G4VBH2_SCHMA Loading...

Hcy-binding domain-containing protein

AlphaFold DB , UniProt , Accession G4VBH2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 360 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
1M39.9Very low69.7Low231 Ų23195.4 Ų95.4100%1.13851%0.508SS*.  06.40-87.5171.6171.100114.6
2C44.5Very low71.7Confident85 Ų8588.3 Ų88.357%0.57447%0.47SS*.  trans-90.9-22.4-174.3-1540000115.8V4 S6C2-V4 PolarHBondContact O-N 2.7Å; C2-S6 PolarHBondContact O-N 3.35Å
3K49.3Very low73.1Confident168 Ų16884.6 Ų84.673%0.7345%0.45SS*.Hα-helixtrans-63.8-44-172.1-73.3-170.3175.2-172.80114.1N5 S6 E7K3-N5 VanDerWaalsContact C-N 3.35Å; K3-N5 PolarHBondContact O-N 3.33Å; K3-S6 WeakPolarHBondContact CA-OG 3.39Å; K3-S6 PolarHBondContact O-N 3.5Å; K3-S6 VanDerWaalsContact O-N 3.16Å; K3-S6 PolarHBondContact O-OG 3.25Å; K3-E7 PolarHBondContact O-N 3.14Å
4V52Low74.3Confident95 Ų9586.3 Ų86.358%0.57647%0.465SS*.Hα-helixtrans-61.3-42.7-176.41800000111.4C2 E7 L8C2-V4 PolarHBondContact O-N 2.7Å; V4-E7 PolarHBondContact O-N 3.2Å; V4-L8 PolarHBondContact O-N 3.38Å; V4-L8 VanDerWaalsContact O-N 3.15Å
5N67.6Low75.6Confident47 Ų4782.3 Ų82.325%0.25144%0.442SS..Hα-helixtrans-72.3-32178.9-62.1-2.1000112.3K3 E7 L8 V9 S198 Y200K3-N5 VanDerWaalsContact C-N 3.35Å; K3-N5 PolarHBondContact O-N 3.33Å; N5-E7 VanDerWaalsContact C-N 3.3Å; N5-E7 PolarHBondContact O-N 2.97Å; N5-L8 PolarHBondContact O-N 3.17Å; N5-V9 WeakPolarHBondContact O-CG2 3.32Å; N5-V9 PolarHBondContact O-N 3.15Å; N5-S198 PolarHBondContact ND2-O 3.45Å; N5-Y200 HydrophobicContact CB-CD2 4.12Å; N5-Y200 HydrophobicContact CB-CE2 3.32Å
6S74.3Confident76.9Confident52 Ų5278.6 Ų78.636%0.36442%0.422SS..Hα-helixtrans-65.8-32.7173.969.30000113C2 K3 S10C2-S6 PolarHBondContact O-N 3.35Å; K3-S6 WeakPolarHBondContact CA-OG 3.39Å; K3-S6 PolarHBondContact O-N 3.5Å; K3-S6 VanDerWaalsContact O-N 3.16Å; K3-S6 PolarHBondContact O-OG 3.25Å; S6-S10 WeakPolarHBondContact O-CB 3.3Å; S6-S10 PolarHBondContact O-N 3.26Å; S6-S10 PolarHBondContact O-OG 3.03Å
7E84.6Confident78.1Confident115 Ų11574 Ų7454%0.53740%0.397SS..Hα-helixtrans-69.1-43.5174.3-73.3170.3-165.900111.1K3 V4 N5 V9 S10 Q11K3-E7 PolarHBondContact O-N 3.14Å; V4-E7 PolarHBondContact O-N 3.2Å; N5-E7 VanDerWaalsContact C-N 3.3Å; N5-E7 PolarHBondContact O-N 2.97Å; E7-V9 PolarHBondContact O-N 3.32Å; E7-S10 WeakPolarHBondContact O-CB 3.47Å; E7-S10 PolarHBondContact O-N 3.21Å; E7-Q11 WeakPolarHBondContact O-CG 3.44Å; E7-Q11 PolarHBondContact O-N 2.79Å
8L88.1Confident79.2Confident67 Ų6769.9 Ų69.935%0.35138%0.375SS..Hα-helixtrans-59.9-46174.9-74.8171.7000112V4 N5 S10 Q11 W12V4-L8 PolarHBondContact O-N 3.38Å; V4-L8 VanDerWaalsContact O-N 3.15Å; N5-L8 PolarHBondContact O-N 3.17Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 2.68Å; L8-Q11 WeakPolarHBondContact O-CB 3.44Å; L8-Q11 PolarHBondContact O-N 2.75Å; L8-W12 HydrophobicContact CB-CZ2 4.33Å; L8-W12 PolarHBondContact O-N 3.16Å
9V87.3Confident80.3Confident17 Ų1766.4 Ų66.410%0.10336%0.356CS..Hα-helixtrans-63-42.5176.4171.60000110.9N5 E7 Q11 W12 L13 Y200 F233N5-V9 WeakPolarHBondContact O-CG2 3.32Å; N5-V9 PolarHBondContact O-N 3.15Å; E7-V9 PolarHBondContact O-N 3.32Å; V9-Q11 VanDerWaalsContact C-N 3.26Å; V9-Q11 PolarHBondContact O-N 2.98Å; V9-W12 HydrophobicContact CG2-CE3 4.08Å; V9-W12 HydrophobicContact CG2-CZ3 4.16Å; V9-W12 PolarHBondContact O-N 3.18Å; V9-W12 VanDerWaalsContact O-N 3.13Å; V9-L13 HydrophobicContact CG1-CD1 4.34Å; V9-L13 HydrophobicContact CG1-CG 4.27Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.16Å; V9-L13 PolarHBondContact O-N 2.92Å; V9-Y200 HydrophobicContact CG2-CD1 3.46Å; V9-Y200 VanDerWaalsContact CG2-CD1 3.46Å; V9-Y200 HydrophobicContact CG2-CD2 4.12Å; V9-Y200 HydrophobicContact CG2-CE1 3.57Å; V9-Y200 HydrophobicContact CG2-CE2 4.27Å; V9-Y200 HydrophobicContact CG2-CG 3.72Å; V9-F233 HydrophobicContact CG1-CB 3.74Å
10S88.2Confident81.2Confident71 Ų7163.5 Ų63.550%0.49734%0.341SS..Hα-helixtrans-58.9-38.2176.5-60.90000112.1S6 E7 L8S6-S10 WeakPolarHBondContact O-CB 3.3Å; S6-S10 PolarHBondContact O-N 3.26Å; S6-S10 PolarHBondContact O-OG 3.03Å; E7-S10 WeakPolarHBondContact O-CB 3.47Å; E7-S10 PolarHBondContact O-N 3.21Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 2.68Å
11Q91.1Very high81.9Confident101 Ų10160.8 Ų60.847%0.47233%0.328SS..Hα-helixtrans-64.3-51.8172.2-68.8171.51100110.9E7 L8 V9 L13 T14 E15E7-Q11 WeakPolarHBondContact O-CG 3.44Å; E7-Q11 PolarHBondContact O-N 2.79Å; L8-Q11 WeakPolarHBondContact O-CB 3.44Å; L8-Q11 PolarHBondContact O-N 2.75Å; V9-Q11 VanDerWaalsContact C-N 3.26Å; V9-Q11 PolarHBondContact O-N 2.98Å; Q11-L13 VanDerWaalsContact C-N 3.26Å; Q11-L13 PolarHBondContact O-N 3.45Å; Q11-T14 PolarHBondContact O-N 3.15Å; Q11-T14 PolarHBondContact O-OG1 3.48Å; Q11-E15 WeakPolarHBondContact O-CG 3.48Å; Q11-E15 PolarHBondContact O-N 2.78Å
12W93.9Very high84.6Confident11 Ų1150 Ų504%0.04228%0.276CS..Hα-helixtrans-54.7-39.4-179.5-64.5-11.5000113.2L8 V9 T14 E15 L125 F174 F233 L268 W334L8-W12 HydrophobicContact CB-CZ2 4.33Å; L8-W12 PolarHBondContact O-N 3.16Å; V9-W12 HydrophobicContact CG2-CE3 4.08Å; V9-W12 HydrophobicContact CG2-CZ3 4.16Å; V9-W12 PolarHBondContact O-N 3.18Å; V9-W12 VanDerWaalsContact O-N 3.13Å; W12-T14 PolarHBondContact O-N 3.29Å; W12-T14 VanDerWaalsContact O-N 3.13Å; W12-E15 PolarHBondContact O-N 2.74Å; W12-L125 HydrophobicContact CZ2-CD1 4.21Å; W12-L125 HydrophobicContact CZ2-CD2 4.48Å; W12-F174 HydrophobicContact CE3-CD1 4.49Å; W12-F174 HydrophobicContact CH2-CB 4.28Å; W12-F174 AromaticContact CH2-CD1 3.64Å; W12-F174 HydrophobicContact CH2-CD1 3.64Å; W12-F174 HydrophobicContact CH2-CG 4.39Å; W12-F174 HydrophobicContact CZ2-CD1 4.17Å; W12-F174 HydrophobicContact CZ3-CB 4.23Å; W12-F174 AromaticContact CZ3-CD1 3.82Å; W12-F174 HydrophobicContact CZ3-CD1 3.82Å; W12-F174 HydrophobicContact CZ3-CG 4.32Å; W12-F233 HydrophobicContact CE3-CD1 4.16Å; W12-F233 HydrophobicContact CE3-CD2 4.3Å; W12-F233 AromaticContact CE3-CE1 3.98Å; W12-F233 HydrophobicContact CE3-CE1 3.98Å; W12-F233 HydrophobicContact CE3-CE2 4.14Å; W12-F233 HydrophobicContact CE3-CG 4.3Å; W12-F233 AromaticContact CE3-CZ 3.97Å; W12-F233 HydrophobicContact CE3-CZ 3.97Å; W12-F233 HydrophobicContact CZ3-CD1 4.19Å; W12-F233 AromaticContact CZ3-CE1 3.89Å; W12-F233 HydrophobicContact CZ3-CE1 3.89Å; W12-F233 HydrophobicContact CZ3-CZ 4.22Å; W12-L268 VanDerWaalsContact O-CD1 3.29Å; W12-L268 WeakPolarHBondContact O-CD1 3.38Å; W12-W334 HydrophobicContact CB-CH2 4.01Å; W12-W334 HydrophobicContact CB-CZ2 3.62Å; W12-W334 HydrophobicContact CD2-CH2 4.18Å; W12-W334 AromaticContact CG-CH2 3.92Å; W12-W334 HydrophobicContact CG-CH2 3.92Å; W12-W334 AromaticContact CG-CZ2 3.88Å; W12-W334 HydrophobicContact CG-CZ2 3.88Å
13L90.1Very high87.1Confident40 Ų4046.8 Ų46.821%0.20925%0.252CS..THydrogen-bonded Turntrans-61.7-17.4176.9-68.4-178.5000114V9 Q11 L268 Q333V9-L13 HydrophobicContact CG1-CD1 4.34Å; V9-L13 HydrophobicContact CG1-CG 4.27Å; V9-L13 VanDerWaalsContact O-CG 3.3Å; V9-L13 WeakPolarHBondContact O-CG 3.16Å; V9-L13 PolarHBondContact O-N 2.92Å; Q11-L13 VanDerWaalsContact C-N 3.26Å; Q11-L13 PolarHBondContact O-N 3.45Å; L13-L268 HydrophobicContact CD2-CB 3.78Å; L13-Q333 PolarHBondContact O-NE2 3.2Å; L13-Q333 PolarHBondContact O-OE1 3.24Å
14T89.9Confident89.4Confident108 Ų10838.9 Ų38.966%0.66322%0.218SC*.THydrogen-bonded Turntrans-106.8-15.9179.766.50000113.5Q11 W12Q11-T14 PolarHBondContact O-N 3.15Å; Q11-T14 PolarHBondContact O-OG1 3.48Å; W12-T14 PolarHBondContact O-N 3.29Å; W12-T14 VanDerWaalsContact O-N 3.13Å
15E93.9Very high91.4Very high26 Ų2635.1 Ų35.112%0.12120%0.196CC..  trans-84.2141-173.8-72.8170.916900112.5Q11 W12 R17 L122 W334Q11-E15 WeakPolarHBondContact O-CG 3.48Å; Q11-E15 PolarHBondContact O-N 2.78Å; W12-E15 PolarHBondContact O-N 2.74Å; E15-R17 HydrophobicContact CB-CG 4.28Å; E15-R17 IonicContact OE1-NH2 3.45Å; E15-R17 IonicContact OE2-CZ 3.27Å; E15-R17 IonicContact OE2-NE 2.72Å; E15-R17 PolarHBondContact OE2-NE 3.16Å; E15-R17 IonicContact OE2-NH2 2.74Å; E15-R17 PolarHBondContact OE2-NH2 3.19Å; E15-L122 HydrophobicContact CB-CD1 3.95Å; E15-L122 HydrophobicContact CG-CD1 3.85Å; E15-L122 HydrophobicContact CG-CD2 4.21Å; E15-W334 PolarHBondContact O-NE1 3.21Å
16I95.5Very high92.8Very high23 Ų2333.3 Ų33.312%0.11819%0.186CC..  trans-93.1119.5166.6-64.2176.1000107.6K311 R313 Q333 M353I16-K311 HydrophobicContact CD1-CB 3.76Å; I16-K311 HydrophobicContact CG1-CB 4.13Å; I16-R313 HydrophobicContact CB-CG 4.2Å; I16-R313 HydrophobicContact CD1-CG 3.83Å; I16-R313 HydrophobicContact CG1-CG 4.46Å; I16-Q333 WeakPolarHBondContact CA-O 3.09Å; I16-M353 HydrophobicContact CG2-CB 4.39Å; I16-M353 HydrophobicContact CG2-CE 3.62Å
17R97.8Very high93.9Very high1 Ų130.8 Ų30.80%0.00417%0.168CC..EExtended strand (participates in β ladder)trans-127.3143.8-178.2-67.7-167.2176.6-104.2-2.1111.8E15 D66 V67 L122 P123 L125 Q333 W334 V335E15-R17 HydrophobicContact CB-CG 4.28Å; E15-R17 IonicContact OE1-NH2 3.45Å; E15-R17 IonicContact OE2-CZ 3.27Å; E15-R17 IonicContact OE2-NE 2.72Å; E15-R17 PolarHBondContact OE2-NE 3.16Å; E15-R17 IonicContact OE2-NH2 2.74Å; E15-R17 PolarHBondContact OE2-NH2 3.19Å; R17-D66 HydrophobicContact CB-CB 3.93Å; R17-D66 HydrophobicContact CG-CB 4.03Å; R17-D66 PolarHBondContact NH1-O 2.92Å; R17-V67 HydrophobicContact CB-CG2 4.35Å; R17-L122 HydrophobicContact CG-CD1 4.23Å; R17-P123 PolarHBondContact NH1-O 3.16Å; R17-L125 VanDerWaalsContact CZ-CD1 3.43Å; R17-Q333 PolarHBondContact N-O 3.1Å; R17-Q333 VanDerWaalsContact N-O 3.17Å; R17-W334 HydrophobicContact CB-CD2 3.97Å; R17-W334 HydrophobicContact CB-CG 3.85Å; R17-W334 HydrophobicContact CG-CD2 4.35Å; R17-W334 HydrophobicContact CG-CZ2 4.14Å; R17-W334 VanDerWaalsContact O-CA 3.28Å; R17-W334 WeakPolarHBondContact O-CA 3.03Å; R17-V335 PolarHBondContact O-N 3.17Å; R17-V335 VanDerWaalsContact O-N 3.1Å
18V98.4Very high94.5Very high0 Ų029 Ų290%016%0.16CC..EExtended strand (participates in β ladder)trans-95.5123.9171.6-177.70000108.8C65 D66 V67 V335 I346 L349 A350 M353 K354V18-C65 CarbonylContact O-C 3.38Å; V18-D66 PolarHBondContact N-OD2 2.8Å; V18-D66 PolarHBondContact O-N 3.09Å; V18-V67 PolarHBondContact O-N 3Å; V18-V335 CarbonylContact C-O 3.55Å; V18-V335 VanDerWaalsContact CA-O 3.3Å; V18-V335 WeakPolarHBondContact CA-O 3.09Å; V18-I346 HydrophobicContact CG1-CG2 3.42Å; V18-I346 VanDerWaalsContact CG1-CG2 3.42Å; V18-L349 HydrophobicContact CG1-CD2 4.24Å; V18-A350 HydrophobicContact CG1-CB 4.35Å; V18-A350 HydrophobicContact CG2-CB 4.04Å; V18-M353 HydrophobicContact CG2-CB 4.29Å; V18-M353 HydrophobicContact CG2-SD 4.03Å; V18-K354 HydrophobicContact CG2-CD 4.11Å; V18-K354 HydrophobicContact CG2-CG 4.35Å
19L98.7Very high94.9Very high3 Ų331.1 Ų31.12%0.01617%0.166CC..BIsolated β-bridgetrans-83.1164173.6-46.5177.5000109.8V67 W202 L270 Y272 W334 V335L19-V67 HydrophobicContact CD2-CB 3.64Å; L19-V67 HydrophobicContact CD2-CG1 4.22Å; L19-V67 HydrophobicContact CD2-CG2 3.66Å; L19-W202 HydrophobicContact CD1-CH2 4.33Å; L19-W202 HydrophobicContact CD2-CH2 3.8Å; L19-W202 HydrophobicContact CD2-CZ3 4.03Å; L19-L270 HydrophobicContact CD1-CD1 4.22Å; L19-Y272 HydrophobicContact CD1-CD1 3.61Å; L19-Y272 HydrophobicContact CD1-CE1 4.24Å; L19-Y272 HydrophobicContact CD1-CG 4.17Å; L19-W334 HydrophobicContact CD1-CB 4.44Å; L19-W334 HydrophobicContact CD2-CB 4.07Å; L19-W334 HydrophobicContact CD2-CE3 4.06Å; L19-W334 HydrophobicContact CG-CB 4.33Å; L19-V335 PolarHBondContact N-O 2.71Å
