å; I244-H247 PolarHBondContact O-N 3.29Å; I244-W248 WeakPolarHBondContact O-CB 3.2Å; I244-W248 PolarHBondContact O-N 3.33Å; I244-V258 HydrophobicContact CG2-CG2 4.43Å; I244-I261 HydrophobicContact CG2-CD1 4.48Å
245F98.5Very high97.9Very high79 Ų7967.9 Ų67.935%0.34635%0.352SS..Hα-helixtrans-57.7-47.8178.1176.2-93.4000112.2L241 V242 H247 W248 I249 I261L241-F245 WeakPolarHBondContact O-CB 3.39Å; L241-F245 PolarHBondContact O-N 3.31Å; V242-F245 PolarHBondContact O-N 3.37Å; V242-F245 VanDerWaalsContact O-N 3.16Å; F245-H247 PolarHBondContact O-N 2.88Å; F245-W248 HydrophobicContact CD2-CE3 4.06Å; F245-W248 HydrophobicContact CD2-CZ3 4.15Å; F245-W248 HydrophobicContact CE2-CE3 4.28Å; F245-W248 AromaticContact CE2-CZ3 3.95Å; F245-W248 HydrophobicContact CE2-CZ3 3.95Å; F245-W248 PolarHBondContact O-N 3.3Å; F245-I249 HydrophobicContact CE1-CD1 3.99Å; F245-I249 HydrophobicContact CE2-CD1 4.42Å; F245-I249 HydrophobicContact CZ-CD1 3.67Å; F245-I249 WeakPolarHBondContact O-CB 3.17Å; F245-I249 VanDerWaalsContact O-CG2 3.28Å; F245-I249 WeakPolarHBondContact O-CG2 3.48Å; F245-I249 PolarHBondContact O-N 3.46Å; F245-I261 HydrophobicContact CB-CD1 4.04Å; F245-I261 HydrophobicContact CD2-CD1 3.94Å; F245-I261 HydrophobicContact CD2-CG1 4.18Å; F245-I261 HydrophobicContact CD2-CG2 3.65Å; F245-I261 HydrophobicContact CE2-CG2 3.92Å; F245-I261 HydrophobicContact CG-CD1 4.49Å
246D98.5Very high98Very high78 Ų7862.4 Ų62.442%0.41733%0.327SS..Hα-helixtrans-62.6-27.2-179.3-80.4-16.4000113.5V242 I244 K250V242-D246 PolarHBondContact O-N 3.24Å; I244-D246 PolarHBondContact O-N 3.21Å; D246-K250 VanDerWaalsContact O-CD 3.28Å; D246-K250 WeakPolarHBondContact O-CD 3.27Å; D246-K250 WeakPolarHBondContact O-CE 3.47Å; D246-K250 PolarHBondContact O-NZ 3.12Å; D246-K250 VanDerWaalsContact O-NZ 3.11Å
247H98Very high98Very high48 Ų4863.4 Ų63.422%0.22233%0.331CS..Hα-helixtrans-85.6-49.3175.5-172.479.2000111.5L182 Y185 N186 A243 I244 F245 I249 K250 R251L182-H247 HydrophobicContact CD2-CB 3.56Å; Y185-H247 AromaticContact CD1-CD2 3.66Å; Y185-H247 AromaticContact CE1-CD2 3.55Å; N186-H247 PolarHBondContact OD1-NE2 2.85Å; A243-H247 PolarHBondContact O-N 2.77Å; I244-H247 PolarHBondContact O-N 3.29Å; F245-H247 PolarHBondContact O-N 2.88Å; H247-I249 PolarHBondContact O-N 3.28Å; H247-K250 PolarHBondContact O-N 2.91Å; H247-R251 PolarHBondContact NE2-NH1 3.02Å; H247-R251 PolarHBondContact NE2-NH2 2.89Å
248W98.5Very high98Very high30 Ų3061.8 Ų61.811%0.11432%0.324CS..Hα-helixtrans-56.9-47.2178.716885000112.3I244 F245 K250 R251 D252 V253 I256 I261I244-W248 WeakPolarHBondContact O-CB 3.2Å; I244-W248 PolarHBondContact O-N 3.33Å; F245-W248 HydrophobicContact CD2-CE3 4.06Å; F245-W248 HydrophobicContact CD2-CZ3 4.15Å; F245-W248 HydrophobicContact CE2-CE3 4.28Å; F245-W248 AromaticContact CE2-CZ3 3.95Å; F245-W248 HydrophobicContact CE2-CZ3 3.95Å; F245-W248 PolarHBondContact O-N 3.3Å; W248-K250 PolarHBondContact O-N 3.03Å; W248-R251 PolarHBondContact O-N 2.95Å; W248-R251 VanDerWaalsContact O-N 3.1Å; W248-D252 HydrophobicContact CG-CB 4.42Å; W248-D252 PolarHBondContact O-N 3.3Å; W248-V253 HydrophobicContact CD2-CG2 4.37Å; W248-V253 HydrophobicContact CE3-CG2 4.29Å; W248-V253 HydrophobicContact CH2-CG1 4.42Å; W248-V253 HydrophobicContact CH2-CG2 3.96Å; W248-V253 HydrophobicContact CZ2-CB 4.37Å; W248-V253 HydrophobicContact CZ2-CG1 4.4Å; W248-V253 HydrophobicContact CZ2-CG2 4.04Å; W248-V253 HydrophobicContact CZ3-CG2 4.08Å; W248-I256 PolarHBondContact NE1-O 3.46Å; W248-I261 HydrophobicContact CB-CD1 4.4Å; W248-I261 HydrophobicContact CD2-CD1 3.98Å; W248-I261 HydrophobicContact CE3-CD1 3.89Å; W248-I261 HydrophobicContact CE3-CG2 4.27Å; W248-I261 HydrophobicContact CG-CD1 4.21Å; W248-I261 HydrophobicContact CH2-CG2 4.12Å; W248-I261 HydrophobicContact CZ3-CG2 3.83Å
