X6RC47_HUMAN Loading...

PC-esterase domain containing 1A

AlphaFold DB , UniProt , Accession X6RC47, Species HUMAN (Homo sapiens, Human), Gene PCED1A, Length 229 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M32.3Very low34Very low214 Ų214158 Ų158100%1.05483%0.833SS**  098.90-161.7-176.4-75.700106.2F3M1-F3 HydrophobicContact CG-CD2 4.4Å; M1-F3 HydrophobicContact CG-CE2 3.76Å; M1-F3 HydrophobicContact CG-CZ 4.46Å; M1-F3 HydrophobicContact SD-CE2 4.02Å
2V24.3Very low34.4Very low145 Ų145163.7 Ų163.788%0.87983%0.834SS**  trans-127.7112.8179.1178.30000105.4
3F26.2Very low34.5Very low177 Ų177160.8 Ų160.878%0.77683%0.833SS**  trans-90.5121.4172.7-71.2-86.1000107.8M1M1-F3 HydrophobicContact CG-CD2 4.4Å; M1-F3 HydrophobicContact CG-CE2 3.76Å; M1-F3 HydrophobicContact CG-CZ 4.46Å; M1-F3 HydrophobicContact SD-CE2 4.02Å
4C27.1Very low35.2Very low118 Ų118158.5 Ų158.580%0.79782%0.822SS**  trans-89.3111.6163.7-168.60000106.8S6C4-S6 PolarHBondContact O-N 3.31Å
5L37.7Very low36.1Very low170 Ų170163.5 Ų163.589%0.8983%0.826SS**  trans-82.991.7167.6-71168.3000107.1S7L5-S7 PolarHBondContact O-N 3.19Å
6S35Very low37.2Very low99 Ų99156.4 Ų156.469%0.69280%0.796SS**  trans-78.4111.1158.549.40000107.3C4 E8C4-S6 PolarHBondContact O-N 3.31Å; S6-E8 PolarHBondContact O-N 3.46Å
7S38.5Very low39.1Very low117 Ų117153.2 Ų153.282%0.81878%0.781SS**  trans-66.895.4169.8570000109L5L5-S7 PolarHBondContact O-N 3.19Å
8E38.7Very low41.5Very low179 Ų179146.6 Ų146.684%0.83675%0.747SS**  trans-87.4110.5153.5-67.7-156.4153.800107.1S6S6-E8 PolarHBondContact O-N 3.46Å
9E34.2Very low43.9Very low174 Ų174140.1 Ų140.181%0.81372%0.715SS**PPolyproline II helixtrans-51.3126.6161.8-80.5-91.114800107.7R11E9-R11 PolarHBondContact O-N 3.02Å
10P35.3Very low46Very low110 Ų110138.3 Ų138.371%0.71470%0.704SS**PPolyproline II helixtrans-61.1118.5174.323.9-29.5000107.7R12P10-R12 PolarHBondContact O-N 3.06Å; P10-R12 VanDerWaalsContact O-N 3.09Å
11R44.9Very low47.9Very low235 Ų235132.5 Ų132.589%0.88767%0.673SS**PPolyproline II helixtrans-46.9123.7170.7-69.6-173.9-169.7-179.14.5107.5E9E9-R11 PolarHBondContact O-N 3.02Å
12R38.4Very low50.5Low226 Ų226127.4 Ų127.485%0.85365%0.647SS**PPolyproline II helixtrans-50.6140-177.2-73.1179.1-179.6173.91.1109.5P10 L14P10-R12 PolarHBondContact O-N 3.06Å; P10-R12 VanDerWaalsContact O-N 3.09Å; R12-L14 PolarHBondContact O-N 3.09Å
13P35.7Very low53.1Low127 Ų127122.7 Ų122.783%0.82562%0.623SS**PPolyproline II helixtrans-61.1116.8172.725.6-31.8000108.4R15P13-R15 VanDerWaalsContact C-N 3.26Å; P13-R15 PolarHBondContact O-N 2.8Å
14L45.2Very low55.9Low128 Ų128116.8 Ų116.867%0.6760%0.604SS**  trans-64.484.5176.9-73.2162.9000109.7R12 D216R12-L14 PolarHBondContact O-N 3.09Å; L14-D216 WeakPolarHBondContact CD2-OD2 3.37Å
15R48.3Very low58.9Low234 Ų234112.9 Ų112.988%0.88357%0.574SS**  trans-109.371.3150.1-88.8-170.9174.9-175.2-0.6107P13 D17P13-R15 VanDerWaalsContact C-N 3.26Å; P13-R15 PolarHBondContact O-N 2.8Å; R15-D17 PolarHBondContact O-N 3.05Å
16S53.3Low61.3Low50 Ų50104.8 Ų104.835%0.3553%0.532SS..  trans-75.8109.2155-171.90000106.2M18 T212 L222S16-M18 PolarHBondContact O-N 3.35Å; S16-T212 WeakPolarHBondContact OG-CG2 3.45Å; S16-L222 WeakPolarHBondContact OG-CD1 3.39Å
17D70.2Confident63.7Low102 Ų102104.3 Ų104.355%0.54552%0.519SS..PPolyproline II helixtrans-51.7129165.1-78.1-24.7000108.3R15 V19 Y227R15-D17 PolarHBondContact O-N 3.05Å; D17-V19 PolarHBondContact O-N 3.35Å; D17-Y227 HydrophobicContact CB-CE2 4.03Å; D17-Y227 WeakPolarHBondContact CB-OH 3.26Å
18M81.9Confident66.1Low33 Ų33105.9 Ų105.916%0.16351%0.513CS..PPolyproline II helixtrans-57.5132.2-178179.8-160.363.600110.2S16 H205 H208 L209S16-M18 PolarHBondContact O-N 3.35Å; M18-H205 WeakPolarHBondContact CE-CE1 3.39Å; M18-H205 WeakPolarHBondContact CE-ND1 3.42Å; M18-H205 PolarHBondContact SD-CE1 3.09Å; M18-H205 PolarHBondContact SD-ND1 3.21Å; M18-H208 HydrophobicContact CG-CB 4.09Å; M18-H208 HydrophobicContact SD-CB 3.83Å; M18-L209 HydrophobicContact CB-CD2 3.76Å; M18-L209 HydrophobicContact CG-CD2 3.7Å; M18-L209 HydrophobicContact CG-CG 4.02Å; M18-L209 HydrophobicContact SD-CD2 3.93Å; M18-L209 HydrophobicContact SD-CG 3.78Å
19V86.1Confident68.7Low23 Ų2398.1 Ų98.114%0.13948%0.477CS..PPolyproline II helixtrans-103.9139.7178.9-177.50000111.1D17 F21 T212 L222 P223D17-V19 PolarHBondContact O-N 3.35Å; V19-F21 HydrophobicContact CB-CE2 4.23Å; V19-F21 VanDerWaalsContact O-CD2 3.32Å; V19-F21 WeakPolarHBondContact O-CD2 3.46Å; V19-T212 PolarHBondContact N-OG1 3.39Å; V19-L222 HydrophobicContact CG2-CB 4.18Å; V19-L222 HydrophobicContact CG2-CD1 4.01Å; V19-P223 HydrophobicContact CG1-CB 4.06Å; V19-P223 HydrophobicContact CG1-CG 4.15Å
20H87.2Confident71.4Confident105 Ų10590.8 Ų90.849%0.48644%0.443SS..PPolyproline II helixtrans-83.7119.5170.6-72.8-70.4000110.6H208 R225H20-H208 AromaticContact CE1-CD2 3.99Å; H20-H208 AromaticContact ND1-CD2 3.28Å; H20-H208 PolarHBondContact ND1-CD2 3.19Å; H20-H208 VanDerWaalsContact ND1-CD2 3.28Å; H20-H208 AromaticContact ND1-CG 3.98Å; H20-H208 AromaticContact ND1-NE2 3.49Å; H20-H208 PolarHBondContact ND1-NE2 3.36Å; H20-R225 PolarHBondContact O-NH1 2.9Å
21F85.1Confident73.9Confident16 Ų1691.5 Ų91.57%0.0744%0.437CS..PPolyproline II helixtrans-92.4139.1178.7-71.5-102.5000112.2V19 E25 V26 L29 H208 L211 A215 L222V19-F21 HydrophobicContact CB-CE2 4.23Å; V19-F21 VanDerWaalsContact O-CD2 3.32Å; V19-F21 WeakPolarHBondContact O-CD2 3.46Å; F21-E25 WeakPolarHBondContact CA-OE2 3.32Å; F21-E25 HydrophobicContact CD1-CB 3.92Å; F21-V26 HydrophobicContact CB-CG2 3.6Å; F21-V26 HydrophobicContact CD1-CG2 4.44Å; F21-V26 HydrophobicContact CG-CG2 4.3Å; F21-L29 HydrophobicContact CE1-CD2 4.21Å; F21-H208 AromaticContact CD2-ND1 3.97Å; F21-H208 PolarHBondContact N-CE1 3.4Å; F21-H208 PolarHBondContact N-ND1 2.71Å; F21-H208 PolarHBondContact O-CE1 3.27Å; F21-L211 HydrophobicContact CB-CD1 4.38Å; F21-L211 HydrophobicContact CD2-CB 3.83Å; F21-L211 HydrophobicContact CD2-CD1 4.41Å; F21-L211 HydrophobicContact CE1-CB 4.49Å; F21-L211 HydrophobicContact CE2-CB 3.72Å; F21-L211 HydrophobicContact CG-CB 4.29Å; F21-L211 HydrophobicContact CG-CD1 4.34Å; F21-L211 HydrophobicContact CZ-CB 4.06Å; F21-A215 HydrophobicContact CZ-CB 4.19Å; F21-L222 HydrophobicContact CE2-CD2 4.46Å; F21-L222 HydrophobicContact CZ-CD2 3.71Å
22Q86.6Confident75.9Confident107 Ų10787 Ų8750%0.543%0.43SS..PPolyproline II helixtrans-85158.2163-69.1-178.214.300110.3S24 E25 V26Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 2.75Å; Q22-E25 HydrophobicContact CB-CG 4.38Å; Q22-E25 PolarHBondContact N-OE2 2.95Å; Q22-E25 WeakPolarHBondContact O-CB 3.05Å; Q22-E25 PolarHBondContact O-N 3.23Å; Q22-V26 WeakPolarHBondContact O-CG2 3.5Å; Q22-V26 PolarHBondContact O-N 2.68Å; Q22-V26 VanDerWaalsContact O-N 3.08Å
23A80.6Confident78.3Confident46 Ų4680 Ų8038%0.3841%0.407SS..Hα-helixtrans-52.5-43.7-179.700000113.1E25 V26 Q27 L53A23-E25 VanDerWaalsContact C-N 3.28Å; A23-E25 PolarHBondContact O-N 3.43Å; A23-V26 PolarHBondContact O-N 3.07Å; A23-Q27 WeakPolarHBondContact O-CB 3.45Å; A23-Q27 VanDerWaalsContact O-CG 3.27Å; A23-Q27 WeakPolarHBondContact O-CG 3.26Å; A23-Q27 PolarHBondContact O-N 3.34Å; A23-L53 VanDerWaalsContact CB-O 3.25Å; A23-L53 WeakPolarHBondContact CB-O 3.32Å
24S84.5Confident80.6Confident54 Ų5478 Ų7838%0.37839%0.385SS..Hα-helixtrans-61.9-34.3178.250.30000113.2Q22 Q28Q22-S24 VanDerWaalsContact C-N 3.28Å; Q22-S24 PolarHBondContact O-N 2.75Å; S24-Q28 WeakPolarHBondContact O-CB 3.28Å; S24-Q28 VanDerWaalsContact O-CG 3.25Å; S24-Q28 WeakPolarHBondContact O-CG 3.38Å; S24-Q28 PolarHBondContact O-N 2.77Å
25E89.8Confident82.6Confident35 Ų3574 Ų7416%0.16437%0.365CS..Hα-helixtrans-74.2-39.6178.6-61.1167.6153.300110.5F21 Q22 A23 Q28 L29 P223 R225F21-E25 WeakPolarHBondContact CA-OE2 3.32Å; F21-E25 HydrophobicContact CD1-CB 3.92Å; Q22-E25 HydrophobicContact CB-CG 4.38Å; Q22-E25 PolarHBondContact N-OE2 2.95Å; Q22-E25 WeakPolarHBondContact O-CB 3.05Å; Q22-E25 PolarHBondContact O-N 3.23Å; A23-E25 VanDerWaalsContact C-N 3.28Å; A23-E25 PolarHBondContact O-N 3.43Å; E25-Q28 PolarHBondContact O-N 2.73Å; E25-L29 VanDerWaalsContact O-CB 3.3Å; E25-L29 WeakPolarHBondContact O-CB 3.3Å; E25-L29 PolarHBondContact O-N 2.91Å; E25-P223 HydrophobicContact CG-CG 4.3Å; E25-P223 WeakPolarHBondContact OE1-CB 3.47Å; E25-P223 VanDerWaalsContact OE1-CG 3.26Å; E25-P223 WeakPolarHBondContact OE1-CG 3.28Å; E25-R225 VanDerWaalsContact CD-NH2 3.29Å; E25-R225 IonicContact OE1-CZ 3.38Å; E25-R225 IonicContact OE1-NH1 3.43Å; E25-R225 PolarHBondContact OE1-NH1 2.81Å; E25-R225 IonicContact OE1-NH2 2.68Å; E25-R225 PolarHBondContact OE1-NH2 3.08Å; E25-R225 IonicContact OE2-CZ 3.46Å; E25-R225 IonicContact OE2-NH1 2.77Å; E25-R225 PolarHBondContact OE2-NH1 3.05Å; E25-R225 IonicContact OE2-NH2 3.23Å; E25-R225 PolarHBondContact OE2-NH2 3.42Å
26V88.6Confident84.3Confident0 Ų063.7 Ų63.70%033%0.328CS..Hα-helixtrans-64.5-42.8173.2-172.20000110.7F21 Q22 A23 Q28 L29 L30 L54 L211F21-V26 HydrophobicContact CB-CG2 3.6Å; F21-V26 HydrophobicContact CD1-CG2 4.44Å; F21-V26 HydrophobicContact CG-CG2 4.3Å; Q22-V26 WeakPolarHBondContact O-CG2 3.5Å; Q22-V26 PolarHBondContact O-N 2.68Å; Q22-V26 VanDerWaalsContact O-N 3.08Å; A23-V26 PolarHBondContact O-N 3.07Å; V26-Q28 PolarHBondContact O-N 2.98Å; V26-L29 PolarHBondContact O-N 3.36Å; V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 HydrophobicContact CG1-CG 4.48Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 PolarHBondContact O-N 3.3Å; V26-L54 HydrophobicContact CB-CD2 4.31Å; V26-L54 HydrophobicContact CG1-CD2 3.7Å; V26-L54 HydrophobicContact CG1-CG 4.01Å; V26-L211 HydrophobicContact CB-CD1 4.49Å; V26-L211 HydrophobicContact CG1-CD1 4.01Å; V26-L211 HydrophobicContact CG1-CD2 3.94Å; V26-L211 HydrophobicContact CG2-CD1 3.64Å
27Q84.8Confident85.8Confident89 Ų8963.1 Ų63.142%0.41632%0.321SS..Hα-helixtrans-61.2-42.9176.1-76.3173.3-14.200111.9A23 H31 L54A23-Q27 WeakPolarHBondContact O-CB 3.45Å; A23-Q27 VanDerWaalsContact O-CG 3.27Å; A23-Q27 WeakPolarHBondContact O-CG 3.26Å; A23-Q27 PolarHBondContact O-N 3.34Å; Q27-H31 WeakPolarHBondContact O-CA 3.43Å; Q27-H31 VanDerWaalsContact O-CB 3.29Å; Q27-H31 WeakPolarHBondContact O-CB 3.25Å; Q27-H31 PolarHBondContact O-N 3.28Å; Q27-L54 HydrophobicContact CG-CD2 4.01Å; Q27-L54 PolarHBondContact NE2-O 2.69Å
28Q89.1Confident86.5Confident151 Ų15159.5 Ų59.571%0.70630%0.301SS*.Hα-helixtrans-65.6-46.4176-77.5173.6-6.200111.8S24 E25 V26 L30 H31S24-Q28 WeakPolarHBondContact O-CB 3.28Å; S24-Q28 VanDerWaalsContact O-CG 3.25Å; S24-Q28 WeakPolarHBondContact O-CG 3.38Å; S24-Q28 PolarHBondContact O-N 2.77Å; E25-Q28 PolarHBondContact O-N 2.73Å; V26-Q28 PolarHBondContact O-N 2.98Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.41Å; Q28-H31 PolarHBondContact O-N 3.45Å
29L92.6Very high86.6Confident15 Ų1560.2 Ų60.28%0.07932%0.317CS..Hα-helixtrans-59.9-41.8-179.8-178.962.7000111.8F21 E25 V26 L211 V214 A215 W218 V220F21-L29 HydrophobicContact CE1-CD2 4.21Å; E25-L29 VanDerWaalsContact O-CB 3.3Å; E25-L29 WeakPolarHBondContact O-CB 3.3Å; E25-L29 PolarHBondContact O-N 2.91Å; V26-L29 PolarHBondContact O-N 3.36Å; L29-L211 HydrophobicContact CD2-CB 4.4Å; L29-L211 HydrophobicContact CD2-CD2 3.93Å; L29-V214 HydrophobicContact CD2-CG1 4.42Å; L29-A215 HydrophobicContact CD1-CB 3.95Å; L29-A215 HydrophobicContact CD2-CB 4.03Å; L29-W218 HydrophobicContact CD1-CE3 3.75Å; L29-W218 HydrophobicContact CD1-CZ3 4.11Å; L29-W218 HydrophobicContact CG-CE3 4.35Å; L29-W218 HydrophobicContact CG-CZ3 4.21Å; L29-W218 WeakPolarHBondContact O-CZ3 3.33Å; L29-V220 HydrophobicContact CD1-CB 4.11Å; L29-V220 HydrophobicContact CD1-CG1 4.18Å; L29-V220 HydrophobicContact CD1-CG2 3.91Å
30L91Very high86.5Confident20 Ų2059.8 Ų59.811%0.10531%0.314CS..THydrogen-bonded Turntrans-99.39.8-175.7-57.3-179.9000113.4V26 Q28 N32 K33 V35 L54 L211 W218V26-L30 HydrophobicContact CG1-CD1 3.9Å; V26-L30 HydrophobicContact CG1-CG 4.48Å; V26-L30 WeakPolarHBondContact O-CB 3.34Å; V26-L30 PolarHBondContact O-N 3.3Å; Q28-L30 VanDerWaalsContact C-N 3.31Å; Q28-L30 PolarHBondContact O-N 3.41Å; L30-N32 PolarHBondContact O-N 3.01Å; L30-K33 WeakPolarHBondContact O-CB 3.45Å; L30-K33 PolarHBondContact O-N 3.27Å; L30-K33 VanDerWaalsContact O-N 3.12Å; L30-V35 HydrophobicContact CD2-CG2 4.29Å; L30-L54 HydrophobicContact CB-CD2 4.46Å; L30-L54 HydrophobicContact CD1-CD1 3.97Å; L30-L54 HydrophobicContact CD1-CD2 4.29Å; L30-L211 HydrophobicContact CD1-CD2 4.16Å; L30-W218 HydrophobicContact CD2-CH2 4.1Å; L30-W218 HydrophobicContact CD2-CZ3 3.97Å
31H89.1Confident86.1Confident125 Ų12555.7 Ų55.758%0.57930%0.297SS*.THydrogen-bonded Turntrans-62.6127.6-178.3-175.9-92.6000111.1Q27 Q28 K33Q27-H31 WeakPolarHBondContact O-CA 3.43Å; Q27-H31 VanDerWaalsContact O-CB 3.29Å; Q27-H31 WeakPolarHBondContact O-CB 3.25Å; Q27-H31 PolarHBondContact O-N 3.28Å; Q28-H31 PolarHBondContact O-N 3.45Å; H31-K33 PolarHBondContact O-N 2.96Å
32N86.1Confident85.8Confident140 Ų14055.4 Ų55.475%0.74930%0.297SS*.THydrogen-bonded Turntrans5528.5-175.4-66.8-17.1000114.1L30L30-N32 PolarHBondContact O-N 3.01Å
33K87.8Confident85.5Confident81 Ų8150.4 Ų50.435%0.35227%0.273SS..  trans-99.7130.5175.2-61.2-58.2-173.9179.90111.3L30 H31 V35 D84 W218L30-K33 WeakPolarHBondContact O-CB 3.45Å; L30-K33 PolarHBondContact O-N 3.27Å; L30-K33 VanDerWaalsContact O-N 3.12Å; H31-K33 PolarHBondContact O-N 2.96Å; K33-V35 HydrophobicContact CB-CG2 4.19Å; K33-D84 WeakPolarHBondContact CA-OD2 3.28Å; K33-D84 HydrophobicContact CB-CB 4.26Å; K33-D84 HydrophobicContact CD-CB 3.7Å; K33-D84 VanDerWaalsContact CD-CG 3.45Å; K33-D84 WeakPolarHBondContact CD-OD1 3.21Å; K33-D84 IonicContact NZ-OD1 2.92Å; K33-D84 PolarHBondContact NZ-OD1 3.42Å; K33-W218 HydrophobicContact CB-CH2 4.41Å; K33-W218 HydrophobicContact CD-CH2 4.14Å; K33-W218 HydrophobicContact CG-CH2 3.89Å; K33-W218 HydrophobicContact CG-CZ3 4.18Å
34F85.4Confident85.3Confident85 Ų8553.1 Ų53.137%0.37327%0.274SS..  trans-87.7108.1167.8-179.3-140.7000109.6V36 P81 P83 D84 L85F34-V36 HydrophobicContact CE1-CG2 3.97Å; F34-V36 HydrophobicContact CE2-CG2 4.05Å; F34-V36 HydrophobicContact CZ-CG2 3.62Å; F34-P81 HydrophobicContact CD1-CB 4.31Å; F34-P81 HydrophobicContact CD1-CG 4.22Å; F34-P81 HydrophobicContact CE1-CB 4.41Å; F34-P81 HydrophobicContact CE1-CG 3.91Å; F34-P81 WeakPolarHBondContact CE1-O 3.27Å; F34-P81 HydrophobicContact CZ-CG 4.42Å; F34-P83 VanDerWaalsContact CD1-CA 3.48Å; F34-P83 HydrophobicContact CD1-CB 3.96Å; F34-P83 HydrophobicContact CE1-CB 4.2Å; F34-P83 WeakPolarHBondContact O-CA 3.43Å; F34-D84 PolarHBondContact N-OD2 2.98Å; F34-D84 PolarHBondContact O-N 2.85Å; F34-L85 PolarHBondContact O-N 2.78Å
35V86.6Confident84.6Confident42 Ų4251.6 Ų51.626%0.25526%0.264SS..EExtended strand (participates in β ladder)trans-107.9129.7-176.7-174.30000110.3L30 K33 I37 L85 I87L30-V35 HydrophobicContact CD2-CG2 4.29Å; K33-V35 HydrophobicContact CB-CG2 4.19Å; V35-I37 HydrophobicContact CG1-CG1 4.13Å; V35-L85 CarbonylContact C-O 3.55Å; V35-L85 WeakPolarHBondContact CA-O 3.39Å; V35-L85 HydrophobicContact CG1-CB 4.2Å; V35-L85 HydrophobicContact CG1-CD2 3.88Å; V35-L85 HydrophobicContact CG1-CG 3.99Å; V35-L85 HydrophobicContact CG2-CB 4.22Å; V35-L85 HydrophobicContact CG2-CD2 4.25Å; V35-I87 HydrophobicContact CG1-CD1 4.02Å
36V84.6Confident83.8Confident18 Ų1850 Ų5011%0.10926%0.257CS..EExtended strand (participates in β ladder)trans-114127.6175176.20000109F34 L38 L77 P83 L85 V86 I87F34-V36 HydrophobicContact CE1-CG2 3.97Å; F34-V36 HydrophobicContact CE2-CG2 4.05Å; F34-V36 HydrophobicContact CZ-CG2 3.62Å; V36-L38 HydrophobicContact CG1-CD1 4.29Å; V36-L38 HydrophobicContact CG1-CD2 3.85Å; V36-L38 HydrophobicContact CG1-CG 3.92Å; V36-L77 HydrophobicContact CG2-CD2 4.32Å; V36-P83 HydrophobicContact CG2-CB 3.94Å; V36-L85 PolarHBondContact N-O 2.99Å; V36-V86 HydrophobicContact CB-CG2 4.3Å; V36-V86 CarbonylContact O-C 3.55Å; V36-V86 WeakPolarHBondContact O-CA 3.44Å; V36-I87 PolarHBondContact O-N 2.96Å
37I84.8Confident83.3Confident38 Ų3853.2 Ų53.220%0.19527%0.27CS..EExtended strand (participates in β ladder)trans-119.8120.8178.8-56.4-179.8000109V35 Q43 Y47 L50 I87V35-I37 HydrophobicContact CG1-CG1 4.13Å; I37-Q43 HydrophobicContact CG2-CB 4.03Å; I37-Y47 HydrophobicContact CD1-CD2 4.3Å; I37-L50 HydrophobicContact CD1-CD1 3.93Å; I37-I87 CarbonylContact C-O 3.58Å; I37-I87 WeakPolarHBondContact CA-O 3.39Å; I37-I87 HydrophobicContact CD1-CD1 4.18Å; I37-I87 HydrophobicContact CG1-CB 4.31Å; I37-I87 HydrophobicContact CG1-CD1 3.91Å
38L83.4Confident82.5Confident26 Ų2654.2 Ų54.214%0.13627%0.272CS..EExtended strand (participates in β ladder)trans-121.7134.7-177.2-54177.8000110.4V36 L70 V73 I87 I88 N89V36-L38 HydrophobicContact CG1-CD1 4.29Å; V36-L38 HydrophobicContact CG1-CD2 3.85Å; V36-L38 HydrophobicContact CG1-CG 3.92Å; L38-L70 HydrophobicContact CD1-CD1 3.72Å; L38-V73 HydrophobicContact CD1-CG1 3.88Å; L38-V73 HydrophobicContact CD2-CB 4.46Å; L38-V73 HydrophobicContact CD2-CG1 3.77Å; L38-V73 HydrophobicContact CD2-CG2 4.15Å; L38-V73 HydrophobicContact CG-CG1 4.47Å; L38-I87 PolarHBondContact N-O 3.19Å; L38-I88 HydrophobicContact CB-CB 4.28Å; L38-I88 HydrophobicContact CB-CD1 4.26Å; L38-I88 HydrophobicContact CB-CG1 4.05Å; L38-I88 HydrophobicContact CD1-CD1 4.29Å; L38-I88 VanDerWaalsContact O-CA 3.31Å; L38-I88 WeakPolarHBondContact O-CA 3.49Å; L38-N89 PolarHBondContact O-N 2.8Å