20D98.5Very high95.3Very high9 Ų933.3 Ų33.35%0.04818%0.177CC..  trans-70.5-173.1173.362.5-10.1000113F60 C65 V67 I68 S69 G337D20-F60 HydrophobicContact CB-CB 4.14Å; D20-F60 HydrophobicContact CB-CD1 4.11Å; D20-F60 HydrophobicContact CB-CD2 4.29Å; D20-F60 HydrophobicContact CB-CG 3.92Å; D20-C65 HydrophobicContact CB-CB 4.37Å; D20-V67 PolarHBondContact N-O 2.73Å; D20-V67 VanDerWaalsContact N-O 3.1Å; D20-I68 HydrophobicContact CB-CG2 4.39Å; D20-I68 WeakPolarHBondContact OD2-CA 3.49Å; D20-S69 PolarHBondContact OD1-OG 3.1Å; D20-S69 PolarHBondContact OD2-N 2.85Å; D20-G337 PolarHBondContact O-N 2.8Å; D20-G337 VanDerWaalsContact O-O 3.13Å
21G97.1Very high95.8Very high7 Ų730.6 Ų30.67%0.07216%0.158CC..  trans-120.6-154-17600000112.4F23 F60 G337 V341G21-F23 PolarHBondContact O-N 3.46Å; G21-F60 VanDerWaalsContact CA-CE1 3.47Å; G21-G337 WeakPolarHBondContact CA-O 3.45Å; G21-V341 CarbonylContact C-O 3.41Å; G21-V341 WeakPolarHBondContact CA-O 3.35Å
22G95.8Very high96Very high5 Ų534.1 Ų34.15%0.05218%0.18CC..  trans-69.884.5-178.600000113G24 T25 E26 C338 V341G22-G24 VanDerWaalsContact C-N 3.25Å; G22-G24 PolarHBondContact O-N 2.9Å; G22-T25 WeakPolarHBondContact O-CB 3.3Å; G22-T25 PolarHBondContact O-N 3.22Å; G22-E26 PolarHBondContact O-N 3.13Å; G22-C338 WeakPolarHBondContact CA-O 3.5Å; G22-C338 PolarHBondContact N-O 3.29Å; G22-V341 PolarHBondContact N-O 2.87Å
23F98.1Very high96Very high16 Ų1636.6 Ų36.67%0.0719%0.194CC..Hα-helixtrans-55.3-43.1174.3-165.6-74.2000111.5G21 T25 E26 S27 V53 I56 H57 N71G21-F23 PolarHBondContact O-N 3.46Å; F23-T25 VanDerWaalsContact C-N 3.31Å; F23-T25 PolarHBondContact O-N 2.94Å; F23-E26 PolarHBondContact O-N 3.13Å; F23-S27 WeakPolarHBondContact CD1-OG 3.44Å; F23-S27 WeakPolarHBondContact CE1-OG 3.38Å; F23-S27 WeakPolarHBondContact O-CB 3.3Å; F23-S27 PolarHBondContact O-N 3.2Å; F23-S27 PolarHBondContact O-OG 2.74Å; F23-V53 HydrophobicContact CZ-CB 4.23Å; F23-V53 HydrophobicContact CZ-CG1 3.83Å; F23-V53 HydrophobicContact CZ-CG2 4.41Å; F23-I56 HydrophobicContact CD1-CG2 4.39Å; F23-I56 HydrophobicContact CD2-CB 4.39Å; F23-I56 HydrophobicContact CD2-CG2 3.52Å; F23-I56 HydrophobicContact CE1-CB 4.49Å; F23-I56 HydrophobicContact CE1-CD1 4.02Å; F23-I56 HydrophobicContact CE1-CG2 4.25Å; F23-I56 HydrophobicContact CE2-CB 3.75Å; F23-I56 HydrophobicContact CE2-CG2 3.38Å; F23-I56 HydrophobicContact CG-CG2 4.02Å; F23-I56 HydrophobicContact CZ-CB 3.79Å; F23-I56 HydrophobicContact CZ-CD1 4.07Å; F23-I56 HydrophobicContact CZ-CG2 3.76Å; F23-H57 AromaticContact CD2-CE1 3.88Å; F23-H57 AromaticContact CE2-CD2 4Å; F23-H57 AromaticContact CE2-CE1 3.44Å; F23-H57 VanDerWaalsContact CE2-CE1 3.44Å; F23-H57 WeakPolarHBondContact CE2-CE1 3.43Å; F23-H57 AromaticContact CE2-ND1 3.7Å; F23-H57 AromaticContact CE2-NE2 3.64Å; F23-N71 HydrophobicContact CD1-CB 4Å; F23-N71 WeakPolarHBondContact CD1-OD1 3.39Å; F23-N71 HydrophobicContact CE1-CB 3.73Å; F23-N71 WeakPolarHBondContact CE1-ND2 3.48Å; F23-N71 HydrophobicContact CE2-CB 4.38Å; F23-N71 HydrophobicContact CG-CB 4.47Å; F23-N71 HydrophobicContact CZ-CB 3.94Å
24G95.9Very high96.2Very high2 Ų241 Ų412%0.02121%0.213CC..Hα-helixtrans-61.2-36.8175.300000113.3G22 S27 Q28G22-G24 VanDerWaalsContact C-N 3.25Å; G22-G24 PolarHBondContact O-N 2.9Å; G24-S27 WeakPolarHBondContact O-CB 3.45Å; G24-S27 PolarHBondContact O-N 2.85Å; G24-Q28 WeakPolarHBondContact O-CG 3.38Å; G24-Q28 PolarHBondContact O-N 2.89Å
25T94.7Very high96.4Very high17 Ų1736 Ų3610%0.10418%0.182CC..Hα-helixtrans-66.7-45.8175.1-58.50000111.5G22 F23 S27 Q28 K29 N340 R342G22-T25 WeakPolarHBondContact O-CB 3.3Å; G22-T25 PolarHBondContact O-N 3.22Å; F23-T25 VanDerWaalsContact C-N 3.31Å; F23-T25 PolarHBondContact O-N 2.94Å; T25-S27 VanDerWaalsContact C-N 3.26Å; T25-S27 PolarHBondContact O-N 3.09Å; T25-Q28 PolarHBondContact O-N 3.04Å; T25-K29 PolarHBondContact O-N 3.24Å; T25-N340 WeakPolarHBondContact OG1-CA 3.29Å; T25-N340 PolarHBondContact OG1-N 3Å; T25-N340 PolarHBondContact OG1-OD1 2.94Å; T25-R342 HydrophobicContact CG2-CG 4.4Å
26E97.7Very high96.2Very high8 Ų839.4 Ų39.44%0.03720%0.202CC..Hα-helixtrans-66.7-32.5177-73.1-66.7110.800111.5G22 F23 K29 L30 I56 F60 R342 P343G22-E26 PolarHBondContact O-N 3.13Å; F23-E26 PolarHBondContact O-N 3.13Å; E26-K29 PolarHBondContact O-N 3.31Å; E26-L30 WeakPolarHBondContact O-CB 3.32Å; E26-L30 VanDerWaalsContact O-CG 3.31Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 2.78Å; E26-I56 HydrophobicContact CB-CD1 4.3Å; E26-I56 HydrophobicContact CB-CG1 4.18Å; E26-I56 HydrophobicContact CB-CG2 3.83Å; E26-F60 HydrophobicContact CG-CE2 4.27Å; E26-F60 HydrophobicContact CG-CZ 4.16Å; E26-R342 IonicContact OE1-CZ 2.7Å; E26-R342 IonicContact OE1-NE 3.72Å; E26-R342 IonicContact OE1-NH2 2.95Å; E26-R342 PolarHBondContact OE1-NH2 3.43Å; E26-R342 IonicContact OE2-NH2 2.88Å; E26-P343 VanDerWaalsContact CD-CD 3.49Å; E26-P343 HydrophobicContact CG-CG 4.18Å
27S97.9Very high95.8Very high0 Ų041.3 Ų41.30%023%0.227CC..Hα-helixtrans-60.3-48.7171.6-59.40000111.5F23 G24 T25 K29 L30 S31 L45F23-S27 WeakPolarHBondContact CD1-OG 3.44Å; F23-S27 WeakPolarHBondContact CE1-OG 3.38Å; F23-S27 WeakPolarHBondContact O-CB 3.3Å; F23-S27 PolarHBondContact O-N 3.2Å; F23-S27 PolarHBondContact O-OG 2.74Å; G24-S27 WeakPolarHBondContact O-CB 3.45Å; G24-S27 PolarHBondContact O-N 2.85Å; T25-S27 VanDerWaalsContact C-N 3.26Å; T25-S27 PolarHBondContact O-N 3.09Å; S27-K29 VanDerWaalsContact C-N 3.32Å; S27-K29 PolarHBondContact O-N 3.14Å; S27-L30 PolarHBondContact O-N 3.27Å; S27-S31 WeakPolarHBondContact O-CB 3.39Å; S27-S31 PolarHBondContact O-N 3.17Å; S27-L45 WeakPolarHBondContact OG-CD1 3.48Å
28Q95.9Very high95.6Very high78 Ų7843.6 Ų43.636%0.36424%0.238SC..Hα-helixtrans-62.4-38.3177.1-72.4167.730.600112.7G24 T25 I35 D36G24-Q28 WeakPolarHBondContact O-CG 3.38Å; G24-Q28 PolarHBondContact O-N 2.89Å; T25-Q28 PolarHBondContact O-N 3.04Å; Q28-I35 HydrophobicContact CG-CB 3.71Å; Q28-I35 HydrophobicContact CG-CG1 4.37Å; Q28-I35 HydrophobicContact CG-CG2 3.88Å; Q28-D36 HydrophobicContact CG-CB 4.49Å
29K95.8Very high95.3Very high111 Ų11146 Ų4648%0.48325%0.25SS..Hα-helixtrans-68.3-41.5179.9177.5-172.8178.8-165.60112.5T25 E26 S27T25-K29 PolarHBondContact O-N 3.24Å; E26-K29 PolarHBondContact O-N 3.31Å; S27-K29 VanDerWaalsContact C-N 3.32Å; S27-K29 PolarHBondContact O-N 3.14Å
30L97.4Very high95.2Very high62 Ų6245.8 Ų45.833%0.32525%0.25SC..Hα-helixtrans-101.9-22.7-165.7-62.7173.9000113.7E26 S27 L52 I56E26-L30 WeakPolarHBondContact O-CB 3.32Å; E26-L30 VanDerWaalsContact O-CG 3.31Å; E26-L30 WeakPolarHBondContact O-CG 3.4Å; E26-L30 PolarHBondContact O-N 2.78Å; S27-L30 PolarHBondContact O-N 3.27Å; L30-L52 HydrophobicContact CB-CD1 3.7Å; L30-L52 HydrophobicContact CB-CD2 4.38Å; L30-L52 HydrophobicContact CD1-CD1 4.09Å; L30-I56 HydrophobicContact CD1-CG1 3.94Å
31S97.1Very high95.1Very high15 Ų1547.5 Ų47.511%0.10526%0.255CS..  trans-87.3147.6179-167.40000111.6S27 L33S27-S31 WeakPolarHBondContact O-CB 3.39Å; S27-S31 PolarHBondContact O-N 3.17Å; S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 WeakPolarHBondContact OG-CB 3.26Å; S31-L33 PolarHBondContact OG-N 3.44Å; S31-L33 VanDerWaalsContact OG-N 3.11Å
32N95.3Very high95.1Very high174 Ų17447.4 Ų47.493%0.9325%0.253SS*.SBendtrans-85.9-1.3167.3-63.8-41.1000112.5
33L95.2Very high95.1Very high63 Ų6347.2 Ų47.233%0.3325%0.251SS..SBendtrans-87.2152.9-178.8-60.1170.9000111.1S31 I35 L45 D48S31-L33 VanDerWaalsContact C-N 3.28Å; S31-L33 WeakPolarHBondContact OG-CB 3.26Å; S31-L33 PolarHBondContact OG-N 3.44Å; S31-L33 VanDerWaalsContact OG-N 3.11Å; L33-I35 HydrophobicContact CB-CD1 4.2Å; L33-I35 PolarHBondContact O-N 3.17Å; L33-L45 HydrophobicContact CD1-CD2 3.86Å; L33-D48 HydrophobicContact CD1-CB 3.43Å; L33-D48 VanDerWaalsContact CD1-CB 3.43Å
34Q94.1Very high95.1Very high132 Ų13248.2 Ų48.262%0.61725%0.254SS*.  trans-68.7103168.2-171.167.436.100109.3D36 H38 R44Q34-D36 PolarHBondContact NE2-O 3.47Å; Q34-H38 WeakPolarHBondContact O-CB 3.35Å; Q34-R44 PolarHBondContact O-NH1 3.27Å
35I94.8Very high95.2Very high3 Ų348.1 Ų48.12%0.01525%0.254CS..  trans-89.1-58.2174.8-54.8-51.9000110.1Q28 L33 H38 W41 R44 L45Q28-I35 HydrophobicContact CG-CB 3.71Å; Q28-I35 HydrophobicContact CG-CG1 4.37Å; Q28-I35 HydrophobicContact CG-CG2 3.88Å; L33-I35 HydrophobicContact CB-CD1 4.2Å; L33-I35 PolarHBondContact O-N 3.17Å; I35-H38 WeakPolarHBondContact O-CB 3.39Å; I35-H38 PolarHBondContact O-N 3.42Å; I35-W41 HydrophobicContact CG2-CG 4.36Å; I35-R44 HydrophobicContact CD1-CG 4.08Å; I35-L45 HydrophobicContact CD1-CD1 4.34Å; I35-L45 HydrophobicContact CD1-CD2 3.97Å; I35-L45 HydrophobicContact CD1-CG 4.06Å
36D89Confident95.4Very high98 Ų9847.4 Ų47.452%0.52425%0.249SC..THydrogen-bonded Turntrans-65.6138.4-178.8-170.327.5000111.4Q28 Q34 H38Q28-D36 HydrophobicContact CG-CB 4.49Å; Q34-D36 PolarHBondContact NE2-O 3.47Å; D36-H38 PolarHBondContact O-N 2.92Å
37G86.9Confident95.4Very high64 Ų6450.7 Ų50.766%0.6627%0.265SS*.THydrogen-bonded Turntrans71.1-4.7-175.100000116.3
38H93.5Very high95.4Very high48 Ų4853.7 Ų53.722%0.22228%0.281CS..  trans-76.7141.7171.6-169.7-94.1000110.7Q34 I35 D36 A40 W41 R44Q34-H38 WeakPolarHBondContact O-CB 3.35Å; I35-H38 WeakPolarHBondContact O-CB 3.39Å; I35-H38 PolarHBondContact O-N 3.42Å; D36-H38 PolarHBondContact O-N 2.92Å; H38-A40 VanDerWaalsContact C-N 3.28Å; H38-A40 PolarHBondContact ND1-N 3.02Å; H38-A40 PolarHBondContact O-N 3.45Å; H38-W41 WeakPolarHBondContact O-CA 3.39Å; H38-W41 PolarHBondContact O-N 3.4Å; H38-R44 PolarHBondContact CD2-NH1 3.05Å; H38-R44 VanDerWaalsContact CD2-NH1 3.31Å
39L93.1Very high95.5Very high50 Ų5052.7 Ų52.726%0.26228%0.279SS..THydrogen-bonded Turntrans-62-32.9-175.1-179.161.1000113.6T79 K82 A83 A138L39-T79 HydrophobicContact CD1-CG2 4.38Å; L39-T79 HydrophobicContact CG-CG2 4.22Å; L39-K82 HydrophobicContact CD2-CB 4.26Å; L39-K82 HydrophobicContact CD2-CD 3.91Å; L39-K82 HydrophobicContact CD2-CG 3.9Å; L39-A83 HydrophobicContact CB-CB 3.72Å; L39-A83 HydrophobicContact CD2-CB 3.93Å; L39-A83 HydrophobicContact CG-CB 3.83Å; L39-A138 HydrophobicContact CD1-CB 3.55Å
40A95.2Very high95.7Very high0 Ų049.4 Ų49.40%027%0.269CS..THydrogen-bonded Turntrans-88.4-4.8172.700000113.6H38 S42 S43 R44 L80 A83 L84H38-A40 VanDerWaalsContact C-N 3.28Å; H38-A40 PolarHBondContact ND1-N 3.02Å; H38-A40 PolarHBondContact O-N 3.45Å; A40-S42 PolarHBondContact O-N 3.14Å; A40-S43 WeakPolarHBondContact O-CB 3.2Å; A40-S43 PolarHBondContact O-N 3.34Å; A40-S43 PolarHBondContact O-OG 2.69Å; A40-R44 HydrophobicContact CB-CB 4.07Å; A40-L80 HydrophobicContact CB-CD2 3.99Å; A40-A83 HydrophobicContact CB-CB 3.66Å; A40-L84 HydrophobicContact CB-CD2 4.19Å; A40-L84 HydrophobicContact CB-CG 4.42Å
41W95.8Very high95.7Very high45 Ų4551.7 Ų51.717%0.1728%0.278CS..G310 helixtrans43.6-129.4-175.7-169.450.6000112.5I35 H38 S43 R44 Y73 Q74I35-W41 HydrophobicContact CG2-CG 4.36Å; H38-W41 WeakPolarHBondContact O-CA 3.39Å; H38-W41 PolarHBondContact O-N 3.4Å; W41-S43 VanDerWaalsContact C-N 3.31Å; W41-S43 PolarHBondContact O-N 2.95Å; W41-R44 WeakPolarHBondContact O-CG 3.41Å; W41-R44 PolarHBondContact O-N 3.23Å; W41-Y73 HydrophobicContact CE3-CD1 4.37Å; W41-Y73 AromaticContact CZ3-CD1 3.93Å; W41-Y73 HydrophobicContact CZ3-CD1 3.93Å; W41-Q74 VanDerWaalsContact CG-OE1 3.24Å
42S97.3Very high95.8Very high4 Ų451.5 Ų51.53%0.02828%0.276CS..G310 helixtrans-69.1-24.1178.958.10000113.9A40 R44 L45 N71A40-S42 PolarHBondContact O-N 3.14Å; S42-R44 PolarHBondContact O-N 3.12Å; S42-R44 VanDerWaalsContact O-N 3.13Å; S42-L45 WeakPolarHBondContact O-CB 3.35Å; S42-L45 WeakPolarHBondContact O-CG 3.36Å; S42-L45 PolarHBondContact O-N 2.64Å; S42-N71 VanDerWaalsContact CB-OD1 3.22Å; S42-N71 WeakPolarHBondContact CB-OD1 3.38Å; S42-N71 PolarHBondContact O-ND2 3.38Å; S42-N71 PolarHBondContact OG-OD1 3.31Å