249I97.9Very high97.9Very high84 Ų8462 Ų6243%0.43132%0.316SS..Hα-helixtrans-60.9-26.1-174.4-163.8174.6000112.8F245 H247 V253F245-I249 HydrophobicContact CE1-CD1 3.99Å; F245-I249 HydrophobicContact CE2-CD1 4.42Å; F245-I249 HydrophobicContact CZ-CD1 3.67Å; F245-I249 WeakPolarHBondContact O-CB 3.17Å; F245-I249 VanDerWaalsContact O-CG2 3.28Å; F245-I249 WeakPolarHBondContact O-CG2 3.48Å; F245-I249 PolarHBondContact O-N 3.46Å; H247-I249 PolarHBondContact O-N 3.28Å; I249-V253 HydrophobicContact CG1-CG2 4.27Å; I249-V253 WeakPolarHBondContact O-CG2 3.31Å
250K97.9Very high97.8Very high172 Ų17256.9 Ų56.975%0.74829%0.293SS*.Hα-helixtrans-85.5-20.5-177.7-65.1171.9-171.8148.90113.5D246 H247 W248D246-K250 VanDerWaalsContact O-CD 3.28Å; D246-K250 WeakPolarHBondContact O-CD 3.27Å; D246-K250 WeakPolarHBondContact O-CE 3.47Å; D246-K250 PolarHBondContact O-NZ 3.12Å; D246-K250 VanDerWaalsContact O-NZ 3.11Å; H247-K250 PolarHBondContact O-N 2.91Å; W248-K250 PolarHBondContact O-N 3.03Å
251R96.2Very high97.6Very high114 Ų11457.8 Ų57.843%0.4330%0.298SS..Hα-helixtrans-131.5-37.1-164.8-165-177.167.7-173.6-4.2114.3N186 H247 W248N186-R251 PolarHBondContact OD1-NH1 2.74Å; N186-R251 PolarHBondContact OD1-NH2 2.97Å; H247-R251 PolarHBondContact NE2-NH1 3.02Å; H247-R251 PolarHBondContact NE2-NH2 2.89Å; W248-R251 PolarHBondContact O-N 2.95Å; W248-R251 VanDerWaalsContact O-N 3.1Å
252D97.9Very high97.4Very high14 Ų1459.8 Ų59.88%0.07531%0.306CS..THydrogen-bonded Turntrans-123.42.5-155-62.2-28.9000113.8Y185 W248 G254 K255 I256Y185-D252 WeakPolarHBondContact CE1-OD2 3.21Å; Y185-D252 WeakPolarHBondContact OH-CB 3.49Å; Y185-D252 PolarHBondContact OH-OD2 3.24Å; W248-D252 HydrophobicContact CG-CB 4.42Å; W248-D252 PolarHBondContact O-N 3.3Å; D252-G254 PolarHBondContact O-N 3.3Å; D252-K255 PolarHBondContact O-N 2.9Å; D252-I256 HydrophobicContact CB-CB 4Å; D252-I256 HydrophobicContact CB-CG1 3.77Å; D252-I256 PolarHBondContact O-N 3.26Å
253V97.1Very high97.1Very high84 Ų8457.1 Ų57.151%0.50929%0.287SS..THydrogen-bonded Turntrans-56.2125.9176.2-177.60000110.6W248 I249 K255W248-V253 HydrophobicContact CD2-CG2 4.37Å; W248-V253 HydrophobicContact CE3-CG2 4.29Å; W248-V253 HydrophobicContact CH2-CG1 4.42Å; W248-V253 HydrophobicContact CH2-CG2 3.96Å; W248-V253 HydrophobicContact CZ2-CB 4.37Å; W248-V253 HydrophobicContact CZ2-CG1 4.4Å; W248-V253 HydrophobicContact CZ2-CG2 4.04Å; W248-V253 HydrophobicContact CZ3-CG2 4.08Å; I249-V253 HydrophobicContact CG1-CG2 4.27Å; I249-V253 WeakPolarHBondContact O-CG2 3.31Å; V253-K255 VanDerWaalsContact C-N 3.27Å; V253-K255 PolarHBondContact O-N 2.91Å
254G96.1Very high96.8Very high61 Ų6158.3 Ų58.363%0.62930%0.296SS*.THydrogen-bonded Turntrans77.96.8-178.100000114.9D252D252-G254 PolarHBondContact O-N 3.3Å
255K97.5Very high96.5Very high134 Ų13464.5 Ų64.558%0.58332%0.324SS*.THydrogen-bonded Turntrans-122.3-46.7175.7-60.9177.4-176169.90112.2D252 V253D252-K255 PolarHBondContact O-N 2.9Å; V253-K255 VanDerWaalsContact C-N 3.27Å; V253-K255 PolarHBondContact O-N 2.91Å
256I98.4Very high96.1Very high17 Ų1761.7 Ų61.79%0.08732%0.315CS..SBendtrans-110.8129.4177.5-49.9-61.4000107.8Y185 E194 I196 W248 D252 V258Y185-I256 HydrophobicContact CE2-CG2 4.13Å; E194-I256 HydrophobicContact CG-CD1 4.39Å; E194-I256 CarbonylContact O-C 3.17Å; E194-I256 WeakPolarHBondContact O-CA 3.37Å; E194-I256 WeakPolarHBondContact O-CG2 3.44Å; I196-I256 HydrophobicContact CD1-CG2 3.84Å; W248-I256 PolarHBondContact NE1-O 3.46Å; D252-I256 HydrophobicContact CB-CB 4Å; D252-I256 HydrophobicContact CB-CG1 3.77Å; D252-I256 PolarHBondContact O-N 3.26Å; I256-V258 HydrophobicContact CG2-CG2 4.33Å