39G84.8Confident81.7Confident48 Ų4847.9 Ų47.950%0.49524%0.243SC..SBendtrans150.2-155.9173.100000113.2N89G39-N89 WeakPolarHBondContact CA-O 3.39Å
40D84.4Confident80.7Confident14 Ų1447.6 Ų47.68%0.07524%0.242CC..SBendtrans-86.1-160.3-170.769.512.1000113.9I42 Q43 R44D40-I42 PolarHBondContact O-N 2.82Å; D40-I42 WeakPolarHBondContact OD1-CA 3.25Å; D40-I42 VanDerWaalsContact OD1-CB 3.23Å; D40-I42 WeakPolarHBondContact OD1-CB 3.36Å; D40-I42 PolarHBondContact OD1-N 3.44Å; D40-Q43 PolarHBondContact O-N 3.28Å; D40-Q43 PolarHBondContact OD1-N 2.7Å; D40-R44 WeakPolarHBondContact O-CB 3.42Å; D40-R44 PolarHBondContact O-N 3.37Å
41S78.2Confident79.7Confident19 Ų1947.2 Ų47.213%0.13324%0.24CC..Hα-helixtrans-62.7-27.517750.30000113.6R44 A45 H197S41-R44 VanDerWaalsContact CB-NH2 3.29Å; S41-A45 PolarHBondContact O-N 3.36Å; S41-H197 PolarHBondContact OG-NE2 3.08Å
42I79.9Confident78.3Confident10 Ų1047.4 Ų47.45%0.05125%0.245CC..Hα-helixtrans-71.6-48.5177.7-59.2177.2000109.1D40 R44 A45 V46 M133 L206D40-I42 PolarHBondContact O-N 2.82Å; D40-I42 WeakPolarHBondContact OD1-CA 3.25Å; D40-I42 VanDerWaalsContact OD1-CB 3.23Å; D40-I42 WeakPolarHBondContact OD1-CB 3.36Å; D40-I42 PolarHBondContact OD1-N 3.44Å; I42-R44 VanDerWaalsContact C-N 3.29Å; I42-R44 PolarHBondContact O-N 2.9Å; I42-A45 WeakPolarHBondContact O-CA 3.32Å; I42-A45 WeakPolarHBondContact O-CB 3.33Å; I42-A45 PolarHBondContact O-N 2.92Å; I42-V46 WeakPolarHBondContact O-CG2 3.23Å; I42-V46 PolarHBondContact O-N 3.17Å; I42-M133 HydrophobicContact CD1-CB 4.37Å; I42-M133 HydrophobicContact CD1-SD 4.08Å; I42-M133 HydrophobicContact CG2-SD 3.63Å; I42-L206 HydrophobicContact CG2-CD1 3.9Å
43Q79.6Confident77.1Confident2 Ų241.4 Ų41.41%0.00921%0.213CC..Hα-helixtrans-64.2-35.5176.3-61.3-52.6-40.900112.1I37 D40 A45 V46 Y47 N89 N130I37-Q43 HydrophobicContact CG2-CB 4.03Å; D40-Q43 PolarHBondContact O-N 3.28Å; D40-Q43 PolarHBondContact OD1-N 2.7Å; Q43-A45 VanDerWaalsContact C-N 3.28Å; Q43-A45 PolarHBondContact O-N 3.07Å; Q43-V46 WeakPolarHBondContact O-CB 3.39Å; Q43-V46 PolarHBondContact O-N 3.49Å; Q43-Y47 PolarHBondContact O-N 2.9Å; Q43-N89 HydrophobicContact CG-CB 3.6Å; Q43-N130 PolarHBondContact NE2-ND2 3.27Å; Q43-N130 PolarHBondContact OE1-ND2 3.16Å; Q43-N130 VanDerWaalsContact OE1-ND2 3.08Å
44R76.8Confident75.6Confident104 Ų10440 Ų4039%0.39221%0.209SC..Hα-helixtrans-62.1-34.5170.8-179.4171.961.1-112.17.8112.8D40 S41 I42 K48 L65D40-R44 WeakPolarHBondContact O-CB 3.42Å; D40-R44 PolarHBondContact O-N 3.37Å; S41-R44 VanDerWaalsContact CB-NH2 3.29Å; I42-R44 VanDerWaalsContact C-N 3.29Å; I42-R44 PolarHBondContact O-N 2.9Å; R44-K48 WeakPolarHBondContact O-CG 3.45Å; R44-K48 PolarHBondContact O-N 3.4Å; R44-K48 VanDerWaalsContact O-N 3.09Å; R44-L65 HydrophobicContact CG-CD2 4.03Å
45A68.8Low74Confident22 Ų2239.1 Ų39.118%0.18221%0.206CC..Hα-helixtrans-69.4-38.3174.600000111.4S41 I42 Q43 K48 D49S41-A45 PolarHBondContact O-N 3.36Å; I42-A45 WeakPolarHBondContact O-CA 3.32Å; I42-A45 WeakPolarHBondContact O-CB 3.33Å; I42-A45 PolarHBondContact O-N 2.92Å; Q43-A45 VanDerWaalsContact C-N 3.28Å; Q43-A45 PolarHBondContact O-N 3.07Å; A45-K48 PolarHBondContact O-N 3.49Å; A45-D49 WeakPolarHBondContact O-CB 3.5Å; A45-D49 PolarHBondContact O-N 3.23Å
46V74.2Confident72Confident0 Ų046.4 Ų46.40%023%0.234CC..Hα-helixtrans-60.9-48172.1178.90000110.9I42 Q43 K48 D49 L50 L206 L210I42-V46 WeakPolarHBondContact O-CG2 3.23Å; I42-V46 PolarHBondContact O-N 3.17Å; Q43-V46 WeakPolarHBondContact O-CB 3.39Å; Q43-V46 PolarHBondContact O-N 3.49Å; V46-K48 VanDerWaalsContact C-N 3.3Å; V46-K48 PolarHBondContact O-N 3.35Å; V46-D49 PolarHBondContact O-N 3.23Å; V46-D49 VanDerWaalsContact O-N 3.16Å; V46-L50 HydrophobicContact CG1-CD1 3.98Å; V46-L50 HydrophobicContact CG1-CG 4.22Å; V46-L50 WeakPolarHBondContact O-CB 3.44Å; V46-L50 WeakPolarHBondContact O-CG 3.5Å; V46-L50 PolarHBondContact O-N 3.08Å; V46-L206 HydrophobicContact CB-CD2 4.45Å; V46-L206 HydrophobicContact CG1-CD2 4.16Å; V46-L206 HydrophobicContact CG2-CB 4.44Å; V46-L206 HydrophobicContact CG2-CD1 3.58Å; V46-L206 HydrophobicContact CG2-CD2 3.41Å; V46-L206 VanDerWaalsContact CG2-CD2 3.41Å; V46-L206 HydrophobicContact CG2-CG 3.98Å; V46-L210 HydrophobicContact CG1-CD2 3.91Å
47Y76.8Confident70Confident69 Ų6952.4 Ų52.427%0.27127%0.266SS..Hα-helixtrans-52.6-49.2173.3166.3-99.4000111.4I37 Q43 D49 L50 V51 L60I37-Y47 HydrophobicContact CD1-CD2 4.3Å; Q43-Y47 PolarHBondContact O-N 2.9Å; Y47-D49 PolarHBondContact O-N 3.28Å; Y47-L50 PolarHBondContact O-N 2.99Å; Y47-V51 HydrophobicContact CD1-CG2 4.49Å; Y47-V51 HydrophobicContact CD2-CG2 4.11Å; Y47-V51 HydrophobicContact CE1-CG2 4.08Å; Y47-V51 HydrophobicContact CE2-CG2 3.66Å; Y47-V51 HydrophobicContact CG-CG2 4.5Å; Y47-V51 WeakPolarHBondContact O-CB 3.47Å; Y47-V51 WeakPolarHBondContact O-CG2 3.45Å; Y47-V51 PolarHBondContact O-N 3.23Å; Y47-L60 VanDerWaalsContact OH-CD1 3.28Å; Y47-L60 WeakPolarHBondContact OH-CD1 3.29Å
48K69.3Low67.9Low110 Ų11054.9 Ų54.948%0.47829%0.286SS..Hα-helixtrans-63.9-40.2178.7-72.2178.1179.5-172.60112.6R44 A45 V46 V51 L52R44-K48 WeakPolarHBondContact O-CG 3.45Å; R44-K48 PolarHBondContact O-N 3.4Å; R44-K48 VanDerWaalsContact O-N 3.09Å; A45-K48 PolarHBondContact O-N 3.49Å; V46-K48 VanDerWaalsContact C-N 3.3Å; V46-K48 PolarHBondContact O-N 3.35Å; K48-V51 PolarHBondContact O-N 3.25Å; K48-L52 WeakPolarHBondContact O-CB 3.41Å; K48-L52 VanDerWaalsContact O-CG 3.28Å; K48-L52 WeakPolarHBondContact O-CG 3.37Å; K48-L52 PolarHBondContact O-N 3.4Å
49D71.7Confident66Low18 Ų1860.1 Ų60.110%0.09631%0.314CS..Hα-helixtrans-68.6-41.4177.7-174.164.5000111.7A45 V46 Y47 L52 L53 R204 S207A45-D49 WeakPolarHBondContact O-CB 3.5Å; A45-D49 PolarHBondContact O-N 3.23Å; V46-D49 PolarHBondContact O-N 3.23Å; V46-D49 VanDerWaalsContact O-N 3.16Å; Y47-D49 PolarHBondContact O-N 3.28Å; D49-L52 CarbonylContact O-C 3.58Å; D49-L52 WeakPolarHBondContact O-CB 3.16Å; D49-L52 PolarHBondContact O-N 3.34Å; D49-L53 WeakPolarHBondContact O-CB 3.45Å; D49-L53 VanDerWaalsContact O-CG 3.3Å; D49-L53 WeakPolarHBondContact O-CG 3.48Å; D49-L53 PolarHBondContact O-N 3.49Å; D49-R204 IonicContact OD1-CZ 3.33Å; D49-R204 IonicContact OD1-NE 2.99Å; D49-R204 PolarHBondContact OD1-NE 2.92Å; D49-R204 IonicContact OD1-NH2 2.78Å; D49-R204 PolarHBondContact OD1-NH2 2.98Å; D49-R204 IonicContact OD2-CZ 3.69Å; D49-R204 IonicContact OD2-NE 3.8Å; D49-R204 PolarHBondContact OD2-NE 3.23Å; D49-S207 VanDerWaalsContact OD2-CB 3.27Å; D49-S207 WeakPolarHBondContact OD2-CB 3.36Å; D49-S207 PolarHBondContact OD2-OG 2.59Å
50L71.8Confident64Low9 Ų962.9 Ų62.95%0.04732%0.317CS..Hα-helixtrans-62.2-43.8173-72.1176.9000111.4I37 V46 Y47 L52 L53 L54 L210 L211I37-L50 HydrophobicContact CD1-CD1 3.93Å; V46-L50 HydrophobicContact CG1-CD1 3.98Å; V46-L50 HydrophobicContact CG1-CG 4.22Å; V46-L50 WeakPolarHBondContact O-CB 3.44Å; V46-L50 WeakPolarHBondContact O-CG 3.5Å; V46-L50 PolarHBondContact O-N 3.08Å; Y47-L50 PolarHBondContact O-N 2.99Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 2.96Å; L50-L53 HydrophobicContact CD2-CD1 4.41Å; L50-L53 CarbonylContact O-C 3.57Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 PolarHBondContact O-N 2.72Å; L50-L53 VanDerWaalsContact O-N 3.14Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 WeakPolarHBondContact O-CD1 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 3.15Å; L50-L210 HydrophobicContact CD1-CD2 4.45Å; L50-L211 HydrophobicContact CD2-CD1 3.88Å; L50-L211 HydrophobicContact CD2-CD2 4.07Å; L50-L211 HydrophobicContact CD2-CG 4.07Å
51V69Low61.9Low12 Ų1266.4 Ų66.47%0.07334%0.339CS..Hα-helixtrans-58.8-44.5173.11670000110.8Y47 K48 L53 L54 Q55 L59Y47-V51 HydrophobicContact CD1-CG2 4.49Å; Y47-V51 HydrophobicContact CD2-CG2 4.11Å; Y47-V51 HydrophobicContact CE1-CG2 4.08Å; Y47-V51 HydrophobicContact CE2-CG2 3.66Å; Y47-V51 HydrophobicContact CG-CG2 4.5Å; Y47-V51 WeakPolarHBondContact O-CB 3.47Å; Y47-V51 WeakPolarHBondContact O-CG2 3.45Å; Y47-V51 PolarHBondContact O-N 3.23Å; K48-V51 PolarHBondContact O-N 3.25Å; V51-L53 VanDerWaalsContact C-N 3.33Å; V51-L53 PolarHBondContact O-N 3.03Å; V51-L54 PolarHBondContact O-N 3.25Å; V51-Q55 HydrophobicContact CG1-CG 4.14Å; V51-Q55 VanDerWaalsContact CG1-OE1 3.26Å; V51-Q55 WeakPolarHBondContact O-CB 3.41Å; V51-Q55 VanDerWaalsContact O-CG 3.28Å; V51-Q55 WeakPolarHBondContact O-CG 3.39Å; V51-Q55 PolarHBondContact O-N 3.12Å; V51-L59 HydrophobicContact CG1-CD2 3.71Å
52L61.5Low60.1Low128 Ų12869.6 Ų69.667%0.6737%0.366SS*.Hα-helixtrans-63.8-36.4174.4-74.9170.2000112.8K48 D49 L50 L54K48-L52 WeakPolarHBondContact O-CB 3.41Å; K48-L52 VanDerWaalsContact O-CG 3.28Å; K48-L52 WeakPolarHBondContact O-CG 3.37Å; K48-L52 PolarHBondContact O-N 3.4Å; D49-L52 CarbonylContact O-C 3.58Å; D49-L52 WeakPolarHBondContact O-CB 3.16Å; D49-L52 PolarHBondContact O-N 3.34Å; L50-L52 VanDerWaalsContact C-N 3.33Å; L50-L52 PolarHBondContact O-N 2.96Å; L52-L54 VanDerWaalsContact C-N 3.32Å
53L60.3Low58.2Low15 Ų1573.2 Ų73.28%0.07940%0.398CS..Hα-helixtrans-70.5-27.7174.5-75.7170.3000112.5A23 D49 L50 V51A23-L53 VanDerWaalsContact CB-O 3.25Å; A23-L53 WeakPolarHBondContact CB-O 3.32Å; D49-L53 WeakPolarHBondContact O-CB 3.45Å; D49-L53 VanDerWaalsContact O-CG 3.3Å; D49-L53 WeakPolarHBondContact O-CG 3.48Å; D49-L53 PolarHBondContact O-N 3.49Å; L50-L53 HydrophobicContact CD2-CD1 4.41Å; L50-L53 CarbonylContact O-C 3.57Å; L50-L53 WeakPolarHBondContact O-CB 3.4Å; L50-L53 PolarHBondContact O-N 2.72Å; L50-L53 VanDerWaalsContact O-N 3.14Å; V51-L53 VanDerWaalsContact C-N 3.33Å; V51-L53 PolarHBondContact O-N 3.03Å
54L54.8Low56.5Low52 Ų5278.9 Ų78.927%0.27242%0.424SS..Hα-helixtrans-94.8-28.3-174.5-75.8168.4000114.3V26 Q27 L30 L50 V51 L52V26-L54 HydrophobicContact CB-CD2 4.31Å; V26-L54 HydrophobicContact CG1-CD2 3.7Å; V26-L54 HydrophobicContact CG1-CG 4.01Å; Q27-L54 HydrophobicContact CG-CD2 4.01Å; Q27-L54 PolarHBondContact NE2-O 2.69Å; L30-L54 HydrophobicContact CB-CD2 4.46Å; L30-L54 HydrophobicContact CD1-CD1 3.97Å; L30-L54 HydrophobicContact CD1-CD2 4.29Å; L50-L54 WeakPolarHBondContact O-CB 3.39Å; L50-L54 WeakPolarHBondContact O-CD1 3.29Å; L50-L54 WeakPolarHBondContact O-CG 3.27Å; L50-L54 PolarHBondContact O-N 3.15Å; V51-L54 PolarHBondContact O-N 3.25Å; L52-L54 VanDerWaalsContact C-N 3.32Å
55Q53.2Low54.8Low66 Ų6678.6 Ų78.631%0.30843%0.43SS..  trans-107.1-141.1-167.3-63.6-169.7-15.600113.2V51 S58V51-Q55 HydrophobicContact CG1-CG 4.14Å; V51-Q55 VanDerWaalsContact CG1-OE1 3.26Å; V51-Q55 WeakPolarHBondContact O-CB 3.41Å; V51-Q55 VanDerWaalsContact O-CG 3.28Å; V51-Q55 WeakPolarHBondContact O-CG 3.39Å; V51-Q55 PolarHBondContact O-N 3.12Å; Q55-S58 PolarHBondContact NE2-O 3.19Å; Q55-S58 VanDerWaalsContact OE1-C 3.28Å; Q55-S58 VanDerWaalsContact OE1-N 3.14Å; Q55-S58 PolarHBondContact OE1-O 3.06Å
56K43.8Very low53.1Low195 Ų19586.2 Ų86.285%0.84846%0.459SS*.SBend41.8112.6-90.7-63.8-170.2174.1-1730114.2
57D42.3Very low51.7Low144 Ų14490.9 Ų90.977%0.7750%0.498SS*.SBendcis-151.3108.8-8.2-101.8-34.2000108.1
58S41.3Very low50.2Low90 Ų9093 Ų9363%0.62951%0.508SS*.  trans171.5132134.749.50000113.4Q55Q55-S58 PolarHBondContact NE2-O 3.19Å; Q55-S58 VanDerWaalsContact OE1-C 3.28Å; Q55-S58 VanDerWaalsContact OE1-N 3.14Å; Q55-S58 PolarHBondContact OE1-O 3.06Å
59L43.3Very low49.7Very low136 Ų13696 Ų9671%0.71252%0.518SS*.PPolyproline II helixtrans-91.3150.6-177.6-59170.9000112.4V51V51-L59 HydrophobicContact CG1-CD2 3.71Å
60L42.3Very low49.3Very low106 Ų10697.1 Ų97.156%0.55552%0.523SS*.PPolyproline II helixtrans-71.1148.8158.1-70.6171.7000110.8Y47 Q64Y47-L60 VanDerWaalsContact OH-CD1 3.28Å; Y47-L60 WeakPolarHBondContact OH-CD1 3.29Å; L60-Q64 VanDerWaalsContact CD2-OE1 3.28Å
61T41.1Very low49Very low88 Ų88101.6 Ų101.654%0.5454%0.544SS..PPolyproline II helixtrans-85.2157.1-171.467.30000112.8A63 Q64T61-A63 PolarHBondContact O-N 3.13Å; T61-Q64 PolarHBondContact O-N 3.24Å
62A40.1Very low48.6Very low85 Ų85104.1 Ų104.170%0.70256%0.557SS**G310 helixtrans-58.4-16.7177.800000114.6Q64 L65A62-Q64 VanDerWaalsContact C-N 3.28Å; A62-Q64 PolarHBondContact O-N 3.34Å; A62-L65 WeakPolarHBondContact O-CB 3.34Å; A62-L65 PolarHBondContact O-N 2.89Å
63A40.7Very low48.7Very low87 Ų8798.9 Ų98.972%0.71953%0.531SS*.G310 helixtrans-71.2-2317500000113.1T61 L65T61-A63 PolarHBondContact O-N 3.13Å; A63-L65 VanDerWaalsContact C-N 3.32Å
64Q43.1Very low48.9Very low121 Ų12198.7 Ų98.757%0.56553%0.529SS*.G310 helixtrans-89-1.5175.4-68.3160.6-51.600112.4L60 T61 A62 K66L60-Q64 VanDerWaalsContact CD2-OE1 3.28Å; T61-Q64 PolarHBondContact O-N 3.24Å; A62-Q64 VanDerWaalsContact C-N 3.28Å; A62-Q64 PolarHBondContact O-N 3.34Å; Q64-K66 VanDerWaalsContact C-N 3.32Å; Q64-K66 PolarHBondContact O-N 3.48Å
65L40.5Very low49.7Very low97 Ų97101.9 Ų101.951%0.50854%0.543SS..  trans-95.238175.5-80.1169.4000112.2R44 A62 A63R44-L65 HydrophobicContact CG-CD2 4.03Å; A62-L65 WeakPolarHBondContact O-CB 3.34Å; A62-L65 PolarHBondContact O-N 2.89Å; A63-L65 VanDerWaalsContact C-N 3.32Å
66K34.6Very low50.4Low182 Ų182103.9 Ų103.979%0.79155%0.553SS**SBendtrans-100.8138168.7-136.1178.1-176.3-176.30108.6Q64 K68Q64-K66 VanDerWaalsContact C-N 3.32Å; Q64-K66 PolarHBondContact O-N 3.48Å; K66-K68 PolarHBondContact O-N 2.92Å
67A43.6Very low51.5Low99 Ų9995.4 Ų95.482%0.81852%0.516SS*.  trans-56.4104.3173.100000108.6
68K46.9Very low52.9Low113 Ų11390.9 Ų90.949%0.49149%0.494SS..  trans-80.5138.9154.4-86.9-167168.5-156.50106.8K66 D72 V73 E76K66-K68 PolarHBondContact O-N 2.92Å; K68-D72 HydrophobicContact CB-CB 4.02Å; K68-D72 HydrophobicContact CD-CB 3.92Å; K68-D72 HydrophobicContact CG-CB 4.13Å; K68-V73 HydrophobicContact CB-CG2 4.16Å; K68-E76 IonicContact NZ-OE1 2.59Å; K68-E76 PolarHBondContact NZ-OE1 3.32Å
69Y58.4Low54.3Low174 Ų17495.4 Ų95.468%0.68250%0.499SS*.  trans-64.7150.7170.4-68.7-83.7000107.7E71 D72 V73Y69-E71 WeakPolarHBondContact CB-OE2 3.47Å; Y69-E71 PolarHBondContact O-N 2.94Å; Y69-E71 VanDerWaalsContact O-N 3.11Å; Y69-D72 PolarHBondContact N-OD2 2.99Å; Y69-D72 VanDerWaalsContact N-OD2 3.08Å; Y69-D72 WeakPolarHBondContact O-CB 3.41Å; Y69-D72 PolarHBondContact O-N 3.24Å; Y69-V73 PolarHBondContact O-N 3.47Å
70L63.1Low55.5Low40 Ų4090.7 Ų90.721%0.20948%0.483CS..Hα-helixtrans-55.8-32.3-177.8-179.653.8000110.9L38 D72 V73 L74 I88 V113 M117L38-L70 HydrophobicContact CD1-CD1 3.72Å; L70-D72 PolarHBondContact O-N 3.41Å; L70-V73 WeakPolarHBondContact O-CB 3.3Å; L70-V73 PolarHBondContact O-N 3.49Å; L70-L74 HydrophobicContact CG-CD1 4.22Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 2.93Å; L70-I88 HydrophobicContact CD1-CD1 4.09Å; L70-I88 HydrophobicContact CD2-CD1 4.16Å; L70-V113 HydrophobicContact CD2-CB 4.2Å; L70-V113 HydrophobicContact CD2-CG1 3.49Å; L70-V113 VanDerWaalsContact CD2-CG1 3.49Å; L70-V113 HydrophobicContact CD2-CG2 3.59Å; L70-V113 HydrophobicContact CG-CG1 4.35Å; L70-V113 HydrophobicContact CG-CG2 4.35Å; L70-M117 HydrophobicContact CD1-CE 4.33Å
71E64.2Low57Low104 Ų10490.3 Ų90.349%0.48649%0.486SS..Hα-helixtrans-58.1-43.1173.2-64.983.7174.400113.3Y69 V73 L74 E75Y69-E71 WeakPolarHBondContact CB-OE2 3.47Å; Y69-E71 PolarHBondContact O-N 2.94Å; Y69-E71 VanDerWaalsContact O-N 3.11Å; E71-V73 VanDerWaalsContact C-N 3.25Å; E71-V73 PolarHBondContact O-N 3.25Å; E71-L74 PolarHBondContact O-N 3.17Å; E71-E75 PolarHBondContact O-N 3Å
72D60.7Low59Low64 Ų6489 Ų8934%0.34249%0.485SS..Hα-helixtrans-65.6-33.2178.3-57.7-40.7000111.1K68 Y69 L70 E76K68-D72 HydrophobicContact CB-CB 4.02Å; K68-D72 HydrophobicContact CD-CB 3.92Å; K68-D72 HydrophobicContact CG-CB 4.13Å; Y69-D72 PolarHBondContact N-OD2 2.99Å; Y69-D72 VanDerWaalsContact N-OD2 3.08Å; Y69-D72 WeakPolarHBondContact O-CB 3.41Å; Y69-D72 PolarHBondContact O-N 3.24Å; L70-D72 PolarHBondContact O-N 3.41Å; D72-E76 PolarHBondContact O-N 3.37Å
73V65.4Low61.3Low19 Ų1985.2 Ų85.212%0.11545%0.453CS..Hα-helixtrans-73.3-40.7176.3178.40000110.6L38 K68 Y69 L70 E71 E75 E76 L77L38-V73 HydrophobicContact CD1-CG1 3.88Å; L38-V73 HydrophobicContact CD2-CB 4.46Å; L38-V73 HydrophobicContact CD2-CG1 3.77Å; L38-V73 HydrophobicContact CD2-CG2 4.15Å; L38-V73 HydrophobicContact CG-CG1 4.47Å; K68-V73 HydrophobicContact CB-CG2 4.16Å; Y69-V73 PolarHBondContact O-N 3.47Å; L70-V73 WeakPolarHBondContact O-CB 3.3Å; L70-V73 PolarHBondContact O-N 3.49Å; E71-V73 VanDerWaalsContact C-N 3.25Å; E71-V73 PolarHBondContact O-N 3.25Å; V73-E75 PolarHBondContact O-N 3.13Å; V73-E76 PolarHBondContact O-N 3.12Å; V73-E76 VanDerWaalsContact O-N 3.15Å; V73-L77 HydrophobicContact CG1-CD1 4.19Å; V73-L77 HydrophobicContact CG1-CG 4.35Å; V73-L77 WeakPolarHBondContact O-CG 3.18Å; V73-L77 PolarHBondContact O-N 2.97Å
74L64Low63.7Low10 Ų1083.1 Ų83.15%0.05243%0.43CS..Hα-helixtrans-62.8-33.4177-69.4167.9000111.6L70 E71 L77 T78 R116 M117 V120L70-L74 HydrophobicContact CG-CD1 4.22Å; L70-L74 VanDerWaalsContact O-CG 3.3Å; L70-L74 WeakPolarHBondContact O-CG 3.4Å; L70-L74 PolarHBondContact O-N 2.93Å; E71-L74 PolarHBondContact O-N 3.17Å; L74-L77 HydrophobicContact CD2-CD1 4.36Å; L74-L77 PolarHBondContact O-N 3.27Å; L74-T78 PolarHBondContact O-N 3.24Å; L74-T78 PolarHBondContact O-OG1 3Å; L74-R116 HydrophobicContact CB-CG 4.38Å; L74-R116 HydrophobicContact CD1-CB 4.24Å; L74-R116 HydrophobicContact CD1-CG 3.84Å; L74-R116 HydrophobicContact CD2-CG 4.3Å; L74-R116 HydrophobicContact CG-CG 4.41Å; L74-M117 HydrophobicContact CD2-CE 4.49Å; L74-M117 HydrophobicContact CD2-CG 4.03Å; L74-V120 HydrophobicContact CD2-CG2 3.99Å