43S97.5Very high96Very high1 Ų143.2 Ų43.21%0.00723%0.231CC..G310 helixtrans-66-14.8179.672.20000113.2A40 W41 L45 L46 N71 L80A40-S43 WeakPolarHBondContact O-CB 3.2Å; A40-S43 PolarHBondContact O-N 3.34Å; A40-S43 PolarHBondContact O-OG 2.69Å; W41-S43 VanDerWaalsContact C-N 3.31Å; W41-S43 PolarHBondContact O-N 2.95Å; S43-L45 PolarHBondContact O-N 3.3Å; S43-L46 VanDerWaalsContact O-CB 3.22Å; S43-L46 WeakPolarHBondContact O-CB 3.5Å; S43-L46 WeakPolarHBondContact O-CD1 3.38Å; S43-L46 WeakPolarHBondContact O-CG 3.38Å; S43-L46 PolarHBondContact O-N 2.95Å; S43-L46 VanDerWaalsContact O-N 3.14Å; S43-N71 VanDerWaalsContact CB-O 3.31Å; S43-N71 WeakPolarHBondContact CB-O 3.48Å; S43-L80 WeakPolarHBondContact OG-CD2 3.13Å
44R97.7Very high96.1Very high37 Ų3740.4 Ų40.414%0.1422%0.216CC..G310 helixtrans-58.9-30.6169.777.1179.8-71.9167.47.8113.1Q34 I35 H38 A40 W41 S42 L46 M47 D48 L84Q34-R44 PolarHBondContact O-NH1 3.27Å; I35-R44 HydrophobicContact CD1-CG 4.08Å; H38-R44 PolarHBondContact CD2-NH1 3.05Å; H38-R44 VanDerWaalsContact CD2-NH1 3.31Å; A40-R44 HydrophobicContact CB-CB 4.07Å; W41-R44 WeakPolarHBondContact O-CG 3.41Å; W41-R44 PolarHBondContact O-N 3.23Å; S42-R44 PolarHBondContact O-N 3.12Å; S42-R44 VanDerWaalsContact O-N 3.13Å; R44-L46 PolarHBondContact O-N 3.44Å; R44-M47 PolarHBondContact O-N 2.93Å; R44-D48 IonicContact CZ-OD2 3.31Å; R44-D48 VanDerWaalsContact CZ-OD2 3.31Å; R44-D48 IonicContact NE-OD2 2.83Å; R44-D48 PolarHBondContact NE-OD2 2.77Å; R44-D48 IonicContact NH2-OD2 2.86Å; R44-D48 PolarHBondContact NH2-OD2 2.93Å; R44-D48 PolarHBondContact O-N 2.75Å; R44-L84 HydrophobicContact CB-CD2 3.92Å
45L98.4Very high96.3Very high0 Ų040.2 Ų40.20%021%0.214CC..Hα-helixtrans-65-19.6-179.8-63.8-179.3000112.2S27 L33 I35 S42 S43 M47 D49 L52 V53S27-L45 WeakPolarHBondContact OG-CD1 3.48Å; L33-L45 HydrophobicContact CD1-CD2 3.86Å; I35-L45 HydrophobicContact CD1-CD1 4.34Å; I35-L45 HydrophobicContact CD1-CD2 3.97Å; I35-L45 HydrophobicContact CD1-CG 4.06Å; S42-L45 WeakPolarHBondContact O-CB 3.35Å; S42-L45 WeakPolarHBondContact O-CG 3.36Å; S42-L45 PolarHBondContact O-N 2.64Å; S43-L45 PolarHBondContact O-N 3.3Å; L45-M47 PolarHBondContact O-N 2.72Å; L45-D49 HydrophobicContact CD2-CB 4.11Å; L45-D49 CarbonylContact O-C 3.23Å; L45-D49 PolarHBondContact O-N 2.76Å; L45-L52 HydrophobicContact CD1-CD2 4.05Å; L45-L52 HydrophobicContact CD1-CG 4.46Å; L45-L52 HydrophobicContact CD2-CD2 4.34Å; L45-V53 HydrophobicContact CB-CG2 3.53Å
46L98.3Very high96.5Very high3 Ų340 Ų402%0.01621%0.213CC..Hα-helixtrans-60.1-26.8172.8-59.2173.8000112.6S43 R44 V53 N71 T72 L94 A98 L101S43-L46 VanDerWaalsContact O-CB 3.22Å; S43-L46 WeakPolarHBondContact O-CB 3.5Å; S43-L46 WeakPolarHBondContact O-CD1 3.38Å; S43-L46 WeakPolarHBondContact O-CG 3.38Å; S43-L46 PolarHBondContact O-N 2.95Å; S43-L46 VanDerWaalsContact O-N 3.14Å; R44-L46 PolarHBondContact O-N 3.44Å; L46-V53 HydrophobicContact CD2-CG1 4.31Å; L46-V53 HydrophobicContact CD2-CG2 4.39Å; L46-N71 HydrophobicContact CD2-CB 4.38Å; L46-T72 HydrophobicContact CD1-CG2 4.4Å; L46-L94 HydrophobicContact CB-CB 4.4Å; L46-L94 HydrophobicContact CB-CD2 4.35Å; L46-A98 HydrophobicContact CD1-CB 3.76Å; L46-A98 HydrophobicContact CD2-CB 3.45Å; L46-A98 VanDerWaalsContact CD2-CB 3.45Å; L46-A98 HydrophobicContact CG-CB 4.25Å; L46-L101 HydrophobicContact CD2-CD1 4.13Å
47M98Very high97Very high76 Ų7635.4 Ų35.437%0.37419%0.188SC..Hα-helixtrans-101.9-47.8175.1-172.8178.374.700111.1R44 L45 L84 I86 L94R44-M47 PolarHBondContact O-N 2.93Å; L45-M47 PolarHBondContact O-N 2.72Å; M47-L84 HydrophobicContact CB-CD1 4.36Å; M47-L84 HydrophobicContact CE-CB 3.93Å; M47-L84 HydrophobicContact CE-CD1 4.16Å; M47-L84 HydrophobicContact CE-CD2 4.01Å; M47-L84 HydrophobicContact CE-CG 4.24Å; M47-L84 HydrophobicContact SD-CB 4.3Å; M47-L84 HydrophobicContact SD-CD1 4.2Å; M47-I86 HydrophobicContact SD-CG2 4.05Å; M47-L94 HydrophobicContact CB-CD1 3.92Å; M47-L94 HydrophobicContact CB-CD2 3.88Å; M47-L94 HydrophobicContact CG-CD2 4.44Å
48D97.4Very high97.5Very high63 Ų6334 Ų3434%0.33716%0.164SC..Hα-helixtrans-81.5-31.9-167-64.5-25.5000113.4L33 R44L33-D48 HydrophobicContact CD1-CB 3.43Å; L33-D48 VanDerWaalsContact CD1-CB 3.43Å; R44-D48 IonicContact CZ-OD2 3.31Å; R44-D48 VanDerWaalsContact CZ-OD2 3.31Å; R44-D48 IonicContact NE-OD2 2.83Å; R44-D48 PolarHBondContact NE-OD2 2.77Å; R44-D48 IonicContact NH2-OD2 2.86Å; R44-D48 PolarHBondContact NH2-OD2 2.93Å; R44-D48 PolarHBondContact O-N 2.75Å
49D98.2Very high97.7Very high58 Ų5833.2 Ų33.231%0.3116%0.164SC..  trans-154.772-179.7-165.4-14.8000112.4L45 E51 L52 V53L45-D49 HydrophobicContact CD2-CB 4.11Å; L45-D49 CarbonylContact O-C 3.23Å; L45-D49 PolarHBondContact O-N 2.76Å; D49-E51 PolarHBondContact O-N 3.49Å; D49-L52 HydrophobicContact CB-CB 4Å; D49-L52 PolarHBondContact O-N 2.79Å; D49-L52 WeakPolarHBondContact OD1-CB 3.07Å; D49-L52 PolarHBondContact OD1-N 2.74Å; D49-L52 VanDerWaalsContact OD2-CB 3.29Å; D49-L52 WeakPolarHBondContact OD2-CB 3.46Å; D49-V53 PolarHBondContact O-N 3.03Å
50P98.5Very high98Very high42 Ų4230.9 Ų30.927%0.27315%0.151SC..Hα-helixtrans-59.4-30.3179.9-26.135.9000113.7V53 V54 L101P50-V53 WeakPolarHBondContact O-CB 3.25Å; P50-V53 PolarHBondContact O-N 3.43Å; P50-V54 PolarHBondContact O-N 2.79Å; P50-V54 VanDerWaalsContact O-N 3.16Å; P50-L101 HydrophobicContact CB-CD1 3.85Å; P50-L101 HydrophobicContact CB-CD2 3.93Å
51E98.7Very high98.1Very high110 Ų11031 Ų3151%0.51415%0.152SC..Hα-helixtrans-70.1-37.8179-66.9-54.7123.200111.6D49 V53 V54 K55 R104D49-E51 PolarHBondContact O-N 3.49Å; E51-V53 VanDerWaalsContact C-N 3.3Å; E51-V53 PolarHBondContact O-N 2.92Å; E51-V54 PolarHBondContact O-N 2.73Å; E51-K55 WeakPolarHBondContact O-CB 3.21Å; E51-K55 PolarHBondContact O-N 3.44Å; E51-R104 IonicContact OE1-CZ 2.93Å; E51-R104 VanDerWaalsContact OE1-CZ 3.23Å; E51-R104 IonicContact OE1-NH1 3.93Å; E51-R104 PolarHBondContact OE1-NH1 3.32Å; E51-R104 IonicContact OE1-NH2 3.2Å; E51-R104 PolarHBondContact OE1-NH2 2.96Å; E51-R104 IonicContact OE2-CZ 3.94Å; E51-R104 IonicContact OE2-NH2 2.94Å; E51-R104 PolarHBondContact OE2-NH2 3.47Å
52L98.7Very high98.1Very high11 Ų1134.2 Ų34.26%0.05816%0.164CC..Hα-helixtrans-63.1-37.2171.1179.659.2000111.9L30 L45 D49 V54 K55 I56L30-L52 HydrophobicContact CB-CD1 3.7Å; L30-L52 HydrophobicContact CB-CD2 4.38Å; L30-L52 HydrophobicContact CD1-CD1 4.09Å; L45-L52 HydrophobicContact CD1-CD2 4.05Å; L45-L52 HydrophobicContact CD1-CG 4.46Å; L45-L52 HydrophobicContact CD2-CD2 4.34Å; D49-L52 HydrophobicContact CB-CB 4Å; D49-L52 PolarHBondContact O-N 2.79Å; D49-L52 WeakPolarHBondContact OD1-CB 3.07Å; D49-L52 PolarHBondContact OD1-N 2.74Å; D49-L52 VanDerWaalsContact OD2-CB 3.29Å; D49-L52 WeakPolarHBondContact OD2-CB 3.46Å; L52-V54 VanDerWaalsContact C-N 3.35Å; L52-V54 PolarHBondContact O-N 3.38Å; L52-K55 HydrophobicContact CD1-CD 4.22Å; L52-K55 WeakPolarHBondContact O-CB 3.28Å; L52-K55 PolarHBondContact O-N 3.22Å; L52-I56 HydrophobicContact CD1-CD1 4.14Å; L52-I56 HydrophobicContact CD1-CG1 4.14Å; L52-I56 HydrophobicContact CG-CD1 3.97Å; L52-I56 HydrophobicContact CG-CG1 4.43Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.46Å; L52-I56 PolarHBondContact O-N 3.17Å
53V98.8Very high98Very high0 Ų034 Ų340%016%0.163CC..Hα-helixtrans-59.2-48175.6173.30000110.7F23 L45 L46 D49 P50 E51 K55 I56 H57 L101F23-V53 HydrophobicContact CZ-CB 4.23Å; F23-V53 HydrophobicContact CZ-CG1 3.83Å; F23-V53 HydrophobicContact CZ-CG2 4.41Å; L45-V53 HydrophobicContact CB-CG2 3.53Å; L46-V53 HydrophobicContact CD2-CG1 4.31Å; L46-V53 HydrophobicContact CD2-CG2 4.39Å; D49-V53 PolarHBondContact O-N 3.03Å; P50-V53 WeakPolarHBondContact O-CB 3.25Å; P50-V53 PolarHBondContact O-N 3.43Å; E51-V53 VanDerWaalsContact C-N 3.3Å; E51-V53 PolarHBondContact O-N 2.92Å; V53-K55 PolarHBondContact O-N 3.13Å; V53-I56 PolarHBondContact O-N 3.1Å; V53-H57 PolarHBondContact O-CD2 2.98Å; V53-H57 VanDerWaalsContact O-CD2 3.3Å; V53-H57 PolarHBondContact O-N 3.17Å; V53-L101 HydrophobicContact CB-CD1 4.02Å; V53-L101 HydrophobicContact CG1-CB 4.09Å; V53-L101 HydrophobicContact CG1-CD1 3.87Å; V53-L101 HydrophobicContact CG2-CD1 4.5Å
54V98.8Very high98Very high3 Ų334 Ų342%0.01816%0.163CC..Hα-helixtrans-62.7-43.5176.5171.70000111.3P50 E51 L52 I56 H57 K58 L101 R104 A105P50-V54 PolarHBondContact O-N 2.79Å; P50-V54 VanDerWaalsContact O-N 3.16Å; E51-V54 PolarHBondContact O-N 2.73Å; L52-V54 VanDerWaalsContact C-N 3.35Å; L52-V54 PolarHBondContact O-N 3.38Å; V54-I56 VanDerWaalsContact C-N 3.3Å; V54-I56 PolarHBondContact O-N 2.81Å; V54-H57 PolarHBondContact O-N 2.74Å; V54-K58 HydrophobicContact CG1-CD 3.73Å; V54-K58 HydrophobicContact CG1-CG 4.24Å; V54-K58 VanDerWaalsContact O-CG 3.22Å; V54-K58 WeakPolarHBondContact O-CG 3.43Å; V54-K58 PolarHBondContact O-N 3.04Å; V54-L101 HydrophobicContact CG2-CB 3.74Å; V54-L101 HydrophobicContact CG2-CD2 3.66Å; V54-L101 HydrophobicContact CG2-CG 4.23Å; V54-L101 WeakPolarHBondContact CG2-O 3.3Å; V54-R104 VanDerWaalsContact CG2-NH2 3.3Å; V54-A105 HydrophobicContact CG1-CB 4.01Å
55K98.5Very high97.9Very high128 Ų12832.2 Ų32.256%0.55716%0.156SC*.Hα-helixtrans-57.7-40.7176-178-178.7176.1-176.50112.6E51 L52 V53 K58 S59E51-K55 WeakPolarHBondContact O-CB 3.21Å; E51-K55 PolarHBondContact O-N 3.44Å; L52-K55 HydrophobicContact CD1-CD 4.22Å; L52-K55 WeakPolarHBondContact O-CB 3.28Å; L52-K55 PolarHBondContact O-N 3.22Å; V53-K55 PolarHBondContact O-N 3.13Å; K55-K58 PolarHBondContact O-N 2.94Å; K55-S59 PolarHBondContact O-N 3.48Å
56I98.7Very high97.9Very high0 Ų032.2 Ų32.20%016%0.156CC..Hα-helixtrans-68.6-44.7177.5-66.8166.6000110.7F23 E26 L30 L52 V53 V54 K58 S59 F60F23-I56 HydrophobicContact CD1-CG2 4.39Å; F23-I56 HydrophobicContact CD2-CB 4.39Å; F23-I56 HydrophobicContact CD2-CG2 3.52Å; F23-I56 HydrophobicContact CE1-CB 4.49Å; F23-I56 HydrophobicContact CE1-CD1 4.02Å; F23-I56 HydrophobicContact CE1-CG2 4.25Å; F23-I56 HydrophobicContact CE2-CB 3.75Å; F23-I56 HydrophobicContact CE2-CG2 3.38Å; F23-I56 HydrophobicContact CG-CG2 4.02Å; F23-I56 HydrophobicContact CZ-CB 3.79Å; F23-I56 HydrophobicContact CZ-CD1 4.07Å; F23-I56 HydrophobicContact CZ-CG2 3.76Å; E26-I56 HydrophobicContact CB-CD1 4.3Å; E26-I56 HydrophobicContact CB-CG1 4.18Å; E26-I56 HydrophobicContact CB-CG2 3.83Å; L30-I56 HydrophobicContact CD1-CG1 3.94Å; L52-I56 HydrophobicContact CD1-CD1 4.14Å; L52-I56 HydrophobicContact CD1-CG1 4.14Å; L52-I56 HydrophobicContact CG-CD1 3.97Å; L52-I56 HydrophobicContact CG-CG1 4.43Å; L52-I56 VanDerWaalsContact O-CG1 3.31Å; L52-I56 WeakPolarHBondContact O-CG1 3.46Å; L52-I56 PolarHBondContact O-N 3.17Å; V53-I56 PolarHBondContact O-N 3.1Å; V54-I56 VanDerWaalsContact C-N 3.3Å; V54-I56 PolarHBondContact O-N 2.81Å; I56-K58 VanDerWaalsContact C-N 3.31Å; I56-K58 PolarHBondContact O-N 2.82Å; I56-S59 PolarHBondContact O-N 3.44Å; I56-S59 VanDerWaalsContact O-N 3.16Å; I56-S59 PolarHBondContact O-OG 2.74Å; I56-F60 HydrophobicContact CG2-CD2 4.11Å; I56-F60 HydrophobicContact CG2-CE2 3.9Å; I56-F60 WeakPolarHBondContact O-CD2 3.5Å; I56-F60 PolarHBondContact O-N 3.36Å
57H98.7Very high97.9Very high0 Ų032.1 Ų32.10%016%0.155CC..Hα-helixtrans-57.2-46.6173.7-74.4-53.7000111.5F23 V53 V54 S59 F60 L61 I68 S69 A105F23-H57 AromaticContact CD2-CE1 3.88Å; F23-H57 AromaticContact CE2-CD2 4Å; F23-H57 AromaticContact CE2-CE1 3.44Å; F23-H57 VanDerWaalsContact CE2-CE1 3.44Å; F23-H57 WeakPolarHBondContact CE2-CE1 3.43Å; F23-H57 AromaticContact CE2-ND1 3.7Å; F23-H57 AromaticContact CE2-NE2 3.64Å; V53-H57 PolarHBondContact O-CD2 2.98Å; V53-H57 VanDerWaalsContact O-CD2 3.3Å; V53-H57 PolarHBondContact O-N 3.17Å; V54-H57 PolarHBondContact O-N 2.74Å; H57-S59 VanDerWaalsContact C-N 3.27Å; H57-S59 PolarHBondContact O-N 3.32Å; H57-F60 PolarHBondContact O-N 3.28Å; H57-L61 WeakPolarHBondContact O-CG 3.29Å; H57-L61 PolarHBondContact O-N 2.85Å; H57-I68 HydrophobicContact CB-CD1 4.17Å; H57-S69 PolarHBondContact CE1-O 2.91Å; H57-S69 VanDerWaalsContact CE1-O 3.27Å; H57-A105 HydrophobicContact CB-CB 3.45Å; H57-A105 VanDerWaalsContact CB-CB 3.45Å