257F97.9Very high95.6Very high62 Ų6262 Ų6227%0.27232%0.317SS..EExtended strand (participates in β ladder)trans-108.995.7-175.4-58.8-89.5000108.7E194 F195 I196 M259 E262E194-F257 PolarHBondContact O-N 3.02Å; F195-F257 WeakPolarHBondContact CA-O 3.45Å; F195-F257 HydrophobicContact CD1-CB 3.52Å; F195-F257 AromaticContact CD1-CD2 3.94Å; F195-F257 HydrophobicContact CD1-CD2 3.94Å; F195-F257 AromaticContact CD1-CG 3.88Å; F195-F257 HydrophobicContact CD1-CG 3.88Å; F195-F257 HydrophobicContact CE1-CB 3.74Å; F195-F257 HydrophobicContact CE1-CD1 4.27Å; F195-F257 AromaticContact CE1-CD2 3.46Å; F195-F257 HydrophobicContact CE1-CD2 3.46Å; F195-F257 VanDerWaalsContact CE1-CD2 3.46Å; F195-F257 HydrophobicContact CE1-CE2 4.12Å; F195-F257 AromaticContact CE1-CG 3.55Å; F195-F257 HydrophobicContact CE1-CG 3.55Å; F195-F257 HydrophobicContact CE2-CD2 4.25Å; F195-F257 HydrophobicContact CG-CB 4.32Å; F195-F257 AromaticContact CZ-CD2 3.63Å; F195-F257 HydrophobicContact CZ-CD2 3.63Å; F195-F257 AromaticContact CZ-CE2 3.94Å; F195-F257 HydrophobicContact CZ-CE2 3.94Å; F195-F257 HydrophobicContact CZ-CG 4.2Å; I196-F257 PolarHBondContact N-O 3.32Å; F257-M259 PolarHBondContact O-N 3.2Å; F257-E262 WeakPolarHBondContact CD1-OE1 3.22Å
258V98Very high95.2Very high1 Ų168.1 Ų68.11%0.00634%0.343CS..EExtended strand (participates in β ladder)trans-89.9103.1175.2-177.60000108.4Y185 I196 F198 I244 I256 N260 I261 E262Y185-V258 HydrophobicContact CD2-CG2 4.49Å; Y185-V258 HydrophobicContact CE2-CG2 3.83Å; I196-V258 WeakPolarHBondContact O-CA 3.4Å; F198-V258 HydrophobicContact CD2-CG1 3.86Å; F198-V258 HydrophobicContact CE2-CG1 3.72Å; I244-V258 HydrophobicContact CG2-CG2 4.43Å; I256-V258 HydrophobicContact CG2-CG2 4.33Å; V258-N260 HydrophobicContact CG1-CB 4.47Å; V258-N260 PolarHBondContact O-N 3.14Å; V258-N260 VanDerWaalsContact O-N 3.13Å; V258-I261 HydrophobicContact CB-CB 4.39Å; V258-I261 HydrophobicContact CB-CD1 3.82Å; V258-I261 HydrophobicContact CB-CG1 4.08Å; V258-I261 HydrophobicContact CG1-CD1 3.97Å; V258-I261 HydrophobicContact CG1-CG1 3.93Å; V258-I261 HydrophobicContact CG2-CD1 4.27Å; V258-I261 WeakPolarHBondContact O-CB 3.49Å; V258-I261 PolarHBondContact O-N 2.8Å; V258-E262 PolarHBondContact O-N 2.7Å
259M96.1Very high94.9Very high39 Ų3970.6 Ų70.619%0.19236%0.361CS..Hα-helixtrans-55.9-38.1-170.6-61.6-178.883.900112.4I196 Q197 F257 I261 E262 W263I196-M259 PolarHBondContact O-N 3.1Å; Q197-M259 HydrophobicContact CB-SD 3.79Å; Q197-M259 HydrophobicContact CG-SD 4.27Å; F257-M259 PolarHBondContact O-N 3.2Å; M259-I261 VanDerWaalsContact C-N 3.29Å; M259-I261 PolarHBondContact O-N 3.22Å; M259-E262 PolarHBondContact O-N 2.66Å; M259-W263 HydrophobicContact CB-CD2 4.24Å; M259-W263 HydrophobicContact CB-CH2 4.05Å; M259-W263 HydrophobicContact CB-CZ2 3.7Å; M259-W263 HydrophobicContact CB-CZ3 4.45Å; M259-W263 HydrophobicContact CE-CH2 4.38Å; M259-W263 HydrophobicContact CE-CZ2 3.48Å; M259-W263 VanDerWaalsContact CE-CZ2 3.48Å; M259-W263 HydrophobicContact CG-CZ2 4.43Å; M259-W263 WeakPolarHBondContact O-CB 3.29Å; M259-W263 VanDerWaalsContact O-CD2 3.24Å; M259-W263 PolarHBondContact O-N 2.88Å; M259-W263 HydrophobicContact SD-CZ2 4.11Å
260N96.2Very high94.3Very high22 Ų2269.6 Ų69.612%0.11837%0.372CS..Hα-helixtrans-58.2-40.1177.6-57.378.8000112.7F198 L241 V258 A264F198-N260 PolarHBondContact N-OD1 2.78Å; F198-N260 PolarHBondContact O-ND2 3.02Å; F198-N260 PolarHBondContact O-OD1 2.98Å; L241-N260 HydrophobicContact CD2-CB 3.87Å; V258-N260 HydrophobicContact CG1-CB 4.47Å; V258-N260 PolarHBondContact O-N 3.14Å; V258-N260 VanDerWaalsContact O-N 3.13Å; N260-A264 WeakPolarHBondContact O-CB 3.28Å; N260-A264 PolarHBondContact O-N 3.49Å; N260-A264 VanDerWaalsContact O-N 3.08Å