75E70.7Confident66.1Low120 Ų12077.5 Ų77.556%0.56140%0.404SS*.Hα-helixtrans-65.6-45.8171.9-168.1173.5-157.400111.6E71 V73 L77 T78 Y79E71-E75 PolarHBondContact O-N 3Å; V73-E75 PolarHBondContact O-N 3.13Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 2.9Å; E75-T78 WeakPolarHBondContact O-CB 3.47Å; E75-T78 PolarHBondContact O-N 2.82Å; E75-Y79 HydrophobicContact CG-CD2 3.99Å; E75-Y79 HydrophobicContact CG-CE2 3.87Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.47Å; E75-Y79 PolarHBondContact O-N 3.01Å
76E67.7Low68.5Low108 Ų10872.9 Ų72.951%0.50538%0.38SS..Hα-helixtrans-61-38.4174.2-73.3-178177.600112.7K68 D72 V73 T78 Y79 G80K68-E76 IonicContact NZ-OE1 2.59Å; K68-E76 PolarHBondContact NZ-OE1 3.32Å; D72-E76 PolarHBondContact O-N 3.37Å; V73-E76 PolarHBondContact O-N 3.12Å; V73-E76 VanDerWaalsContact O-N 3.15Å; E76-T78 PolarHBondContact O-N 3.33Å; E76-Y79 PolarHBondContact O-N 3.26Å; E76-G80 VanDerWaalsContact O-CA 3.23Å; E76-G80 WeakPolarHBondContact O-CA 3.26Å; E76-G80 PolarHBondContact O-N 3.46Å
77L68.5Low71.3Confident16 Ų1664.3 Ų64.38%0.08434%0.342CS..Hα-helixtrans-66.5-27.3174.6-70174.3000112.7V36 V73 L74 E75 P83 V120 L121V36-L77 HydrophobicContact CG2-CD2 4.32Å; V73-L77 HydrophobicContact CG1-CD1 4.19Å; V73-L77 HydrophobicContact CG1-CG 4.35Å; V73-L77 WeakPolarHBondContact O-CG 3.18Å; V73-L77 PolarHBondContact O-N 2.97Å; L74-L77 HydrophobicContact CD2-CD1 4.36Å; L74-L77 PolarHBondContact O-N 3.27Å; E75-L77 VanDerWaalsContact C-N 3.31Å; E75-L77 PolarHBondContact O-N 2.9Å; L77-P83 HydrophobicContact CD2-CG 3.75Å; L77-V120 HydrophobicContact CB-CG2 4.39Å; L77-L121 HydrophobicContact CD1-CD2 4.16Å
78T71.3Confident73.5Confident50 Ų5059.8 Ų59.831%0.30730%0.304SS..Hα-helixtrans-72.7-35.8178.5-55.50000111.8L74 E75 E76 R116 V120L74-T78 PolarHBondContact O-N 3.24Å; L74-T78 PolarHBondContact O-OG1 3Å; E75-T78 WeakPolarHBondContact O-CB 3.47Å; E75-T78 PolarHBondContact O-N 2.82Å; E76-T78 PolarHBondContact O-N 3.33Å; T78-R116 PolarHBondContact OG1-NH2 3.01Å; T78-V120 WeakPolarHBondContact OG1-CG1 3.48Å
79Y70.9Confident75.7Confident185 Ų18554.7 Ų54.773%0.72528%0.282SS*.Hα-helixtrans-116-10.3-171.7-57.7-68.2000114.6E75 E76E75-Y79 HydrophobicContact CG-CD2 3.99Å; E75-Y79 HydrophobicContact CG-CE2 3.87Å; E75-Y79 VanDerWaalsContact O-CD2 3.26Å; E75-Y79 WeakPolarHBondContact O-CD2 3.47Å; E75-Y79 PolarHBondContact O-N 3.01Å; E76-Y79 PolarHBondContact O-N 3.26Å
80G67.8Low77.1Confident37 Ų3747.5 Ų47.538%0.38126%0.258SS..SBendtrans-93.2-175.1-179.200000113.4E76 A82E76-G80 VanDerWaalsContact O-CA 3.23Å; E76-G80 WeakPolarHBondContact O-CA 3.26Å; E76-G80 PolarHBondContact O-N 3.46Å; G80-A82 PolarHBondContact O-N 3.41Å
81P73.9Confident78.5Confident97 Ų9745.7 Ų45.763%0.6325%0.248SC*.PPolyproline II helixtrans-61.2137.7172.526.9-32.8000110.2F34F34-P81 HydrophobicContact CD1-CB 4.31Å; F34-P81 HydrophobicContact CD1-CG 4.22Å; F34-P81 HydrophobicContact CE1-CB 4.41Å; F34-P81 HydrophobicContact CE1-CG 3.91Å; F34-P81 WeakPolarHBondContact CE1-O 3.27Å; F34-P81 HydrophobicContact CZ-CG 4.42Å
82A83.6Confident79.7Confident62 Ų6241 Ų4151%0.51223%0.226SC..PPolyproline II helixtrans-71.9132.1179.700000111G80 P122G80-A82 PolarHBondContact O-N 3.41Å; A82-P122 HydrophobicContact CB-CG 3.97Å
83P87.4Confident81Confident5 Ų541.1 Ų41.13%0.03222%0.222CC..PPolyproline II helixtrans-73.5147.3177.830.5-35.2000112.2F34 V36 L77 V86 L121 C125F34-P83 VanDerWaalsContact CD1-CA 3.48Å; F34-P83 HydrophobicContact CD1-CB 3.96Å; F34-P83 HydrophobicContact CE1-CB 4.2Å; F34-P83 WeakPolarHBondContact O-CA 3.43Å; V36-P83 HydrophobicContact CG2-CB 3.94Å; L77-P83 HydrophobicContact CD2-CG 3.75Å; P83-V86 HydrophobicContact CB-CG2 4Å; P83-V86 HydrophobicContact CG-CG2 3.62Å; P83-L121 HydrophobicContact CG-CD2 3.83Å; P83-C125 WeakPolarHBondContact O-CB 3.1Å; P83-C125 PolarHBondContact O-SG 3.47Å
84D91.4Very high82Confident43 Ų4341.5 Ų41.523%0.2322%0.224CC..SBendtrans-81.5-30.2166.8-66-97.5000111.7K33 F34 L126 W218K33-D84 WeakPolarHBondContact CA-OD2 3.28Å; K33-D84 HydrophobicContact CB-CB 4.26Å; K33-D84 HydrophobicContact CD-CB 3.7Å; K33-D84 VanDerWaalsContact CD-CG 3.45Å; K33-D84 WeakPolarHBondContact CD-OD1 3.21Å; K33-D84 IonicContact NZ-OD1 2.92Å; K33-D84 PolarHBondContact NZ-OD1 3.42Å; F34-D84 PolarHBondContact N-OD2 2.98Å; F34-D84 PolarHBondContact O-N 2.85Å; D84-L126 PolarHBondContact O-N 3.45Å; D84-W218 HydrophobicContact CB-CZ2 4.45Å
85L93.8Very high83.2Confident3 Ų341.3 Ų41.32%0.01622%0.223CC..EExtended strand (participates in β ladder)trans-142.9125.9-176.3174.158.9000110.4F34 V35 V36 I87 L126 V128 V214 W218F34-L85 PolarHBondContact O-N 2.78Å; V35-L85 CarbonylContact C-O 3.55Å; V35-L85 WeakPolarHBondContact CA-O 3.39Å; V35-L85 HydrophobicContact CG1-CB 4.2Å; V35-L85 HydrophobicContact CG1-CD2 3.88Å; V35-L85 HydrophobicContact CG1-CG 3.99Å; V35-L85 HydrophobicContact CG2-CB 4.22Å; V35-L85 HydrophobicContact CG2-CD2 4.25Å; V36-L85 PolarHBondContact N-O 2.99Å; L85-I87 HydrophobicContact CD1-CD1 4.5Å; L85-I87 HydrophobicContact CD1-CG1 3.95Å; L85-I87 HydrophobicContact CD2-CD1 3.83Å; L85-I87 HydrophobicContact CD2-CG1 4.19Å; L85-I87 HydrophobicContact CG-CD1 4.04Å; L85-I87 HydrophobicContact CG-CG1 3.92Å; L85-L126 CarbonylContact C-O 3.46Å; L85-L126 VanDerWaalsContact CA-O 3.3Å; L85-L126 WeakPolarHBondContact CA-O 3.25Å; L85-L126 HydrophobicContact CD1-CB 4.16Å; L85-L126 HydrophobicContact CD1-CD2 4.04Å; L85-L126 HydrophobicContact CD1-CG 3.99Å; L85-L126 WeakPolarHBondContact CD1-O 3.3Å; L85-V128 HydrophobicContact CD1-CG2 3.95Å; L85-V214 HydrophobicContact CD1-CG2 4.02Å; L85-V214 HydrophobicContact CD2-CG1 4.11Å; L85-V214 HydrophobicContact CD2-CG2 3.8Å; L85-W218 HydrophobicContact CB-CH2 4.25Å; L85-W218 HydrophobicContact CB-CZ2 3.99Å; L85-W218 HydrophobicContact CD2-CH2 4.27Å
86V90.7Very high84Confident0 Ų035.8 Ų35.80%020%0.197CC..EExtended strand (participates in β ladder)trans-113.7123.1168178.10000108.7V36 P83 L121 L126 L127 V128V36-V86 HydrophobicContact CB-CG2 4.3Å; V36-V86 CarbonylContact O-C 3.55Å; V36-V86 WeakPolarHBondContact O-CA 3.44Å; P83-V86 HydrophobicContact CB-CG2 4Å; P83-V86 HydrophobicContact CG-CG2 3.62Å; V86-L121 HydrophobicContact CG2-CD1 4.26Å; V86-L121 HydrophobicContact CG2-CD2 3.89Å; V86-L126 PolarHBondContact N-O 3.21Å; V86-L127 HydrophobicContact CB-CD1 4.38Å; V86-L127 HydrophobicContact CB-CG 4.29Å; V86-L127 HydrophobicContact CG1-CD1 4.2Å; V86-L127 HydrophobicContact CG1-CG 4.36Å; V86-L127 CarbonylContact O-C 3.57Å; V86-L127 WeakPolarHBondContact O-CA 3.45Å; V86-V128 PolarHBondContact O-N 2.91Å
87I93Very high84.7Confident2 Ų236.8 Ų36.81%0.0120%0.196CC..EExtended strand (participates in β ladder)trans-112.1122.4174-59.8151000107.2V35 V36 I37 L38 L85 V128 N130 L210V35-I87 HydrophobicContact CG1-CD1 4.02Å; V36-I87 PolarHBondContact O-N 2.96Å; I37-I87 CarbonylContact C-O 3.58Å; I37-I87 WeakPolarHBondContact CA-O 3.39Å; I37-I87 HydrophobicContact CD1-CD1 4.18Å; I37-I87 HydrophobicContact CG1-CB 4.31Å; I37-I87 HydrophobicContact CG1-CD1 3.91Å; L38-I87 PolarHBondContact N-O 3.19Å; L85-I87 HydrophobicContact CD1-CD1 4.5Å; L85-I87 HydrophobicContact CD1-CG1 3.95Å; L85-I87 HydrophobicContact CD2-CD1 3.83Å; L85-I87 HydrophobicContact CD2-CG1 4.19Å; L85-I87 HydrophobicContact CG-CD1 4.04Å; L85-I87 HydrophobicContact CG-CG1 3.92Å; I87-V128 WeakPolarHBondContact CA-O 3.37Å; I87-N130 VanDerWaalsContact CG2-ND2 3.33Å; I87-N130 WeakPolarHBondContact CG2-ND2 3.24Å; I87-L210 HydrophobicContact CD1-CD1 4.26Å; I87-L210 HydrophobicContact CD1-CD2 3.65Å; I87-L210 HydrophobicContact CD1-CG 4.31Å; I87-L210 HydrophobicContact CG1-CD1 4.09Å; I87-L210 HydrophobicContact CG1-CD2 4.27Å; I87-L210 HydrophobicContact CG2-CD1 4.21Å; I87-L210 HydrophobicContact CG2-CD2 4.2Å
88I91.1Very high85.3Confident3 Ų340.3 Ų40.32%0.01521%0.209CC..EExtended strand (participates in β ladder)trans-133.3139.5-175.8-177.5164.5000112.1L38 L70 M117 L127 V128 W129 N130L38-I88 HydrophobicContact CB-CB 4.28Å; L38-I88 HydrophobicContact CB-CD1 4.26Å; L38-I88 HydrophobicContact CB-CG1 4.05Å; L38-I88 HydrophobicContact CD1-CD1 4.29Å; L38-I88 VanDerWaalsContact O-CA 3.31Å; L38-I88 WeakPolarHBondContact O-CA 3.49Å; L70-I88 HydrophobicContact CD1-CD1 4.09Å; L70-I88 HydrophobicContact CD2-CD1 4.16Å; I88-M117 HydrophobicContact CD1-CE 3.42Å; I88-M117 VanDerWaalsContact CD1-CE 3.42Å; I88-L127 HydrophobicContact CG2-CD2 3.97Å; I88-L127 HydrophobicContact CG2-CG 4.39Å; I88-V128 PolarHBondContact N-O 3.49Å; I88-W129 HydrophobicContact CB-CE3 4.3Å; I88-W129 HydrophobicContact CB-CZ3 4.31Å; I88-W129 HydrophobicContact CD1-CZ3 3.82Å; I88-W129 HydrophobicContact CG1-CE3 4.19Å; I88-W129 HydrophobicContact CG1-CZ3 3.7Å; I88-W129 HydrophobicContact CG2-CD2 4.32Å; I88-W129 HydrophobicContact CG2-CE3 3.34Å; I88-W129 HydrophobicContact CG2-CZ3 3.76Å; I88-N130 PolarHBondContact O-N 2.89Å
89N92.3Very high85.8Confident6 Ų638.5 Ų38.53%0.03220%0.2CC..  trans-133.9127.7162.9174.2-101000109.6L38 G39 Q43 N130 M131 A132L38-N89 PolarHBondContact O-N 2.8Å; G39-N89 WeakPolarHBondContact CA-O 3.39Å; Q43-N89 HydrophobicContact CG-CB 3.6Å; N89-N130 HydrophobicContact CB-CB 4.02Å; N89-N130 PolarHBondContact ND2-O 2.94Å; N89-M131 PolarHBondContact ND2-O 3.38Å; N89-A132 WeakPolarHBondContact ND2-CA 3.28Å; N89-A132 PolarHBondContact ND2-N 2.66Å
90S87.4Confident86.3Confident24 Ų2440.9 Ų40.917%0.16821%0.208CC..  trans-144122.7167.8150.20000108.5D94 Y106 W129S90-D94 VanDerWaalsContact OG-CG 3.28Å; S90-D94 PolarHBondContact OG-OD2 2.84Å; S90-Y106 WeakPolarHBondContact O-CE2 3.43Å; S90-Y106 PolarHBondContact O-OH 3Å; S90-W129 VanDerWaalsContact O-CZ2 3.28Å; S90-W129 WeakPolarHBondContact O-CZ2 3.44Å
91C92.2Very high87.1Confident2 Ų242.6 Ų42.61%0.01421%0.213CC..SBendtrans-170.2-62.5179.21790000110.3W93 D94 L95 A132C91-W93 PolarHBondContact O-N 3.12Å; C91-D94 PolarHBondContact O-N 3.11Å; C91-L95 WeakPolarHBondContact O-CB 3.41Å; C91-L95 VanDerWaalsContact O-CG 3.29Å; C91-L95 WeakPolarHBondContact O-CG 3.48Å; C91-L95 PolarHBondContact O-N 3.08Å; C91-A132 HydrophobicContact CB-CB 3.89Å
92L90.7Very high87.7Confident4 Ų438.5 Ų38.52%0.02119%0.187CC..Hα-helixtrans-58.6-51.4-170.9176.160.1000113.1S96 L135 L155 V159 V196L92-S96 VanDerWaalsContact O-CB 3.24Å; L92-S96 WeakPolarHBondContact O-CB 3.38Å; L92-S96 PolarHBondContact O-N 3.08Å; L92-S96 PolarHBondContact O-OG 3.34Å; L92-L135 HydrophobicContact CD1-CD1 3.65Å; L92-L135 HydrophobicContact CD1-CD2 3.99Å; L92-L135 HydrophobicContact CD1-CG 4.43Å; L92-L135 HydrophobicContact CD2-CD2 4.09Å; L92-L155 HydrophobicContact CD1-CD1 4.37Å; L92-L155 HydrophobicContact CD1-CD2 4.02Å; L92-L155 HydrophobicContact CD1-CG 4.25Å; L92-V159 HydrophobicContact CD1-CG2 4.1Å; L92-V196 HydrophobicContact CD2-CG1 3.49Å; L92-V196 VanDerWaalsContact CD2-CG1 3.49Å; L92-V196 HydrophobicContact CD2-CG2 4.46Å
93W87.1Confident88.2Confident68 Ų6836.8 Ų36.826%0.25817%0.169SC..Hα-helixtrans-71.1-35.9-177-77.8107.7000113.1C91 S96 R97 F143C91-W93 PolarHBondContact O-N 3.12Å; W93-S96 PolarHBondContact O-N 3.41Å; W93-S96 PolarHBondContact O-OG 3.03Å; W93-R97 HydrophobicContact CE3-CG 4.09Å; W93-R97 VanDerWaalsContact CE3-CZ 3.46Å; W93-R97 VanDerWaalsContact CH2-NH2 3.26Å; W93-R97 VanDerWaalsContact O-CB 3.22Å; W93-R97 WeakPolarHBondContact O-CB 3.3Å; W93-R97 VanDerWaalsContact O-CG 3.3Å; W93-R97 WeakPolarHBondContact O-CG 3.39Å; W93-R97 PolarHBondContact O-N 3.09Å; W93-F143 HydrophobicContact CD2-CD1 4.48Å; W93-F143 AromaticContact CE2-CD1 3.93Å; W93-F143 HydrophobicContact CE3-CD1 4.46Å; W93-F143 AromaticContact CH2-CD1 3.53Å; W93-F143 HydrophobicContact CH2-CD1 3.53Å; W93-F143 HydrophobicContact CH2-CE1 4.07Å; W93-F143 HydrophobicContact CH2-CG 4.27Å; W93-F143 AromaticContact CZ2-CD1 3.47Å; W93-F143 HydrophobicContact CZ2-CD1 3.47Å; W93-F143 VanDerWaalsContact CZ2-CD1 3.47Å; W93-F143 AromaticContact CZ2-CE1 3.59Å; W93-F143 HydrophobicContact CZ2-CE1 3.59Å; W93-F143 HydrophobicContact CZ3-CB 4.4Å; W93-F143 HydrophobicContact CZ3-CD1 4.01Å; W93-F143 WeakPolarHBondContact CZ3-O 3.47Å
94D87.1Confident88.4Confident27 Ų2742.1 Ų42.114%0.14419%0.193CC..Hα-helixtrans-59.2-53.2174.2-63.7-92.6000110.2S90 C91 S96 R97 Y98 Y106S90-D94 VanDerWaalsContact OG-CG 3.28Å; S90-D94 PolarHBondContact OG-OD2 2.84Å; C91-D94 PolarHBondContact O-N 3.11Å; D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 3.12Å; D94-R97 PolarHBondContact O-N 3.17Å; D94-Y98 HydrophobicContact CB-CD2 4.07Å; D94-Y98 HydrophobicContact CB-CE2 3.53Å; D94-Y98 WeakPolarHBondContact O-CB 3.31Å; D94-Y98 VanDerWaalsContact O-CD2 3.28Å; D94-Y98 WeakPolarHBondContact O-CD2 3.39Å; D94-Y98 PolarHBondContact O-N 3.5Å; D94-Y98 WeakPolarHBondContact OD1-CE2 3.33Å; D94-Y98 PolarHBondContact OD1-OH 3.31Å; D94-Y106 HydrophobicContact CB-CD2 3.53Å; D94-Y106 HydrophobicContact CB-CE2 4.07Å; D94-Y106 HydrophobicContact CB-CG 4.45Å
95L89.8Confident88.3Confident6 Ų641.8 Ų41.83%0.03119%0.194CC..Hα-helixtrans-67-31.3-179.4-65.2176.6000113C91 S102 M103 Y106 L155 D158 V159C91-L95 WeakPolarHBondContact O-CB 3.41Å; C91-L95 VanDerWaalsContact O-CG 3.29Å; C91-L95 WeakPolarHBondContact O-CG 3.48Å; C91-L95 PolarHBondContact O-N 3.08Å; L95-S102 VanDerWaalsContact O-CB 3.29Å; L95-S102 WeakPolarHBondContact O-CB 3.49Å; L95-S102 PolarHBondContact O-OG 3.04Å; L95-M103 HydrophobicContact CD1-CE 4.22Å; L95-M103 HydrophobicContact CD2-CE 3.66Å; L95-M103 HydrophobicContact CD2-SD 4.18Å; L95-Y106 HydrophobicContact CD2-CD1 4.11Å; L95-Y106 HydrophobicContact CD2-CG 4.01Å; L95-Y106 HydrophobicContact CG-CG 4.49Å; L95-L155 HydrophobicContact CB-CD1 3.98Å; L95-D158 VanDerWaalsContact CD1-C 3.49Å; L95-D158 HydrophobicContact CD1-CB 4.19Å; L95-D158 VanDerWaalsContact CD1-O 3.27Å; L95-D158 WeakPolarHBondContact CD1-O 3.28Å; L95-V159 HydrophobicContact CD1-CG2 4.06Å
96S86.2Confident88.3Confident3 Ų341.7 Ų41.72%0.02119%0.194CC..Hα-helixtrans-83.1-15.9179.983.30000114L92 W93 D94 F143 L144 L148L92-S96 VanDerWaalsContact O-CB 3.24Å; L92-S96 WeakPolarHBondContact O-CB 3.38Å; L92-S96 PolarHBondContact O-N 3.08Å; L92-S96 PolarHBondContact O-OG 3.34Å; W93-S96 PolarHBondContact O-N 3.41Å; W93-S96 PolarHBondContact O-OG 3.03Å; D94-S96 VanDerWaalsContact C-N 3.31Å; D94-S96 PolarHBondContact O-N 3.12Å; S96-F143 WeakPolarHBondContact CB-O 3.31Å; S96-F143 PolarHBondContact OG-O 3.29Å; S96-L144 WeakPolarHBondContact O-CD2 3.39Å; S96-L148 WeakPolarHBondContact O-CD1 3.23Å
97R83.6Confident88.4Confident130 Ų13045.9 Ų45.949%0.49121%0.21SC..Hα-helixtrans-117.7-23.6-173-66.1-173.4174.6-168.16.4115.6W93 D94 G99W93-R97 HydrophobicContact CE3-CG 4.09Å; W93-R97 VanDerWaalsContact CE3-CZ 3.46Å; W93-R97 VanDerWaalsContact CH2-NH2 3.26Å; W93-R97 VanDerWaalsContact O-CB 3.22Å; W93-R97 WeakPolarHBondContact O-CB 3.3Å; W93-R97 VanDerWaalsContact O-CG 3.3Å; W93-R97 WeakPolarHBondContact O-CG 3.39Å; W93-R97 PolarHBondContact O-N 3.09Å; D94-R97 PolarHBondContact O-N 3.17Å; R97-G99 PolarHBondContact O-N 3.23Å; R97-G99 VanDerWaalsContact O-N 3.11Å
98Y80.9Confident88.3Confident89 Ų8950.8 Ų50.835%0.34923%0.232SC..SBendtrans-71.5-1.6-179.6-66.8-17.2000114.4D94 N109D94-Y98 HydrophobicContact CB-CD2 4.07Å; D94-Y98 HydrophobicContact CB-CE2 3.53Å; D94-Y98 WeakPolarHBondContact O-CB 3.31Å; D94-Y98 VanDerWaalsContact O-CD2 3.28Å; D94-Y98 WeakPolarHBondContact O-CD2 3.39Å; D94-Y98 PolarHBondContact O-N 3.5Å; D94-Y98 WeakPolarHBondContact OD1-CE2 3.33Å; D94-Y98 PolarHBondContact OD1-OH 3.31Å; Y98-N109 PolarHBondContact OH-ND2 3.43Å
99G81.8Confident88.1Confident12 Ų1252.8 Ų52.812%0.12424%0.243CC..G310 helixtrans79.8-144.9172.500000112.9R97 C101 S102R97-G99 PolarHBondContact O-N 3.23Å; R97-G99 VanDerWaalsContact O-N 3.11Å; G99-C101 VanDerWaalsContact C-N 3.34Å; G99-C101 PolarHBondContact O-N 2.85Å; G99-S102 VanDerWaalsContact O-CB 3.27Å; G99-S102 WeakPolarHBondContact O-CB 3.41Å; G99-S102 PolarHBondContact O-N 3.44Å; G99-S102 PolarHBondContact O-OG 2.99Å
100R80.8Confident88.1Confident235 Ų23552.8 Ų52.889%0.88724%0.243SC*.G310 helixtrans-68.4-28.2-169.5-68.5-173.6-173.2-133.52.1114.5
101C84.9Confident88.4Confident73 Ų7356 Ų5649%0.49326%0.256SS..G310 helixtrans-102.931.4177.7-59.20000111.3G99 M103 E104 S105G99-C101 VanDerWaalsContact C-N 3.34Å; G99-C101 PolarHBondContact O-N 2.85Å; C101-M103 VanDerWaalsContact C-N 3.3Å; C101-M103 PolarHBondContact O-N 2.84Å; C101-E104 HydrophobicContact CB-CB 4.43Å; C101-E104 PolarHBondContact O-N 2.81Å; C101-E104 VanDerWaalsContact O-N 3.13Å; C101-S105 PolarHBondContact O-N 2.93Å; C101-S105 PolarHBondContact O-OG 3.18Å
102S86.9Confident88.1Confident12 Ų1264 Ų648%0.08429%0.285CS..Hα-helixtrans-59.3-38.2-168.459.20000114.1L95 G99 Y106L95-S102 VanDerWaalsContact O-CB 3.29Å; L95-S102 WeakPolarHBondContact O-CB 3.49Å; L95-S102 PolarHBondContact O-OG 3.04Å; G99-S102 VanDerWaalsContact O-CB 3.27Å; G99-S102 WeakPolarHBondContact O-CB 3.41Å; G99-S102 PolarHBondContact O-N 3.44Å; G99-S102 PolarHBondContact O-OG 2.99Å; S102-Y106 WeakPolarHBondContact O-CB 3.25Å; S102-Y106 PolarHBondContact O-N 3.45Å