58K97.9Very high97.9Very high36 Ų3628.5 Ų28.516%0.15714%0.137CC..Hα-helixtrans-60.3-35.2178-65.6174.574.5168.10112.2V54 K55 I56 L61 R62 A105 E108 E109V54-K58 HydrophobicContact CG1-CD 3.73Å; V54-K58 HydrophobicContact CG1-CG 4.24Å; V54-K58 VanDerWaalsContact O-CG 3.22Å; V54-K58 WeakPolarHBondContact O-CG 3.43Å; V54-K58 PolarHBondContact O-N 3.04Å; K55-K58 PolarHBondContact O-N 2.94Å; I56-K58 VanDerWaalsContact C-N 3.31Å; I56-K58 PolarHBondContact O-N 2.82Å; K58-L61 PolarHBondContact O-N 3.04Å; K58-R62 WeakPolarHBondContact O-CB 3.43Å; K58-R62 WeakPolarHBondContact O-CD 2.98Å; K58-R62 WeakPolarHBondContact O-CG 3.38Å; K58-R62 PolarHBondContact O-N 2.82Å; K58-A105 HydrophobicContact CG-CB 3.92Å; K58-E108 IonicContact NZ-OE2 3.55Å; K58-E108 PolarHBondContact NZ-OE2 3Å; K58-E109 HydrophobicContact CB-CG 4.14Å; K58-E109 WeakPolarHBondContact CE-OE1 3.49Å; K58-E109 HydrophobicContact CG-CG 3.84Å; K58-E109 IonicContact NZ-OE1 3.23Å
59S97.7Very high98Very high31 Ų3126.1 Ų26.122%0.21713%0.126CC..Hα-helixtrans-64.9-39.8177.877.80000112.2K55 I56 H57 A63 P343K55-S59 PolarHBondContact O-N 3.48Å; I56-S59 PolarHBondContact O-N 3.44Å; I56-S59 VanDerWaalsContact O-N 3.16Å; I56-S59 PolarHBondContact O-OG 2.74Å; H57-S59 VanDerWaalsContact C-N 3.27Å; H57-S59 PolarHBondContact O-N 3.32Å; S59-A63 PolarHBondContact O-N 3.17Å; S59-A63 VanDerWaalsContact O-N 3.1Å; S59-P343 WeakPolarHBondContact OG-CG 3.41Å
60F98.3Very high98Very high0 Ų023.4 Ų23.40%011%0.111CC..Hα-helixtrans-69.1-43.6172.7-77.3-63.1000112.4D20 G21 E26 I56 H57 R62 A63 G64 C65 P343 I346D20-F60 HydrophobicContact CB-CB 4.14Å; D20-F60 HydrophobicContact CB-CD1 4.11Å; D20-F60 HydrophobicContact CB-CD2 4.29Å; D20-F60 HydrophobicContact CB-CG 3.92Å; G21-F60 VanDerWaalsContact CA-CE1 3.47Å; E26-F60 HydrophobicContact CG-CE2 4.27Å; E26-F60 HydrophobicContact CG-CZ 4.16Å; I56-F60 HydrophobicContact CG2-CD2 4.11Å; I56-F60 HydrophobicContact CG2-CE2 3.9Å; I56-F60 WeakPolarHBondContact O-CD2 3.5Å; I56-F60 PolarHBondContact O-N 3.36Å; H57-F60 PolarHBondContact O-N 3.28Å; F60-R62 VanDerWaalsContact C-N 3.3Å; F60-R62 PolarHBondContact O-N 3.37Å; F60-A63 WeakPolarHBondContact O-CA 3.4Å; F60-A63 WeakPolarHBondContact O-CB 3.27Å; F60-A63 PolarHBondContact O-N 2.03Å; F60-G64 PolarHBondContact O-N 2.81Å; F60-C65 HydrophobicContact CB-CB 4.33Å; F60-C65 VanDerWaalsContact CB-SG 3.59Å; F60-C65 PolarHBondContact O-N 2.82Å; F60-C65 PolarHBondContact O-SG 3.42Å; F60-P343 HydrophobicContact CD1-CB 4.35Å; F60-P343 HydrophobicContact CD1-CG 3.99Å; F60-P343 HydrophobicContact CE1-CB 4.44Å; F60-P343 HydrophobicContact CE1-CG 3.82Å; F60-P343 HydrophobicContact CE2-CG 4.49Å; F60-P343 HydrophobicContact CG-CG 4.39Å; F60-P343 HydrophobicContact CZ-CG 4.09Å; F60-I346 HydrophobicContact CD1-CG1 4.08Å; F60-I346 HydrophobicContact CE1-CG1 3.98Å
61L97.7Very high98Very high4 Ų421.8 Ų21.82%0.02110%0.1CC..Hα-helixtrans-57.3-44.5175.7-67.2176.6000111.6H57 K58 A63 G64 I68 A105 E109 F118 V124H57-L61 WeakPolarHBondContact O-CG 3.29Å; H57-L61 PolarHBondContact O-N 2.85Å; K58-L61 PolarHBondContact O-N 3.04Å; L61-A63 VanDerWaalsContact C-N 3.25Å; L61-A63 PolarHBondContact O-N 3.33Å; L61-G64 PolarHBondContact O-N 3.02Å; L61-I68 HydrophobicContact CD1-CD1 4.38Å; L61-I68 HydrophobicContact CD2-CD1 4.35Å; L61-I68 HydrophobicContact CD2-CG2 3.61Å; L61-I68 HydrophobicContact CG-CG2 4.06Å; L61-A105 HydrophobicContact CD1-CB 4.32Å; L61-E109 HydrophobicContact CB-CG 4.21Å; L61-E109 HydrophobicContact CD1-CB 4.22Å; L61-E109 HydrophobicContact CD1-CG 3.97Å; L61-F118 WeakPolarHBondContact O-CZ 3.19Å; L61-V124 HydrophobicContact CD2-CB 4.31Å; L61-V124 HydrophobicContact CD2-CG1 3.47Å; L61-V124 VanDerWaalsContact CD2-CG1 3.47Å; L61-V124 HydrophobicContact CD2-CG2 3.83Å
62R96.1Very high98Very high112 Ų11216.5 Ų16.542%0.4238%0.076SC..Hα-helixtrans-68.8-19.8175.3-69.9169.8-175.4-178.2-1.5114.1K58 F60 G64 E109 R347K58-R62 WeakPolarHBondContact O-CB 3.43Å; K58-R62 WeakPolarHBondContact O-CD 2.98Å; K58-R62 WeakPolarHBondContact O-CG 3.38Å; K58-R62 PolarHBondContact O-N 2.82Å; F60-R62 VanDerWaalsContact C-N 3.3Å; F60-R62 PolarHBondContact O-N 3.37Å; R62-G64 VanDerWaalsContact C-N 3.28Å; R62-E109 WeakPolarHBondContact CG-OE2 3.49Å; R62-E109 IonicContact CZ-OE1 2.94Å; R62-E109 IonicContact CZ-OE2 3.82Å; R62-E109 VanDerWaalsContact NE-CD 3.28Å; R62-E109 IonicContact NE-OE1 3.75Å; R62-E109 PolarHBondContact NE-OE1 3.31Å; R62-E109 IonicContact NE-OE2 3.81Å; R62-E109 PolarHBondContact NE-OE2 3.39Å; R62-E109 IonicContact NH2-OE1 3.9Å; R62-E109 PolarHBondContact NH2-OE1 2.92Å; R62-E109 IonicContact NH2-OE2 2.87Å; R62-R347 PolarHBondContact O-NH2 2.93Å
63A96.1Very high97.9Very high0 Ų017.3 Ų17.30%08%0.078CC..Hα-helixtrans-79.2-13.7170.100000112.1S59 F60 L61 P343 I346 R347S59-A63 PolarHBondContact O-N 3.17Å; S59-A63 VanDerWaalsContact O-N 3.1Å; F60-A63 WeakPolarHBondContact O-CA 3.4Å; F60-A63 WeakPolarHBondContact O-CB 3.27Å; F60-A63 PolarHBondContact O-N 2.03Å; L61-A63 VanDerWaalsContact C-N 3.25Å; L61-A63 PolarHBondContact O-N 3.33Å; A63-P343 HydrophobicContact CB-CB 4.11Å; A63-P343 WeakPolarHBondContact CB-O 3.46Å; A63-I346 HydrophobicContact CB-CB 4.39Å; A63-R347 HydrophobicContact CB-CB 4.04Å; A63-R347 WeakPolarHBondContact O-CA 3.48Å
64G95.8Very high97.8Very high0 Ų018.3 Ų18.30%08%0.083CC..THydrogen-bonded Turntrans102.915.9179.200000114.8F60 L61 R62 D66 R120 K354F60-G64 PolarHBondContact O-N 2.81Å; L61-G64 PolarHBondContact O-N 3.02Å; R62-G64 VanDerWaalsContact C-N 3.28Å; G64-D66 PolarHBondContact O-N 2.92Å; G64-R120 PolarHBondContact O-NH2 3.39Å; G64-K354 WeakPolarHBondContact O-CE 3.27Å; G64-K354 PolarHBondContact O-NZ 3.25Å
65C96.1Very high97.7Very high0 Ų018.1 Ų18.10%08%0.082CC..  trans-67.9125174-51.80000111.8V18 D20 F60 R120 I346V18-C65 CarbonylContact O-C 3.38Å; D20-C65 HydrophobicContact CB-CB 4.37Å; F60-C65 HydrophobicContact CB-CB 4.33Å; F60-C65 VanDerWaalsContact CB-SG 3.59Å; F60-C65 PolarHBondContact O-N 2.82Å; F60-C65 PolarHBondContact O-SG 3.42Å; C65-R120 PolarHBondContact O-NH1 2.92Å; C65-R120 PolarHBondContact O-NH2 2.91Å; C65-I346 WeakPolarHBondContact SG-CG2 3.3Å
66D97.8Very high97.6Very high0 Ų012.1 Ų12.10%06%0.056CC..SBendtrans-85.8-16.6178.2-60.5-52.2000113.3R17 V18 G64 R120 V124 L125 K354R17-D66 HydrophobicContact CB-CB 3.93Å; R17-D66 HydrophobicContact CG-CB 4.03Å; R17-D66 PolarHBondContact NH1-O 2.92Å; V18-D66 PolarHBondContact N-OD2 2.8Å; V18-D66 PolarHBondContact O-N 3.09Å; G64-D66 PolarHBondContact O-N 2.92Å; D66-R120 IonicContact OD1-CZ 2.8Å; D66-R120 VanDerWaalsContact OD1-CZ 3.27Å; D66-R120 IonicContact OD1-NE 3.29Å; D66-R120 PolarHBondContact OD1-NE 3.41Å; D66-R120 IonicContact OD1-NH2 3.63Å; D66-R120 PolarHBondContact OD1-NH2 3.48Å; D66-V124 WeakPolarHBondContact O-CA 3.19Å; D66-L125 PolarHBondContact O-N 3.3Å; D66-K354 IonicContact OD1-NZ 3.27Å; D66-K354 PolarHBondContact OD1-NZ 2.79Å; D66-K354 WeakPolarHBondContact OD2-CE 3.23Å; D66-K354 IonicContact OD2-NZ 3.61Å; D66-K354 PolarHBondContact OD2-NZ 3.41Å
67V98.7Very high97.6Very high0 Ų012.7 Ų12.70%06%0.059CC..EExtended strand (participates in β ladder)trans-130.9130.8174.8-172.10000108.4R17 V18 L19 D20 L125 A127 F174 W202 W334R17-V67 HydrophobicContact CB-CG2 4.35Å; V18-V67 PolarHBondContact O-N 3Å; L19-V67 HydrophobicContact CD2-CB 3.64Å; L19-V67 HydrophobicContact CD2-CG1 4.22Å; L19-V67 HydrophobicContact CD2-CG2 3.66Å; D20-V67 PolarHBondContact N-O 2.73Å; D20-V67 VanDerWaalsContact N-O 3.1Å; V67-L125 WeakPolarHBondContact CA-O 3.21Å; V67-L125 HydrophobicContact CG1-CB 4.49Å; V67-L125 HydrophobicContact CG2-CB 4.3Å; V67-A127 HydrophobicContact CG1-CB 3.82Å; V67-F174 HydrophobicContact CG1-CZ 3.78Å; V67-W202 HydrophobicContact CG1-CH2 3.88Å; V67-W202 HydrophobicContact CG1-CZ3 4.24Å; V67-W334 HydrophobicContact CG2-CE3 4.29Å; V67-W334 HydrophobicContact CG2-CZ3 4.2Å
68I98.7Very high97.5Very high0 Ų016 Ų160%08%0.083CC..EExtended strand (participates in β ladder)trans-115.4140.617055.8170.6000110.1D20 H57 L61 A102 V124 L125 I126 A127D20-I68 HydrophobicContact CB-CG2 4.39Å; D20-I68 WeakPolarHBondContact OD2-CA 3.49Å; H57-I68 HydrophobicContact CB-CD1 4.17Å; L61-I68 HydrophobicContact CD1-CD1 4.38Å; L61-I68 HydrophobicContact CD2-CD1 4.35Å; L61-I68 HydrophobicContact CD2-CG2 3.61Å; L61-I68 HydrophobicContact CG-CG2 4.06Å; I68-A102 HydrophobicContact CD1-CB 4Å; I68-V124 HydrophobicContact CG1-CG1 4.32Å; I68-L125 PolarHBondContact N-O 3.23Å; I68-I126 HydrophobicContact CD1-CG1 4.33Å; I68-I126 HydrophobicContact CG1-CG1 4.12Å; I68-I126 WeakPolarHBondContact O-CA 3.44Å; I68-A127 PolarHBondContact O-N 3.28Å
69S98.6Very high97.4Very high14 Ų1415 Ų1510%0.0988%0.079CC..EExtended strand (participates in β ladder)trans-100.1128-174.5-57.70000109.9D20 H57 N71 A127D20-S69 PolarHBondContact OD1-OG 3.1Å; D20-S69 PolarHBondContact OD2-N 2.85Å; H57-S69 PolarHBondContact CE1-O 2.91Å; H57-S69 VanDerWaalsContact CE1-O 3.27Å; S69-N71 PolarHBondContact O-N 3.46Å; S69-A127 CarbonylContact C-O 3.49Å; S69-A127 WeakPolarHBondContact CA-O 3.4Å
70T98.5Very high97.4Very high1 Ų113.5 Ų13.51%0.0067%0.069CC..  trans-61136.4179.2570000109.4T72 V99 A102 I126 A127 G128 S129 V172T70-T72 PolarHBondContact O-N 2.88Å; T70-T72 PolarHBondContact O-OG1 3.04Å; T70-T72 PolarHBondContact OG1-OG1 2.7Å; T70-V99 HydrophobicContact CG2-CG2 4.07Å; T70-A102 HydrophobicContact CG2-CB 4.32Å; T70-I126 HydrophobicContact CG2-CG2 3.65Å; T70-A127 WeakPolarHBondContact CG2-O 3.42Å; T70-A127 PolarHBondContact N-O 3.13Å; T70-A127 PolarHBondContact OG1-O 3.1Å; T70-G128 VanDerWaalsContact OG1-CA 3.31Å; T70-G128 WeakPolarHBondContact OG1-CA 3.45Å; T70-S129 VanDerWaalsContact O-CB 3.25Å; T70-S129 WeakPolarHBondContact O-CB 3.17Å; T70-S129 PolarHBondContact O-OG 2.94Å; T70-S129 PolarHBondContact OG1-N 2.95Å; T70-V172 HydrophobicContact CG2-CG1 4.07Å
71N98.3Very high97.3Very high7 Ų714 Ų144%0.0377%0.074CC..SBendtrans-69.658-177-178.733.2000112.6F23 S42 S43 L46 S69F23-N71 HydrophobicContact CD1-CB 4Å; F23-N71 WeakPolarHBondContact CD1-OD1 3.39Å; F23-N71 HydrophobicContact CE1-CB 3.73Å; F23-N71 WeakPolarHBondContact CE1-ND2 3.48Å; F23-N71 HydrophobicContact CE2-CB 4.38Å; F23-N71 HydrophobicContact CG-CB 4.47Å; F23-N71 HydrophobicContact CZ-CB 3.94Å; S42-N71 VanDerWaalsContact CB-OD1 3.22Å; S42-N71 WeakPolarHBondContact CB-OD1 3.38Å; S42-N71 PolarHBondContact O-ND2 3.38Å; S42-N71 PolarHBondContact OG-OD1 3.31Å; S43-N71 VanDerWaalsContact CB-O 3.31Å; S43-N71 WeakPolarHBondContact CB-O 3.48Å; L46-N71 HydrophobicContact CD2-CB 4.38Å; S69-N71 PolarHBondContact O-N 3.46Å
72T98.5Very high97.3Very high0 Ų022 Ų220%011%0.109CC..  trans-134.28.7-166.151.80000113L46 T70 Q74 A75 A98 S129 L167L46-T72 HydrophobicContact CD1-CG2 4.4Å; T70-T72 PolarHBondContact O-N 2.88Å; T70-T72 PolarHBondContact O-OG1 3.04Å; T70-T72 PolarHBondContact OG1-OG1 2.7Å; T72-Q74 VanDerWaalsContact C-N 3.3Å; T72-Q74 PolarHBondContact O-N 3.45Å; T72-A75 HydrophobicContact CG2-CB 4.13Å; T72-A75 WeakPolarHBondContact O-CB 3.36Å; T72-A75 PolarHBondContact O-N 3.18Å; T72-A98 HydrophobicContact CG2-CB 3.36Å; T72-S129 CarbonylContact C-O 3.49Å; T72-S129 WeakPolarHBondContact CB-O 3.26Å; T72-S129 PolarHBondContact OG1-O 3.4Å; T72-L167 HydrophobicContact CG2-CD2 4.21Å
73Y97.9Very high97.3Very high28 Ų2817.7 Ų17.711%0.1110%0.097CC..THydrogen-bonded Turntrans-46.3-49.9178175.3-106.3000112.7W41 S129 G131 A135 R163 E178 T179W41-Y73 HydrophobicContact CE3-CD1 4.37Å; W41-Y73 AromaticContact CZ3-CD1 3.93Å; W41-Y73 HydrophobicContact CZ3-CD1 3.93Å; Y73-S129 PolarHBondContact N-O 3.28Å; Y73-S129 PolarHBondContact N-OG 3.17Å; Y73-G131 WeakPolarHBondContact O-CA 3.46Å; Y73-G131 PolarHBondContact O-N 2.83Å; Y73-A135 HydrophobicContact CD1-CB 4.37Å; Y73-A135 HydrophobicContact CE1-CB 3.64Å; Y73-R163 PolarHBondContact O-NH2 3.42Å; Y73-R163 VanDerWaalsContact O-NH2 3.13Å; Y73-E178 HydrophobicContact CD2-CB 4.01Å; Y73-E178 HydrophobicContact CE2-CB 3.86Å; Y73-T179 WeakPolarHBondContact CE2-OG1 3.18Å; Y73-T179 WeakPolarHBondContact OH-CB 3.22Å; Y73-T179 PolarHBondContact OH-OG1 3.29Å