261I95.6Very high93.6Very high20 Ų2063.4 Ų63.410%0.10335%0.352CS..Hα-helixtrans-69.1-45178.3-62.6175.4000109.4I244 F245 W248 V258 M259 W263 A264 F265I244-I261 HydrophobicContact CG2-CD1 4.48Å; F245-I261 HydrophobicContact CB-CD1 4.04Å; F245-I261 HydrophobicContact CD2-CD1 3.94Å; F245-I261 HydrophobicContact CD2-CG1 4.18Å; F245-I261 HydrophobicContact CD2-CG2 3.65Å; F245-I261 HydrophobicContact CE2-CG2 3.92Å; F245-I261 HydrophobicContact CG-CD1 4.49Å; W248-I261 HydrophobicContact CB-CD1 4.4Å; W248-I261 HydrophobicContact CD2-CD1 3.98Å; W248-I261 HydrophobicContact CE3-CD1 3.89Å; W248-I261 HydrophobicContact CE3-CG2 4.27Å; W248-I261 HydrophobicContact CG-CD1 4.21Å; W248-I261 HydrophobicContact CH2-CG2 4.12Å; W248-I261 HydrophobicContact CZ3-CG2 3.83Å; V258-I261 HydrophobicContact CB-CB 4.39Å; V258-I261 HydrophobicContact CB-CD1 3.82Å; V258-I261 HydrophobicContact CB-CG1 4.08Å; V258-I261 HydrophobicContact CG1-CD1 3.97Å; V258-I261 HydrophobicContact CG1-CG1 3.93Å; V258-I261 HydrophobicContact CG2-CD1 4.27Å; V258-I261 WeakPolarHBondContact O-CB 3.49Å; V258-I261 PolarHBondContact O-N 2.8Å; M259-I261 VanDerWaalsContact C-N 3.29Å; M259-I261 PolarHBondContact O-N 3.22Å; I261-W263 PolarHBondContact O-N 3.45Å; I261-A264 PolarHBondContact O-N 2.65Å; I261-F265 WeakPolarHBondContact O-CB 3.34Å; I261-F265 PolarHBondContact O-N 3.47Å
262E93.4Very high92.4Very high82 Ų8263.5 Ų63.538%0.38337%0.368SS..Hα-helixtrans-63.8-41.6179.8-60.5-168.7146.500112.3F257 V258 M259 F265 A266F257-E262 WeakPolarHBondContact CD1-OE1 3.22Å; V258-E262 PolarHBondContact O-N 2.7Å; M259-E262 PolarHBondContact O-N 2.66Å; E262-F265 PolarHBondContact O-N 2.9Å; E262-A266 WeakPolarHBondContact O-CB 3.31Å; E262-A266 PolarHBondContact O-N 3.45Å
263W93.2Very high90.7Very high28 Ų2863.3 Ų63.311%0.10637%0.369CS..Hα-helixtrans-66-39.5176.4-60.9-18.6000112.2Q197 M259 I261 N267 V275 H278Q197-W263 HydrophobicContact CG-CH2 3.85Å; Q197-W263 HydrophobicContact CG-CZ3 4.32Å; M259-W263 HydrophobicContact CB-CD2 4.24Å; M259-W263 HydrophobicContact CB-CH2 4.05Å; M259-W263 HydrophobicContact CB-CZ2 3.7Å; M259-W263 HydrophobicContact CB-CZ3 4.45Å; M259-W263 HydrophobicContact CE-CH2 4.38Å; M259-W263 HydrophobicContact CE-CZ2 3.48Å; M259-W263 VanDerWaalsContact CE-CZ2 3.48Å; M259-W263 HydrophobicContact CG-CZ2 4.43Å; M259-W263 WeakPolarHBondContact O-CB 3.29Å; M259-W263 VanDerWaalsContact O-CD2 3.24Å; M259-W263 PolarHBondContact O-N 2.88Å; M259-W263 HydrophobicContact SD-CZ2 4.11Å; I261-W263 PolarHBondContact O-N 3.45Å; W263-N267 WeakPolarHBondContact O-CB 3.28Å; W263-N267 PolarHBondContact O-N 2.81Å; W263-V275 HydrophobicContact CB-CG1 4.19Å; W263-V275 HydrophobicContact CD2-CB 3.89Å; W263-V275 HydrophobicContact CD2-CG1 3.96Å; W263-V275 HydrophobicContact CD2-CG2 4.48Å; W263-V275 HydrophobicContact CE3-CB 4.03Å; W263-V275 HydrophobicContact CE3-CG1 3.96Å; W263-V275 HydrophobicContact CE3-CG2 4.19Å; W263-V275 HydrophobicContact CG-CB 4.31Å; W263-V275 HydrophobicContact CG-CG1 4.11Å; W263-V275 HydrophobicContact CH2-CG2 4.16Å; W263-V275 HydrophobicContact CZ2-CB 4.38Å; W263-V275 HydrophobicContact CZ2-CG2 4.43Å; W263-V275 HydrophobicContact CZ3-CB 4.35Å; W263-V275 HydrophobicContact CZ3-CG2 4.05Å; W263-H278 PolarHBondContact O-ND1 3.35Å