103M93.3Very high87.9Confident26 Ų2664.6 Ų64.613%0.12829%0.289CS..Hα-helixtrans-67.5-41.7177.2-174.357.465.300112.5L95 C101 Y106 R107 D158 E161L95-M103 HydrophobicContact CD1-CE 4.22Å; L95-M103 HydrophobicContact CD2-CE 3.66Å; L95-M103 HydrophobicContact CD2-SD 4.18Å; C101-M103 VanDerWaalsContact C-N 3.3Å; C101-M103 PolarHBondContact O-N 2.84Å; M103-Y106 PolarHBondContact O-N 2.74Å; M103-Y106 HydrophobicContact SD-CD1 4.14Å; M103-R107 VanDerWaalsContact O-CG 3.29Å; M103-R107 WeakPolarHBondContact O-CG 3.4Å; M103-R107 PolarHBondContact O-N 2.83Å; M103-R107 HydrophobicContact SD-CG 4.47Å; M103-D158 HydrophobicContact CE-CB 4.38Å; M103-D158 VanDerWaalsContact CE-O 3.28Å; M103-D158 WeakPolarHBondContact CE-O 3.29Å; M103-E161 HydrophobicContact CE-CB 3.84Å; M103-E161 HydrophobicContact CE-CG 3.82Å; M103-E161 HydrophobicContact SD-CG 4.27Å
104E92.8Very high88.2Confident117 Ų11761.3 Ų61.355%0.54728%0.277SS..Hα-helixtrans-63-51.8177.8-177177.3-164.100110.4C101 Y106 R107 E108C101-E104 HydrophobicContact CB-CB 4.43Å; C101-E104 PolarHBondContact O-N 2.81Å; C101-E104 VanDerWaalsContact O-N 3.13Å; E104-Y106 VanDerWaalsContact C-N 3.28Å; E104-Y106 PolarHBondContact O-N 3.24Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-R107 VanDerWaalsContact O-N 3.17Å; E104-E108 WeakPolarHBondContact O-CG 3.37Å; E104-E108 PolarHBondContact O-N 3Å; E104-E108 VanDerWaalsContact O-N 3.08Å
105S89.4Confident88.5Confident36 Ų3663.2 Ų63.225%0.25229%0.289SS..Hα-helixtrans-61.9-35.9176.5-56.80000112.6C101 N109C101-S105 PolarHBondContact O-N 2.93Å; C101-S105 PolarHBondContact O-OG 3.18Å; S105-N109 VanDerWaalsContact O-CB 3.27Å; S105-N109 WeakPolarHBondContact O-CB 3.49Å; S105-N109 PolarHBondContact O-N 2.93Å; S105-N109 PolarHBondContact O-ND2 2.78Å
106Y92Very high88.3Confident1 Ų167.1 Ų67.10%0.00430%0.304CS..Hα-helixtrans-61.9-46.4175175.7-113.7000111.5S90 D94 L95 S102 M103 E104 L110 S166S90-Y106 WeakPolarHBondContact O-CE2 3.43Å; S90-Y106 PolarHBondContact O-OH 3Å; D94-Y106 HydrophobicContact CB-CD2 3.53Å; D94-Y106 HydrophobicContact CB-CE2 4.07Å; D94-Y106 HydrophobicContact CB-CG 4.45Å; L95-Y106 HydrophobicContact CD2-CD1 4.11Å; L95-Y106 HydrophobicContact CD2-CG 4.01Å; L95-Y106 HydrophobicContact CG-CG 4.49Å; S102-Y106 WeakPolarHBondContact O-CB 3.25Å; S102-Y106 PolarHBondContact O-N 3.45Å; M103-Y106 PolarHBondContact O-N 2.74Å; M103-Y106 HydrophobicContact SD-CD1 4.14Å; E104-Y106 VanDerWaalsContact C-N 3.28Å; E104-Y106 PolarHBondContact O-N 3.24Å; Y106-L110 HydrophobicContact CE1-CD2 4.31Å; Y106-L110 WeakPolarHBondContact O-CB 3.48Å; Y106-L110 PolarHBondContact O-N 3.08Å; Y106-S166 WeakPolarHBondContact OH-CB 3.28Å
107R93.7Very high88.4Confident87 Ų8767 Ų6733%0.32830%0.303SS..Hα-helixtrans-61.6-50178.5-69.2-179.8-179.1167.25.8112.1M103 E104 N109 L110 E111 E161 Y165M103-R107 VanDerWaalsContact O-CG 3.29Å; M103-R107 WeakPolarHBondContact O-CG 3.4Å; M103-R107 PolarHBondContact O-N 2.83Å; M103-R107 HydrophobicContact SD-CG 4.47Å; E104-R107 PolarHBondContact O-N 3.07Å; E104-R107 VanDerWaalsContact O-N 3.17Å; R107-N109 PolarHBondContact O-N 2.85Å; R107-L110 PolarHBondContact O-N 2.96Å; R107-E111 WeakPolarHBondContact O-CG 3.49Å; R107-E111 PolarHBondContact O-N 2.86Å; R107-E161 IonicContact CZ-OE1 3.85Å; R107-E161 IonicContact NH2-OE1 2.7Å; R107-E161 PolarHBondContact NH2-OE1 2.79Å; R107-Y165 HydrophobicContact CB-CD1 4.44Å; R107-Y165 HydrophobicContact CB-CE1 3.78Å; R107-Y165 HydrophobicContact CB-CE2 4.3Å; R107-Y165 HydrophobicContact CG-CD1 3.75Å; R107-Y165 HydrophobicContact CG-CD2 3.94Å; R107-Y165 HydrophobicContact CG-CE1 3.55Å; R107-Y165 HydrophobicContact CG-CE2 3.74Å; R107-Y165 HydrophobicContact CG-CG 3.93Å
108E90.8Very high88.8Confident105 Ų10564.7 Ų64.749%0.49130%0.3SS..Hα-helixtrans-60.8-44.6-180-69.3179.616300112.2E104 L110 R112E104-E108 WeakPolarHBondContact O-CG 3.37Å; E104-E108 PolarHBondContact O-N 3Å; E104-E108 VanDerWaalsContact O-N 3.08Å; E108-L110 VanDerWaalsContact C-N 3.35Å; E108-R112 WeakPolarHBondContact O-CG 3.37Å; E108-R112 PolarHBondContact O-N 3.21Å
109N86.6Confident89.2Confident45 Ų4566.4 Ų66.424%0.24131%0.311CS..Hα-helixtrans-66.7-39.7178-72.8-22.9000111.2Y98 S105 R107 R112 V113Y98-N109 PolarHBondContact OH-ND2 3.43Å; S105-N109 VanDerWaalsContact O-CB 3.27Å; S105-N109 WeakPolarHBondContact O-CB 3.49Å; S105-N109 PolarHBondContact O-N 2.93Å; S105-N109 PolarHBondContact O-ND2 2.78Å; R107-N109 PolarHBondContact O-N 2.85Å; N109-R112 PolarHBondContact O-N 3.07Å; N109-V113 VanDerWaalsContact O-CG2 3.24Å; N109-V113 WeakPolarHBondContact O-CG2 3.49Å; N109-V113 PolarHBondContact O-N 2.92Å
110L92.4Very high89.4Confident6 Ų666.9 Ų66.93%0.03131%0.312CS..Hα-helixtrans-66.9-43.2-178.7-165.869.9000112.3Y106 R107 E108 R112 V113 F114 W129 Y165 L169Y106-L110 HydrophobicContact CE1-CD2 4.31Å; Y106-L110 WeakPolarHBondContact O-CB 3.48Å; Y106-L110 PolarHBondContact O-N 3.08Å; R107-L110 PolarHBondContact O-N 2.96Å; E108-L110 VanDerWaalsContact C-N 3.35Å; L110-R112 VanDerWaalsContact C-N 3.33Å; L110-R112 PolarHBondContact O-N 3.21Å; L110-V113 PolarHBondContact O-N 3.32Å; L110-F114 HydrophobicContact CD1-CD1 3.99Å; L110-F114 HydrophobicContact CD1-CE1 3.36Å; L110-F114 HydrophobicContact CD1-CZ 3.89Å; L110-F114 HydrophobicContact CD2-CE1 4.45Å; L110-F114 HydrophobicContact CD2-CZ 4.24Å; L110-F114 HydrophobicContact CG-CD1 4.1Å; L110-F114 HydrophobicContact CG-CE1 3.76Å; L110-F114 HydrophobicContact CG-CZ 4.02Å; L110-F114 WeakPolarHBondContact O-CD1 3.4Å; L110-F114 PolarHBondContact O-N 3.49Å; L110-W129 HydrophobicContact CD1-CH2 3.34Å; L110-W129 HydrophobicContact CD1-CZ2 3.81Å; L110-W129 HydrophobicContact CD1-CZ3 4Å; L110-Y165 HydrophobicContact CD2-CD1 4.01Å; L110-Y165 HydrophobicContact CD2-CE1 4.12Å; L110-L169 HydrophobicContact CB-CD2 4.23Å; L110-L169 HydrophobicContact CD2-CD2 3.87Å; L110-L169 HydrophobicContact CG-CD2 3.81Å
111E93.3Very high89.8Confident92 Ų9256.6 Ų56.643%0.4327%0.274SS..Hα-helixtrans-55.8-48.1172.7-74.5176.7-169.200111.4R107 V113 F114 V115 Y165 L169R107-E111 WeakPolarHBondContact O-CG 3.49Å; R107-E111 PolarHBondContact O-N 2.86Å; E111-V113 VanDerWaalsContact C-N 3.31Å; E111-V113 PolarHBondContact O-N 2.82Å; E111-F114 PolarHBondContact O-N 2.9Å; E111-V115 WeakPolarHBondContact O-CB 3.43Å; E111-V115 VanDerWaalsContact O-CG2 3.32Å; E111-V115 WeakPolarHBondContact O-CG2 3.45Å; E111-V115 PolarHBondContact O-N 2.98Å; E111-Y165 PolarHBondContact OE1-OH 2.99Å; E111-L169 HydrophobicContact CG-CD1 4.31Å; E111-L169 HydrophobicContact CG-CD2 4.07Å
112R86.6Confident90.1Very high169 Ų16955.2 Ų55.264%0.63827%0.265SS*.Hα-helixtrans-60.6-41.6178.5-72.3173.560-160.4-6.7112.1E108 N109 L110 R116E108-R112 WeakPolarHBondContact O-CG 3.37Å; E108-R112 PolarHBondContact O-N 3.21Å; N109-R112 PolarHBondContact O-N 3.07Å; L110-R112 VanDerWaalsContact C-N 3.33Å; L110-R112 PolarHBondContact O-N 3.21Å; R112-R116 WeakPolarHBondContact O-CB 3.49Å; R112-R116 PolarHBondContact O-N 3.18Å
113V86.6Confident90.4Very high17 Ų1763 Ų6310%0.10331%0.305CS..Hα-helixtrans-65.6-45.2178.2166.30000110.8L70 N109 L110 E111 R116 M117L70-V113 HydrophobicContact CD2-CB 4.2Å; L70-V113 HydrophobicContact CD2-CG1 3.49Å; L70-V113 VanDerWaalsContact CD2-CG1 3.49Å; L70-V113 HydrophobicContact CD2-CG2 3.59Å; L70-V113 HydrophobicContact CG-CG1 4.35Å; L70-V113 HydrophobicContact CG-CG2 4.35Å; N109-V113 VanDerWaalsContact O-CG2 3.24Å; N109-V113 WeakPolarHBondContact O-CG2 3.49Å; N109-V113 PolarHBondContact O-N 2.92Å; L110-V113 PolarHBondContact O-N 3.32Å; E111-V113 VanDerWaalsContact C-N 3.31Å; E111-V113 PolarHBondContact O-N 2.82Å; V113-R116 CarbonylContact O-C 3.54Å; V113-R116 PolarHBondContact O-N 3.32Å; V113-R116 VanDerWaalsContact O-N 3.12Å; V113-M117 HydrophobicContact CG1-CE 3.87Å; V113-M117 HydrophobicContact CG1-CG 4.34Å; V113-M117 HydrophobicContact CG1-SD 3.91Å; V113-M117 WeakPolarHBondContact O-CG 3.37Å; V113-M117 PolarHBondContact O-N 2.82Å
114F93.6Very high90.4Very high0 Ų066.4 Ų66.40%033%0.331CS..Hα-helixtrans-68.8-43.3-175.6-80.228.6000111.1L110 E111 R116 M117 D118 W129 L169 A170 H173 F175L110-F114 HydrophobicContact CD1-CD1 3.99Å; L110-F114 HydrophobicContact CD1-CE1 3.36Å; L110-F114 HydrophobicContact CD1-CZ 3.89Å; L110-F114 HydrophobicContact CD2-CE1 4.45Å; L110-F114 HydrophobicContact CD2-CZ 4.24Å; L110-F114 HydrophobicContact CG-CD1 4.1Å; L110-F114 HydrophobicContact CG-CE1 3.76Å; L110-F114 HydrophobicContact CG-CZ 4.02Å; L110-F114 WeakPolarHBondContact O-CD1 3.4Å; L110-F114 PolarHBondContact O-N 3.49Å; E111-F114 PolarHBondContact O-N 2.9Å; F114-R116 PolarHBondContact O-N 3.26Å; F114-M117 WeakPolarHBondContact O-CB 3.46Å; F114-M117 PolarHBondContact O-N 2.81Å; F114-M117 VanDerWaalsContact O-N 3.09Å; F114-D118 PolarHBondContact O-N 2.87Å; F114-W129 HydrophobicContact CE1-CD2 4.25Å; F114-W129 AromaticContact CE1-CE3 3.55Å; F114-W129 HydrophobicContact CE1-CE3 3.55Å; F114-W129 AromaticContact CE1-CH2 3.95Å; F114-W129 HydrophobicContact CE1-CH2 3.95Å; F114-W129 AromaticContact CE1-CZ3 3.41Å; F114-W129 HydrophobicContact CE1-CZ3 3.41Å; F114-W129 VanDerWaalsContact CE1-CZ3 3.41Å; F114-W129 AromaticContact CZ-CD2 3.7Å; F114-W129 HydrophobicContact CZ-CD2 3.7Å; F114-W129 AromaticContact CZ-CE3 3.46Å; F114-W129 HydrophobicContact CZ-CE3 3.46Å; F114-W129 VanDerWaalsContact CZ-CE3 3.46Å; F114-W129 HydrophobicContact CZ-CG 4.35Å; F114-W129 HydrophobicContact CZ-CH2 4.16Å; F114-W129 HydrophobicContact CZ-CZ2 4.3Å; F114-W129 AromaticContact CZ-CZ3 3.74Å; F114-W129 HydrophobicContact CZ-CZ3 3.74Å; F114-L169 HydrophobicContact CB-CD2 4.49Å; F114-L169 HydrophobicContact CD2-CB 4.28Å; F114-L169 HydrophobicContact CD2-CD2 3.79Å; F114-L169 HydrophobicContact CD2-CG 3.59Å; F114-L169 HydrophobicContact CE2-CB 4.15Å; F114-L169 HydrophobicContact CE2-CD2 4.09Å; F114-L169 HydrophobicContact CE2-CG 3.95Å; F114-L169 HydrophobicContact CG-CD2 4.1Å; F114-L169 HydrophobicContact CG-CG 4.32Å; F114-A170 VanDerWaalsContact CE2-CA 3.47Å; F114-A170 HydrophobicContact CE2-CB 3.76Å; F114-A170 HydrophobicContact CZ-CB 4.38Å; F114-H173 HydrophobicContact CD2-CB 4.39Å; F114-H173 AromaticContact CD2-CD2 3.86Å; F114-F175 HydrophobicContact CB-CE2 4.04Å; F114-F175 HydrophobicContact CD1-CE2 4.38Å; F114-F175 AromaticContact CD2-CD2 3.88Å; F114-F175 HydrophobicContact CD2-CD2 3.88Å; F114-F175 AromaticContact CD2-CE2 3.88Å; F114-F175 HydrophobicContact CD2-CE2 3.88Å; F114-F175 HydrophobicContact CE2-CD2 4.09Å; F114-F175 HydrophobicContact CE2-CE2 4.49Å; F114-F175 HydrophobicContact CG-CD2 4.27Å; F114-F175 AromaticContact CG-CE2 3.85Å; F114-F175 HydrophobicContact CG-CE2 3.85Å
115V92.2Very high90.6Very high67 Ų6761.7 Ų61.741%0.40631%0.311SS..Hα-helixtrans-56.8-40.1170.3170.70000111.1E111 Q119E111-V115 WeakPolarHBondContact O-CB 3.43Å; E111-V115 VanDerWaalsContact O-CG2 3.32Å; E111-V115 WeakPolarHBondContact O-CG2 3.45Å; E111-V115 PolarHBondContact O-N 2.98Å; V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.45Å; V115-Q119 PolarHBondContact O-N 3.08Å
116R86.4Confident90.9Very high87 Ų8761.1 Ų61.133%0.32831%0.305SS..Hα-helixtrans-70.5-36.2177.8-173.357-179.2152.97.6111.9L74 T78 R112 V113 F114 Q119 V120L74-R116 HydrophobicContact CB-CG 4.38Å; L74-R116 HydrophobicContact CD1-CB 4.24Å; L74-R116 HydrophobicContact CD1-CG 3.84Å; L74-R116 HydrophobicContact CD2-CG 4.3Å; L74-R116 HydrophobicContact CG-CG 4.41Å; T78-R116 PolarHBondContact OG1-NH2 3.01Å; R112-R116 WeakPolarHBondContact O-CB 3.49Å; R112-R116 PolarHBondContact O-N 3.18Å; V113-R116 CarbonylContact O-C 3.54Å; V113-R116 PolarHBondContact O-N 3.32Å; V113-R116 VanDerWaalsContact O-N 3.12Å; F114-R116 PolarHBondContact O-N 3.26Å; R116-Q119 VanDerWaalsContact NH1-OE1 3.15Å; R116-Q119 WeakPolarHBondContact O-CB 3.47Å; R116-Q119 PolarHBondContact O-N 3.17Å; R116-Q119 VanDerWaalsContact O-N 3.16Å; R116-V120 HydrophobicContact CG-CG1 4.24Å; R116-V120 VanDerWaalsContact NH2-CG1 3.34Å; R116-V120 WeakPolarHBondContact O-CG1 3.15Å; R116-V120 WeakPolarHBondContact O-CG2 3.28Å; R116-V120 PolarHBondContact O-N 2.65Å; R116-V120 VanDerWaalsContact O-N 3.09Å
117M88.2Confident91.2Very high2 Ų261.4 Ų61.41%0.0131%0.307CS..Hα-helixtrans-61.9-45.8176.8-76.4178.6163.700111.7L70 L74 I88 V113 F114 Q119 V120 L121 L127 F175L70-M117 HydrophobicContact CD1-CE 4.33Å; L74-M117 HydrophobicContact CD2-CE 4.49Å; L74-M117 HydrophobicContact CD2-CG 4.03Å; I88-M117 HydrophobicContact CD1-CE 3.42Å; I88-M117 VanDerWaalsContact CD1-CE 3.42Å; V113-M117 HydrophobicContact CG1-CE 3.87Å; V113-M117 HydrophobicContact CG1-CG 4.34Å; V113-M117 HydrophobicContact CG1-SD 3.91Å; V113-M117 WeakPolarHBondContact O-CG 3.37Å; V113-M117 PolarHBondContact O-N 2.82Å; F114-M117 WeakPolarHBondContact O-CB 3.46Å; F114-M117 PolarHBondContact O-N 2.81Å; F114-M117 VanDerWaalsContact O-N 3.09Å; M117-Q119 PolarHBondContact O-N 3.41Å; M117-V120 PolarHBondContact O-N 3.34Å; M117-L121 HydrophobicContact CB-CD1 4.14Å; M117-L121 HydrophobicContact CG-CD1 4.45Å; M117-L121 WeakPolarHBondContact O-CB 3.46Å; M117-L121 WeakPolarHBondContact O-CG 3.19Å; M117-L121 PolarHBondContact O-N 3.16Å; M117-L127 HydrophobicContact CB-CD1 4.35Å; M117-L127 HydrophobicContact CE-CD1 4.3Å; M117-L127 HydrophobicContact CG-CD1 4.3Å; M117-L127 HydrophobicContact SD-CD1 3.48Å; M117-L127 WeakPolarHBondContact SD-CD1 3.41Å; M117-F175 HydrophobicContact CB-CE2 4.15Å; M117-F175 HydrophobicContact CB-CZ 3.78Å
118D91.1Very high91.4Very high80 Ų8057.2 Ų57.243%0.42829%0.291SS..Hα-helixtrans-55.6-33.7173-76.2-11.7000113F114 H173 F175F114-D118 PolarHBondContact O-N 2.87Å; D118-H173 IonicContact OD1-ND1 3.38Å; D118-H173 IonicContact OD2-CE1 3.95Å; D118-H173 PolarHBondContact OD2-CE1 3.01Å; D118-H173 IonicContact OD2-CG 2.66Å; D118-H173 IonicContact OD2-ND1 3.01Å; D118-H173 PolarHBondContact OD2-ND1 3.34Å; D118-F175 VanDerWaalsContact OD1-CE1 3.25Å; D118-F175 WeakPolarHBondContact OD1-CE1 3.28Å; D118-F175 WeakPolarHBondContact OD1-CZ 3.22Å
119Q89.4Confident91.7Very high125 Ų12552.3 Ų52.358%0.58427%0.268SS*.Hα-helixtrans-80.6-29.6-178.1-68.5168.95.800113.5V115 R116 M117V115-Q119 VanDerWaalsContact O-CG 3.28Å; V115-Q119 WeakPolarHBondContact O-CG 3.45Å; V115-Q119 PolarHBondContact O-N 3.08Å; R116-Q119 VanDerWaalsContact NH1-OE1 3.15Å; R116-Q119 WeakPolarHBondContact O-CB 3.47Å; R116-Q119 PolarHBondContact O-N 3.17Å; R116-Q119 VanDerWaalsContact O-N 3.16Å; M117-Q119 PolarHBondContact O-N 3.41Å
120V86.1Confident92.2Very high22 Ų2250.1 Ų50.113%0.13326%0.256CS..Hα-helixtrans-102.7-28.5-171.8-57.70000113.3L74 L77 T78 R116 M117L74-V120 HydrophobicContact CD2-CG2 3.99Å; L77-V120 HydrophobicContact CB-CG2 4.39Å; T78-V120 WeakPolarHBondContact OG1-CG1 3.48Å; R116-V120 HydrophobicContact CG-CG1 4.24Å; R116-V120 VanDerWaalsContact NH2-CG1 3.34Å; R116-V120 WeakPolarHBondContact O-CG1 3.15Å; R116-V120 WeakPolarHBondContact O-CG2 3.28Å; R116-V120 PolarHBondContact O-N 2.65Å; R116-V120 VanDerWaalsContact O-N 3.09Å; M117-V120 PolarHBondContact O-N 3.34Å
121L89.3Confident92.4Very high20 Ų2050.8 Ų50.811%0.10526%0.259CS..SBendtrans-85.9136.3-179-61.1178.3000109.7L77 P83 V86 M117 C125 L127L77-L121 HydrophobicContact CD1-CD2 4.16Å; P83-L121 HydrophobicContact CG-CD2 3.83Å; V86-L121 HydrophobicContact CG2-CD1 4.26Å; V86-L121 HydrophobicContact CG2-CD2 3.89Å; M117-L121 HydrophobicContact CB-CD1 4.14Å; M117-L121 HydrophobicContact CG-CD1 4.45Å; M117-L121 WeakPolarHBondContact O-CB 3.46Å; M117-L121 WeakPolarHBondContact O-CG 3.19Å; M117-L121 PolarHBondContact O-N 3.16Å; L121-C125 HydrophobicContact CB-CB 4.22Å; L121-L127 HydrophobicContact CD1-CB 4.39Å; L121-L127 HydrophobicContact CD1-CD1 3.52Å
122P92.6Very high92.6Very high44 Ų4446.7 Ų46.729%0.28624%0.241SC..  trans-70.4154.8172.832.4-36.8000110.4A82 S124 C125A82-P122 HydrophobicContact CB-CG 3.97Å; P122-S124 PolarHBondContact O-N 2.79Å; P122-C125 HydrophobicContact CG-CB 3.89Å; P122-C125 WeakPolarHBondContact O-CB 3.5Å; P122-C125 PolarHBondContact O-N 3.14Å
123D92.9Very high93Very high175 Ų17538.9 Ų38.994%0.93621%0.212SC*.THydrogen-bonded Turntrans-55.6-23175.9-59.6-19.6000113.7C125D123-C125 VanDerWaalsContact C-N 3.32Å
124S93.4Very high93.5Very high97 Ų9738.5 Ų38.568%0.67821%0.21SC*.THydrogen-bonded Turntrans-80.4-11.1176.761.80000114P122P122-S124 PolarHBondContact O-N 2.79Å
125C95.3Very high93.5Very high19 Ų1938.9 Ų38.913%0.12821%0.212CC..PPolyproline II helixtrans-79.2126.7179.2-172.40000109.9P83 L121 P122 D123P83-C125 WeakPolarHBondContact O-CB 3.1Å; P83-C125 PolarHBondContact O-SG 3.47Å; L121-C125 HydrophobicContact CB-CB 4.22Å; P122-C125 HydrophobicContact CG-CB 3.89Å; P122-C125 WeakPolarHBondContact O-CB 3.5Å; P122-C125 PolarHBondContact O-N 3.14Å; D123-C125 VanDerWaalsContact C-N 3.32Å
126L97.4Very high93.5Very high23 Ų2335.9 Ų35.912%0.1220%0.195CC..EExtended strand (participates in β ladder)trans-82.7118.5168.8177.760.5000109.2D84 L85 V86 V128 D176 V214 A217D84-L126 PolarHBondContact O-N 3.45Å; L85-L126 CarbonylContact C-O 3.46Å; L85-L126 VanDerWaalsContact CA-O 3.3Å; L85-L126 WeakPolarHBondContact CA-O 3.25Å; L85-L126 HydrophobicContact CD1-CB 4.16Å; L85-L126 HydrophobicContact CD1-CD2 4.04Å; L85-L126 HydrophobicContact CD1-CG 3.99Å; L85-L126 WeakPolarHBondContact CD1-O 3.3Å; V86-L126 PolarHBondContact N-O 3.21Å; L126-V128 HydrophobicContact CD1-CG2 4.44Å; L126-V128 HydrophobicContact CD2-CG2 4.22Å; L126-V128 HydrophobicContact CG-CG2 4Å; L126-D176 HydrophobicContact CD1-CB 4.42Å; L126-V214 HydrophobicContact CD2-CB 4.47Å; L126-V214 HydrophobicContact CD2-CG1 4.34Å; L126-V214 HydrophobicContact CD2-CG2 4.25Å; L126-A217 HydrophobicContact CD1-CB 3.97Å; L126-A217 HydrophobicContact CD2-CB 3.63Å; L126-A217 HydrophobicContact CG-CB 4.48Å