74Q95.8Very high97.3Very high20 Ų2019 Ų199%0.09310%0.104CC..THydrogen-bonded Turntrans-96.35.6175.3-73.8-179.2-70.200114.4W41 T72 A76 A135W41-Q74 VanDerWaalsContact CG-OE1 3.24Å; T72-Q74 VanDerWaalsContact C-N 3.3Å; T72-Q74 PolarHBondContact O-N 3.45Å; Q74-A76 PolarHBondContact O-N 2.99Å; Q74-A135 HydrophobicContact CG-CB 3.98Å; Q74-A135 VanDerWaalsContact CG-O 3.28Å; Q74-A135 WeakPolarHBondContact CG-O 3.39Å; Q74-A135 PolarHBondContact NE2-O 2.92Å
75A97Very high97.4Very high0 Ų022.5 Ų22.50%014%0.14CC..  trans-78.5119.1-178.600000110.6T72 L80 M95 R163T72-A75 HydrophobicContact CG2-CB 4.13Å; T72-A75 WeakPolarHBondContact O-CB 3.36Å; T72-A75 PolarHBondContact O-N 3.18Å; A75-L80 HydrophobicContact CB-CD1 3.94Å; A75-L80 HydrophobicContact CB-CG 4.27Å; A75-M95 HydrophobicContact CB-CE 4.37Å; A75-M95 HydrophobicContact CB-CG 3.96Å; A75-M95 HydrophobicContact CB-SD 4.29Å; A75-R163 PolarHBondContact O-NE 3.34Å
76A97.5Very high97.5Very high1 Ų124 Ų241%0.00815%0.147CC..  trans-135.5149.316100000107.9Q74 S78 T79 L80 C136 F159 R163Q74-A76 PolarHBondContact O-N 2.99Å; A76-S78 PolarHBondContact O-N 3.37Å; A76-T79 PolarHBondContact O-N 3.1Å; A76-L80 WeakPolarHBondContact O-CB 3.12Å; A76-L80 PolarHBondContact O-N 2.98Å; A76-C136 HydrophobicContact CB-CB 4.35Å; A76-F159 HydrophobicContact CB-CE2 3.9Å; A76-F159 HydrophobicContact CB-CZ 4.34Å; A76-R163 HydrophobicContact CB-CG 4.3Å
77P97.8Very high97.5Very high12 Ų1226.8 Ų26.88%0.07817%0.167CC..Hα-helixtrans-55-39-178.5-28.335.7000113.5G81 I88 A91 K92 M95 I166P77-G81 PolarHBondContact O-N 3.06Å; P77-I88 HydrophobicContact CB-CD1 4.26Å; P77-I88 HydrophobicContact CB-CG2 3.94Å; P77-I88 WeakPolarHBondContact O-CD1 3.44Å; P77-A91 HydrophobicContact CB-CB 4.3Å; P77-A91 VanDerWaalsContact O-CB 3.31Å; P77-A91 WeakPolarHBondContact O-CB 3.33Å; P77-K92 HydrophobicContact CB-CG 4.13Å; P77-K92 HydrophobicContact CG-CG 3.81Å; P77-M95 HydrophobicContact CG-SD 4.18Å; P77-I166 HydrophobicContact CG-CD1 3.85Å
78S96.1Very high97.5Very high71 Ų7130.9 Ų30.950%0.49719%0.188SC..Hα-helixtrans-67.2-45.6175.150.60000112.8A76 K82A76-S78 PolarHBondContact O-N 3.37Å; S78-K82 WeakPolarHBondContact O-CB 3Å; S78-K82 PolarHBondContact O-N 2.9Å
79T95.7Very high97.5Very high13 Ų1332.8 Ų32.88%0.0821%0.207CC..Hα-helixtrans-63.9-49.4179.6-58.10000111.2L39 A76 K82 A83 C136L39-T79 HydrophobicContact CD1-CG2 4.38Å; L39-T79 HydrophobicContact CG-CG2 4.22Å; A76-T79 PolarHBondContact O-N 3.1Å; T79-K82 PolarHBondContact O-N 3.2Å; T79-A83 WeakPolarHBondContact O-CB 3.31Å; T79-A83 PolarHBondContact O-N 3.12Å; T79-C136 PolarHBondContact OG1-O 2.81Å
80L97.7Very high97.5Very high0 Ų036.9 Ų36.90%023%0.225CC..Hα-helixtrans-63.5-44.8177-72.6179.4000111.8A40 S43 A75 A76 K82 A83 L84 A91 L94 M95A40-L80 HydrophobicContact CB-CD2 3.99Å; S43-L80 WeakPolarHBondContact OG-CD2 3.13Å; A75-L80 HydrophobicContact CB-CD1 3.94Å; A75-L80 HydrophobicContact CB-CG 4.27Å; A76-L80 WeakPolarHBondContact O-CB 3.12Å; A76-L80 PolarHBondContact O-N 2.98Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 2.73Å; L80-A83 PolarHBondContact O-N 3.01Å; L80-L84 HydrophobicContact CD2-CD1 4.1Å; L80-L84 WeakPolarHBondContact O-CB 3.35Å; L80-L84 PolarHBondContact O-N 3.01Å; L80-A91 HydrophobicContact CB-CB 3.76Å; L80-A91 HydrophobicContact CD1-CB 4.46Å; L80-L94 HydrophobicContact CD1-CB 4.27Å; L80-M95 HydrophobicContact CD1-CG 3.92Å
81G97.7Very high97.5Very high10 Ų1036.8 Ų36.810%0.10323%0.225CC..Hα-helixtrans-57.2-47177.500000112.3P77 G85 I86P77-G81 PolarHBondContact O-N 3.06Å; G81-G85 WeakPolarHBondContact O-CA 3.06Å; G81-G85 PolarHBondContact O-N 3.2Å; G81-I86 WeakPolarHBondContact CA-O 2.74Å; G81-I86 PolarHBondContact O-N 3.45Å
82K96.5Very high97.5Very high174 Ų17440.9 Ų40.976%0.75724%0.242SC*.Hα-helixtrans-67.1-42.8176.3-177178.9175.6-174.90112.6L39 S78 T79 L80L39-K82 HydrophobicContact CD2-CB 4.26Å; L39-K82 HydrophobicContact CD2-CD 3.91Å; L39-K82 HydrophobicContact CD2-CG 3.9Å; S78-K82 WeakPolarHBondContact O-CB 3Å; S78-K82 PolarHBondContact O-N 2.9Å; T79-K82 PolarHBondContact O-N 3.2Å; L80-K82 VanDerWaalsContact C-N 3.34Å; L80-K82 PolarHBondContact O-N 2.73Å
83A96.4Very high97.5Very high20 Ų2045.6 Ų45.617%0.16527%0.267CS..Hα-helixtrans-72-34.5-174.900000113.3L39 A40 T79 L80L39-A83 HydrophobicContact CB-CB 3.72Å; L39-A83 HydrophobicContact CD2-CB 3.93Å; L39-A83 HydrophobicContact CG-CB 3.83Å; A40-A83 HydrophobicContact CB-CB 3.66Å; T79-A83 WeakPolarHBondContact O-CB 3.31Å; T79-A83 PolarHBondContact O-N 3.12Å; L80-A83 PolarHBondContact O-N 3.01Å
84L96.9Very high97.6Very high28 Ų2845.1 Ų45.115%0.14727%0.267CS..Hα-helixtrans-108.4-5.8-172.4-55.9178.7000113.1A40 R44 M47 L80 I86 L94A40-L84 HydrophobicContact CB-CD2 4.19Å; A40-L84 HydrophobicContact CB-CG 4.42Å; R44-L84 HydrophobicContact CB-CD2 3.92Å; M47-L84 HydrophobicContact CB-CD1 4.36Å; M47-L84 HydrophobicContact CE-CB 3.93Å; M47-L84 HydrophobicContact CE-CD1 4.16Å; M47-L84 HydrophobicContact CE-CD2 4.01Å; M47-L84 HydrophobicContact CE-CG 4.24Å; M47-L84 HydrophobicContact SD-CB 4.3Å; M47-L84 HydrophobicContact SD-CD1 4.2Å; L80-L84 HydrophobicContact CD2-CD1 4.1Å; L80-L84 WeakPolarHBondContact O-CB 3.35Å; L80-L84 PolarHBondContact O-N 3.01Å; L84-I86 HydrophobicContact CB-CD1 4.14Å; L84-I86 HydrophobicContact CB-CG1 4.15Å; L84-I86 HydrophobicContact CB-CG2 4.22Å; L84-I86 HydrophobicContact CD1-CD1 4.12Å; L84-L94 HydrophobicContact CD1-CD1 3.58Å
85G97.3Very high97.7Very high73 Ų7344.2 Ų44.275%0.75326%0.262SS*.THydrogen-bonded Turntrans70.232.9-179.100000113.3G81G81-G85 WeakPolarHBondContact O-CA 3.06Å; G81-G85 PolarHBondContact O-N 3.2Å
86I98.3Very high97.8Very high31 Ų3146.2 Ų46.216%0.15927%0.272CS..  trans-115.9162.4-176.365.5-179.9000111.3M47 G81 L84 E90 A91 L94M47-I86 HydrophobicContact SD-CG2 4.05Å; G81-I86 WeakPolarHBondContact CA-O 2.74Å; G81-I86 PolarHBondContact O-N 3.45Å; L84-I86 HydrophobicContact CB-CD1 4.14Å; L84-I86 HydrophobicContact CB-CG1 4.15Å; L84-I86 HydrophobicContact CB-CG2 4.22Å; L84-I86 HydrophobicContact CD1-CD1 4.12Å; I86-E90 HydrophobicContact CB-CB 3.97Å; I86-E90 HydrophobicContact CD1-CB 4.08Å; I86-E90 HydrophobicContact CG1-CB 4.26Å; I86-A91 HydrophobicContact CD1-CB 4.11Å; I86-A91 HydrophobicContact CG1-CB 4.34Å; I86-L94 HydrophobicContact CD1-CD1 3.48Å; I86-L94 VanDerWaalsContact CD1-CD1 3.48Å; I86-L94 HydrophobicContact CD1-CG 4.31Å
87S98.5Very high97.8Very high60 Ų6048.4 Ų48.442%0.4229%0.285SS..  trans-68.3161175.169.90000112.5G89 E90 A91S87-G89 PolarHBondContact O-N 3.01Å; S87-E90 VanDerWaalsContact CB-OE2 3.22Å; S87-E90 WeakPolarHBondContact CB-OE2 3.17Å; S87-E90 PolarHBondContact N-OE2 3.37Å; S87-E90 PolarHBondContact O-N 3.49Å; S87-E90 WeakPolarHBondContact OG-CG 3.4Å; S87-E90 PolarHBondContact OG-N 3.44Å; S87-E90 PolarHBondContact OG-OE2 3.22Å; S87-A91 WeakPolarHBondContact O-CB 3.49Å; S87-A91 PolarHBondContact O-N 3.16Å
88I98.2Very high97.9Very high86 Ų8647.8 Ų47.844%0.44128%0.281SS..Hα-helixtrans-58.6-34.5172.9-64.1-59.7000111.6P77 A91 K92P77-I88 HydrophobicContact CB-CD1 4.26Å; P77-I88 HydrophobicContact CB-CG2 3.94Å; P77-I88 WeakPolarHBondContact O-CD1 3.44Å; I88-A91 PolarHBondContact O-N 3.25Å; I88-K92 WeakPolarHBondContact O-CG 3.33Å; I88-K92 PolarHBondContact O-N 3.42Å
89G98.4Very high98Very high39 Ų3944.4 Ų44.440%0.40226%0.257SS..Hα-helixtrans-65.7-46.5176.800000112.1S87 A91 K92 N93S87-G89 PolarHBondContact O-N 3.01Å; G89-A91 VanDerWaalsContact C-N 3.34Å; G89-A91 PolarHBondContact O-N 2.86Å; G89-K92 PolarHBondContact O-N 2.95Å; G89-N93 PolarHBondContact O-N 2.87Å
90E98.5Very high98.2Very high100 Ų10048.4 Ų48.447%0.46728%0.275SS..Hα-helixtrans-63.5-40.5175.5-70.8161.9127.200111.6I86 S87 K92 N93 L94I86-E90 HydrophobicContact CB-CB 3.97Å; I86-E90 HydrophobicContact CD1-CB 4.08Å; I86-E90 HydrophobicContact CG1-CB 4.26Å; S87-E90 VanDerWaalsContact CB-OE2 3.22Å; S87-E90 WeakPolarHBondContact CB-OE2 3.17Å; S87-E90 PolarHBondContact N-OE2 3.37Å; S87-E90 PolarHBondContact O-N 3.49Å; S87-E90 WeakPolarHBondContact OG-CG 3.4Å; S87-E90 PolarHBondContact OG-N 3.44Å; S87-E90 PolarHBondContact OG-OE2 3.22Å; E90-K92 PolarHBondContact O-N 3.02Å; E90-N93 WeakPolarHBondContact O-CB 3.33Å; E90-N93 PolarHBondContact O-N 3.03Å; E90-N93 VanDerWaalsContact O-N 3.13Å; E90-L94 PolarHBondContact O-N 2.72Å
91A98.5Very high98.2Very high0 Ų048.9 Ų48.90%028%0.277CS..Hα-helixtrans-61.8-4017600000112.9P77 L80 I86 S87 I88 G89 L94 M95P77-A91 HydrophobicContact CB-CB 4.3Å; P77-A91 VanDerWaalsContact O-CB 3.31Å; P77-A91 WeakPolarHBondContact O-CB 3.33Å; L80-A91 HydrophobicContact CB-CB 3.76Å; L80-A91 HydrophobicContact CD1-CB 4.46Å; I86-A91 HydrophobicContact CD1-CB 4.11Å; I86-A91 HydrophobicContact CG1-CB 4.34Å; S87-A91 WeakPolarHBondContact O-CB 3.49Å; S87-A91 PolarHBondContact O-N 3.16Å; I88-A91 PolarHBondContact O-N 3.25Å; G89-A91 VanDerWaalsContact C-N 3.34Å; G89-A91 PolarHBondContact O-N 2.86Å; A91-L94 PolarHBondContact O-N 2.84Å; A91-M95 PolarHBondContact O-N 3.19Å
92K98.6Very high98.3Very high93 Ų9348.4 Ų48.440%0.40427%0.272SS..Hα-helixtrans-63-43.3171.6-71.5-180178.4-173.30111.3P77 I88 G89 E90 L94 M95 H96 I166P77-K92 HydrophobicContact CB-CG 4.13Å; P77-K92 HydrophobicContact CG-CG 3.81Å; I88-K92 WeakPolarHBondContact O-CG 3.33Å; I88-K92 PolarHBondContact O-N 3.42Å; G89-K92 PolarHBondContact O-N 2.95Å; E90-K92 PolarHBondContact O-N 3.02Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 2.79Å; K92-M95 WeakPolarHBondContact O-CB 3.33Å; K92-M95 PolarHBondContact O-N 2.99Å; K92-M95 VanDerWaalsContact O-N 3.09Å; K92-H96 PolarHBondContact O-CD2 3.06Å; K92-H96 PolarHBondContact O-N 3.35Å; K92-I166 HydrophobicContact CB-CD1 4.38Å; K92-I166 HydrophobicContact CD-CD1 4.39Å; K92-I166 HydrophobicContact CG-CD1 3.79Å; K92-I166 HydrophobicContact CG-CG1 4.46Å
93N98.5Very high98.4Very high98 Ų9841.6 Ų41.652%0.52424%0.243SC..Hα-helixtrans-60.4-37.7176.6-69.5-14.4000112G89 E90 M95 H96 T97G89-N93 PolarHBondContact O-N 2.87Å; E90-N93 WeakPolarHBondContact O-CB 3.33Å; E90-N93 PolarHBondContact O-N 3.03Å; E90-N93 VanDerWaalsContact O-N 3.13Å; N93-M95 VanDerWaalsContact C-N 3.32Å; N93-M95 PolarHBondContact O-N 3.1Å; N93-H96 WeakPolarHBondContact O-CB 3.36Å; N93-H96 PolarHBondContact O-N 3.2Å; N93-T97 WeakPolarHBondContact O-CB 3.09Å; N93-T97 PolarHBondContact O-N 2.84Å; N93-T97 PolarHBondContact O-OG1 3.2Å; N93-T97 VanDerWaalsContact O-OG1 3.04Å
94L98.6Very high98.5Very high19 Ų1943.9 Ų43.910%0.09925%0.248CC..Hα-helixtrans-63-37.7174-69.9-177.8000112.7L46 M47 L80 L84 I86 E90 A91 K92 T97 A98L46-L94 HydrophobicContact CB-CB 4.4Å; L46-L94 HydrophobicContact CB-CD2 4.35Å; M47-L94 HydrophobicContact CB-CD1 3.92Å; M47-L94 HydrophobicContact CB-CD2 3.88Å; M47-L94 HydrophobicContact CG-CD2 4.44Å; L80-L94 HydrophobicContact CD1-CB 4.27Å; L84-L94 HydrophobicContact CD1-CD1 3.58Å; I86-L94 HydrophobicContact CD1-CD1 3.48Å; I86-L94 VanDerWaalsContact CD1-CD1 3.48Å; I86-L94 HydrophobicContact CD1-CG 4.31Å; E90-L94 PolarHBondContact O-N 2.72Å; A91-L94 PolarHBondContact O-N 2.84Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 2.79Å; L94-T97 WeakPolarHBondContact O-CB 3.21Å; L94-T97 PolarHBondContact O-N 2.93Å; L94-A98 PolarHBondContact O-N 3.41Å