264A92.2Very high89.4Confident54 Ų5463 Ų6345%0.44638%0.375SS..Hα-helixtrans-63.9-43.9174.500000110.9N260 I261 N267 F268N260-A264 WeakPolarHBondContact O-CB 3.28Å; N260-A264 PolarHBondContact O-N 3.49Å; N260-A264 VanDerWaalsContact O-N 3.08Å; I261-A264 PolarHBondContact O-N 2.65Å; A264-N267 PolarHBondContact O-N 3.43Å; A264-F268 WeakPolarHBondContact O-CB 3.33Å; A264-F268 PolarHBondContact O-N 2.92Å
265F91.6Very high88.9Confident132 Ų13261 Ų6158%0.57935%0.351SS*.Hα-helixtrans-64.2-46.4176.6179.5-109.1000112.3I261 E262 N267 F268 V269I261-F265 WeakPolarHBondContact O-CB 3.34Å; I261-F265 PolarHBondContact O-N 3.47Å; E262-F265 PolarHBondContact O-N 2.9Å; F265-N267 VanDerWaalsContact C-N 3.31Å; F265-N267 PolarHBondContact O-N 3.39Å; F265-F268 WeakPolarHBondContact O-CB 3.5Å; F265-F268 PolarHBondContact O-N 2.93Å; F265-F268 VanDerWaalsContact O-N 3.12Å; F265-V269 HydrophobicContact CD2-CG1 4.21Å; F265-V269 HydrophobicContact CE1-CG1 4.23Å; F265-V269 HydrophobicContact CE2-CG1 3.69Å; F265-V269 HydrophobicContact CZ-CG1 3.7Å; F265-V269 WeakPolarHBondContact O-CG2 3.1Å; F265-V269 PolarHBondContact O-N 3.28Å
266A90.4Very high88.4Confident20 Ų2058.9 Ų58.917%0.16535%0.352CS..Hα-helixtrans-56.3-46.4176.600000111.3E262 V269 G270 A271E262-A266 WeakPolarHBondContact O-CB 3.31Å; E262-A266 PolarHBondContact O-N 3.45Å; A266-V269 WeakPolarHBondContact O-CG2 3.38Å; A266-V269 PolarHBondContact O-N 3.47Å; A266-G270 PolarHBondContact O-N 2.93Å; A266-A271 HydrophobicContact CB-CB 4.2Å; A266-A271 WeakPolarHBondContact O-CB 3.36Å; A266-A271 PolarHBondContact O-N 3.4Å
267N87.9Confident87.7Confident84 Ų8464 Ų6445%0.44938%0.375SS..Hα-helixtrans-63.9-41.7176.2-16944.9000111.9W263 A264 F265 V269 G270W263-N267 WeakPolarHBondContact O-CB 3.28Å; W263-N267 PolarHBondContact O-N 2.81Å; A264-N267 PolarHBondContact O-N 3.43Å; F265-N267 VanDerWaalsContact C-N 3.31Å; F265-N267 PolarHBondContact O-N 3.39Å; N267-V269 VanDerWaalsContact C-N 3.33Å; N267-V269 PolarHBondContact O-N 2.83Å; N267-G270 PolarHBondContact O-N 3.41Å; N267-G270 VanDerWaalsContact O-N 3.14Å
268F89.7Confident87.2Confident177 Ų17763.7 Ų63.778%0.77637%0.374SS*.Hα-helixtrans-60.2-39.3177.9176-100.1000113A264 F265 G270A264-F268 WeakPolarHBondContact O-CB 3.33Å; A264-F268 PolarHBondContact O-N 2.92Å; F265-F268 WeakPolarHBondContact O-CB 3.5Å; F265-F268 PolarHBondContact O-N 2.93Å; F265-F268 VanDerWaalsContact O-N 3.12Å; F268-G270 VanDerWaalsContact C-N 3.28Å; F268-G270 PolarHBondContact O-N 2.94Å
269V91.8Very high86.5Confident82 Ų8266.3 Ų66.350%0.49739%0.387SS..THydrogen-bonded Turntrans-86.45.3178.5-55.60000113.8F265 A266 N267 A271F265-V269 HydrophobicContact CD2-CG1 4.21Å; F265-V269 HydrophobicContact CE1-CG1 4.23Å; F265-V269 HydrophobicContact CE2-CG1 3.69Å; F265-V269 HydrophobicContact CZ-CG1 3.7Å; F265-V269 WeakPolarHBondContact O-CG2 3.1Å; F265-V269 PolarHBondContact O-N 3.28Å; A266-V269 WeakPolarHBondContact O-CG2 3.38Å; A266-V269 PolarHBondContact O-N 3.47Å; N267-V269 VanDerWaalsContact C-N 3.33Å; N267-V269 PolarHBondContact O-N 2.83Å; V269-A271 VanDerWaalsContact C-N 3.27Å; V269-A271 HydrophobicContact CG2-CB 4.13Å; V269-A271 PolarHBondContact O-N 3Å
270G85.8Confident85.9Confident63 Ų6370.2 Ų70.265%0.64942%0.415SS*.THydrogen-bonded Turntrans72.316.3-18000000114.5A266 N267 F268A266-G270 PolarHBondContact O-N 2.93Å; N267-G270 PolarHBondContact O-N 3.41Å; N267-G270 VanDerWaalsContact O-N 3.14Å; F268-G270 VanDerWaalsContact C-N 3.28Å; F268-G270 PolarHBondContact O-N 2.94Å