127L96.8Very high93.5Very high7 Ų740.1 Ų40.14%0.03722%0.219CC..EExtended strand (participates in β ladder)trans-101.8123.1168.6-170148.6000110.5V86 I88 M117 L121 W129 F175 D176V86-L127 HydrophobicContact CB-CD1 4.38Å; V86-L127 HydrophobicContact CB-CG 4.29Å; V86-L127 HydrophobicContact CG1-CD1 4.2Å; V86-L127 HydrophobicContact CG1-CG 4.36Å; V86-L127 CarbonylContact O-C 3.57Å; V86-L127 WeakPolarHBondContact O-CA 3.45Å; I88-L127 HydrophobicContact CG2-CD2 3.97Å; I88-L127 HydrophobicContact CG2-CG 4.39Å; M117-L127 HydrophobicContact CB-CD1 4.35Å; M117-L127 HydrophobicContact CE-CD1 4.3Å; M117-L127 HydrophobicContact CG-CD1 4.3Å; M117-L127 HydrophobicContact SD-CD1 3.48Å; M117-L127 WeakPolarHBondContact SD-CD1 3.41Å; L121-L127 HydrophobicContact CD1-CB 4.39Å; L121-L127 HydrophobicContact CD1-CD1 3.52Å; L127-W129 HydrophobicContact CD2-CB 4.33Å; L127-F175 HydrophobicContact CB-CD1 4.09Å; L127-F175 HydrophobicContact CB-CG 4.35Å; L127-F175 HydrophobicContact CD1-CD2 4.44Å; L127-F175 HydrophobicContact CD1-CE1 4.49Å; L127-F175 HydrophobicContact CD1-CE2 4.38Å; L127-F175 HydrophobicContact CD1-CZ 4.41Å; L127-F175 HydrophobicContact CD2-CB 3.71Å; L127-F175 HydrophobicContact CD2-CD1 4.27Å; L127-F175 HydrophobicContact CD2-CD2 3.82Å; L127-F175 HydrophobicContact CD2-CG 3.67Å; L127-F175 HydrophobicContact CG-CG 4.38Å; L127-D176 WeakPolarHBondContact O-CB 3.33Å; L127-D176 PolarHBondContact O-N 2.9Å
128V97.8Very high93.3Very high0 Ų049.8 Ų49.80%026%0.255CS..EExtended strand (participates in β ladder)trans-111.9109.9174.2-173.40000109.8L85 V86 I87 I88 L126 N130 D176 L178 L210 V214L85-V128 HydrophobicContact CD1-CG2 3.95Å; V86-V128 PolarHBondContact O-N 2.91Å; I87-V128 WeakPolarHBondContact CA-O 3.37Å; I88-V128 PolarHBondContact N-O 3.49Å; L126-V128 HydrophobicContact CD1-CG2 4.44Å; L126-V128 HydrophobicContact CD2-CG2 4.22Å; L126-V128 HydrophobicContact CG-CG2 4Å; V128-N130 PolarHBondContact O-N 3.35Å; V128-D176 CarbonylContact C-O 3.51Å; V128-D176 HydrophobicContact CG2-CB 4.37Å; V128-L178 HydrophobicContact CG1-CB 4.03Å; V128-L210 HydrophobicContact CB-CD1 4.46Å; V128-L210 HydrophobicContact CG1-CD1 4.04Å; V128-V214 HydrophobicContact CG2-CG2 4.38Å
129W97.4Very high93Very high1 Ų147.4 Ų47.40%0.00424%0.242CC..EExtended strand (participates in β ladder)trans-82.9105171.6-174.4-97000110.6I88 S90 L110 F114 L127 S166 A170 D176 V177 L178I88-W129 HydrophobicContact CB-CE3 4.3Å; I88-W129 HydrophobicContact CB-CZ3 4.31Å; I88-W129 HydrophobicContact CD1-CZ3 3.82Å; I88-W129 HydrophobicContact CG1-CE3 4.19Å; I88-W129 HydrophobicContact CG1-CZ3 3.7Å; I88-W129 HydrophobicContact CG2-CD2 4.32Å; I88-W129 HydrophobicContact CG2-CE3 3.34Å; I88-W129 HydrophobicContact CG2-CZ3 3.76Å; S90-W129 VanDerWaalsContact O-CZ2 3.28Å; S90-W129 WeakPolarHBondContact O-CZ2 3.44Å; L110-W129 HydrophobicContact CD1-CH2 3.34Å; L110-W129 HydrophobicContact CD1-CZ2 3.81Å; L110-W129 HydrophobicContact CD1-CZ3 4Å; F114-W129 HydrophobicContact CE1-CD2 4.25Å; F114-W129 AromaticContact CE1-CE3 3.55Å; F114-W129 HydrophobicContact CE1-CE3 3.55Å; F114-W129 AromaticContact CE1-CH2 3.95Å; F114-W129 HydrophobicContact CE1-CH2 3.95Å; F114-W129 AromaticContact CE1-CZ3 3.41Å; F114-W129 HydrophobicContact CE1-CZ3 3.41Å; F114-W129 VanDerWaalsContact CE1-CZ3 3.41Å; F114-W129 AromaticContact CZ-CD2 3.7Å; F114-W129 HydrophobicContact CZ-CD2 3.7Å; F114-W129 AromaticContact CZ-CE3 3.46Å; F114-W129 HydrophobicContact CZ-CE3 3.46Å; F114-W129 VanDerWaalsContact CZ-CE3 3.46Å; F114-W129 HydrophobicContact CZ-CG 4.35Å; F114-W129 HydrophobicContact CZ-CH2 4.16Å; F114-W129 HydrophobicContact CZ-CZ2 4.3Å; F114-W129 AromaticContact CZ-CZ3 3.74Å; F114-W129 HydrophobicContact CZ-CZ3 3.74Å; L127-W129 HydrophobicContact CD2-CB 4.33Å; W129-S166 VanDerWaalsContact NE1-CB 3.32Å; W129-S166 PolarHBondContact NE1-OG 3.06Å; W129-S166 VanDerWaalsContact NE1-OG 3.1Å; W129-A170 HydrophobicContact CB-CB 4.21Å; W129-A170 HydrophobicContact CG-CB 4.37Å; W129-D176 PolarHBondContact N-O 2.81Å; W129-V177 HydrophobicContact CB-CG2 4.48Å; W129-V177 WeakPolarHBondContact O-CA 3.46Å; W129-L178 PolarHBondContact O-N 3.12Å
130N97.4Very high92.6Very high0 Ų045.2 Ų45.20%024%0.237CC..EExtended strand (participates in β ladder)trans-79123172.4-76.5-12.3000109.2Q43 I87 I88 N89 V128 L178 L180Q43-N130 PolarHBondContact NE2-ND2 3.27Å; Q43-N130 PolarHBondContact OE1-ND2 3.16Å; Q43-N130 VanDerWaalsContact OE1-ND2 3.08Å; I87-N130 VanDerWaalsContact CG2-ND2 3.33Å; I87-N130 WeakPolarHBondContact CG2-ND2 3.24Å; I88-N130 PolarHBondContact O-N 2.89Å; N89-N130 HydrophobicContact CB-CB 4.02Å; N89-N130 PolarHBondContact ND2-O 2.94Å; V128-N130 PolarHBondContact O-N 3.35Å; N130-L178 WeakPolarHBondContact OD1-CB 3.37Å; N130-L180 HydrophobicContact CB-CD1 3.84Å; N130-L180 HydrophobicContact CB-CG 4.38Å
131M97.5Very high91.9Very high19 Ų1946.7 Ų46.79%0.09426%0.257CS..PPolyproline II helixtrans-68.6155.6166.2-68.9-168.3-126.800111N89 N163 A167 V177 L178 D179 L180N89-M131 PolarHBondContact ND2-O 3.38Å; M131-N163 HydrophobicContact CB-CB 4.29Å; M131-N163 HydrophobicContact CG-CB 4.26Å; M131-N163 HydrophobicContact SD-CB 3.86Å; M131-A167 HydrophobicContact CE-CB 3.57Å; M131-A167 HydrophobicContact CG-CB 4.47Å; M131-A167 HydrophobicContact SD-CB 3.98Å; M131-V177 HydrophobicContact CE-CG1 3.38Å; M131-V177 HydrophobicContact CG-CG1 4.16Å; M131-L178 PolarHBondContact N-O 3.23Å; M131-D179 HydrophobicContact CE-CB 3.43Å; M131-D179 VanDerWaalsContact CE-CB 3.43Å; M131-D179 HydrophobicContact SD-CB 4.26Å; M131-L180 WeakPolarHBondContact O-CB 3.39Å
132A96.4Very high90.9Very high6 Ų648.9 Ų48.95%0.0528%0.284CS..PPolyproline II helixtrans-70.4137.9176.800000112N89 C91 V159 N163 H181N89-A132 WeakPolarHBondContact ND2-CA 3.28Å; N89-A132 PolarHBondContact ND2-N 2.66Å; C91-A132 HydrophobicContact CB-CB 3.89Å; A132-V159 HydrophobicContact CB-CG1 3.92Å; A132-N163 PolarHBondContact N-OD1 3.38Å; A132-N163 PolarHBondContact O-ND2 3.35Å; A132-H181 WeakPolarHBondContact O-CB 3.29Å; A132-H181 PolarHBondContact O-ND1 3.29Å
133M96.1Very high89.6Confident6 Ų647.4 Ų47.43%0.0327%0.274CS..PPolyproline II helixtrans-61.8156.4174.5-68-179.784.500112I42 L135 L180 F184 W198 L206I42-M133 HydrophobicContact CD1-CB 4.37Å; I42-M133 HydrophobicContact CD1-SD 4.08Å; I42-M133 HydrophobicContact CG2-SD 3.63Å; M133-L135 PolarHBondContact O-N 3.02Å; M133-L180 HydrophobicContact CG-CB 3.92Å; M133-L180 HydrophobicContact CG-CD1 4.33Å; M133-F184 HydrophobicContact CE-CB 3.84Å; M133-F184 HydrophobicContact CE-CD1 3.22Å; M133-F184 HydrophobicContact CE-CD2 3.59Å; M133-F184 HydrophobicContact CE-CE1 3.51Å; M133-F184 HydrophobicContact CE-CE2 3.86Å; M133-F184 HydrophobicContact CE-CG 3.25Å; M133-F184 HydrophobicContact CE-CZ 3.81Å; M133-F184 HydrophobicContact CG-CD2 4.49Å; M133-W198 HydrophobicContact CB-CZ2 4.29Å; M133-W198 HydrophobicContact CE-CB 4.37Å; M133-W198 HydrophobicContact CE-CD2 3.38Å; M133-W198 HydrophobicContact CE-CE3 3.81Å; M133-W198 HydrophobicContact CE-CG 3.63Å; M133-W198 HydrophobicContact CE-CH2 4.37Å; M133-W198 HydrophobicContact CE-CZ2 4.02Å; M133-W198 HydrophobicContact CE-CZ3 4.26Å; M133-W198 HydrophobicContact SD-CD2 4.33Å; M133-W198 HydrophobicContact SD-CG 4.07Å; M133-L206 HydrophobicContact SD-CD1 4.04Å
134P96.1Very high88.4Confident9 Ų939.6 Ų39.66%0.05823%0.232CC..PPolyproline II helixtrans-72.2127.6-174.126.2-29.3000112.4F184 R191 W198P134-F184 HydrophobicContact CG-CB 4.11Å; P134-R191 WeakPolarHBondContact O-CD 3.48Å; P134-R191 PolarHBondContact O-NH1 3.28Å; P134-W198 HydrophobicContact CG-CH2 4.04Å; P134-W198 HydrophobicContact CG-CZ2 3.81Å; P134-W198 WeakPolarHBondContact O-CZ2 3.42Å
135L94.6Very high87.6Confident7 Ų739 Ų394%0.03722%0.22CC..PPolyproline II helixtrans-73.1155.3176.5-52.7-175.5000112.5L92 M133 I139 L155 R156 V159 G195 V196L92-L135 HydrophobicContact CD1-CD1 3.65Å; L92-L135 HydrophobicContact CD1-CD2 3.99Å; L92-L135 HydrophobicContact CD1-CG 4.43Å; L92-L135 HydrophobicContact CD2-CD2 4.09Å; M133-L135 PolarHBondContact O-N 3.02Å; L135-I139 HydrophobicContact CB-CD1 4.2Å; L135-I139 HydrophobicContact CD1-CD1 3.53Å; L135-I139 HydrophobicContact CG-CD1 4.45Å; L135-L155 HydrophobicContact CD1-CD2 4.47Å; L135-L155 HydrophobicContact CD1-CG 4.07Å; L135-R156 HydrophobicContact CB-CB 4.47Å; L135-R156 HydrophobicContact CB-CG 4.38Å; L135-V159 HydrophobicContact CD1-CB 4.39Å; L135-V159 HydrophobicContact CD1-CG2 3.89Å; L135-V159 HydrophobicContact CG-CG2 4.49Å; L135-G195 CarbonylContact C-O 3.6Å; L135-G195 WeakPolarHBondContact CA-O 3.48Å; L135-V196 HydrophobicContact CD2-CG2 4.44Å
136G91.7Very high86.8Confident5 Ų542.7 Ų42.75%0.05224%0.244CC..PPolyproline II helixtrans-74.1167.9168.800000112.8R138 G195G136-R138 VanDerWaalsContact C-N 3.28Å; G136-R138 PolarHBondContact O-N 2.87Å; G136-G195 PolarHBondContact N-O 3.24Å
137E86.7Confident85.9Confident176 Ų17648.6 Ų48.682%0.82227%0.271SS*.SBendtrans-68.6-28.6177-68.1-178.7176.200113.2
138R84Confident85.1Confident205 Ų20549.5 Ų49.577%0.77428%0.276SS*.SBendtrans-119.2123.5175.2-63.8-176.1-175.9178.31.2107.8G136 G195G136-R138 VanDerWaalsContact C-N 3.28Å; G136-R138 PolarHBondContact O-N 2.87Å; R138-G195 WeakPolarHBondContact O-CA 3.39Å
139I85.3Confident84.2Confident30 Ų3053.9 Ų53.915%0.15430%0.296CS..  trans-106.8125.8177.1-63.7165.3000107L135 F143 L155 D194 V196L135-I139 HydrophobicContact CB-CD1 4.2Å; L135-I139 HydrophobicContact CD1-CD1 3.53Å; L135-I139 HydrophobicContact CG-CD1 4.45Å; I139-F143 HydrophobicContact CG2-CB 4.45Å; I139-F143 HydrophobicContact CG2-CD2 4.43Å; I139-L155 HydrophobicContact CD1-CB 4.29Å; I139-L155 HydrophobicContact CD1-CD2 3.84Å; I139-L155 HydrophobicContact CD1-CG 4.21Å; I139-D194 VanDerWaalsContact CA-O 3.32Å; I139-D194 WeakPolarHBondContact CA-O 3.27Å; I139-V196 HydrophobicContact CG1-CG2 4.43Å; I139-V196 HydrophobicContact CG2-CG2 3.69Å
140T80.3Confident83.4Confident78 Ų7859.2 Ų59.248%0.47933%0.331SS..  trans-130.9150.5179.465.70000111D194T140-D194 PolarHBondContact N-O 3.38Å; T140-D194 VanDerWaalsContact OG1-CA 3.27Å; T140-D194 WeakPolarHBondContact OG1-CA 3.29Å; T140-D194 WeakPolarHBondContact OG1-CB 3.13Å
141G70.9Confident82.5Confident53 Ų5362.1 Ų62.155%0.54635%0.346SS..SBendtrans114.1-177.7-177.700000112.6F143G141-F143 PolarHBondContact O-N 2.92Å
142G67.4Low81.7Confident67 Ų6762.7 Ų62.769%0.69135%0.354SS*.THydrogen-bonded Turntrans-7425.5-175.900000115.4
143F67.1Low81Confident13 Ų1365.8 Ų65.86%0.05739%0.387CS..THydrogen-bonded Turntrans-74.4-34.4-177.1-69-74.5000113.2W93 S96 I139 G141 V196 H197W93-F143 HydrophobicContact CD2-CD1 4.48Å; W93-F143 AromaticContact CE2-CD1 3.93Å; W93-F143 HydrophobicContact CE3-CD1 4.46Å; W93-F143 AromaticContact CH2-CD1 3.53Å; W93-F143 HydrophobicContact CH2-CD1 3.53Å; W93-F143 HydrophobicContact CH2-CE1 4.07Å; W93-F143 HydrophobicContact CH2-CG 4.27Å; W93-F143 AromaticContact CZ2-CD1 3.47Å; W93-F143 HydrophobicContact CZ2-CD1 3.47Å; W93-F143 VanDerWaalsContact CZ2-CD1 3.47Å; W93-F143 AromaticContact CZ2-CE1 3.59Å; W93-F143 HydrophobicContact CZ2-CE1 3.59Å; W93-F143 HydrophobicContact CZ3-CB 4.4Å; W93-F143 HydrophobicContact CZ3-CD1 4.01Å; W93-F143 WeakPolarHBondContact CZ3-O 3.47Å; S96-F143 WeakPolarHBondContact CB-O 3.31Å; S96-F143 PolarHBondContact OG-O 3.29Å; I139-F143 HydrophobicContact CG2-CB 4.45Å; I139-F143 HydrophobicContact CG2-CD2 4.43Å; G141-F143 PolarHBondContact O-N 2.92Å; F143-V196 HydrophobicContact CD1-CG1 4.41Å; F143-V196 HydrophobicContact CD2-CB 4.5Å; F143-V196 HydrophobicContact CD2-CG2 3.97Å; F143-V196 HydrophobicContact CE1-CB 4.37Å; F143-V196 HydrophobicContact CE1-CG1 3.69Å; F143-V196 HydrophobicContact CE2-CB 3.84Å; F143-V196 HydrophobicContact CE2-CG1 4.07Å; F143-V196 HydrophobicContact CE2-CG2 3.81Å; F143-V196 HydrophobicContact CG-CG2 4.37Å; F143-V196 HydrophobicContact CZ-CB 3.75Å; F143-V196 HydrophobicContact CZ-CG1 3.47Å; F143-V196 VanDerWaalsContact CZ-CG1 3.47Å; F143-V196 HydrophobicContact CZ-CG2 4.07Å; F143-H197 AromaticContact CE2-CE1 3.92Å; F143-H197 AromaticContact CZ-CE1 3.35Å; F143-H197 WeakPolarHBondContact CZ-CE1 3.38Å; F143-H197 AromaticContact CZ-ND1 3.98Å; F143-H197 AromaticContact CZ-NE2 3.82Å
144L67.8Low80.7Confident11 Ų1167.5 Ų67.56%0.05840%0.399CS..SBendtrans-108.7131.7173.9-70.6163.4000108.2S96 L148 A152 L155S96-L144 WeakPolarHBondContact O-CD2 3.39Å; L144-L148 HydrophobicContact CD2-CB 4.29Å; L144-A152 VanDerWaalsContact CD1-CA 3.47Å; L144-A152 HydrophobicContact CD1-CB 3.27Å; L144-L155 HydrophobicContact CD1-CD2 4.38Å; L144-L155 HydrophobicContact CD2-CD2 4.31Å; L144-L155 HydrophobicContact CG-CD2 4.42Å
145L74.9Confident80.4Confident84 Ų8467.2 Ų67.244%0.4440%0.397SS..  trans-58.8145.3167.4-64.1173.7000108.7E147 L148 Q149L145-E147 WeakPolarHBondContact CB-OE2 3.22Å; L145-E147 PolarHBondContact O-N 2.96Å; L145-L148 HydrophobicContact CB-CB 4.42Å; L145-L148 HydrophobicContact CB-CD1 4.21Å; L145-L148 HydrophobicContact CB-CG 4.12Å; L145-L148 HydrophobicContact CD1-CD1 4.15Å; L145-L148 HydrophobicContact CG-CD1 4.44Å; L145-L148 WeakPolarHBondContact O-CA 3.45Å; L145-L148 PolarHBondContact O-N 2.95Å; L145-Q149 PolarHBondContact O-N 2.84Å
146P78.9Confident80.3Confident97 Ų9772.8 Ų72.863%0.6342%0.417SS*.G310 helixtrans-48.6-36.7-179.8-29.336.1000113.7L148 Q149P146-L148 VanDerWaalsContact C-N 3.28Å; P146-L148 PolarHBondContact O-N 3.16Å; P146-Q149 VanDerWaalsContact O-CG 3.28Å; P146-Q149 WeakPolarHBondContact O-CG 3.4Å; P146-Q149 PolarHBondContact O-N 3.1Å
147E79.1Confident80.4Confident147 Ų14781.9 Ų81.969%0.68745%0.45SS*.G310 helixtrans-72.4-20.3179.8-54.575-161.300113.1L145L145-E147 WeakPolarHBondContact CB-OE2 3.22Å; L145-E147 PolarHBondContact O-N 2.96Å
148L79.6Confident80.8Confident25 Ų2575.1 Ų75.113%0.13142%0.42CS..G310 helixtrans-101.7-0.2-178.6-58-175.9000113.1S96 L144 L145 P146 P150 L151S96-L148 WeakPolarHBondContact O-CD1 3.23Å; L144-L148 HydrophobicContact CD2-CB 4.29Å; L145-L148 HydrophobicContact CB-CB 4.42Å; L145-L148 HydrophobicContact CB-CD1 4.21Å; L145-L148 HydrophobicContact CB-CG 4.12Å; L145-L148 HydrophobicContact CD1-CD1 4.15Å; L145-L148 HydrophobicContact CG-CD1 4.44Å; L145-L148 WeakPolarHBondContact O-CA 3.45Å; L145-L148 PolarHBondContact O-N 2.95Å; P146-L148 VanDerWaalsContact C-N 3.28Å; P146-L148 PolarHBondContact O-N 3.16Å; L148-P150 VanDerWaalsContact C-N 3.27Å; L148-L151 HydrophobicContact CD2-CD1 4.11Å; L148-L151 WeakPolarHBondContact O-CB 3.4Å; L148-L151 PolarHBondContact O-N 3.48Å
149Q79.1Confident81.3Confident93 Ų9365.3 Ų65.344%0.43538%0.383SS..G310 helixtrans-51.1-35.9176.1-68.9-69-3.100114.6L145 P146 L151 A152L145-Q149 PolarHBondContact O-N 2.84Å; P146-Q149 VanDerWaalsContact O-CG 3.28Å; P146-Q149 WeakPolarHBondContact O-CG 3.4Å; P146-Q149 PolarHBondContact O-N 3.1Å; Q149-L151 PolarHBondContact O-N 2.88Å; Q149-L151 VanDerWaalsContact O-N 3.16Å; Q149-A152 WeakPolarHBondContact O-CB 3.33Å; Q149-A152 PolarHBondContact O-N 3.47Å
150P81.2Confident81.9Confident113 Ų11367.3 Ų67.373%0.73440%0.396SS*.G310 helixtrans-60.5-23.1175-25.636.4000114.4L148 A152L148-P150 VanDerWaalsContact C-N 3.27Å; P150-A152 VanDerWaalsContact C-N 3.34Å
151L77.9Confident82.7Confident61 Ų6167.8 Ų67.832%0.31939%0.393SS..G310 helixtrans-84.6-7.2178.4-55.6178000112.8L148 Q149 G153 S154 L155L148-L151 HydrophobicContact CD2-CD1 4.11Å; L148-L151 WeakPolarHBondContact O-CB 3.4Å; L148-L151 PolarHBondContact O-N 3.48Å; Q149-L151 PolarHBondContact O-N 2.88Å; Q149-L151 VanDerWaalsContact O-N 3.16Å; L151-G153 PolarHBondContact O-N 3.47Å; L151-G153 VanDerWaalsContact O-N 3.09Å; L151-S154 PolarHBondContact O-N 2.89Å; L151-S154 PolarHBondContact O-OG 3.17Å; L151-S154 VanDerWaalsContact O-OG 3.12Å; L151-L155 PolarHBondContact O-N 3.18Å
152A79.9Confident84Confident31 Ų3165.2 Ų65.226%0.25637%0.367SS..G310 helixtrans-55.3-32.7179.500000113.4L144 Q149 P150 S154 L155L144-A152 VanDerWaalsContact CD1-CA 3.47Å; L144-A152 HydrophobicContact CD1-CB 3.27Å; Q149-A152 WeakPolarHBondContact O-CB 3.33Å; Q149-A152 PolarHBondContact O-N 3.47Å; P150-A152 VanDerWaalsContact C-N 3.34Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 3.02Å; A152-L155 PolarHBondContact O-N 2.92Å
153G83.3Confident85.4Confident71 Ų7162.3 Ų62.373%0.73234%0.335SS*.G310 helixtrans-69.4-24.4-175.900000114.6L151L151-G153 PolarHBondContact O-N 3.47Å; L151-G153 VanDerWaalsContact O-N 3.09Å
154S89Confident86.9Confident41 Ų4169 Ų6929%0.28736%0.364SS..THydrogen-bonded Turntrans-94.5-23.1176.762.50000112.9L151 A152 R156 R157 D158L151-S154 PolarHBondContact O-N 2.89Å; L151-S154 PolarHBondContact O-OG 3.17Å; L151-S154 VanDerWaalsContact O-OG 3.12Å; A152-S154 VanDerWaalsContact C-N 3.32Å; A152-S154 PolarHBondContact O-N 3.02Å; S154-R156 PolarHBondContact O-N 3.25Å; S154-R157 WeakPolarHBondContact O-CA 3.36Å; S154-R157 WeakPolarHBondContact O-CB 3.35Å; S154-R157 PolarHBondContact O-N 2.85Å; S154-D158 VanDerWaalsContact C-OD2 3.25Å; S154-D158 VanDerWaalsContact CB-OD2 3.3Å; S154-D158 WeakPolarHBondContact CB-OD2 3.46Å; S154-D158 VanDerWaalsContact O-CG 3.31Å; S154-D158 PolarHBondContact O-N 2.87Å; S154-D158 PolarHBondContact OG-OD2 2.81Å