95M98.8Very high98.6Very high0 Ų042.6 Ų42.60%024%0.241CC..Hα-helixtrans-66.2-39.5174.5-68.2179.770.500111.8A75 P77 L80 A91 K92 N93 A98 L130 R163 I166 L167A75-M95 HydrophobicContact CB-CE 4.37Å; A75-M95 HydrophobicContact CB-CG 3.96Å; A75-M95 HydrophobicContact CB-SD 4.29Å; P77-M95 HydrophobicContact CG-SD 4.18Å; L80-M95 HydrophobicContact CD1-CG 3.92Å; A91-M95 PolarHBondContact O-N 3.19Å; K92-M95 WeakPolarHBondContact O-CB 3.33Å; K92-M95 PolarHBondContact O-N 2.99Å; K92-M95 VanDerWaalsContact O-N 3.09Å; N93-M95 VanDerWaalsContact C-N 3.32Å; N93-M95 PolarHBondContact O-N 3.1Å; M95-A98 WeakPolarHBondContact O-CB 3.41Å; M95-A98 PolarHBondContact O-N 2.81Å; M95-L130 HydrophobicContact CE-CD2 4.41Å; M95-R163 HydrophobicContact CE-CB 4.1Å; M95-R163 HydrophobicContact CE-CG 4.23Å; M95-I166 HydrophobicContact CB-CG2 3.57Å; M95-I166 HydrophobicContact CE-CD1 4.27Å; M95-I166 HydrophobicContact SD-CD1 3.9Å; M95-L167 HydrophobicContact CB-CD2 4.28Å; M95-L167 HydrophobicContact CE-CD2 4.19Å; M95-L167 HydrophobicContact CE-CG 4.45Å
96H98.8Very high98.6Very high43 Ų4341.4 Ų41.420%0.19921%0.213CC..Hα-helixtrans-60.5-46.6170.2-69.4-70.7000111.3K92 N93 A98 V99 H100 I166 S170K92-H96 PolarHBondContact O-CD2 3.06Å; K92-H96 PolarHBondContact O-N 3.35Å; N93-H96 WeakPolarHBondContact O-CB 3.36Å; N93-H96 PolarHBondContact O-N 3.2Å; H96-A98 VanDerWaalsContact C-N 3.26Å; H96-A98 PolarHBondContact O-N 2.95Å; H96-V99 PolarHBondContact O-N 2.98Å; H96-V99 VanDerWaalsContact O-N 3.1Å; H96-H100 PolarHBondContact O-CD2 3.28Å; H96-H100 VanDerWaalsContact O-CD2 3.23Å; H96-H100 PolarHBondContact O-N 2.81Å; H96-H100 VanDerWaalsContact O-N 3.13Å; H96-I166 PolarHBondContact CE1-O 3.14Å; H96-I166 PolarHBondContact ND1-O 3.25Å; H96-S170 WeakPolarHBondContact CA-OG 3.43Å; H96-S170 PolarHBondContact ND1-OG 3.45Å
97T98.7Very high98.6Very high46 Ų4644.7 Ų44.728%0.28223%0.228SC..Hα-helixtrans-55.3-40.5175.9-650000111.8N93 L94 V99 H100 L101N93-T97 WeakPolarHBondContact O-CB 3.09Å; N93-T97 PolarHBondContact O-N 2.84Å; N93-T97 PolarHBondContact O-OG1 3.2Å; N93-T97 VanDerWaalsContact O-OG1 3.04Å; L94-T97 WeakPolarHBondContact O-CB 3.21Å; L94-T97 PolarHBondContact O-N 2.93Å; T97-V99 VanDerWaalsContact C-N 3.27Å; T97-V99 PolarHBondContact O-N 3.33Å; T97-H100 PolarHBondContact O-N 3.48Å; T97-H100 VanDerWaalsContact O-N 3.15Å; T97-L101 HydrophobicContact CG2-CD1 3.71Å; T97-L101 HydrophobicContact CG2-CG 3.92Å; T97-L101 VanDerWaalsContact O-CG 3.24Å; T97-L101 WeakPolarHBondContact O-CG 3.47Å; T97-L101 PolarHBondContact O-N 3.34Å
98A98.9Very high98.5Very high0 Ų045.2 Ų45.20%022%0.224CC..Hα-helixtrans-56.1-42.1177.800000113.1L46 T72 L94 M95 H96 A102L46-A98 HydrophobicContact CD1-CB 3.76Å; L46-A98 HydrophobicContact CD2-CB 3.45Å; L46-A98 VanDerWaalsContact CD2-CB 3.45Å; L46-A98 HydrophobicContact CG-CB 4.25Å; T72-A98 HydrophobicContact CG2-CB 3.36Å; L94-A98 PolarHBondContact O-N 3.41Å; M95-A98 WeakPolarHBondContact O-CB 3.41Å; M95-A98 PolarHBondContact O-N 2.81Å; H96-A98 VanDerWaalsContact C-N 3.26Å; H96-A98 PolarHBondContact O-N 2.95Å; A98-A102 PolarHBondContact O-N 3.16Å
99V98.9Very high98.4Very high0 Ų042.9 Ų42.90%021%0.211CC..Hα-helixtrans-68.3-45.1177.7-1760000110.5T70 H96 T97 L101 A102 Q103 L167 S170 V172T70-V99 HydrophobicContact CG2-CG2 4.07Å; H96-V99 PolarHBondContact O-N 2.98Å; H96-V99 VanDerWaalsContact O-N 3.1Å; T97-V99 VanDerWaalsContact C-N 3.27Å; T97-V99 PolarHBondContact O-N 3.33Å; V99-L101 VanDerWaalsContact C-N 3.33Å; V99-L101 PolarHBondContact O-N 3.1Å; V99-A102 PolarHBondContact O-N 3.18Å; V99-Q103 HydrophobicContact CG1-CG 4.44Å; V99-Q103 WeakPolarHBondContact O-CG 3.44Å; V99-Q103 PolarHBondContact O-N 3.21Å; V99-L167 HydrophobicContact CG2-CB 4.46Å; V99-L167 HydrophobicContact CG2-CD2 3.78Å; V99-S170 VanDerWaalsContact CB-CB 3.5Å; V99-S170 WeakPolarHBondContact CG1-O 3.32Å; V99-V172 HydrophobicContact CB-CG1 4.19Å; V99-V172 HydrophobicContact CG1-CG1 3.55Å; V99-V172 HydrophobicContact CG2-CG1 3.58Å
100H98.8Very high98.1Very high96 Ų9646.1 Ų46.144%0.44422%0.219SC..Hα-helixtrans-63.2-35.9177.9-64.5-42.6000113.1H96 T97 Q103 R104H96-H100 PolarHBondContact O-CD2 3.28Å; H96-H100 VanDerWaalsContact O-CD2 3.23Å; H96-H100 PolarHBondContact O-N 2.81Å; H96-H100 VanDerWaalsContact O-N 3.13Å; T97-H100 PolarHBondContact O-N 3.48Å; T97-H100 VanDerWaalsContact O-N 3.15Å; H100-Q103 PolarHBondContact ND1-OE1 3Å; H100-Q103 PolarHBondContact O-N 2.99Å; H100-R104 VanDerWaalsContact O-CB 3.29Å; H100-R104 WeakPolarHBondContact O-CB 3.21Å; H100-R104 PolarHBondContact O-N 3.43Å
101L98.9Very high97.7Very high10 Ų1047.7 Ų47.75%0.05223%0.231CC..Hα-helixtrans-67.6-40.6174.9-65.7172.5000111.4L46 P50 V53 V54 T97 V99 R104 A105L46-L101 HydrophobicContact CD2-CD1 4.13Å; P50-L101 HydrophobicContact CB-CD1 3.85Å; P50-L101 HydrophobicContact CB-CD2 3.93Å; V53-L101 HydrophobicContact CB-CD1 4.02Å; V53-L101 HydrophobicContact CG1-CB 4.09Å; V53-L101 HydrophobicContact CG1-CD1 3.87Å; V53-L101 HydrophobicContact CG2-CD1 4.5Å; V54-L101 HydrophobicContact CG2-CB 3.74Å; V54-L101 HydrophobicContact CG2-CD2 3.66Å; V54-L101 HydrophobicContact CG2-CG 4.23Å; V54-L101 WeakPolarHBondContact CG2-O 3.3Å; T97-L101 HydrophobicContact CG2-CD1 3.71Å; T97-L101 HydrophobicContact CG2-CG 3.92Å; T97-L101 VanDerWaalsContact O-CG 3.24Å; T97-L101 WeakPolarHBondContact O-CG 3.47Å; T97-L101 PolarHBondContact O-N 3.34Å; V99-L101 VanDerWaalsContact C-N 3.33Å; V99-L101 PolarHBondContact O-N 3.1Å; L101-R104 PolarHBondContact O-N 2.92Å; L101-A105 WeakPolarHBondContact O-CB 3.38Å; L101-A105 PolarHBondContact O-N 3.22Å
102A98.9Very high97.3Very high0 Ų049.8 Ų49.80%025%0.246CC..Hα-helixtrans-63.8-41.8173.400000111.9I68 T70 A98 V99 A105 R106 I126I68-A102 HydrophobicContact CD1-CB 4Å; T70-A102 HydrophobicContact CG2-CB 4.32Å; A98-A102 PolarHBondContact O-N 3.16Å; V99-A102 PolarHBondContact O-N 3.18Å; A102-A105 PolarHBondContact O-N 3Å; A102-R106 PolarHBondContact O-N 3.02Å; A102-I126 HydrophobicContact CB-CD1 4.13Å; A102-I126 HydrophobicContact CB-CG1 4.41Å; A102-I126 HydrophobicContact CB-CG2 3.91Å
103Q98.8Very high96.5Very high31 Ų3152.4 Ų52.415%0.14527%0.269CS..Hα-helixtrans-61.1-47.4174.2-72.1166.2-15.500111.1V99 H100 A105 R106 E107 I126 S170 G171V99-Q103 HydrophobicContact CG1-CG 4.44Å; V99-Q103 WeakPolarHBondContact O-CG 3.44Å; V99-Q103 PolarHBondContact O-N 3.21Å; H100-Q103 PolarHBondContact ND1-OE1 3Å; H100-Q103 PolarHBondContact O-N 2.99Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; Q103-A105 PolarHBondContact O-N 3.45Å; Q103-R106 WeakPolarHBondContact O-CB 3.35Å; Q103-R106 PolarHBondContact O-N 2.84Å; Q103-E107 WeakPolarHBondContact O-CG 3.27Å; Q103-E107 PolarHBondContact O-N 3.4Å; Q103-I126 HydrophobicContact CB-CD1 4.09Å; Q103-I126 HydrophobicContact CG-CD1 3.45Å; Q103-I126 VanDerWaalsContact CG-CD1 3.45Å; Q103-S170 PolarHBondContact NE2-O 3.1Å; Q103-G171 PolarHBondContact NE2-O 3.31Å
104R98.7Very high95.6Very high69 Ų6952.1 Ų52.126%0.2627%0.271SS..Hα-helixtrans-59.5-44.4177.1-160.4-175.185.9-165.52.5111.7E51 V54 H100 L101 R106 E107 E108E51-R104 IonicContact OE1-CZ 2.93Å; E51-R104 VanDerWaalsContact OE1-CZ 3.23Å; E51-R104 IonicContact OE1-NH1 3.93Å; E51-R104 PolarHBondContact OE1-NH1 3.32Å; E51-R104 IonicContact OE1-NH2 3.2Å; E51-R104 PolarHBondContact OE1-NH2 2.96Å; E51-R104 IonicContact OE2-CZ 3.94Å; E51-R104 IonicContact OE2-NH2 2.94Å; E51-R104 PolarHBondContact OE2-NH2 3.47Å; V54-R104 VanDerWaalsContact CG2-NH2 3.3Å; H100-R104 VanDerWaalsContact O-CB 3.29Å; H100-R104 WeakPolarHBondContact O-CB 3.21Å; H100-R104 PolarHBondContact O-N 3.43Å; L101-R104 PolarHBondContact O-N 2.92Å; R104-R106 PolarHBondContact O-N 3.02Å; R104-E107 PolarHBondContact O-N 2.95Å; R104-E108 HydrophobicContact CG-CG 4.4Å; R104-E108 WeakPolarHBondContact CG-OE1 3.27Å; R104-E108 IonicContact CZ-OE1 2.82Å; R104-E108 IonicContact NE-OE1 3.54Å; R104-E108 PolarHBondContact NE-OE1 2.93Å; R104-E108 IonicContact NH2-OE1 3.92Å; R104-E108 WeakPolarHBondContact O-CB 3.42Å; R104-E108 VanDerWaalsContact O-CG 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.43Å
105A98.6Very high94.5Very high0 Ų056.1 Ų56.10%031%0.307CS..Hα-helixtrans-58.9-45.4175.500000112.2V54 H57 K58 L61 L101 A102 Q103 E109V54-A105 HydrophobicContact CG1-CB 4.01Å; H57-A105 HydrophobicContact CB-CB 3.45Å; H57-A105 VanDerWaalsContact CB-CB 3.45Å; K58-A105 HydrophobicContact CG-CB 3.92Å; L61-A105 HydrophobicContact CD1-CB 4.32Å; L101-A105 WeakPolarHBondContact O-CB 3.38Å; L101-A105 PolarHBondContact O-N 3.22Å; A102-A105 PolarHBondContact O-N 3Å; Q103-A105 VanDerWaalsContact C-N 3.35Å; Q103-A105 PolarHBondContact O-N 3.45Å; A105-E109 WeakPolarHBondContact O-CG 3.3Å; A105-E109 PolarHBondContact O-N 3.37Å; A105-E109 VanDerWaalsContact O-N 3.1Å
106R97.9Very high93.7Very high48 Ų4859.2 Ų59.218%0.18133%0.329CS..Hα-helixtrans-60.9-47.1175.7175.5177.769.7-174.8-1.6111.7A102 Q103 R104 E109 N110 V124 D173A102-R106 PolarHBondContact O-N 3.02Å; Q103-R106 WeakPolarHBondContact O-CB 3.35Å; Q103-R106 PolarHBondContact O-N 2.84Å; R104-R106 PolarHBondContact O-N 3.02Å; R106-E109 PolarHBondContact O-N 3.47Å; R106-N110 WeakPolarHBondContact O-CB 3.43Å; R106-N110 PolarHBondContact O-N 3.31Å; R106-V124 HydrophobicContact CB-CG1 4.43Å; R106-V124 WeakPolarHBondContact CD-O 3.3Å; R106-V124 HydrophobicContact CG-CB 3.93Å; R106-V124 HydrophobicContact CG-CG1 4.05Å; R106-V124 PolarHBondContact NH1-O 3.21Å; R106-D173 IonicContact NH1-OD2 3.8Å; R106-D173 PolarHBondContact NH1-OD2 3.25Å
107E97.8Very high93.1Very high101 Ų10162.2 Ų62.247%0.47234%0.343SS..Hα-helixtrans-66.3-44.2-179.1-72.7168.6-164.600112.3Q103 R104 E109 N110 N111Q103-E107 WeakPolarHBondContact O-CG 3.27Å; Q103-E107 PolarHBondContact O-N 3.4Å; R104-E107 PolarHBondContact O-N 2.95Å; E107-E109 VanDerWaalsContact C-N 3.33Å; E107-E109 PolarHBondContact O-N 3.15Å; E107-N110 PolarHBondContact O-N 3.4Å; E107-N111 WeakPolarHBondContact O-CB 3.5Å; E107-N111 PolarHBondContact O-N 3.16Å; E107-N111 PolarHBondContact O-ND2 3.4Å
108E97.1Very high92.7Very high71 Ų7160.7 Ų60.733%0.33233%0.332SS..Hα-helixtrans-62.6-38.2176.7-75179.6-149.500112.1K58 R104 S112K58-E108 IonicContact NZ-OE2 3.55Å; K58-E108 PolarHBondContact NZ-OE2 3Å; R104-E108 HydrophobicContact CG-CG 4.4Å; R104-E108 WeakPolarHBondContact CG-OE1 3.27Å; R104-E108 IonicContact CZ-OE1 2.82Å; R104-E108 IonicContact NE-OE1 3.54Å; R104-E108 PolarHBondContact NE-OE1 2.93Å; R104-E108 IonicContact NH2-OE1 3.92Å; R104-E108 WeakPolarHBondContact O-CB 3.42Å; R104-E108 VanDerWaalsContact O-CG 3.31Å; R104-E108 WeakPolarHBondContact O-CG 3.5Å; R104-E108 PolarHBondContact O-N 3.43Å; E108-S112 PolarHBondContact O-N 3.06Å; E108-S112 VanDerWaalsContact O-N 3.12Å
109E94.8Very high92.2Very high36 Ų3668.1 Ų68.117%0.16837%0.367CS..Hα-helixtrans-74.2-38.9176.7-71.2-63.5123.300112.5K58 L61 R62 A105 R106 E107 N111 S112K58-E109 HydrophobicContact CB-CG 4.14Å; K58-E109 WeakPolarHBondContact CE-OE1 3.49Å; K58-E109 HydrophobicContact CG-CG 3.84Å; K58-E109 IonicContact NZ-OE1 3.23Å; L61-E109 HydrophobicContact CB-CG 4.21Å; L61-E109 HydrophobicContact CD1-CB 4.22Å; L61-E109 HydrophobicContact CD1-CG 3.97Å; R62-E109 WeakPolarHBondContact CG-OE2 3.49Å; R62-E109 IonicContact CZ-OE1 2.94Å; R62-E109 IonicContact CZ-OE2 3.82Å; R62-E109 VanDerWaalsContact NE-CD 3.28Å; R62-E109 IonicContact NE-OE1 3.75Å; R62-E109 PolarHBondContact NE-OE1 3.31Å; R62-E109 IonicContact NE-OE2 3.81Å; R62-E109 PolarHBondContact NE-OE2 3.39Å; R62-E109 IonicContact NH2-OE1 3.9Å; R62-E109 PolarHBondContact NH2-OE1 2.92Å; R62-E109 IonicContact NH2-OE2 2.87Å; A105-E109 WeakPolarHBondContact O-CG 3.3Å; A105-E109 PolarHBondContact O-N 3.37Å; A105-E109 VanDerWaalsContact O-N 3.1Å; R106-E109 PolarHBondContact O-N 3.47Å; E107-E109 VanDerWaalsContact C-N 3.33Å; E107-E109 PolarHBondContact O-N 3.15Å; E109-N111 PolarHBondContact O-N 2.87Å; E109-S112 WeakPolarHBondContact O-CB 3.46Å; E109-S112 PolarHBondContact O-N 3.37Å; E109-S112 VanDerWaalsContact O-N 3.14Å