271A83.4Confident85.4Confident41 Ų4172.8 Ų72.834%0.33943%0.431SS..PPolyproline II helixtrans-67.9140.2167.800000108.7A266 V269 G273A266-A271 HydrophobicContact CB-CB 4.2Å; A266-A271 WeakPolarHBondContact O-CB 3.36Å; A266-A271 PolarHBondContact O-N 3.4Å; V269-A271 VanDerWaalsContact C-N 3.27Å; V269-A271 HydrophobicContact CG2-CB 4.13Å; V269-A271 PolarHBondContact O-N 3Å; A271-G273 PolarHBondContact O-N 3.03Å; A271-G273 VanDerWaalsContact O-N 3.09Å
272P71Confident85Confident117 Ų11777.9 Ų77.976%0.7647%0.467SS*.PPolyproline II helixtrans-54.1122.5179.214.7-23.6000109.8A274P272-A274 PolarHBondContact O-N 3.48Å
273G62.6Low84.6Confident10 Ų1076.1 Ų76.110%0.10347%0.471CS..PPolyproline II helixtrans-54.3124.2-168.300000112.8A271 V275 Q279A271-G273 PolarHBondContact O-N 3.03Å; A271-G273 VanDerWaalsContact O-N 3.09Å; G273-V275 PolarHBondContact O-N 2.77Å; G273-Q279 PolarHBondContact O-NE2 2.91Å
274A69.6Low84.3Confident76 Ų7679 Ų7963%0.62848%0.482SS*.SBendtrans-67.5-19-17600000113.7P272P272-A274 PolarHBondContact O-N 3.48Å
275V84Confident84.2Confident20 Ų2078.4 Ų78.412%0.12147%0.474CS..SBendtrans-116.9149.4-175.666.20000111.8W263 G273 H277 H278W263-V275 HydrophobicContact CB-CG1 4.19Å; W263-V275 HydrophobicContact CD2-CB 3.89Å; W263-V275 HydrophobicContact CD2-CG1 3.96Å; W263-V275 HydrophobicContact CD2-CG2 4.48Å; W263-V275 HydrophobicContact CE3-CB 4.03Å; W263-V275 HydrophobicContact CE3-CG1 3.96Å; W263-V275 HydrophobicContact CE3-CG2 4.19Å; W263-V275 HydrophobicContact CG-CB 4.31Å; W263-V275 HydrophobicContact CG-CG1 4.11Å; W263-V275 HydrophobicContact CH2-CG2 4.16Å; W263-V275 HydrophobicContact CZ2-CB 4.38Å; W263-V275 HydrophobicContact CZ2-CG2 4.43Å; W263-V275 HydrophobicContact CZ3-CB 4.35Å; W263-V275 HydrophobicContact CZ3-CG2 4.05Å; G273-V275 PolarHBondContact O-N 2.77Å; V275-H277 VanDerWaalsContact C-N 3.32Å; V275-H277 WeakPolarHBondContact CG1-NE2 3.3Å; V275-H277 PolarHBondContact O-N 3.43Å; V275-H278 HydrophobicContact CG1-CB 4.1Å; V275-H278 PolarHBondContact O-N 2.9Å; V275-H278 VanDerWaalsContact O-N 3.09Å
276C87Confident84.3Confident90 Ų9073.4 Ų73.461%0.60846%0.455SS*.G310 helixtrans-54.9-41-17361.30000113.8H278 Q279C276-H278 PolarHBondContact O-N 3.07Å; C276-Q279 VanDerWaalsContact O-CB 3.32Å; C276-Q279 WeakPolarHBondContact O-CB 3.14Å; C276-Q279 PolarHBondContact O-N 3.47Å; C276-Q279 VanDerWaalsContact O-N 3.08Å
277H85.4Confident84.6Confident124 Ų12472.6 Ų72.657%0.57445%0.447SS*.G310 helixtrans-76.7-6.8-176.866.674.8000114.1V275V275-H277 VanDerWaalsContact C-N 3.32Å; V275-H277 WeakPolarHBondContact CG1-NE2 3.3Å; V275-H277 PolarHBondContact O-N 3.43Å
278H85.8Confident85Confident55 Ų5569.2 Ų69.226%0.25543%0.43SS..G310 helixtrans-94.3-5.3168.6-68.2170.5000112.3W263 V275 C276W263-H278 PolarHBondContact O-ND1 3.35Å; V275-H278 HydrophobicContact CG1-CB 4.1Å; V275-H278 PolarHBondContact O-N 2.9Å; V275-H278 VanDerWaalsContact O-N 3.09Å; C276-H278 PolarHBondContact O-N 3.07Å
279Q83.8Confident85.3Confident57 Ų5761 Ų6127%0.26639%0.394SS..SBendtrans-80146.7177.9-67.5-68.9-44.600110.9G273 C276 T281G273-Q279 PolarHBondContact O-NE2 2.91Å; C276-Q279 VanDerWaalsContact O-CB 3.32Å; C276-Q279 WeakPolarHBondContact O-CB 3.14Å; C276-Q279 PolarHBondContact O-N 3.47Å; C276-Q279 VanDerWaalsContact O-N 3.08Å; Q279-T281 PolarHBondContact O-N 2.88Å; Q279-T281 VanDerWaalsContact O-N 3.17Å
280P83.5Confident85.5Confident120 Ų12057.4 Ų57.478%0.77937%0.372SS*.SBendtrans-67.9-14.5177.628.3-35.9000113.3
281T86.1Confident85.8Confident76 Ų7655.8 Ų55.847%0.46635%0.348SS..SBendtrans-146.3135.5-175.557.50000111Q279Q279-T281 PolarHBondContact O-N 2.88Å; Q279-T281 VanDerWaalsContact O-N 3.17Å
282C88Confident86.3Confident128 Ų12855.4 Ų55.487%0.86535%0.348SS*.  trans-75.8177.8173.9-58.10000113
283G84.6Confident87.4Confident45 Ų4552.8 Ų52.846%0.46433%0.327SS..  trans97.918.9166.500000116.4