155L90.1Very high88.4Confident3 Ų370.5 Ų70.52%0.01637%0.37CS..Hα-helixtrans-51-37.1-168-174.558.2000114.7L92 L95 L135 I139 L144 L151 A152 R157 D158 V159L92-L155 HydrophobicContact CD1-CD1 4.37Å; L92-L155 HydrophobicContact CD1-CD2 4.02Å; L92-L155 HydrophobicContact CD1-CG 4.25Å; L95-L155 HydrophobicContact CB-CD1 3.98Å; L135-L155 HydrophobicContact CD1-CD2 4.47Å; L135-L155 HydrophobicContact CD1-CG 4.07Å; I139-L155 HydrophobicContact CD1-CB 4.29Å; I139-L155 HydrophobicContact CD1-CD2 3.84Å; I139-L155 HydrophobicContact CD1-CG 4.21Å; L144-L155 HydrophobicContact CD1-CD2 4.38Å; L144-L155 HydrophobicContact CD2-CD2 4.31Å; L144-L155 HydrophobicContact CG-CD2 4.42Å; L151-L155 PolarHBondContact O-N 3.18Å; A152-L155 PolarHBondContact O-N 2.92Å; L155-R157 PolarHBondContact O-N 3.21Å; L155-D158 PolarHBondContact N-OD2 3.46Å; L155-D158 PolarHBondContact O-N 3.41Å; L155-V159 HydrophobicContact CD1-CG2 4.43Å; L155-V159 WeakPolarHBondContact O-CG2 3.47Å; L155-V159 PolarHBondContact O-N 3.33Å
156R92.3Very high89.5Confident124 Ų12466.5 Ų66.547%0.46835%0.349SS..Hα-helixtrans-63.6-39.1175.5-179.8177.6166.1-161.7-2.8112.7L135 S154 V160L135-R156 HydrophobicContact CB-CB 4.47Å; L135-R156 HydrophobicContact CB-CG 4.38Å; S154-R156 PolarHBondContact O-N 3.25Å; R156-V160 WeakPolarHBondContact O-CG2 3.44Å; R156-V160 PolarHBondContact O-N 2.88Å
157R93.5Very high90.4Very high197 Ų19762.9 Ų62.974%0.74333%0.327SS*.Hα-helixtrans-72.6-42175.2-56-176-158.4-171.65.1110.3S154 L155 V159 V160 E161S154-R157 WeakPolarHBondContact O-CA 3.36Å; S154-R157 WeakPolarHBondContact O-CB 3.35Å; S154-R157 PolarHBondContact O-N 2.85Å; L155-R157 PolarHBondContact O-N 3.21Å; R157-V159 VanDerWaalsContact C-N 3.27Å; R157-V159 PolarHBondContact O-N 2.72Å; R157-V160 WeakPolarHBondContact O-CB 3.19Å; R157-V160 PolarHBondContact O-N 3.4Å; R157-E161 PolarHBondContact O-N 2.85Å
158D94.4Very high91.3Very high33 Ų3359.1 Ų59.118%0.17631%0.314CS..Hα-helixtrans-59.8-40.4179.4-53.9-21.3000110.3L95 M103 S154 L155 V160 E161 G162L95-D158 VanDerWaalsContact CD1-C 3.49Å; L95-D158 HydrophobicContact CD1-CB 4.19Å; L95-D158 VanDerWaalsContact CD1-O 3.27Å; L95-D158 WeakPolarHBondContact CD1-O 3.28Å; M103-D158 HydrophobicContact CE-CB 4.38Å; M103-D158 VanDerWaalsContact CE-O 3.28Å; M103-D158 WeakPolarHBondContact CE-O 3.29Å; S154-D158 VanDerWaalsContact C-OD2 3.25Å; S154-D158 VanDerWaalsContact CB-OD2 3.3Å; S154-D158 WeakPolarHBondContact CB-OD2 3.46Å; S154-D158 VanDerWaalsContact O-CG 3.31Å; S154-D158 PolarHBondContact O-N 2.87Å; S154-D158 PolarHBondContact OG-OD2 2.81Å; L155-D158 PolarHBondContact N-OD2 3.46Å; L155-D158 PolarHBondContact O-N 3.41Å; D158-V160 PolarHBondContact O-N 3.01Å; D158-E161 PolarHBondContact O-N 2.85Å; D158-G162 PolarHBondContact O-N 3.38Å
159V95.6Very high92.1Very high0 Ų058.7 Ų58.70%031%0.312CS..Hα-helixtrans-63.9-37174.2163.30000112.8L92 L95 A132 L135 L155 R157 N163L92-V159 HydrophobicContact CD1-CG2 4.1Å; L95-V159 HydrophobicContact CD1-CG2 4.06Å; A132-V159 HydrophobicContact CB-CG1 3.92Å; L135-V159 HydrophobicContact CD1-CB 4.39Å; L135-V159 HydrophobicContact CD1-CG2 3.89Å; L135-V159 HydrophobicContact CG-CG2 4.49Å; L155-V159 HydrophobicContact CD1-CG2 4.43Å; L155-V159 WeakPolarHBondContact O-CG2 3.47Å; L155-V159 PolarHBondContact O-N 3.33Å; R157-V159 VanDerWaalsContact C-N 3.27Å; R157-V159 PolarHBondContact O-N 2.72Å; V159-N163 VanDerWaalsContact O-CB 3.24Å; V159-N163 WeakPolarHBondContact O-CB 3.32Å; V159-N163 PolarHBondContact O-N 2.79Å
160V97.1Very high93Very high71 Ų7154.2 Ų54.243%0.4329%0.291SS..Hα-helixtrans-66-43.5175.6173.70000110.3R156 R157 D158 F164R156-V160 WeakPolarHBondContact O-CG2 3.44Å; R156-V160 PolarHBondContact O-N 2.88Å; R157-V160 WeakPolarHBondContact O-CB 3.19Å; R157-V160 PolarHBondContact O-N 3.4Å; D158-V160 PolarHBondContact O-N 3.01Å; V160-F164 PolarHBondContact O-N 3.02Å
161E97.6Very high93.7Very high88 Ų8851 Ų5141%0.41128%0.279SS..Hα-helixtrans-65.1-43.6176.1-177.2175.417000112M103 R107 R157 D158 F164 Y165M103-E161 HydrophobicContact CE-CB 3.84Å; M103-E161 HydrophobicContact CE-CG 3.82Å; M103-E161 HydrophobicContact SD-CG 4.27Å; R107-E161 IonicContact CZ-OE1 3.85Å; R107-E161 IonicContact NH2-OE1 2.7Å; R107-E161 PolarHBondContact NH2-OE1 2.79Å; R157-E161 PolarHBondContact O-N 2.85Å; D158-E161 PolarHBondContact O-N 2.85Å; E161-F164 PolarHBondContact O-N 3.2Å; E161-Y165 WeakPolarHBondContact O-CB 3.48Å; E161-Y165 PolarHBondContact O-N 3.49Å
162G97.7Very high94.7Very high0 Ų054 Ų540%030%0.295CS..Hα-helixtrans-65-39.3177.400000112.5D158 Y165 S166D158-G162 PolarHBondContact O-N 3.38Å; G162-Y165 PolarHBondContact O-N 3.39Å; G162-S166 VanDerWaalsContact O-CB 3.3Å; G162-S166 WeakPolarHBondContact O-CB 3.46Å; G162-S166 PolarHBondContact O-N 3.02Å; G162-S166 PolarHBondContact O-OG 3.11Å
163N98.3Very high95.5Very high5 Ų554.2 Ų54.23%0.02729%0.29CS..Hα-helixtrans-61.9-46.4172-81.1-11.3000111.7M131 A132 V159 Y165 S166 A167 H181M131-N163 HydrophobicContact CB-CB 4.29Å; M131-N163 HydrophobicContact CG-CB 4.26Å; M131-N163 HydrophobicContact SD-CB 3.86Å; A132-N163 PolarHBondContact N-OD1 3.38Å; A132-N163 PolarHBondContact O-ND2 3.35Å; V159-N163 VanDerWaalsContact O-CB 3.24Å; V159-N163 WeakPolarHBondContact O-CB 3.32Å; V159-N163 PolarHBondContact O-N 2.79Å; N163-Y165 PolarHBondContact O-N 2.89Å; N163-S166 PolarHBondContact O-N 3Å; N163-S166 PolarHBondContact O-OG 2.78Å; N163-A167 WeakPolarHBondContact O-CB 3.38Å; N163-A167 PolarHBondContact O-N 3.48Å; N163-H181 PolarHBondContact ND2-ND1 3.06Å
164F98.1Very high96.1Very high153 Ų15355.9 Ų55.967%0.67129%0.29SS*.Hα-helixtrans-60.3-46177.6177.5-97.4000111.9V160 E161 T168V160-F164 PolarHBondContact O-N 3.02Å; E161-F164 PolarHBondContact O-N 3.2Å; F164-T168 PolarHBondContact O-N 3.49Å; F164-T168 VanDerWaalsContact O-N 3.11Å; F164-T168 PolarHBondContact O-OG1 3.26Å
165Y98.4Very high96.5Very high44 Ų4455.2 Ų55.217%0.17328%0.282CS..Hα-helixtrans-61.1-53.9177.6-178.8-93.7000111.8R107 L110 E111 E161 G162 N163 A167 T168 L169R107-Y165 HydrophobicContact CB-CD1 4.44Å; R107-Y165 HydrophobicContact CB-CE1 3.78Å; R107-Y165 HydrophobicContact CB-CE2 4.3Å; R107-Y165 HydrophobicContact CG-CD1 3.75Å; R107-Y165 HydrophobicContact CG-CD2 3.94Å; R107-Y165 HydrophobicContact CG-CE1 3.55Å; R107-Y165 HydrophobicContact CG-CE2 3.74Å; R107-Y165 HydrophobicContact CG-CG 3.93Å; L110-Y165 HydrophobicContact CD2-CD1 4.01Å; L110-Y165 HydrophobicContact CD2-CE1 4.12Å; E111-Y165 PolarHBondContact OE1-OH 2.99Å; E161-Y165 WeakPolarHBondContact O-CB 3.48Å; E161-Y165 PolarHBondContact O-N 3.49Å; G162-Y165 PolarHBondContact O-N 3.39Å; N163-Y165 PolarHBondContact O-N 2.89Å; Y165-A167 VanDerWaalsContact C-N 3.3Å; Y165-A167 PolarHBondContact O-N 3.42Å; Y165-T168 WeakPolarHBondContact O-CB 3.43Å; Y165-T168 PolarHBondContact O-N 2.98Å; Y165-T168 VanDerWaalsContact O-N 3.12Å; Y165-L169 HydrophobicContact CE1-CB 4.5Å; Y165-L169 HydrophobicContact CE1-CD2 4.02Å; Y165-L169 PolarHBondContact O-N 3.34Å
166S97.6Very high96.8Very high0 Ų057.4 Ų57.40%029%0.294CS..Hα-helixtrans-63.8-34.9-176.660.20000113Y106 W129 G162 N163 A170Y106-S166 WeakPolarHBondContact OH-CB 3.28Å; W129-S166 VanDerWaalsContact NE1-CB 3.32Å; W129-S166 PolarHBondContact NE1-OG 3.06Å; W129-S166 VanDerWaalsContact NE1-OG 3.1Å; G162-S166 VanDerWaalsContact O-CB 3.3Å; G162-S166 WeakPolarHBondContact O-CB 3.46Å; G162-S166 PolarHBondContact O-N 3.02Å; G162-S166 PolarHBondContact O-OG 3.11Å; N163-S166 PolarHBondContact O-N 3Å; N163-S166 PolarHBondContact O-OG 2.78Å; S166-A170 VanDerWaalsContact O-CB 3.26Å; S166-A170 WeakPolarHBondContact O-CB 3.28Å; S166-A170 PolarHBondContact O-N 2.88Å
167A97.9Very high97.1Very high21 Ų2153.7 Ų53.717%0.17429%0.285CS..Hα-helixtrans-65.9-40.6173.500000112.7M131 N163 Y165 A170 G171 V177M131-A167 HydrophobicContact CE-CB 3.57Å; M131-A167 HydrophobicContact CG-CB 4.47Å; M131-A167 HydrophobicContact SD-CB 3.98Å; N163-A167 WeakPolarHBondContact O-CB 3.38Å; N163-A167 PolarHBondContact O-N 3.48Å; Y165-A167 VanDerWaalsContact C-N 3.3Å; Y165-A167 PolarHBondContact O-N 3.42Å; A167-A170 PolarHBondContact O-N 3.06Å; A167-G171 PolarHBondContact O-N 2.69Å; A167-G171 VanDerWaalsContact O-N 3.12Å; A167-V177 HydrophobicContact CB-CG1 4.07Å
168T98Very high97.3Very high67 Ų6744.8 Ų44.841%0.41125%0.251SS..Hα-helixtrans-64.3-49.9176.8-55.70000110F164 Y165 A170 G171 D172F164-T168 PolarHBondContact O-N 3.49Å; F164-T168 VanDerWaalsContact O-N 3.11Å; F164-T168 PolarHBondContact O-OG1 3.26Å; Y165-T168 WeakPolarHBondContact O-CB 3.43Å; Y165-T168 PolarHBondContact O-N 2.98Å; Y165-T168 VanDerWaalsContact O-N 3.12Å; T168-A170 VanDerWaalsContact C-N 3.28Å; T168-A170 PolarHBondContact O-N 2.85Å; T168-G171 WeakPolarHBondContact O-CA 3.27Å; T168-G171 PolarHBondContact O-N 2.81Å; T168-G171 VanDerWaalsContact O-N 3.08Å; T168-D172 PolarHBondContact O-N 3.01Å; T168-D172 VanDerWaalsContact O-N 3.08Å
169L98.1Very high97.4Very high16 Ų1645.7 Ų45.78%0.08426%0.257CS..Hα-helixtrans-61.1-37.6178.2-17466.1000111.7L110 E111 F114 Y165 G171 D172 H173L110-L169 HydrophobicContact CB-CD2 4.23Å; L110-L169 HydrophobicContact CD2-CD2 3.87Å; L110-L169 HydrophobicContact CG-CD2 3.81Å; E111-L169 HydrophobicContact CG-CD1 4.31Å; E111-L169 HydrophobicContact CG-CD2 4.07Å; F114-L169 HydrophobicContact CB-CD2 4.49Å; F114-L169 HydrophobicContact CD2-CB 4.28Å; F114-L169 HydrophobicContact CD2-CD2 3.79Å; F114-L169 HydrophobicContact CD2-CG 3.59Å; F114-L169 HydrophobicContact CE2-CB 4.15Å; F114-L169 HydrophobicContact CE2-CD2 4.09Å; F114-L169 HydrophobicContact CE2-CG 3.95Å; F114-L169 HydrophobicContact CG-CD2 4.1Å; F114-L169 HydrophobicContact CG-CG 4.32Å; Y165-L169 HydrophobicContact CE1-CB 4.5Å; Y165-L169 HydrophobicContact CE1-CD2 4.02Å; Y165-L169 PolarHBondContact O-N 3.34Å; L169-G171 VanDerWaalsContact C-N 3.29Å; L169-G171 PolarHBondContact O-N 2.7Å; L169-D172 WeakPolarHBondContact O-CB 3.18Å; L169-D172 PolarHBondContact O-N 3.39Å; L169-D172 VanDerWaalsContact O-N 3.17Å; L169-H173 PolarHBondContact O-CD2 3.09Å; L169-H173 VanDerWaalsContact O-CD2 3.27Å; L169-H173 PolarHBondContact O-N 3.03Å; L169-H173 VanDerWaalsContact O-N 3.16Å
170A97.4Very high97.5Very high0 Ų045.8 Ų45.80%026%0.257CS..Hα-helixtrans-62.5-40.3176.500000111F114 W129 S166 A167 T168 D172 H173 C174 F175 V177F114-A170 VanDerWaalsContact CE2-CA 3.47Å; F114-A170 HydrophobicContact CE2-CB 3.76Å; F114-A170 HydrophobicContact CZ-CB 4.38Å; W129-A170 HydrophobicContact CB-CB 4.21Å; W129-A170 HydrophobicContact CG-CB 4.37Å; S166-A170 VanDerWaalsContact O-CB 3.26Å; S166-A170 WeakPolarHBondContact O-CB 3.28Å; S166-A170 PolarHBondContact O-N 2.88Å; A167-A170 PolarHBondContact O-N 3.06Å; T168-A170 VanDerWaalsContact C-N 3.28Å; T168-A170 PolarHBondContact O-N 2.85Å; A170-D172 PolarHBondContact O-N 3.29Å; A170-H173 CarbonylContact O-C 3.57Å; A170-H173 PolarHBondContact O-N 3.48Å; A170-C174 PolarHBondContact O-N 2.77Å; A170-C174 VanDerWaalsContact O-N 3.09Å; A170-F175 HydrophobicContact CB-CB 4.13Å; A170-F175 PolarHBondContact O-N 2.96Å; A170-V177 HydrophobicContact CB-CG2 3.41Å; A170-V177 VanDerWaalsContact CB-CG2 3.41Å
171G96.1Very high97.5Very high46 Ų4644.3 Ų44.347%0.47425%0.245SC..Hα-helixtrans-59.8-42.4172.600000113.2A167 T168 L169 H173 C174A167-G171 PolarHBondContact O-N 2.69Å; A167-G171 VanDerWaalsContact O-N 3.12Å; T168-G171 WeakPolarHBondContact O-CA 3.27Å; T168-G171 PolarHBondContact O-N 2.81Å; T168-G171 VanDerWaalsContact O-N 3.08Å; L169-G171 VanDerWaalsContact C-N 3.29Å; L169-G171 PolarHBondContact O-N 2.7Å; G171-H173 PolarHBondContact O-N 2.98Å; G171-C174 PolarHBondContact O-N 3.46Å
172D97.6Very high97.4Very high122 Ų12245 Ų4565%0.65225%0.247SC*.Hα-helixtrans-62.6-30.8177.8-66.1-25.4000112.3T168 L169 A170T168-D172 PolarHBondContact O-N 3.01Å; T168-D172 VanDerWaalsContact O-N 3.08Å; L169-D172 WeakPolarHBondContact O-CB 3.18Å; L169-D172 PolarHBondContact O-N 3.39Å; L169-D172 VanDerWaalsContact O-N 3.17Å; A170-D172 PolarHBondContact O-N 3.29Å
173H96.9Very high97.3Very high36 Ų3648.5 Ų48.517%0.16726%0.263CS..THydrogen-bonded Turntrans-92.66.5175.8-74.3-91.3000113.7F114 D118 L169 A170 G171 F175F114-H173 HydrophobicContact CD2-CB 4.39Å; F114-H173 AromaticContact CD2-CD2 3.86Å; D118-H173 IonicContact OD1-ND1 3.38Å; D118-H173 IonicContact OD2-CE1 3.95Å; D118-H173 PolarHBondContact OD2-CE1 3.01Å; D118-H173 IonicContact OD2-CG 2.66Å; D118-H173 IonicContact OD2-ND1 3.01Å; D118-H173 PolarHBondContact OD2-ND1 3.34Å; L169-H173 PolarHBondContact O-CD2 3.09Å; L169-H173 VanDerWaalsContact O-CD2 3.27Å; L169-H173 PolarHBondContact O-N 3.03Å; L169-H173 VanDerWaalsContact O-N 3.16Å; A170-H173 CarbonylContact O-C 3.57Å; A170-H173 PolarHBondContact O-N 3.48Å; G171-H173 PolarHBondContact O-N 2.98Å; H173-F175 HydrophobicContact CB-CD1 4.36Å; H173-F175 HydrophobicContact CB-CD2 3.8Å; H173-F175 HydrophobicContact CB-CE1 4.25Å; H173-F175 HydrophobicContact CB-CE2 3.7Å; H173-F175 HydrophobicContact CB-CG 4.14Å; H173-F175 HydrophobicContact CB-CZ 3.92Å; H173-F175 WeakPolarHBondContact O-CD1 3.36Å; H173-F175 PolarHBondContact O-N 3.42Å
174C96.1Very high97.3Very high107 Ų10748.3 Ų48.372%0.72326%0.262SS*.THydrogen-bonded Turntrans56.825-176-560000114.8A170 G171A170-C174 PolarHBondContact O-N 2.77Å; A170-C174 VanDerWaalsContact O-N 3.09Å; G171-C174 PolarHBondContact O-N 3.46Å
175F97.1Very high97.1Very high26 Ų2646 Ų4611%0.11425%0.249CC..  trans-80.3144.1172-60.2-25.3000110.8F114 M117 D118 L127 A170 H173F114-F175 HydrophobicContact CB-CE2 4.04Å; F114-F175 HydrophobicContact CD1-CE2 4.38Å; F114-F175 AromaticContact CD2-CD2 3.88Å; F114-F175 HydrophobicContact CD2-CD2 3.88Å; F114-F175 AromaticContact CD2-CE2 3.88Å; F114-F175 HydrophobicContact CD2-CE2 3.88Å; F114-F175 HydrophobicContact CE2-CD2 4.09Å; F114-F175 HydrophobicContact CE2-CE2 4.49Å; F114-F175 HydrophobicContact CG-CD2 4.27Å; F114-F175 AromaticContact CG-CE2 3.85Å; F114-F175 HydrophobicContact CG-CE2 3.85Å; M117-F175 HydrophobicContact CB-CE2 4.15Å; M117-F175 HydrophobicContact CB-CZ 3.78Å; D118-F175 VanDerWaalsContact OD1-CE1 3.25Å; D118-F175 WeakPolarHBondContact OD1-CE1 3.28Å; D118-F175 WeakPolarHBondContact OD1-CZ 3.22Å; L127-F175 HydrophobicContact CB-CD1 4.09Å; L127-F175 HydrophobicContact CB-CG 4.35Å; L127-F175 HydrophobicContact CD1-CD2 4.44Å; L127-F175 HydrophobicContact CD1-CE1 4.49Å; L127-F175 HydrophobicContact CD1-CE2 4.38Å; L127-F175 HydrophobicContact CD1-CZ 4.41Å; L127-F175 HydrophobicContact CD2-CB 3.71Å; L127-F175 HydrophobicContact CD2-CD1 4.27Å; L127-F175 HydrophobicContact CD2-CD2 3.82Å; L127-F175 HydrophobicContact CD2-CG 3.67Å; L127-F175 HydrophobicContact CG-CG 4.38Å; A170-F175 HydrophobicContact CB-CB 4.13Å; A170-F175 PolarHBondContact O-N 2.96Å; H173-F175 HydrophobicContact CB-CD1 4.36Å; H173-F175 HydrophobicContact CB-CD2 3.8Å; H173-F175 HydrophobicContact CB-CE1 4.25Å; H173-F175 HydrophobicContact CB-CE2 3.7Å; H173-F175 HydrophobicContact CB-CG 4.14Å; H173-F175 HydrophobicContact CB-CZ 3.92Å; H173-F175 WeakPolarHBondContact O-CD1 3.36Å; H173-F175 PolarHBondContact O-N 3.42Å
176D98Very high96.9Very high50 Ų5050.9 Ų50.927%0.26727%0.273SS..EExtended strand (participates in β ladder)trans-71.7144.2175.9-84.57.6000110.3L126 L127 V128 W129 H213L126-D176 HydrophobicContact CD1-CB 4.42Å; L127-D176 WeakPolarHBondContact O-CB 3.33Å; L127-D176 PolarHBondContact O-N 2.9Å; V128-D176 CarbonylContact C-O 3.51Å; V128-D176 HydrophobicContact CG2-CB 4.37Å; W129-D176 PolarHBondContact N-O 2.81Å; D176-H213 VanDerWaalsContact CB-NE2 3.33Å; D176-H213 WeakPolarHBondContact CB-NE2 3.3Å; D176-H213 IonicContact OD2-CD2 3.71Å; D176-H213 IonicContact OD2-CE1 3.6Å; D176-H213 IonicContact OD2-NE2 2.72Å; D176-H213 PolarHBondContact OD2-NE2 2.91Å
177V97.9Very high96.7Very high46 Ų4651.7 Ų51.728%0.27928%0.28SS..EExtended strand (participates in β ladder)trans-122.4125.7-179.1-179.90000110.3W129 M131 A167 A170W129-V177 HydrophobicContact CB-CG2 4.48Å; W129-V177 WeakPolarHBondContact O-CA 3.46Å; M131-V177 HydrophobicContact CE-CG1 3.38Å; M131-V177 HydrophobicContact CG-CG1 4.16Å; A167-V177 HydrophobicContact CB-CG1 4.07Å; A170-V177 HydrophobicContact CB-CG2 3.41Å; A170-V177 VanDerWaalsContact CB-CG2 3.41Å
178L97.4Very high96.4Very high9 Ų954.2 Ų54.25%0.04729%0.293CS..EExtended strand (participates in β ladder)trans-107.6110170.7-176.462.5000110.1V128 W129 N130 M131 L180 L209 L210V128-L178 HydrophobicContact CG1-CB 4.03Å; W129-L178 PolarHBondContact O-N 3.12Å; N130-L178 WeakPolarHBondContact OD1-CB 3.37Å; M131-L178 PolarHBondContact N-O 3.23Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 HydrophobicContact CD2-CD2 3.71Å; L178-L180 HydrophobicContact CG-CD2 3.79Å; L178-L180 HydrophobicContact CG-CG 4.39Å; L178-L180 PolarHBondContact O-N 3.09Å; L178-L209 HydrophobicContact CD1-CB 4.47Å; L178-L209 HydrophobicContact CD2-CB 4.33Å; L178-L210 HydrophobicContact CD2-CB 4.1Å; L178-L210 HydrophobicContact CD2-CD1 4.2Å