110N92Very high91.9Very high108 Ų10870.8 Ų70.858%0.57838%0.377SS*.Hα-helixtrans-61.8-33.3174.4-75.9-11.9000112.4R106 E107R106-N110 WeakPolarHBondContact O-CB 3.43Å; R106-N110 PolarHBondContact O-N 3.31Å; E107-N110 PolarHBondContact O-N 3.4Å
111N91.8Very high91.6Very high132 Ų13272.2 Ų72.271%0.70638%0.382SS*.THydrogen-bonded Turntrans-92.12.2178.1-66.9-46.9000113.4E107 E109 V113E107-N111 WeakPolarHBondContact O-CB 3.5Å; E107-N111 PolarHBondContact O-N 3.16Å; E107-N111 PolarHBondContact O-ND2 3.4Å; E109-N111 PolarHBondContact O-N 2.87Å; N111-V113 PolarHBondContact O-N 3.03Å
112S89.2Confident91.3Very high45 Ų4573.5 Ų73.532%0.31539%0.389SS..  trans-70.6130.8-176.4-166.20000111.2E108 E109 T114E108-S112 PolarHBondContact O-N 3.06Å; E108-S112 VanDerWaalsContact O-N 3.12Å; E109-S112 WeakPolarHBondContact O-CB 3.46Å; E109-S112 PolarHBondContact O-N 3.37Å; E109-S112 VanDerWaalsContact O-N 3.14Å; S112-T114 VanDerWaalsContact C-N 3.33Å; S112-T114 PolarHBondContact OG-N 2.88Å; S112-T114 PolarHBondContact OG-OG1 2.92Å
113V82.4Confident91.1Very high148 Ų14877.7 Ų77.790%0.89742%0.416SS*.  trans-84.1-9.7175.1-620000113N111 A115N111-V113 PolarHBondContact O-N 3.03Å; V113-A115 PolarHBondContact O-N 3.42Å
114T80.1Confident91Very high91 Ų9176.5 Ų76.556%0.55841%0.411SS*.SBendtrans-65.1131.4175.448.50000109.7S112 S116S112-T114 VanDerWaalsContact C-N 3.33Å; S112-T114 PolarHBondContact OG-N 2.88Å; S112-T114 PolarHBondContact OG-OG1 2.92Å; T114-S116 PolarHBondContact O-N 3.34Å; T114-S116 VanDerWaalsContact O-N 3.17Å
115A74.8Confident91Very high104 Ų10473.6 Ų73.686%0.8640%0.4SS*.PPolyproline II helixtrans-53.1123.6173.900000110.3V113V113-A115 PolarHBondContact O-N 3.42Å
116S82.6Confident91Very high65 Ų6573.6 Ų73.646%0.45540%0.4SS..PPolyproline II helixtrans-85.4144.1170.1179.60000109.3T114 F118T114-S116 PolarHBondContact O-N 3.34Å; T114-S116 VanDerWaalsContact O-N 3.17Å; S116-F118 VanDerWaalsContact CB-O 3.26Å; S116-F118 WeakPolarHBondContact CB-O 3.49Å; S116-F118 PolarHBondContact O-N 3.02Å; S116-F118 PolarHBondContact OG-N 2.69Å; S116-F118 PolarHBondContact OG-O 2.83Å
117E85.1Confident91Very high105 Ų10571.3 Ų71.349%0.49139%0.392SS..SBendtrans-69.8-11.2172-69.1177.8-16200112.8R347 K351 I359E117-R347 IonicContact OE1-NH1 2.69Å; E117-R347 PolarHBondContact OE1-NH1 2.94Å; E117-R347 IonicContact OE2-CZ 3.5Å; E117-R347 IonicContact OE2-NH1 2.93Å; E117-R347 PolarHBondContact OE2-NH1 3.01Å; E117-K351 IonicContact OE2-NZ 2.64Å; E117-I359 PolarHBondContact O-N 3.46Å
118F89.5Confident91.1Very high15 Ų1566.5 Ų66.57%0.06637%0.369CS..BIsolated β-bridgetrans-145.2152.5-177.470.2-82.7000111.4L61 S116 R120 E357 F358L61-F118 WeakPolarHBondContact O-CZ 3.19Å; S116-F118 VanDerWaalsContact CB-O 3.26Å; S116-F118 WeakPolarHBondContact CB-O 3.49Å; S116-F118 PolarHBondContact O-N 3.02Å; S116-F118 PolarHBondContact OG-N 2.69Å; S116-F118 PolarHBondContact OG-O 2.83Å; F118-R120 HydrophobicContact CE2-CB 4.22Å; F118-E357 CarbonylContact C-O 3.4Å; F118-E357 WeakPolarHBondContact CA-O 3.31Å; F118-E357 HydrophobicContact CB-CB 4.44Å; F118-E357 WeakPolarHBondContact CB-O 3.4Å; F118-E357 HydrophobicContact CD2-CB 4.49Å; F118-F358 HydrophobicContact CB-CB 4.43Å; F118-F358 HydrophobicContact CB-CD1 3.62Å; F118-F358 HydrophobicContact CB-CD2 4.23Å; F118-F358 HydrophobicContact CB-CE1 3.81Å; F118-F358 HydrophobicContact CB-CE2 4.38Å; F118-F358 HydrophobicContact CB-CG 3.86Å; F118-F358 HydrophobicContact CB-CZ 4.19Å; F118-F358 HydrophobicContact CD1-CD1 4.44Å; F118-F358 AromaticContact CD1-CE1 3.87Å; F118-F358 HydrophobicContact CD1-CE1 3.87Å; F118-F358 HydrophobicContact CD1-CZ 4.23Å; F118-F358 HydrophobicContact CG-CD1 4.31Å; F118-F358 AromaticContact CG-CE1 3.98Å; F118-F358 HydrophobicContact CG-CE1 3.98Å; F118-F358 HydrophobicContact CG-CZ 4.13Å
119Q90.3Very high91.1Very high156 Ų15663.3 Ų63.373%0.72936%0.355SS*.  trans-107.9108.9173.8-172.5173.513.700109.7K121 E357Q119-K121 PolarHBondContact O-N 3.38Å; Q119-E357 PolarHBondContact N-O 3.4Å; Q119-E357 WeakPolarHBondContact O-CB 3.46Å; Q119-E357 WeakPolarHBondContact O-CG 3.46Å
120R91.8Very high91.3Very high55 Ų5561.6 Ų61.621%0.20835%0.347CS..  trans-65.6131.5179.4-164.4177.9-131.598.333.4111.2G64 C65 D66 F118 L122G64-R120 PolarHBondContact O-NH2 3.39Å; C65-R120 PolarHBondContact O-NH1 2.92Å; C65-R120 PolarHBondContact O-NH2 2.91Å; D66-R120 IonicContact OD1-CZ 2.8Å; D66-R120 VanDerWaalsContact OD1-CZ 3.27Å; D66-R120 IonicContact OD1-NE 3.29Å; D66-R120 PolarHBondContact OD1-NE 3.41Å; D66-R120 IonicContact OD1-NH2 3.63Å; D66-R120 PolarHBondContact OD1-NH2 3.48Å; F118-R120 HydrophobicContact CE2-CB 4.22Å; R120-L122 WeakPolarHBondContact CD-O 3.44Å; R120-L122 WeakPolarHBondContact CG-O 3.36Å
121K91.6Very high91.6Very high126 Ų12656.5 Ų56.555%0.54832%0.32SS..SBendtrans-95.6-22.2177.6-66.7-175.6-174.91750113.8Q119 D356 E357Q119-K121 PolarHBondContact O-N 3.38Å; K121-D356 WeakPolarHBondContact CD-OD2 3.32Å; K121-D356 VanDerWaalsContact CE-O 3.3Å; K121-D356 WeakPolarHBondContact CE-O 3.06Å; K121-D356 VanDerWaalsContact CE-OD2 3.32Å; K121-D356 WeakPolarHBondContact CE-OD2 3.05Å; K121-D356 PolarHBondContact NZ-O 3.34Å; K121-D356 IonicContact NZ-OD2 2.7Å; K121-D356 PolarHBondContact NZ-OD2 3.02Å; K121-E357 HydrophobicContact CD-CG 4.46Å; K121-E357 HydrophobicContact CG-CG 4.16Å; K121-E357 PolarHBondContact N-OE1 3.25Å
122L92.6Very high91.9Very high38 Ų3850.2 Ų50.220%0.19929%0.286CS..SBendtrans-113.1147.9-179.1-60.5179.5000111E15 R17 R120E15-L122 HydrophobicContact CB-CD1 3.95Å; E15-L122 HydrophobicContact CG-CD1 3.85Å; E15-L122 HydrophobicContact CG-CD2 4.21Å; R17-L122 HydrophobicContact CG-CD1 4.23Å; R120-L122 WeakPolarHBondContact CD-O 3.44Å; R120-L122 WeakPolarHBondContact CG-O 3.36Å
123P94.6Very high92.3Very high88 Ų8851.9 Ų51.957%0.57129%0.286SS*.PPolyproline II helixtrans-63.8147.7173.927.8-34.8000111.3R17 L125R17-P123 PolarHBondContact NH1-O 3.16Å; P123-L125 PolarHBondContact O-N 3.39Å
124V97.6Very high92.9Very high5 Ų544.8 Ų44.83%0.0324%0.243CC..PPolyproline II helixtrans-72125.4171.4172.10000109.7L61 D66 I68 R106L61-V124 HydrophobicContact CD2-CB 4.31Å; L61-V124 HydrophobicContact CD2-CG1 3.47Å; L61-V124 VanDerWaalsContact CD2-CG1 3.47Å; L61-V124 HydrophobicContact CD2-CG2 3.83Å; D66-V124 WeakPolarHBondContact O-CA 3.19Å; I68-V124 HydrophobicContact CG1-CG1 4.32Å; R106-V124 HydrophobicContact CB-CG1 4.43Å; R106-V124 WeakPolarHBondContact CD-O 3.3Å; R106-V124 HydrophobicContact CG-CB 3.93Å; R106-V124 HydrophobicContact CG-CG1 4.05Å; R106-V124 PolarHBondContact NH1-O 3.21Å
125L98.3Very high93.6Very high9 Ų940.5 Ų40.55%0.04722%0.217CC..EExtended strand (participates in β ladder)trans-96.9151174.6-54.3176.4000111.1W12 R17 D66 V67 I68 P123 D173 F174 W334W12-L125 HydrophobicContact CZ2-CD1 4.21Å; W12-L125 HydrophobicContact CZ2-CD2 4.48Å; R17-L125 VanDerWaalsContact CZ-CD1 3.43Å; D66-L125 PolarHBondContact O-N 3.3Å; V67-L125 WeakPolarHBondContact CA-O 3.21Å; V67-L125 HydrophobicContact CG1-CB 4.49Å; V67-L125 HydrophobicContact CG2-CB 4.3Å; I68-L125 PolarHBondContact N-O 3.23Å; P123-L125 PolarHBondContact O-N 3.39Å; L125-D173 WeakPolarHBondContact CA-OD2 3.24Å; L125-D173 HydrophobicContact CB-CB 4.35Å; L125-D173 HydrophobicContact CD2-CB 4.33Å; L125-F174 HydrophobicContact CB-CE1 3.95Å; L125-F174 HydrophobicContact CD1-CE1 3.87Å; L125-W334 HydrophobicContact CD1-CH2 3.92Å
126I98.8Very high94.5Very high0 Ų035.9 Ų35.90%018%0.178CC..EExtended strand (participates in β ladder)trans-113.4111.9176.7-61.6173.6000108.2I68 T70 A102 Q103 V172 D173I68-I126 HydrophobicContact CD1-CG1 4.33Å; I68-I126 HydrophobicContact CG1-CG1 4.12Å; I68-I126 WeakPolarHBondContact O-CA 3.44Å; T70-I126 HydrophobicContact CG2-CG2 3.65Å; A102-I126 HydrophobicContact CB-CD1 4.13Å; A102-I126 HydrophobicContact CB-CG1 4.41Å; A102-I126 HydrophobicContact CB-CG2 3.91Å; Q103-I126 HydrophobicContact CB-CD1 4.09Å; Q103-I126 HydrophobicContact CG-CD1 3.45Å; Q103-I126 VanDerWaalsContact CG-CD1 3.45Å; I126-V172 HydrophobicContact CG2-CG1 4.21Å; I126-D173 PolarHBondContact N-OD2 3.26Å; I126-D173 PolarHBondContact O-N 2.92Å
127A98.8Very high94.9Very high0 Ų034.9 Ų34.90%017%0.174CC..EExtended strand (participates in β ladder)trans-87.6123174.400000109.8V67 I68 S69 T70 S129 F174 A176 W202V67-A127 HydrophobicContact CG1-CB 3.82Å; I68-A127 PolarHBondContact O-N 3.28Å; S69-A127 CarbonylContact C-O 3.49Å; S69-A127 WeakPolarHBondContact CA-O 3.4Å; T70-A127 WeakPolarHBondContact CG2-O 3.42Å; T70-A127 PolarHBondContact N-O 3.13Å; T70-A127 PolarHBondContact OG1-O 3.1Å; A127-S129 PolarHBondContact O-N 3.15Å; A127-F174 HydrophobicContact CB-CD2 4.18Å; A127-F174 HydrophobicContact CB-CE2 3.38Å; A127-F174 HydrophobicContact CB-CZ 3.77Å; A127-A176 HydrophobicContact CB-CB 3.9Å; A127-W202 HydrophobicContact CB-CH2 3.94Å; A127-W202 HydrophobicContact CB-CZ2 4.26Å
128G98.8Very high95Very high0 Ų031.5 Ų31.50%016%0.164CC..EExtended strand (participates in β ladder)trans-69.896167.900000110.3T70 L130 F174 I175 A176T70-G128 VanDerWaalsContact OG1-CA 3.31Å; T70-G128 WeakPolarHBondContact OG1-CA 3.45Å; G128-L130 PolarHBondContact O-N 3.22Å; G128-F174 PolarHBondContact N-O 3.03Å; G128-I175 WeakPolarHBondContact O-CA 3.44Å; G128-I175 WeakPolarHBondContact O-CG2 3.42Å; G128-A176 PolarHBondContact O-N 3.19Å
129S98.6Very high95Very high4 Ų435.3 Ų35.33%0.02819%0.185CC..EExtended strand (participates in β ladder)trans-78.5122.2-174.4145.60000111.6T70 T72 Y73 A127 E178T70-S129 VanDerWaalsContact O-CB 3.25Å; T70-S129 WeakPolarHBondContact O-CB 3.17Å; T70-S129 PolarHBondContact O-OG 2.94Å; T70-S129 PolarHBondContact OG1-N 2.95Å; T72-S129 CarbonylContact C-O 3.49Å; T72-S129 WeakPolarHBondContact CB-O 3.26Å; T72-S129 PolarHBondContact OG1-O 3.4Å; Y73-S129 PolarHBondContact N-O 3.28Å; Y73-S129 PolarHBondContact N-OG 3.17Å; A127-S129 PolarHBondContact O-N 3.15Å; S129-E178 WeakPolarHBondContact CB-OE1 3.36Å; S129-E178 PolarHBondContact OG-OE1 3.27Å
130L98.7Very high94.8Very high0 Ų028.3 Ų28.30%015%0.154CC..EExtended strand (participates in β ladder)trans-134.6111.5-179.7-64.8-179.4000109.6M95 G128 R163 A164 L167 I175 A176 W177 E178M95-L130 HydrophobicContact CE-CD2 4.41Å; G128-L130 PolarHBondContact O-N 3.22Å; L130-R163 VanDerWaalsContact CA-NH2 3.32Å; L130-R163 HydrophobicContact CD1-CB 4Å; L130-R163 HydrophobicContact CD2-CB 3.9Å; L130-A164 HydrophobicContact CD1-CB 4.22Å; L130-L167 HydrophobicContact CD1-CD1 4.19Å; L130-L167 HydrophobicContact CD2-CD1 3.59Å; L130-L167 HydrophobicContact CD2-CG 4.4Å; L130-L167 HydrophobicContact CG-CD1 3.78Å; L130-I175 HydrophobicContact CD1-CD1 4.41Å; L130-I175 HydrophobicContact CD1-CG2 3.85Å; L130-I175 HydrophobicContact CG-CG2 4.29Å; L130-A176 PolarHBondContact N-O 2.92Å; L130-W177 HydrophobicContact CB-CE3 3.7Å; L130-W177 HydrophobicContact CB-CZ3 3.69Å; L130-W177 HydrophobicContact CD1-CE3 4.19Å; L130-W177 HydrophobicContact CD1-CH2 3.55Å; L130-W177 HydrophobicContact CD1-CZ2 4.26Å; L130-W177 HydrophobicContact CD1-CZ3 3.5Å; L130-W177 VanDerWaalsContact CD1-CZ3 3.5Å; L130-W177 HydrophobicContact CG-CZ3 4.25Å; L130-W177 WeakPolarHBondContact O-CA 3.43Å; L130-E178 PolarHBondContact O-N 3.15Å
131G98Very high94.9Very high1 Ų125.8 Ų25.81%0.0115%0.145CC..  trans-72.6173.4170.600000113.1Y73 R163Y73-G131 WeakPolarHBondContact O-CA 3.46Å; Y73-G131 PolarHBondContact O-N 2.83Å; G131-R163 PolarHBondContact O-NH1 2.94Å; G131-R163 PolarHBondContact O-NH2 3.12Å
132P98Very high94.9Very high0 Ų020.5 Ų20.50%012%0.122CC..  trans-70.9174.1-179.936.4-38.6000111G134 A135 E142 E178 T179 E185P132-G134 PolarHBondContact O-N 3.18Å; P132-A135 HydrophobicContact CG-CB 4.11Å; P132-A135 WeakPolarHBondContact O-CB 3.25Å; P132-A135 PolarHBondContact O-N 3.27Å; P132-A135 VanDerWaalsContact O-N 3.12Å; P132-E142 HydrophobicContact CG-CB 3.48Å; P132-E142 VanDerWaalsContact CG-CB 3.48Å; P132-E178 VanDerWaalsContact CD-O 3.22Å; P132-E178 WeakPolarHBondContact CD-O 3.4Å; P132-T179 WeakPolarHBondContact CG-O 3.24Å; P132-E185 WeakPolarHBondContact CA-OE1 3.48Å; P132-E185 WeakPolarHBondContact CB-OE1 3.34Å