284R86.5Confident88.9Confident89 Ų8957 Ų5734%0.33635%0.351SS..SBendtrans-107.4-5.3176.8-62.8-163-164.416715.8115.2R8 F10 H11R8-R284 VanDerWaalsContact NH1-NH2 3.13Å; F10-R284 WeakPolarHBondContact CA-O 3.41Å; H11-R284 PolarHBondContact N-O 3.25Å
285S89.9Confident90Very high40 Ų4058.2 Ų58.228%0.2834%0.34SS..EExtended strand (participates in β ladder)trans-116.292.1173.2-169.90000106.7H11 A296H11-S285 PolarHBondContact ND1-OG 3.32Å; H11-S285 WeakPolarHBondContact O-CA 3.29Å; S285-A296 VanDerWaalsContact O-O 3.13Å
286V94.2Very high90.4Very high28 Ų2860.7 Ų60.717%0.1736%0.363CS..EExtended strand (participates in β ladder)trans-89.2142.9-173.8-179.70000108.3F10 H11 V12 M13 V294 Y295F10-V286 HydrophobicContact CD2-CG2 4.36Å; H11-V286 PolarHBondContact O-N 3.29Å; V12-V286 CarbonylContact C-O 3.35Å; V12-V286 VanDerWaalsContact CA-O 3.3Å; V12-V286 WeakPolarHBondContact CA-O 3.36Å; V12-V286 HydrophobicContact CG2-CB 4.41Å; M13-V286 PolarHBondContact N-O 2.99Å; V286-V294 HydrophobicContact CG1-CG1 3.21Å; V286-Y295 WeakPolarHBondContact CA-O 3.41Å; V286-Y295 VanDerWaalsContact CG1-O 3.31Å; V286-Y295 WeakPolarHBondContact CG1-O 3.3Å
287I96Very high90.6Very high2 Ų260.7 Ų60.71%0.0136%0.363CS..EExtended strand (participates in β ladder)trans-104.9136.4178.5-49.1-55.1000109.5M13 K15 V294 Y295 C297 D298M13-I287 HydrophobicContact CB-CD1 3.76Å; M13-I287 HydrophobicContact CG-CD1 4.21Å; M13-I287 CarbonylContact O-C 3.59Å; M13-I287 VanDerWaalsContact O-CA 3.3Å; M13-I287 WeakPolarHBondContact O-CA 3.24Å; M13-I287 HydrophobicContact SD-CD1 3.82Å; K15-I287 HydrophobicContact CD-CG2 3.98Å; K15-I287 HydrophobicContact CG-CG2 3.98Å; I287-V294 CarbonylContact O-C 3.56Å; I287-V294 VanDerWaalsContact O-CA 3.28Å; I287-V294 WeakPolarHBondContact O-CA 3.48Å; I287-Y295 PolarHBondContact N-O 2.79Å; I287-Y295 PolarHBondContact O-N 3.47Å; I287-C297 WeakPolarHBondContact CG1-O 3.21Å; I287-D298 HydrophobicContact CD1-CB 3.87Å; I287-D298 HydrophobicContact CG1-CB 4.25Å; I287-D298 VanDerWaalsContact CG1-N 3.27Å
288V96.8Very high90.7Very high13 Ų1359.2 Ų59.28%0.07936%0.359CS..EExtended strand (participates in β ladder)trans-113.4116.6168.11750000107.9V12 M13 A14 K15 M45 Y53 D293 V294V12-V288 HydrophobicContact CG1-CB 4.21Å; V12-V288 HydrophobicContact CG1-CG2 3.43Å; V12-V288 VanDerWaalsContact CG1-CG2 3.43Å; M13-V288 PolarHBondContact O-N 3.25Å; A14-V288 CarbonylContact C-O 3.46Å; A14-V288 WeakPolarHBondContact CA-O 3.28Å; K15-V288 PolarHBondContact N-O 3.44Å; M45-V288 HydrophobicContact CE-CG1 4.09Å; Y53-V288 HydrophobicContact CD2-CB 4.31Å; Y53-V288 HydrophobicContact CD2-CG1 4.22Å; Y53-V288 HydrophobicContact CD2-CG2 3.98Å; Y53-V288 HydrophobicContact CE2-CB 4.43Å; Y53-V288 HydrophobicContact CE2-CG2 4.07Å; Y53-V288 HydrophobicContact CG-CG1 4.42Å; V288-D293 WeakPolarHBondContact CA-O 3.34Å; V288-V294 HydrophobicContact CG2-CG2 4.35Å
289E95.7Very high91Very high6 Ų659.5 Ų59.53%0.02836%0.364CS..EExtended strand (participates in β ladder)trans-77.6164.5176-90.2-76.4-17500112.3Y30 Y37 N291 G292 D293 Y295Y30-E289 WeakPolarHBondContact CE2-OE1 3.34Å; Y30-E289 VanDerWaalsContact OH-CD 3.24Å; Y30-E289 PolarHBondContact OH-OE1 2.86Å; Y30-E289 PolarHBondContact OH-OE2 2.71Å; Y37-E289 WeakPolarHBondContact OH-CG 3.33Å; E289-N291 PolarHBondContact O-N 3.04Å; E289-G292 PolarHBondContact O-N 2.82Å; E289-D293 HydrophobicContact CB-CB 4.47Å; E289-D293 PolarHBondContact N-O 2.99Å; E289-Y295 HydrophobicContact CB-CE2 4.07Å; E289-Y295 HydrophobicContact CG-CD2 4.11Å; E289-Y295 HydrophobicContact CG-CE2 3.68Å