179D97.3Very high96.3Very high53 Ų5357.4 Ų57.428%0.28330%0.303SS..  trans-79.376.1-177.7-167.1-14.6000112.4M131 H181 F182 H183M131-D179 HydrophobicContact CE-CB 3.43Å; M131-D179 VanDerWaalsContact CE-CB 3.43Å; M131-D179 HydrophobicContact SD-CB 4.26Å; D179-H181 PolarHBondContact O-N 3.09Å; D179-H181 WeakPolarHBondContact OD1-CA 3.41Å; D179-H181 VanDerWaalsContact OD1-CB 3.28Å; D179-H181 WeakPolarHBondContact OD1-CB 3.47Å; D179-H181 PolarHBondContact OD1-N 3.16Å; D179-F182 HydrophobicContact CB-CB 4.01Å; D179-F182 PolarHBondContact O-N 3.37Å; D179-F182 PolarHBondContact OD1-N 2.98Å; D179-F182 VanDerWaalsContact OD2-CB 3.32Å; D179-F182 WeakPolarHBondContact OD2-CB 3.42Å; D179-H183 PolarHBondContact O-CD2 2.76Å; D179-H183 PolarHBondContact O-N 3.49Å
180L96.8Very high96.1Very high1 Ų159.1 Ų59.11%0.00531%0.311CS..Hα-helixtrans-63.3-23.4174.6-55.6-177.7000112.3N130 M131 M133 L178 F184 L206N130-L180 HydrophobicContact CB-CD1 3.84Å; N130-L180 HydrophobicContact CB-CG 4.38Å; M131-L180 WeakPolarHBondContact O-CB 3.39Å; M133-L180 HydrophobicContact CG-CB 3.92Å; M133-L180 HydrophobicContact CG-CD1 4.33Å; L178-L180 VanDerWaalsContact C-N 3.32Å; L178-L180 HydrophobicContact CD2-CD2 3.71Å; L178-L180 HydrophobicContact CG-CD2 3.79Å; L178-L180 HydrophobicContact CG-CG 4.39Å; L178-L180 PolarHBondContact O-N 3.09Å; L180-F184 HydrophobicContact CB-CD2 4.39Å; L180-F184 HydrophobicContact CD2-CE2 4.2Å; L180-F184 WeakPolarHBondContact O-CB 3.39Å; L180-F184 VanDerWaalsContact O-CD2 3.31Å; L180-F184 WeakPolarHBondContact O-CD2 3.44Å; L180-F184 PolarHBondContact O-N 2.98Å; L180-L206 HydrophobicContact CD1-CD1 3.75Å; L180-L206 HydrophobicContact CD1-CD2 4.28Å; L180-L206 HydrophobicContact CD1-CG 3.96Å; L180-L206 HydrophobicContact CD2-CD1 4.48Å; L180-L206 HydrophobicContact CD2-CD2 4.28Å; L180-L206 HydrophobicContact CD2-CG 3.86Å
181H97.1Very high96Very high40 Ų4061.3 Ų61.319%0.18532%0.319CS..Hα-helixtrans-64.4-49.3175.7-159.399.3000110.2A132 N163 D179 R185A132-H181 WeakPolarHBondContact O-CB 3.29Å; A132-H181 PolarHBondContact O-ND1 3.29Å; N163-H181 PolarHBondContact ND2-ND1 3.06Å; D179-H181 PolarHBondContact O-N 3.09Å; D179-H181 WeakPolarHBondContact OD1-CA 3.41Å; D179-H181 VanDerWaalsContact OD1-CB 3.28Å; D179-H181 WeakPolarHBondContact OD1-CB 3.47Å; D179-H181 PolarHBondContact OD1-N 3.16Å; H181-R185 WeakPolarHBondContact O-CB 3.23Å; H181-R185 PolarHBondContact O-N 3.42Å; H181-R185 VanDerWaalsContact O-N 3.15Å
182F96.6Very high95.8Very high102 Ų10263.7 Ų63.745%0.44732%0.318SS..Hα-helixtrans-59.7-55.4175.1176.8-96000110.6D179 F184 R185D179-F182 HydrophobicContact CB-CB 4.01Å; D179-F182 PolarHBondContact O-N 3.37Å; D179-F182 PolarHBondContact OD1-N 2.98Å; D179-F182 VanDerWaalsContact OD2-CB 3.32Å; D179-F182 WeakPolarHBondContact OD2-CB 3.42Å; F182-F184 PolarHBondContact O-N 2.9Å; F182-F184 VanDerWaalsContact O-N 3.12Å; F182-R185 VanDerWaalsContact CD1-NH1 3.3Å; F182-R185 VanDerWaalsContact CE1-NH1 3.28Å; F182-R185 VanDerWaalsContact CE2-NH2 3.35Å; F182-R185 WeakPolarHBondContact O-CD 3.32Å; F182-R185 VanDerWaalsContact O-CG 3.23Å; F182-R185 WeakPolarHBondContact O-CG 3.43Å; F182-R185 PolarHBondContact O-N 3.46Å; F182-R185 PolarHBondContact O-NH1 3.46Å
183H95.9Very high95.5Very high74 Ų7469.8 Ų69.834%0.34333%0.331SS..Hα-helixtrans-57.7-33.2-173.9-77.1-72.2000113.6D179 L209D179-H183 PolarHBondContact O-CD2 2.76Å; D179-H183 PolarHBondContact O-N 3.49Å; H183-L209 HydrophobicContact CB-CD1 3.6Å
184F96.3Very high95.2Very high2 Ų269.8 Ų69.81%0.00933%0.333CS..Hα-helixtrans-103.52.1-175.2-70.3-93000114.9M133 P134 L180 F182 H186 A187 W198 A202 H205 L206 L209M133-F184 HydrophobicContact CE-CB 3.84Å; M133-F184 HydrophobicContact CE-CD1 3.22Å; M133-F184 HydrophobicContact CE-CD2 3.59Å; M133-F184 HydrophobicContact CE-CE1 3.51Å; M133-F184 HydrophobicContact CE-CE2 3.86Å; M133-F184 HydrophobicContact CE-CG 3.25Å; M133-F184 HydrophobicContact CE-CZ 3.81Å; M133-F184 HydrophobicContact CG-CD2 4.49Å; P134-F184 HydrophobicContact CG-CB 4.11Å; L180-F184 HydrophobicContact CB-CD2 4.39Å; L180-F184 HydrophobicContact CD2-CE2 4.2Å; L180-F184 WeakPolarHBondContact O-CB 3.39Å; L180-F184 VanDerWaalsContact O-CD2 3.31Å; L180-F184 WeakPolarHBondContact O-CD2 3.44Å; L180-F184 PolarHBondContact O-N 2.98Å; F182-F184 PolarHBondContact O-N 2.9Å; F182-F184 VanDerWaalsContact O-N 3.12Å; F184-H186 PolarHBondContact O-N 2.72Å; F184-A187 HydrophobicContact CB-CB 4.49Å; F184-A187 HydrophobicContact CD1-CB 4.05Å; F184-A187 PolarHBondContact O-N 3.39Å; F184-W198 HydrophobicContact CB-CH2 3.76Å; F184-W198 HydrophobicContact CB-CZ2 4.23Å; F184-W198 HydrophobicContact CB-CZ3 4.14Å; F184-W198 HydrophobicContact CD1-CE3 4.16Å; F184-W198 HydrophobicContact CD1-CH2 4.37Å; F184-W198 AromaticContact CD1-CZ3 3.89Å; F184-W198 HydrophobicContact CD1-CZ3 3.89Å; F184-W198 HydrophobicContact CG-CZ3 4.48Å; F184-A202 HydrophobicContact CD1-CB 4.27Å; F184-A202 HydrophobicContact CE1-CB 3.75Å; F184-A202 WeakPolarHBondContact CE1-O 3.19Å; F184-A202 WeakPolarHBondContact CZ-O 3.35Å; F184-H205 HydrophobicContact CE1-CB 4.28Å; F184-H205 AromaticContact CE1-CD2 3.91Å; F184-H205 HydrophobicContact CZ-CB 4.13Å; F184-H205 AromaticContact CZ-CD2 3.6Å; F184-L206 HydrophobicContact CE2-CB 4.2Å; F184-L206 HydrophobicContact CE2-CG 4.43Å; F184-L206 HydrophobicContact CZ-CB 3.85Å; F184-L209 HydrophobicContact CE2-CD1 3.9Å; F184-L209 HydrophobicContact CZ-CD1 4.42Å
185R94.9Very high94.9Very high105 Ų10564.9 Ų64.940%0.39630%0.3SS..THydrogen-bonded Turntrans-56.6-25-177.375.3-166.3-178.8-91.28.7114.8H181 F182H181-R185 WeakPolarHBondContact O-CB 3.23Å; H181-R185 PolarHBondContact O-N 3.42Å; H181-R185 VanDerWaalsContact O-N 3.15Å; F182-R185 VanDerWaalsContact CD1-NH1 3.3Å; F182-R185 VanDerWaalsContact CE1-NH1 3.28Å; F182-R185 VanDerWaalsContact CE2-NH2 3.35Å; F182-R185 WeakPolarHBondContact O-CD 3.32Å; F182-R185 VanDerWaalsContact O-CG 3.23Å; F182-R185 WeakPolarHBondContact O-CG 3.43Å; F182-R185 PolarHBondContact O-N 3.46Å; F182-R185 PolarHBondContact O-NH1 3.46Å
186H94Very high94.7Very high145 Ų14563.7 Ų63.767%0.67130%0.295SS*.THydrogen-bonded Turntrans-110.44.8179.1-61-54.3000113.8F184 V188 Q189F184-H186 PolarHBondContact O-N 2.72Å; H186-V188 VanDerWaalsContact C-N 3.31Å; H186-V188 PolarHBondContact O-N 2.97Å; H186-Q189 PolarHBondContact O-OE1 3.37Å
187A93.8Very high94.4Very high17 Ų1764 Ų6414%0.1429%0.294CS..  trans-9527.7-176.600000113F184 Q189 H190 W198F184-A187 HydrophobicContact CB-CB 4.49Å; F184-A187 HydrophobicContact CD1-CB 4.05Å; F184-A187 PolarHBondContact O-N 3.39Å; A187-Q189 PolarHBondContact O-N 2.65Å; A187-H190 WeakPolarHBondContact O-CB 3.35Å; A187-H190 PolarHBondContact O-N 3.06Å; A187-W198 HydrophobicContact CB-CH2 4.46Å; A187-W198 HydrophobicContact CB-CZ3 3.87Å; A187-W198 VanDerWaalsContact O-CZ3 3.25Å; A187-W198 WeakPolarHBondContact O-CZ3 3.45Å
188V91.8Very high94.2Very high74 Ų7462.1 Ų62.145%0.44828%0.282SS..G310 helixtrans-54.3-29.8-170.2175.80000113.4H186 H190 R191H186-V188 VanDerWaalsContact C-N 3.31Å; H186-V188 PolarHBondContact O-N 2.97Å; V188-H190 PolarHBondContact O-N 3.06Å; V188-R191 WeakPolarHBondContact O-CB 3.39Å; V188-R191 PolarHBondContact O-N 2.87Å
189Q94.8Very high93.8Very high134 Ų13463 Ų6363%0.62629%0.287SS*.G310 helixtrans-60.3-24.5176.671.2-78.64.600114.1H186 A187H186-Q189 PolarHBondContact O-OE1 3.37Å; A187-Q189 PolarHBondContact O-N 2.65Å
190H94.4Very high93.2Very high53 Ų5366.7 Ų66.725%0.24530%0.302CS..G310 helixtrans-91.7-4.2178.7-64.3-62.7000113A187 V188 W198 D199 A202A187-H190 WeakPolarHBondContact O-CB 3.35Å; A187-H190 PolarHBondContact O-N 3.06Å; V188-H190 PolarHBondContact O-N 3.06Å; H190-W198 HydrophobicContact CB-CE3 4Å; H190-W198 HydrophobicContact CB-CZ3 4.32Å; H190-W198 CarbonylContact O-C 3.59Å; H190-W198 WeakPolarHBondContact O-CA 3.5Å; H190-D199 WeakPolarHBondContact CA-OD2 3.27Å; H190-D199 IonicContact CE1-OD2 3.92Å; H190-D199 IonicContact CG-OD1 3.7Å; H190-D199 IonicContact CG-OD2 3.6Å; H190-D199 IonicContact ND1-OD1 3.33Å; H190-D199 PolarHBondContact ND1-OD1 3.4Å; H190-D199 IonicContact ND1-OD2 2.82Å; H190-D199 PolarHBondContact ND1-OD2 3.47Å; H190-D199 PolarHBondContact O-N 3.43Å; H190-A202 HydrophobicContact CB-CB 3.77Å
191R95.3Very high92.8Very high46 Ų4672.1 Ų72.117%0.17433%0.328CS..BIsolated β-bridgetrans-87.9131.3177.6-169.817056.5-132.9-4.9110P134 V188 H197 W198P134-R191 WeakPolarHBondContact O-CD 3.48Å; P134-R191 PolarHBondContact O-NH1 3.28Å; V188-R191 WeakPolarHBondContact O-CB 3.39Å; V188-R191 PolarHBondContact O-N 2.87Å; R191-H197 WeakPolarHBondContact CG-O 3.33Å; R191-W198 HydrophobicContact CB-CD2 4.05Å; R191-W198 HydrophobicContact CB-CE3 4.03Å; R191-W198 HydrophobicContact CB-CH2 4.14Å; R191-W198 HydrophobicContact CB-CZ2 4.15Å; R191-W198 HydrophobicContact CB-CZ3 4.09Å; R191-W198 HydrophobicContact CG-CD2 4.26Å; R191-W198 HydrophobicContact CG-CZ2 4.19Å
192H92.5Very high92.5Very high96 Ų9670.3 Ų70.344%0.44432%0.319SS..  trans-64.4160.3175.6-75.9-78.3000111.8D194 G195 H197 W198H192-D194 PolarHBondContact O-N 3.36Å; H192-D194 VanDerWaalsContact O-N 3.11Å; H192-G195 PolarHBondContact O-N 2.97Å; H192-H197 HydrophobicContact CB-CB 4.25Å; H192-H197 WeakPolarHBondContact CB-O 3.27Å; H192-H197 PolarHBondContact N-O 2.74Å; H192-W198 VanDerWaalsContact CD2-C 3.46Å; H192-W198 PolarHBondContact CD2-O 3.24Å
193R90.6Very high92.1Very high250 Ų25066.7 Ų66.794%0.94330%0.304SS*.THydrogen-bonded Turntrans-63.4-17.5-177.4-67.4-175.1178.3-177.6-0.1114G195R193-G195 PolarHBondContact O-N 2.96Å
194D90.1Very high91.7Very high36 Ų3667.6 Ų67.619%0.19330%0.304CS..THydrogen-bonded Turntrans-75.2-6.7176.466.211.8000113.9I139 T140 H192 V196 H197I139-D194 VanDerWaalsContact CA-O 3.32Å; I139-D194 WeakPolarHBondContact CA-O 3.27Å; T140-D194 PolarHBondContact N-O 3.38Å; T140-D194 VanDerWaalsContact OG1-CA 3.27Å; T140-D194 WeakPolarHBondContact OG1-CA 3.29Å; T140-D194 WeakPolarHBondContact OG1-CB 3.13Å; H192-D194 PolarHBondContact O-N 3.36Å; H192-D194 VanDerWaalsContact O-N 3.11Å; D194-V196 VanDerWaalsContact C-N 3.25Å; D194-V196 PolarHBondContact O-N 3.13Å; D194-V196 PolarHBondContact OD1-N 3.17Å; D194-H197 PolarHBondContact OD1-N 3.33Å; D194-H197 IonicContact OD1-ND1 3.86Å; D194-H197 IonicContact OD2-CE1 3.7Å; D194-H197 IonicContact OD2-CG 3.59Å; D194-H197 IonicContact OD2-ND1 2.69Å; D194-H197 PolarHBondContact OD2-ND1 2.69Å
195G91.5Very high91.5Very high3 Ų370.4 Ų70.43%0.03132%0.318CS..SBendtrans76.55.4175.900000114.7L135 G136 R138 H192 R193L135-G195 CarbonylContact C-O 3.6Å; L135-G195 WeakPolarHBondContact CA-O 3.48Å; G136-G195 PolarHBondContact N-O 3.24Å; R138-G195 WeakPolarHBondContact O-CA 3.39Å; H192-G195 PolarHBondContact O-N 2.97Å; R193-G195 PolarHBondContact O-N 2.96Å
196V91.3Very high91.5Very high1 Ų165.4 Ų65.41%0.00630%0.299CS..SBendtrans-125.5-49.4-177.2179.10000111.7L92 L135 I139 F143 D194 W198L92-V196 HydrophobicContact CD2-CG1 3.49Å; L92-V196 VanDerWaalsContact CD2-CG1 3.49Å; L92-V196 HydrophobicContact CD2-CG2 4.46Å; L135-V196 HydrophobicContact CD2-CG2 4.44Å; I139-V196 HydrophobicContact CG1-CG2 4.43Å; I139-V196 HydrophobicContact CG2-CG2 3.69Å; F143-V196 HydrophobicContact CD1-CG1 4.41Å; F143-V196 HydrophobicContact CD2-CB 4.5Å; F143-V196 HydrophobicContact CD2-CG2 3.97Å; F143-V196 HydrophobicContact CE1-CB 4.37Å; F143-V196 HydrophobicContact CE1-CG1 3.69Å; F143-V196 HydrophobicContact CE2-CB 3.84Å; F143-V196 HydrophobicContact CE2-CG1 4.07Å; F143-V196 HydrophobicContact CE2-CG2 3.81Å; F143-V196 HydrophobicContact CG-CG2 4.37Å; F143-V196 HydrophobicContact CZ-CB 3.75Å; F143-V196 HydrophobicContact CZ-CG1 3.47Å; F143-V196 VanDerWaalsContact CZ-CG1 3.47Å; F143-V196 HydrophobicContact CZ-CG2 4.07Å; D194-V196 VanDerWaalsContact C-N 3.25Å; D194-V196 PolarHBondContact O-N 3.13Å; D194-V196 PolarHBondContact OD1-N 3.17Å; V196-W198 PolarHBondContact O-NE1 3.35Å
197H91.3Very high91.3Very high57 Ų5758.5 Ų58.526%0.26427%0.267SS..  trans-82.1157.6-174.3-64.4107.4000111.9S41 F143 R191 H192 D194S41-H197 PolarHBondContact OG-NE2 3.08Å; F143-H197 AromaticContact CE2-CE1 3.92Å; F143-H197 AromaticContact CZ-CE1 3.35Å; F143-H197 WeakPolarHBondContact CZ-CE1 3.38Å; F143-H197 AromaticContact CZ-ND1 3.98Å; F143-H197 AromaticContact CZ-NE2 3.82Å; R191-H197 WeakPolarHBondContact CG-O 3.33Å; H192-H197 HydrophobicContact CB-CB 4.25Å; H192-H197 WeakPolarHBondContact CB-O 3.27Å; H192-H197 PolarHBondContact N-O 2.74Å; D194-H197 PolarHBondContact OD1-N 3.33Å; D194-H197 IonicContact OD1-ND1 3.86Å; D194-H197 IonicContact OD2-CE1 3.7Å; D194-H197 IonicContact OD2-CG 3.59Å; D194-H197 IonicContact OD2-ND1 2.69Å; D194-H197 PolarHBondContact OD2-ND1 2.69Å
198W94.1Very high91.2Very high7 Ų758.1 Ų58.13%0.02726%0.262CS..BIsolated β-bridgetrans-124.4155.2-179.4-66.477.7000110.3M133 P134 F184 A187 H190 R191 H192 V196 A202 H203M133-W198 HydrophobicContact CB-CZ2 4.29Å; M133-W198 HydrophobicContact CE-CB 4.37Å; M133-W198 HydrophobicContact CE-CD2 3.38Å; M133-W198 HydrophobicContact CE-CE3 3.81Å; M133-W198 HydrophobicContact CE-CG 3.63Å; M133-W198 HydrophobicContact CE-CH2 4.37Å; M133-W198 HydrophobicContact CE-CZ2 4.02Å; M133-W198 HydrophobicContact CE-CZ3 4.26Å; M133-W198 HydrophobicContact SD-CD2 4.33Å; M133-W198 HydrophobicContact SD-CG 4.07Å; P134-W198 HydrophobicContact CG-CH2 4.04Å; P134-W198 HydrophobicContact CG-CZ2 3.81Å; P134-W198 WeakPolarHBondContact O-CZ2 3.42Å; F184-W198 HydrophobicContact CB-CH2 3.76Å; F184-W198 HydrophobicContact CB-CZ2 4.23Å; F184-W198 HydrophobicContact CB-CZ3 4.14Å; F184-W198 HydrophobicContact CD1-CE3 4.16Å; F184-W198 HydrophobicContact CD1-CH2 4.37Å; F184-W198 AromaticContact CD1-CZ3 3.89Å; F184-W198 HydrophobicContact CD1-CZ3 3.89Å; F184-W198 HydrophobicContact CG-CZ3 4.48Å; A187-W198 HydrophobicContact CB-CH2 4.46Å; A187-W198 HydrophobicContact CB-CZ3 3.87Å; A187-W198 VanDerWaalsContact O-CZ3 3.25Å; A187-W198 WeakPolarHBondContact O-CZ3 3.45Å; H190-W198 HydrophobicContact CB-CE3 4Å; H190-W198 HydrophobicContact CB-CZ3 4.32Å; H190-W198 CarbonylContact O-C 3.59Å; H190-W198 WeakPolarHBondContact O-CA 3.5Å; R191-W198 HydrophobicContact CB-CD2 4.05Å; R191-W198 HydrophobicContact CB-CE3 4.03Å; R191-W198 HydrophobicContact CB-CH2 4.14Å; R191-W198 HydrophobicContact CB-CZ2 4.15Å; R191-W198 HydrophobicContact CB-CZ3 4.09Å; R191-W198 HydrophobicContact CG-CD2 4.26Å; R191-W198 HydrophobicContact CG-CZ2 4.19Å; H192-W198 VanDerWaalsContact CD2-C 3.46Å; H192-W198 PolarHBondContact CD2-O 3.24Å; V196-W198 PolarHBondContact O-NE1 3.35Å; W198-A202 HydrophobicContact CB-CB 3.83Å; W198-A202 HydrophobicContact CD2-CB 4.32Å; W198-A202 HydrophobicContact CE3-CB 3.69Å; W198-A202 HydrophobicContact CG-CB 4.43Å; W198-H203 PolarHBondContact O-CD2 3.24Å; W198-H203 PolarHBondContact O-NE2 3.46Å
199D89.8Confident91.4Very high27 Ų2755.1 Ų55.114%0.14424%0.243CC..  trans-77.1174.8179.575.317000112.2H190 H201 A202 H203H190-D199 WeakPolarHBondContact CA-OD2 3.27Å; H190-D199 IonicContact CE1-OD2 3.92Å; H190-D199 IonicContact CG-OD1 3.7Å; H190-D199 IonicContact CG-OD2 3.6Å; H190-D199 IonicContact ND1-OD1 3.33Å; H190-D199 PolarHBondContact ND1-OD1 3.4Å; H190-D199 IonicContact ND1-OD2 2.82Å; H190-D199 PolarHBondContact ND1-OD2 3.47Å; H190-D199 PolarHBondContact O-N 3.43Å; D199-H201 PolarHBondContact O-N 3.23Å; D199-H201 WeakPolarHBondContact OD1-CA 3.24Å; D199-H201 WeakPolarHBondContact OD1-CB 3.36Å; D199-H201 PolarHBondContact OD1-N 3.29Å; D199-H201 IonicContact OD2-CD2 3.91Å; D199-A202 PolarHBondContact O-N 3.37Å; D199-A202 PolarHBondContact OD1-N 2.87Å; D199-H203 PolarHBondContact O-CD2 3.47Å; D199-H203 PolarHBondContact O-N 3.22Å; D199-H203 VanDerWaalsContact O-N 3.08Å
200Q84.3Confident91.4Very high130 Ų13048.8 Ų48.861%0.60721%0.214SC*.Hα-helixtrans-62.8-26.3179.767.1-80.6-1.400114.1R204Q200-R204 WeakPolarHBondContact O-CB 3.3Å; Q200-R204 PolarHBondContact O-N 3Å
201H88.8Confident91.4Very high115 Ų11546.5 Ų46.553%0.53220%0.203SC..Hα-helixtrans-72.8-42.3179.6-64-80.6000110.4D199 R204 H205D199-H201 PolarHBondContact O-N 3.23Å; D199-H201 WeakPolarHBondContact OD1-CA 3.24Å; D199-H201 WeakPolarHBondContact OD1-CB 3.36Å; D199-H201 PolarHBondContact OD1-N 3.29Å; D199-H201 IonicContact OD2-CD2 3.91Å; H201-R204 PolarHBondContact O-N 3Å; H201-H205 PolarHBondContact O-N 2.93Å
202A91Very high91.4Very high2 Ų244.6 Ų44.62%0.01720%0.197CC..Hα-helixtrans-63.2-42172.400000112.1F184 H190 W198 D199 R204 H205 L206F184-A202 HydrophobicContact CD1-CB 4.27Å; F184-A202 HydrophobicContact CE1-CB 3.75Å; F184-A202 WeakPolarHBondContact CE1-O 3.19Å; F184-A202 WeakPolarHBondContact CZ-O 3.35Å; H190-A202 HydrophobicContact CB-CB 3.77Å; W198-A202 HydrophobicContact CB-CB 3.83Å; W198-A202 HydrophobicContact CD2-CB 4.32Å; W198-A202 HydrophobicContact CE3-CB 3.69Å; W198-A202 HydrophobicContact CG-CB 4.43Å; D199-A202 PolarHBondContact O-N 3.37Å; D199-A202 PolarHBondContact OD1-N 2.87Å; A202-R204 PolarHBondContact O-N 3.04Å; A202-H205 PolarHBondContact O-N 3.42Å; A202-L206 PolarHBondContact O-N 2.95Å
203H88.1Confident91.6Very high26 Ų2641.5 Ų41.512%0.1218%0.182CC..Hα-helixtrans-62.5-42.1175.9-69.5-45.5000112.7W198 D199 H205 L206 S207W198-H203 PolarHBondContact O-CD2 3.24Å; W198-H203 PolarHBondContact O-NE2 3.46Å; D199-H203 PolarHBondContact O-CD2 3.47Å; D199-H203 PolarHBondContact O-N 3.22Å; D199-H203 VanDerWaalsContact O-N 3.08Å; H203-H205 VanDerWaalsContact C-N 3.34Å; H203-H205 PolarHBondContact O-N 3.19Å; H203-L206 WeakPolarHBondContact O-CB 3.28Å; H203-L206 PolarHBondContact O-N 3.45Å; H203-S207 PolarHBondContact O-N 3.36Å; H203-S207 PolarHBondContact O-OG 3.26Å