290H95.1Very high91.4Very high6 Ų659.6 Ų59.63%0.02837%0.37CS..THydrogen-bonded Turntrans-51.6-28.9-179.260-74000113.8K15 G18 Y37 V42 M45K15-H290 WeakPolarHBondContact O-CB 3.19Å; K15-H290 PolarHBondContact O-N 3.11Å; G18-H290 WeakPolarHBondContact CA-ND1 3.41Å; Y37-H290 AromaticContact CD2-CE1 3.85Å; Y37-H290 AromaticContact CG-CE1 3.82Å; V42-H290 PolarHBondContact O-CD2 3.07Å; V42-H290 PolarHBondContact O-NE2 3.45Å; M45-H290 WeakPolarHBondContact CA-O 3.21Å
291N93.1Very high91.8Very high29 Ų2956.2 Ų56.216%0.15535%0.347CS..THydrogen-bonded Turntrans-93.84.6179.972.9-7000114.3Y37 K40 E289 D293Y37-N291 VanDerWaalsContact CE1-ND2 3.31Å; Y37-N291 WeakPolarHBondContact CE1-ND2 3.23Å; K40-N291 HydrophobicContact CD-CB 4.2Å; K40-N291 PolarHBondContact NZ-ND2 3.17Å; E289-N291 PolarHBondContact O-N 3.04Å; N291-D293 PolarHBondContact ND2-OD2 3.33Å; N291-D293 VanDerWaalsContact OD1-CB 3.22Å; N291-D293 WeakPolarHBondContact OD1-CB 3.24Å; N291-D293 PolarHBondContact OD1-N 2.83Å; N291-D293 PolarHBondContact OD1-OD2 3.03Å
292G94.1Very high92.1Very high32 Ų3255.1 Ų55.133%0.3334%0.34SS..SBendtrans86.9-1.7-177.800000115.6E289E289-G292 PolarHBondContact O-N 2.82Å
293D93.8Very high92.4Very high62 Ų6250.5 Ų50.533%0.33231%0.307SS..  trans-63.4144.8173.8-69.2-23.2000110.4K40 V288 E289 N291 Y295K40-D293 IonicContact NZ-OD2 3.38Å; V288-D293 WeakPolarHBondContact CA-O 3.34Å; E289-D293 HydrophobicContact CB-CB 4.47Å; E289-D293 PolarHBondContact N-O 2.99Å; N291-D293 PolarHBondContact ND2-OD2 3.33Å; N291-D293 VanDerWaalsContact OD1-CB 3.22Å; N291-D293 WeakPolarHBondContact OD1-CB 3.24Å; N291-D293 PolarHBondContact OD1-N 2.83Å; N291-D293 PolarHBondContact OD1-OD2 3.03Å; D293-Y295 HydrophobicContact CB-CE2 3.72Å
294V94.8Very high92.9Very high98 Ų9850.9 Ų50.959%0.59430%0.297SS*.EExtended strand (participates in β ladder)trans-118.3128.4-172.3-174.10000110.8V286 I287 V288V286-V294 HydrophobicContact CG1-CG1 3.21Å; I287-V294 CarbonylContact O-C 3.56Å; I287-V294 VanDerWaalsContact O-CA 3.28Å; I287-V294 WeakPolarHBondContact O-CA 3.48Å; V288-V294 HydrophobicContact CG2-CG2 4.35Å
295Y93.1Very high93.4Very high102 Ų10248.1 Ų48.140%0.429%0.294SS..EExtended strand (participates in β ladder)trans-123.4152.6180-54.9-93.1000111.7Y37 V286 I287 E289 D293 C297Y37-Y295 WeakPolarHBondContact OH-CE2 3.39Å; Y37-Y295 PolarHBondContact OH-OH 3.35Å; V286-Y295 WeakPolarHBondContact CA-O 3.41Å; V286-Y295 VanDerWaalsContact CG1-O 3.31Å; V286-Y295 WeakPolarHBondContact CG1-O 3.3Å; I287-Y295 PolarHBondContact N-O 2.79Å; I287-Y295 PolarHBondContact O-N 3.47Å; E289-Y295 HydrophobicContact CB-CE2 4.07Å; E289-Y295 HydrophobicContact CG-CD2 4.11Å; E289-Y295 HydrophobicContact CG-CE2 3.68Å; D293-Y295 HydrophobicContact CB-CE2 3.72Å; Y295-C297 VanDerWaalsContact C-N 3.34Å; Y295-C297 PolarHBondContact O-N 2.5Å
296A91.3Very high93.6Very high73 Ų7348.8 Ų48.860%0.60330%0.295SS*.SBendtrans-78.6-14.1-173.600000114.9S285S285-A296 VanDerWaalsContact O-O 3.13Å
297C90.8Very high93.6Very high90 Ų9050.5 Ų50.561%0.60831%0.305SS*.  trans-160.9156.5-178.9-174.90000109.4I287 Y295I287-C297 WeakPolarHBondContact CG1-O 3.21Å; Y295-C297 VanDerWaalsContact C-N 3.34Å; Y295-C297 PolarHBondContact O-N 2.5Å
298D88.4Confident93.4Very high93 Ų9354.9 Ų54.950%0.49733%0.332SS..  trans-61.50166.9-168.331000112K15 I287K15-D298 WeakPolarHBondContact CE-OD1 3.25Å; K15-D298 IonicContact NZ-OD1 3.94Å; K15-D298 PolarHBondContact NZ-OD1 2.93Å; I287-D298 HydrophobicContact CD1-CB 3.87Å; I287-D298 HydrophobicContact CG1-CB 4.25Å; I287-D298 VanDerWaalsContact CG1-N 3.27Å

Retrieved 298 of 298 residues in 443.7 ms (Link to these results)

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