204R87.6Confident91.8Very high93 Ų9329.6 Ų29.635%0.35114%0.138SC..Hα-helixtrans-62.5-40.8174.2178.954.959.388.23.2112.4D49 Q200 H201 A202 L206 S207 H208D49-R204 IonicContact OD1-CZ 3.33Å; D49-R204 IonicContact OD1-NE 2.99Å; D49-R204 PolarHBondContact OD1-NE 2.92Å; D49-R204 IonicContact OD1-NH2 2.78Å; D49-R204 PolarHBondContact OD1-NH2 2.98Å; D49-R204 IonicContact OD2-CZ 3.69Å; D49-R204 IonicContact OD2-NE 3.8Å; D49-R204 PolarHBondContact OD2-NE 3.23Å; Q200-R204 WeakPolarHBondContact O-CB 3.3Å; Q200-R204 PolarHBondContact O-N 3Å; H201-R204 PolarHBondContact O-N 3Å; A202-R204 PolarHBondContact O-N 3.04Å; R204-L206 VanDerWaalsContact C-N 3.32Å; R204-S207 PolarHBondContact O-N 3.04Å; R204-H208 VanDerWaalsContact CD-NE2 3.34Å; R204-H208 WeakPolarHBondContact CD-NE2 3.33Å; R204-H208 PolarHBondContact O-CD2 3.48Å; R204-H208 VanDerWaalsContact O-CD2 3.23Å; R204-H208 PolarHBondContact O-N 2.92Å; R204-H208 VanDerWaalsContact O-N 3.13Å
205H92.2Very high92.1Very high62 Ų6228 Ų2829%0.28713%0.129SC..Hα-helixtrans-61.8-42175.9-170.676.9000111.5M18 F184 H201 A202 H203 H208 L209M18-H205 WeakPolarHBondContact CE-CE1 3.39Å; M18-H205 WeakPolarHBondContact CE-ND1 3.42Å; M18-H205 PolarHBondContact SD-CE1 3.09Å; M18-H205 PolarHBondContact SD-ND1 3.21Å; F184-H205 HydrophobicContact CE1-CB 4.28Å; F184-H205 AromaticContact CE1-CD2 3.91Å; F184-H205 HydrophobicContact CZ-CB 4.13Å; F184-H205 AromaticContact CZ-CD2 3.6Å; H201-H205 PolarHBondContact O-N 2.93Å; A202-H205 PolarHBondContact O-N 3.42Å; H203-H205 VanDerWaalsContact C-N 3.34Å; H203-H205 PolarHBondContact O-N 3.19Å; H205-H208 PolarHBondContact O-N 2.69Å; H205-L209 WeakPolarHBondContact O-CG 3.43Å; H205-L209 PolarHBondContact O-N 3.12Å
206L94.2Very high92.2Very high0 Ų031.4 Ų31.40%015%0.147CC..Hα-helixtrans-59.5-49175.4-166.2172.5000110.8I42 V46 M133 L180 F184 A202 H203 R204 H208 L209 L210I42-L206 HydrophobicContact CG2-CD1 3.9Å; V46-L206 HydrophobicContact CB-CD2 4.45Å; V46-L206 HydrophobicContact CG1-CD2 4.16Å; V46-L206 HydrophobicContact CG2-CB 4.44Å; V46-L206 HydrophobicContact CG2-CD1 3.58Å; V46-L206 HydrophobicContact CG2-CD2 3.41Å; V46-L206 VanDerWaalsContact CG2-CD2 3.41Å; V46-L206 HydrophobicContact CG2-CG 3.98Å; M133-L206 HydrophobicContact SD-CD1 4.04Å; L180-L206 HydrophobicContact CD1-CD1 3.75Å; L180-L206 HydrophobicContact CD1-CD2 4.28Å; L180-L206 HydrophobicContact CD1-CG 3.96Å; L180-L206 HydrophobicContact CD2-CD1 4.48Å; L180-L206 HydrophobicContact CD2-CD2 4.28Å; L180-L206 HydrophobicContact CD2-CG 3.86Å; F184-L206 HydrophobicContact CE2-CB 4.2Å; F184-L206 HydrophobicContact CE2-CG 4.43Å; F184-L206 HydrophobicContact CZ-CB 3.85Å; A202-L206 PolarHBondContact O-N 2.95Å; H203-L206 WeakPolarHBondContact O-CB 3.28Å; H203-L206 PolarHBondContact O-N 3.45Å; R204-L206 VanDerWaalsContact C-N 3.32Å; L206-H208 VanDerWaalsContact C-N 3.25Å; L206-H208 PolarHBondContact O-N 3.38Å; L206-L209 PolarHBondContact O-N 3.48Å; L206-L210 HydrophobicContact CD2-CB 4.43Å; L206-L210 WeakPolarHBondContact O-CB 3.44Å; L206-L210 PolarHBondContact O-N 3.05Å
207S90.8Very high92.4Very high0 Ų033.6 Ų33.60%017%0.165CC..Hα-helixtrans-55-42177-57.90000111.9D49 H203 R204 L210 L211D49-S207 VanDerWaalsContact OD2-CB 3.27Å; D49-S207 WeakPolarHBondContact OD2-CB 3.36Å; D49-S207 PolarHBondContact OD2-OG 2.59Å; H203-S207 PolarHBondContact O-N 3.36Å; H203-S207 PolarHBondContact O-OG 3.26Å; R204-S207 PolarHBondContact O-N 3.04Å; S207-L210 PolarHBondContact O-N 2.78Å; S207-L211 WeakPolarHBondContact O-CB 3.3Å; S207-L211 WeakPolarHBondContact O-CD1 3.26Å; S207-L211 WeakPolarHBondContact O-CG 3.48Å; S207-L211 PolarHBondContact O-N 3.31Å
208H91.8Very high92.6Very high9 Ų934 Ų344%0.04216%0.164CC..Hα-helixtrans-69.4-39.6178.1-72.6-45.5000113.7M18 H20 F21 R204 H205 L206 L210 L211 T212M18-H208 HydrophobicContact CG-CB 4.09Å; M18-H208 HydrophobicContact SD-CB 3.83Å; H20-H208 AromaticContact CE1-CD2 3.99Å; H20-H208 AromaticContact ND1-CD2 3.28Å; H20-H208 PolarHBondContact ND1-CD2 3.19Å; H20-H208 VanDerWaalsContact ND1-CD2 3.28Å; H20-H208 AromaticContact ND1-CG 3.98Å; H20-H208 AromaticContact ND1-NE2 3.49Å; H20-H208 PolarHBondContact ND1-NE2 3.36Å; F21-H208 AromaticContact CD2-ND1 3.97Å; F21-H208 PolarHBondContact N-CE1 3.4Å; F21-H208 PolarHBondContact N-ND1 2.71Å; F21-H208 PolarHBondContact O-CE1 3.27Å; R204-H208 VanDerWaalsContact CD-NE2 3.34Å; R204-H208 WeakPolarHBondContact CD-NE2 3.33Å; R204-H208 PolarHBondContact O-CD2 3.48Å; R204-H208 VanDerWaalsContact O-CD2 3.23Å; R204-H208 PolarHBondContact O-N 2.92Å; R204-H208 VanDerWaalsContact O-N 3.13Å; H205-H208 PolarHBondContact O-N 2.69Å; L206-H208 VanDerWaalsContact C-N 3.25Å; L206-H208 PolarHBondContact O-N 3.38Å; H208-L210 VanDerWaalsContact C-N 3.33Å; H208-L211 PolarHBondContact O-N 3.06Å; H208-T212 WeakPolarHBondContact O-CB 3.45Å; H208-T212 PolarHBondContact O-N 3.11Å; H208-T212 PolarHBondContact O-OG1 2.93Å
209L95.4Very high92.6Very high10 Ų1036.9 Ų36.95%0.05220%0.196CC..Hα-helixtrans-58.9-47.9172.6-74.1168.3000110.9M18 L178 H183 F184 H205 L206 T212 H213M18-L209 HydrophobicContact CB-CD2 3.76Å; M18-L209 HydrophobicContact CG-CD2 3.7Å; M18-L209 HydrophobicContact CG-CG 4.02Å; M18-L209 HydrophobicContact SD-CD2 3.93Å; M18-L209 HydrophobicContact SD-CG 3.78Å; L178-L209 HydrophobicContact CD1-CB 4.47Å; L178-L209 HydrophobicContact CD2-CB 4.33Å; H183-L209 HydrophobicContact CB-CD1 3.6Å; F184-L209 HydrophobicContact CE2-CD1 3.9Å; F184-L209 HydrophobicContact CZ-CD1 4.42Å; H205-L209 WeakPolarHBondContact O-CG 3.43Å; H205-L209 PolarHBondContact O-N 3.12Å; L206-L209 PolarHBondContact O-N 3.48Å; L209-T212 PolarHBondContact O-N 3.4Å; L209-H213 WeakPolarHBondContact O-CB 3.18Å; L209-H213 PolarHBondContact O-N 3.15Å
210L95.4Very high92.8Very high2 Ų238.9 Ų38.91%0.0121%0.209CC..Hα-helixtrans-62.5-46.7179.3178.264.5000112.3V46 L50 I87 V128 L178 L206 S207 H208 T212 H213 V214V46-L210 HydrophobicContact CG1-CD2 3.91Å; L50-L210 HydrophobicContact CD1-CD2 4.45Å; I87-L210 HydrophobicContact CD1-CD1 4.26Å; I87-L210 HydrophobicContact CD1-CD2 3.65Å; I87-L210 HydrophobicContact CD1-CG 4.31Å; I87-L210 HydrophobicContact CG1-CD1 4.09Å; I87-L210 HydrophobicContact CG1-CD2 4.27Å; I87-L210 HydrophobicContact CG2-CD1 4.21Å; I87-L210 HydrophobicContact CG2-CD2 4.2Å; V128-L210 HydrophobicContact CB-CD1 4.46Å; V128-L210 HydrophobicContact CG1-CD1 4.04Å; L178-L210 HydrophobicContact CD2-CB 4.1Å; L178-L210 HydrophobicContact CD2-CD1 4.2Å; L206-L210 HydrophobicContact CD2-CB 4.43Å; L206-L210 WeakPolarHBondContact O-CB 3.44Å; L206-L210 PolarHBondContact O-N 3.05Å; S207-L210 PolarHBondContact O-N 2.78Å; H208-L210 VanDerWaalsContact C-N 3.33Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.31Å; L210-H213 WeakPolarHBondContact O-CB 3.24Å; L210-H213 PolarHBondContact O-N 3.28Å; L210-V214 HydrophobicContact CD1-CG2 4.34Å; L210-V214 WeakPolarHBondContact O-CB 3.22Å; L210-V214 VanDerWaalsContact O-CG2 3.29Å; L210-V214 WeakPolarHBondContact O-CG2 3.44Å; L210-V214 PolarHBondContact O-N 2.89Å
211L94.4Very high93Very high4 Ų440.6 Ų40.62%0.02122%0.217CC..Hα-helixtrans-66.6-35.5178.4-69.8165.7000112.2F21 V26 L29 L30 L50 S207 H208 H213 A215F21-L211 HydrophobicContact CB-CD1 4.38Å; F21-L211 HydrophobicContact CD2-CB 3.83Å; F21-L211 HydrophobicContact CD2-CD1 4.41Å; F21-L211 HydrophobicContact CE1-CB 4.49Å; F21-L211 HydrophobicContact CE2-CB 3.72Å; F21-L211 HydrophobicContact CG-CB 4.29Å; F21-L211 HydrophobicContact CG-CD1 4.34Å; F21-L211 HydrophobicContact CZ-CB 4.06Å; V26-L211 HydrophobicContact CB-CD1 4.49Å; V26-L211 HydrophobicContact CG1-CD1 4.01Å; V26-L211 HydrophobicContact CG1-CD2 3.94Å; V26-L211 HydrophobicContact CG2-CD1 3.64Å; L29-L211 HydrophobicContact CD2-CB 4.4Å; L29-L211 HydrophobicContact CD2-CD2 3.93Å; L30-L211 HydrophobicContact CD1-CD2 4.16Å; L50-L211 HydrophobicContact CD2-CD1 3.88Å; L50-L211 HydrophobicContact CD2-CD2 4.07Å; L50-L211 HydrophobicContact CD2-CG 4.07Å; S207-L211 WeakPolarHBondContact O-CB 3.3Å; S207-L211 WeakPolarHBondContact O-CD1 3.26Å; S207-L211 WeakPolarHBondContact O-CG 3.48Å; S207-L211 PolarHBondContact O-N 3.31Å; H208-L211 PolarHBondContact O-N 3.06Å; L211-H213 VanDerWaalsContact C-N 3.35Å; L211-A215 VanDerWaalsContact O-CB 3.26Å; L211-A215 WeakPolarHBondContact O-CB 3.5Å; L211-A215 PolarHBondContact O-N 2.59Å
212T94.8Very high92.8Very high6 Ų637 Ų374%0.03720%0.201CC..Hα-helixtrans-61.6-47.6173.5-57.30000109.9S16 V19 H208 L209 L210 A215 D216 L222S16-T212 WeakPolarHBondContact OG-CG2 3.45Å; V19-T212 PolarHBondContact N-OG1 3.39Å; H208-T212 WeakPolarHBondContact O-CB 3.45Å; H208-T212 PolarHBondContact O-N 3.11Å; H208-T212 PolarHBondContact O-OG1 2.93Å; L209-T212 PolarHBondContact O-N 3.4Å; L210-T212 VanDerWaalsContact C-N 3.33Å; L210-T212 PolarHBondContact O-N 3.31Å; T212-A215 PolarHBondContact O-N 3.4Å; T212-D216 WeakPolarHBondContact O-CB 3.36Å; T212-D216 PolarHBondContact O-N 3.28Å; T212-L222 HydrophobicContact CG2-CD1 3.91Å; T212-L222 HydrophobicContact CG2-CD2 4.33Å
213H95.5Very high92.4Very high31 Ų3138.1 Ų38.114%0.14421%0.208CC..Hα-helixtrans-59.4-50.2177.5-173.696.7000111.8D176 L209 L210 L211 A215 D216 A217D176-H213 VanDerWaalsContact CB-NE2 3.33Å; D176-H213 WeakPolarHBondContact CB-NE2 3.3Å; D176-H213 IonicContact OD2-CD2 3.71Å; D176-H213 IonicContact OD2-CE1 3.6Å; D176-H213 IonicContact OD2-NE2 2.72Å; D176-H213 PolarHBondContact OD2-NE2 2.91Å; L209-H213 WeakPolarHBondContact O-CB 3.18Å; L209-H213 PolarHBondContact O-N 3.15Å; L210-H213 WeakPolarHBondContact O-CB 3.24Å; L210-H213 PolarHBondContact O-N 3.28Å; L211-H213 VanDerWaalsContact C-N 3.35Å; H213-A215 PolarHBondContact O-N 3.45Å; H213-D216 PolarHBondContact O-N 3Å; H213-A217 WeakPolarHBondContact O-CB 3.39Å; H213-A217 PolarHBondContact O-N 3.47Å
214V96.1Very high91.7Very high1 Ų146 Ų461%0.00624%0.242CC..Hα-helixtrans-61.5-42.9179.71690000111.7L29 L85 L126 V128 L210 A217 W218L29-V214 HydrophobicContact CD2-CG1 4.42Å; L85-V214 HydrophobicContact CD1-CG2 4.02Å; L85-V214 HydrophobicContact CD2-CG1 4.11Å; L85-V214 HydrophobicContact CD2-CG2 3.8Å; L126-V214 HydrophobicContact CD2-CB 4.47Å; L126-V214 HydrophobicContact CD2-CG1 4.34Å; L126-V214 HydrophobicContact CD2-CG2 4.25Å; V128-V214 HydrophobicContact CG2-CG2 4.38Å; L210-V214 HydrophobicContact CD1-CG2 4.34Å; L210-V214 WeakPolarHBondContact O-CB 3.22Å; L210-V214 VanDerWaalsContact O-CG2 3.29Å; L210-V214 WeakPolarHBondContact O-CG2 3.44Å; L210-V214 PolarHBondContact O-N 2.89Å; V214-A217 PolarHBondContact O-N 3.01Å; V214-W218 HydrophobicContact CG1-CD2 3.83Å; V214-W218 HydrophobicContact CG1-CE3 3.46Å; V214-W218 VanDerWaalsContact CG1-CE3 3.46Å; V214-W218 HydrophobicContact CG1-CH2 3.7Å; V214-W218 HydrophobicContact CG1-CZ2 4.06Å; V214-W218 HydrophobicContact CG1-CZ3 3.38Å; V214-W218 WeakPolarHBondContact O-CB 3.43Å; V214-W218 PolarHBondContact O-N 3.28Å
215A95.3Very high91Very high1 Ų146.6 Ų46.61%0.00825%0.245CC..Hα-helixtrans-63.3-43177.400000112F21 L29 L211 T212 H213 W218 G219 V220 L222F21-A215 HydrophobicContact CZ-CB 4.19Å; L29-A215 HydrophobicContact CD1-CB 3.95Å; L29-A215 HydrophobicContact CD2-CB 4.03Å; L211-A215 VanDerWaalsContact O-CB 3.26Å; L211-A215 WeakPolarHBondContact O-CB 3.5Å; L211-A215 PolarHBondContact O-N 2.59Å; T212-A215 PolarHBondContact O-N 3.4Å; H213-A215 PolarHBondContact O-N 3.45Å; A215-W218 PolarHBondContact O-N 3.38Å; A215-G219 PolarHBondContact O-N 3.16Å; A215-V220 HydrophobicContact CB-CB 4.25Å; A215-V220 PolarHBondContact O-N 3.11Å; A215-L222 HydrophobicContact CB-CD2 3.52Å
216D94.1Very high89.2Confident76 Ų7647 Ų4741%0.40627%0.265SS..Hα-helixtrans-64.1-45.7176.6-167.445.9000111.5L14 T212 H213 W218 G219L14-D216 WeakPolarHBondContact CD2-OD2 3.37Å; T212-D216 WeakPolarHBondContact O-CB 3.36Å; T212-D216 PolarHBondContact O-N 3.28Å; H213-D216 PolarHBondContact O-N 3Å; D216-W218 VanDerWaalsContact C-N 3.3Å; D216-W218 PolarHBondContact O-N 3.38Å; D216-G219 PolarHBondContact O-N 2.9Å
217A94.9Very high86.8Confident46 Ų4654.5 Ų54.538%0.3830%0.295SS..Hα-helixtrans-61.1-35.9177.400000113L126 H213 V214 G219L126-A217 HydrophobicContact CD1-CB 3.97Å; L126-A217 HydrophobicContact CD2-CB 3.63Å; L126-A217 HydrophobicContact CG-CB 4.48Å; H213-A217 WeakPolarHBondContact O-CB 3.39Å; H213-A217 PolarHBondContact O-N 3.47Å; V214-A217 PolarHBondContact O-N 3.01Å; A217-G219 VanDerWaalsContact C-N 3.31Å
218W95.9Very high84.4Confident67 Ų6759.6 Ų59.625%0.25433%0.328SS..THydrogen-bonded Turntrans-84.80.4174-70.7-19.5000114.2L29 L30 K33 D84 L85 V214 A215 D216 V220L29-W218 HydrophobicContact CD1-CE3 3.75Å; L29-W218 HydrophobicContact CD1-CZ3 4.11Å; L29-W218 HydrophobicContact CG-CE3 4.35Å; L29-W218 HydrophobicContact CG-CZ3 4.21Å; L29-W218 WeakPolarHBondContact O-CZ3 3.33Å; L30-W218 HydrophobicContact CD2-CH2 4.1Å; L30-W218 HydrophobicContact CD2-CZ3 3.97Å; K33-W218 HydrophobicContact CB-CH2 4.41Å; K33-W218 HydrophobicContact CD-CH2 4.14Å; K33-W218 HydrophobicContact CG-CH2 3.89Å; K33-W218 HydrophobicContact CG-CZ3 4.18Å; D84-W218 HydrophobicContact CB-CZ2 4.45Å; L85-W218 HydrophobicContact CB-CH2 4.25Å; L85-W218 HydrophobicContact CB-CZ2 3.99Å; L85-W218 HydrophobicContact CD2-CH2 4.27Å; V214-W218 HydrophobicContact CG1-CD2 3.83Å; V214-W218 HydrophobicContact CG1-CE3 3.46Å; V214-W218 VanDerWaalsContact CG1-CE3 3.46Å; V214-W218 HydrophobicContact CG1-CH2 3.7Å; V214-W218 HydrophobicContact CG1-CZ2 4.06Å; V214-W218 HydrophobicContact CG1-CZ3 3.38Å; V214-W218 WeakPolarHBondContact O-CB 3.43Å; V214-W218 PolarHBondContact O-N 3.28Å; A215-W218 PolarHBondContact O-N 3.38Å; D216-W218 VanDerWaalsContact C-N 3.3Å; D216-W218 PolarHBondContact O-N 3.38Å; W218-V220 HydrophobicContact CB-CG2 4.05Å; W218-V220 PolarHBondContact O-N 3.45Å
219G94.2Very high81.7Confident67 Ų6768.7 Ų68.769%0.69139%0.387SS*.THydrogen-bonded Turntrans65.426.1-178.600000113.9A215 D216 A217A215-G219 PolarHBondContact O-N 3.16Å; D216-G219 PolarHBondContact O-N 2.9Å; A217-G219 VanDerWaalsContact C-N 3.31Å
220V93.3Very high81.1Confident69 Ų6971.7 Ų71.742%0.41840%0.404SS..PPolyproline II helixtrans-83127.9176.9178.20000109.3L29 A215 W218 L222L29-V220 HydrophobicContact CD1-CB 4.11Å; L29-V220 HydrophobicContact CD1-CG1 4.18Å; L29-V220 HydrophobicContact CD1-CG2 3.91Å; A215-V220 HydrophobicContact CB-CB 4.25Å; A215-V220 PolarHBondContact O-N 3.11Å; W218-V220 HydrophobicContact CB-CG2 4.05Å; W218-V220 PolarHBondContact O-N 3.45Å; V220-L222 PolarHBondContact O-N 3.04Å
221E89.4Confident80.3Confident165 Ų16575.3 Ų75.377%0.77143%0.425SS*.PPolyproline II helixtrans-59.9123.6177.7-70.7-165.417300111.6
222L85.6Confident79.5Confident40 Ų4079.3 Ų79.321%0.20945%0.447CS..PPolyproline II helixtrans-72.1146.8177.8-66.9174000111.8S16 V19 F21 T212 A215 V220 K224S16-L222 WeakPolarHBondContact OG-CD1 3.39Å; V19-L222 HydrophobicContact CG2-CB 4.18Å; V19-L222 HydrophobicContact CG2-CD1 4.01Å; F21-L222 HydrophobicContact CE2-CD2 4.46Å; F21-L222 HydrophobicContact CZ-CD2 3.71Å; T212-L222 HydrophobicContact CG2-CD1 3.91Å; T212-L222 HydrophobicContact CG2-CD2 4.33Å; A215-L222 HydrophobicContact CB-CD2 3.52Å; V220-L222 PolarHBondContact O-N 3.04Å; L222-K224 PolarHBondContact O-N 3.48Å
223P80.7Confident78.6Confident26 Ų2683.6 Ų83.617%0.16947%0.472CS..PPolyproline II helixtrans-54.9122.6173.3-25.132.4000112V19 E25 R225V19-P223 HydrophobicContact CG1-CB 4.06Å; V19-P223 HydrophobicContact CG1-CG 4.15Å; E25-P223 HydrophobicContact CG-CG 4.3Å; E25-P223 WeakPolarHBondContact OE1-CB 3.47Å; E25-P223 VanDerWaalsContact OE1-CG 3.26Å; E25-P223 WeakPolarHBondContact OE1-CG 3.28Å; P223-R225 PolarHBondContact O-N 3.27Å
224K75.3Confident77.6Confident192 Ų19286.9 Ų86.984%0.83549%0.492SS*.  trans-78.372.7175.5-63.5177.1-1741680110L222L222-K224 PolarHBondContact O-N 3.48Å
225R72.4Confident76.3Confident105 Ų10592.6 Ų92.640%0.39652%0.524SS..PPolyproline II helixtrans-99.8118.5168.3-66.6-176.9-178.5113.217.7108.2H20 E25 P223H20-R225 PolarHBondContact O-NH1 2.9Å; E25-R225 VanDerWaalsContact CD-NH2 3.29Å; E25-R225 IonicContact OE1-CZ 3.38Å; E25-R225 IonicContact OE1-NH1 3.43Å; E25-R225 PolarHBondContact OE1-NH1 2.81Å; E25-R225 IonicContact OE1-NH2 2.68Å; E25-R225 PolarHBondContact OE1-NH2 3.08Å; E25-R225 IonicContact OE2-CZ 3.46Å; E25-R225 IonicContact OE2-NH1 2.77Å; E25-R225 PolarHBondContact OE2-NH1 3.05Å; E25-R225 IonicContact OE2-NH2 3.23Å; E25-R225 PolarHBondContact OE2-NH2 3.42Å; P223-R225 PolarHBondContact O-N 3.27Å
226G54Low75Confident69 Ų6999.1 Ų99.171%0.71156%0.561SS**PPolyproline II helixtrans-60.5140.5167.300000109.1
227Y44Very low73.5Confident159 Ų159100.9 Ų100.962%0.62457%0.573SS**PPolyproline II helixtrans-48.7125.7168.4-83.2-87.9000108.8D17D17-Y227 HydrophobicContact CB-CE2 4.03Å; D17-Y227 WeakPolarHBondContact CB-OH 3.26Å
228P39.1Very low71.7Confident107 Ų107105.5 Ų105.570%0.69559%0.589SS**PPolyproline II helixtrans-61.713915718.6-12.3000107.2
229P37.1Very low69.5Low200 Ų200109 Ų109100%1.29962%0.62SS**  trans-57.7018025.4-34.4000112.8

Retrieved 229 of 229 residues in 49.6 ms (Link to these results)

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