133Y97.8Very high94.9Very high79 Ų7919.7 Ų19.731%0.3112%0.117SC..Hα-helixtrans-50.8-45173-179.2-86.7000111.7A135 C136 A137 Y147 V151 L156 F159 E185Y133-A135 VanDerWaalsContact C-N 3.26Å; Y133-A135 PolarHBondContact O-N 3.29Å; Y133-C136 PolarHBondContact O-N 3.41Å; Y133-A137 HydrophobicContact CE1-CB 4.41Å; Y133-A137 PolarHBondContact O-N 2.87Å; Y133-Y147 HydrophobicContact CD1-CD1 4.23Å; Y133-Y147 AromaticContact CD1-CD2 3.81Å; Y133-Y147 HydrophobicContact CD1-CD2 3.81Å; Y133-Y147 HydrophobicContact CD1-CE2 4.19Å; Y133-Y147 AromaticContact CD1-CG 3.83Å; Y133-Y147 HydrophobicContact CD1-CG 3.83Å; Y133-Y147 HydrophobicContact CE1-CG 4.44Å; Y133-Y147 HydrophobicContact CG-CD2 4.34Å; Y133-Y147 HydrophobicContact CG-CE2 4.38Å; Y133-V151 HydrophobicContact CD1-CG2 3.99Å; Y133-V151 HydrophobicContact CD2-CG1 4.42Å; Y133-V151 HydrophobicContact CE1-CG2 3.53Å; Y133-V151 HydrophobicContact CE2-CG1 4.28Å; Y133-V151 HydrophobicContact CE2-CG2 4.18Å; Y133-V151 HydrophobicContact CG-CG2 4.49Å; Y133-L156 HydrophobicContact CD2-CD2 4.22Å; Y133-L156 HydrophobicContact CG-CD2 4.06Å; Y133-F159 AromaticContact CD2-CD1 3.94Å; Y133-F159 HydrophobicContact CD2-CD1 3.94Å; Y133-F159 HydrophobicContact CD2-CD2 4.23Å; Y133-F159 HydrophobicContact CD2-CE1 4.07Å; Y133-F159 HydrophobicContact CD2-CE2 4.37Å; Y133-F159 HydrophobicContact CD2-CG 4.02Å; Y133-F159 HydrophobicContact CD2-CZ 4.29Å; Y133-E185 PolarHBondContact N-OE1 2.9Å
134G95.2Very high94.8Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-57.7-35.6-179.900000114.2P132 C136 A137 A138 S141 Y147P132-G134 PolarHBondContact O-N 3.18Å; G134-C136 VanDerWaalsContact C-N 3.29Å; G134-C136 PolarHBondContact O-N 3.2Å; G134-A137 WeakPolarHBondContact O-CB 3.25Å; G134-A137 PolarHBondContact O-N 3.38Å; G134-A138 PolarHBondContact O-N 3.42Å; G134-S141 WeakPolarHBondContact CA-OG 3.46Å; G134-Y147 VanDerWaalsContact CA-CE1 3.45Å
135A94.6Very high94.6Very high0 Ų017.6 Ų17.60%010%0.103CC..Hα-helixtrans-65-36.4177.900000111.4Y73 Q74 P132 Y133 A138 E142Y73-A135 HydrophobicContact CD1-CB 4.37Å; Y73-A135 HydrophobicContact CE1-CB 3.64Å; Q74-A135 HydrophobicContact CG-CB 3.98Å; Q74-A135 VanDerWaalsContact CG-O 3.28Å; Q74-A135 WeakPolarHBondContact CG-O 3.39Å; Q74-A135 PolarHBondContact NE2-O 2.92Å; P132-A135 HydrophobicContact CG-CB 4.11Å; P132-A135 WeakPolarHBondContact O-CB 3.25Å; P132-A135 PolarHBondContact O-N 3.27Å; P132-A135 VanDerWaalsContact O-N 3.12Å; Y133-A135 VanDerWaalsContact C-N 3.26Å; Y133-A135 PolarHBondContact O-N 3.29Å; A135-A138 PolarHBondContact O-N 3.46Å; A135-E142 HydrophobicContact CB-CB 4.24Å
136C93.9Very high94.4Very high8 Ų820.6 Ų20.65%0.05413%0.125CC..Hα-helixtrans-79.9-21.9177.8-63.90000113.2A76 T79 Y133 G134 A138 F159A76-C136 HydrophobicContact CB-CB 4.35Å; T79-C136 PolarHBondContact OG1-O 2.81Å; Y133-C136 PolarHBondContact O-N 3.41Å; G134-C136 VanDerWaalsContact C-N 3.29Å; G134-C136 PolarHBondContact O-N 3.2Å; C136-A138 VanDerWaalsContact C-N 3.28Å; C136-F159 HydrophobicContact CB-CE2 4.18Å; C136-F159 HydrophobicContact CB-CZ 3.68Å
137A91.1Very high94.3Very high43 Ų4320.8 Ų20.836%0.35513%0.126SC..Hα-helixtrans-70.9-27.2166.400000111.9Y133 G134 D139Y133-A137 HydrophobicContact CE1-CB 4.41Å; Y133-A137 PolarHBondContact O-N 2.87Å; G134-A137 WeakPolarHBondContact O-CB 3.25Å; G134-A137 PolarHBondContact O-N 3.38Å; A137-D139 VanDerWaalsContact C-N 3.31Å; A137-D139 PolarHBondContact O-N 3.48Å
138A87.3Confident94.1Very high34 Ų3422 Ų2228%0.28114%0.136SC..THydrogen-bonded Turntrans57.939.2175.600000113.6L39 G134 A135 C136L39-A138 HydrophobicContact CD1-CB 3.55Å; G134-A138 PolarHBondContact O-N 3.42Å; A135-A138 PolarHBondContact O-N 3.46Å; C136-A138 VanDerWaalsContact C-N 3.28Å
139D87.6Confident93.8Very high96 Ų9629.8 Ų29.851%0.51318%0.177SC..SBendtrans-115.64.717964.1-2.8000113.2A137 S141A137-D139 VanDerWaalsContact C-N 3.31Å; A137-D139 PolarHBondContact O-N 3.48Å; D139-S141 VanDerWaalsContact C-N 3.29Å; D139-S141 WeakPolarHBondContact OD1-CB 3.37Å; D139-S141 PolarHBondContact OD1-N 2.7Å; D139-S141 PolarHBondContact OD1-OG 3.4Å
140G88.1Confident93.7Very high8 Ų837.1 Ų37.18%0.08221%0.211CC..SBendtrans83.34-178.500000113.6E142 Y143G140-E142 WeakPolarHBondContact CA-OE2 3.49Å; G140-E142 PolarHBondContact N-OE2 3.04Å; G140-E142 PolarHBondContact O-N 2.83Å; G140-Y143 PolarHBondContact O-N 2.68Å; G140-Y143 VanDerWaalsContact O-N 3.1Å
141S92.2Very high93.6Very high2 Ų237.5 Ų37.51%0.01421%0.214CC..G310 helixtrans-69.7-11.8-179.963.20000113.8G134 D139 Y143 T144 G145 S146 Y147G134-S141 WeakPolarHBondContact CA-OG 3.46Å; D139-S141 VanDerWaalsContact C-N 3.29Å; D139-S141 WeakPolarHBondContact OD1-CB 3.37Å; D139-S141 PolarHBondContact OD1-N 2.7Å; D139-S141 PolarHBondContact OD1-OG 3.4Å; S141-Y143 PolarHBondContact O-N 2.93Å; S141-T144 WeakPolarHBondContact CA-OG1 2.99Å; S141-T144 PolarHBondContact O-N 2.7Å; S141-T144 VanDerWaalsContact O-N 3.16Å; S141-G145 WeakPolarHBondContact O-CA 3.41Å; S141-G145 PolarHBondContact O-N 3.48Å; S141-S146 WeakPolarHBondContact CB-OG 3.38Å; S141-Y147 VanDerWaalsContact OG-CD1 3.26Å; S141-Y147 WeakPolarHBondContact OG-CD1 3.28Å
142E91.5Very high93.6Very high16 Ų1640 Ų408%0.07523%0.23CC..G310 helixtrans-58.8-20.8166.267.6-85.3-156.800113.2P132 A135 G140 P181P132-E142 HydrophobicContact CG-CB 3.48Å; P132-E142 VanDerWaalsContact CG-CB 3.48Å; A135-E142 HydrophobicContact CB-CB 4.24Å; G140-E142 WeakPolarHBondContact CA-OE2 3.49Å; G140-E142 PolarHBondContact N-OE2 3.04Å; G140-E142 PolarHBondContact O-N 2.83Å; E142-P181 WeakPolarHBondContact O-CB 3.23Å
143Y92.5Very high93.6Very high20 Ų2043.5 Ų43.58%0.07825%0.246CC..G310 helixtrans-103.91.4178.4-55.1-63.8000113.9G140 S141 T179 S214 N240 W279 F291G140-Y143 PolarHBondContact O-N 2.68Å; G140-Y143 VanDerWaalsContact O-N 3.1Å; S141-Y143 PolarHBondContact O-N 2.93Å; Y143-T179 HydrophobicContact CD1-CG2 4.18Å; Y143-T179 HydrophobicContact CE1-CG2 3.72Å; Y143-S214 VanDerWaalsContact C-CB 3.49Å; Y143-S214 WeakPolarHBondContact O-CB 3.4Å; Y143-S214 PolarHBondContact O-OG 2.91Å; Y143-N240 HydrophobicContact CD1-CB 3.75Å; Y143-N240 HydrophobicContact CE1-CB 4.04Å; Y143-W279 VanDerWaalsContact CB-CG 3.48Å; Y143-W279 AromaticContact CD2-CD2 3.48Å; Y143-W279 HydrophobicContact CD2-CD2 3.48Å; Y143-W279 VanDerWaalsContact CD2-CD2 3.48Å; Y143-W279 AromaticContact CD2-CE2 3.76Å; Y143-W279 AromaticContact CD2-CE3 3.55Å; Y143-W279 HydrophobicContact CD2-CE3 3.55Å; Y143-W279 AromaticContact CD2-CG 3.96Å; Y143-W279 HydrophobicContact CD2-CG 3.96Å; Y143-W279 HydrophobicContact CD2-CH2 4.1Å; Y143-W279 HydrophobicContact CD2-CZ2 4.06Å; Y143-W279 AromaticContact CD2-CZ3 3.86Å; Y143-W279 HydrophobicContact CD2-CZ3 3.86Å; Y143-W279 HydrophobicContact CE2-CD2 4.31Å; Y143-W279 AromaticContact CE2-CE3 3.92Å; Y143-W279 HydrophobicContact CE2-CE3 3.92Å; Y143-W279 HydrophobicContact CE2-CZ3 4.04Å; Y143-W279 HydrophobicContact CG-CB 4.13Å; Y143-W279 AromaticContact CG-CD2 3.84Å; Y143-W279 HydrophobicContact CG-CD2 3.84Å; Y143-W279 HydrophobicContact CG-CE3 4.26Å; Y143-W279 AromaticContact CG-CG 3.78Å; Y143-W279 HydrophobicContact CG-CG 3.78Å; Y143-F291 HydrophobicContact CD1-CZ 4.3Å; Y143-F291 HydrophobicContact CD2-CE2 4.48Å; Y143-F291 HydrophobicContact CD2-CZ 4.36Å; Y143-F291 HydrophobicContact CE1-CE2 4.44Å; Y143-F291 AromaticContact CE1-CZ 3.72Å; Y143-F291 HydrophobicContact CE1-CZ 3.72Å; Y143-F291 AromaticContact CE2-CE2 3.74Å; Y143-F291 HydrophobicContact CE2-CE2 3.74Å; Y143-F291 AromaticContact CE2-CZ 3.81Å; Y143-F291 HydrophobicContact CE2-CZ 3.81Å; Y143-F291 AromaticContact CZ-CE2 3.72Å; Y143-F291 AromaticContact CZ-CZ 3.46Å; Y143-F291 VanDerWaalsContact CZ-CZ 3.46Å
144T93Very high93.6Very high45 Ų4545 Ų4528%0.27626%0.259SS..THydrogen-bonded Turntrans-132.6-22.1-178.267.50000113.9S141 S146 P281S141-T144 WeakPolarHBondContact CA-OG1 2.99Å; S141-T144 PolarHBondContact O-N 2.7Å; S141-T144 VanDerWaalsContact O-N 3.16Å; T144-S146 PolarHBondContact O-N 2.89Å; T144-S146 PolarHBondContact OG1-N 3.44Å; T144-S146 PolarHBondContact OG1-OG 2.8Å; T144-P281 HydrophobicContact CG2-CG 4.5Å
145G94.3Very high93.8Very high4 Ų450.1 Ų50.14%0.04128%0.283CS..  trans64.922.2-172.200000114S141 Y147 A148S141-G145 WeakPolarHBondContact O-CA 3.41Å; S141-G145 PolarHBondContact O-N 3.48Å; G145-Y147 PolarHBondContact O-N 2.91Å; G145-A148 VanDerWaalsContact O-CB 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.42Å; G145-A148 PolarHBondContact O-N 3.28Å
146S94.4Very high94Very high72 Ų7250.2 Ų50.250%0.50328%0.284SS..G310 helixtrans-60.6-20.7-172.355.90000114.7S141 T144 A148S141-S146 WeakPolarHBondContact CB-OG 3.38Å; T144-S146 PolarHBondContact O-N 2.89Å; T144-S146 PolarHBondContact OG1-N 3.44Å; T144-S146 PolarHBondContact OG1-OG 2.8Å; S146-A148 PolarHBondContact O-N 3.36Å
147Y95.1Very high94.2Very high5 Ų549.8 Ų49.82%0.0228%0.281CS..G310 helixtrans-76.81.7175.257.2-92.1000114.3Y133 G134 S141 G145 N149 E150 V151 L156 P181 L182 E185Y133-Y147 HydrophobicContact CD1-CD1 4.23Å; Y133-Y147 AromaticContact CD1-CD2 3.81Å; Y133-Y147 HydrophobicContact CD1-CD2 3.81Å; Y133-Y147 HydrophobicContact CD1-CE2 4.19Å; Y133-Y147 AromaticContact CD1-CG 3.83Å; Y133-Y147 HydrophobicContact CD1-CG 3.83Å; Y133-Y147 HydrophobicContact CE1-CG 4.44Å; Y133-Y147 HydrophobicContact CG-CD2 4.34Å; Y133-Y147 HydrophobicContact CG-CE2 4.38Å; G134-Y147 VanDerWaalsContact CA-CE1 3.45Å; S141-Y147 VanDerWaalsContact OG-CD1 3.26Å; S141-Y147 WeakPolarHBondContact OG-CD1 3.28Å; G145-Y147 PolarHBondContact O-N 2.91Å; Y147-N149 PolarHBondContact O-N 2.64Å; Y147-N149 VanDerWaalsContact O-N 3.12Å; Y147-E150 PolarHBondContact O-N 3.42Å; Y147-V151 HydrophobicContact CD2-CG2 4.37Å; Y147-V151 PolarHBondContact O-N 3.38Å; Y147-L156 HydrophobicContact CE2-CD2 4.35Å; Y147-P181 HydrophobicContact CE1-CG 4.3Å; Y147-P181 WeakPolarHBondContact OH-CD 3.29Å; Y147-P181 WeakPolarHBondContact OH-CG 3.41Å; Y147-L182 HydrophobicContact CD2-CD1 4Å; Y147-L182 HydrophobicContact CE2-CD1 3.53Å; Y147-E185 WeakPolarHBondContact CE2-OE2 3.33Å; Y147-E185 PolarHBondContact OH-OE2 3.16Å
148A94.4Very high94.6Very high25 Ų2552.9 Ų52.921%0.20729%0.288CS..G310 helixtrans-53.4-36.4-174.500000114.5G145 S146 L182 K184G145-A148 VanDerWaalsContact O-CB 3.31Å; G145-A148 WeakPolarHBondContact O-CB 3.42Å; G145-A148 PolarHBondContact O-N 3.28Å; S146-A148 PolarHBondContact O-N 3.36Å; A148-L182 HydrophobicContact CB-CD1 3.79Å; A148-L182 HydrophobicContact CB-CD2 3.79Å; A148-L182 HydrophobicContact CB-CG 4.47Å; A148-K184 PolarHBondContact O-NZ 2.73Å
149N94.4Very high95.1Very high164 Ų16452.7 Ų52.788%0.87728%0.281SS*.G310 helixtrans-94.7-12.8-179.7-66.3-34.5000113.5Y147Y147-N149 PolarHBondContact O-N 2.64Å; Y147-N149 VanDerWaalsContact O-N 3.12Å
150E94.8Very high95.6Very high157 Ų15748.1 Ų48.173%0.73426%0.257SS*.THydrogen-bonded Turntrans-92.8-30.8-176.3-61.6-179.8176.500112Y147Y147-E150 PolarHBondContact O-N 3.42Å
151V96.9Very high96.1Very high9 Ų948.4 Ų48.46%0.05526%0.256CS..SBendtrans-112.5121.8-177.2-170.90000109.3Y133 Y147 E155 L156 K184Y133-V151 HydrophobicContact CD1-CG2 3.99Å; Y133-V151 HydrophobicContact CD2-CG1 4.42Å; Y133-V151 HydrophobicContact CE1-CG2 3.53Å; Y133-V151 HydrophobicContact CE2-CG1 4.28Å; Y133-V151 HydrophobicContact CE2-CG2 4.18Å; Y133-V151 HydrophobicContact CG-CG2 4.49Å; Y147-V151 HydrophobicContact CD2-CG2 4.37Å; Y147-V151 PolarHBondContact O-N 3.38Å; V151-E155 HydrophobicContact CG1-CB 3.66Å; V151-L156 HydrophobicContact CB-CD2 4.37Å; V151-L156 HydrophobicContact CG1-CD2 3.75Å; V151-L156 HydrophobicContact CG1-CG 3.82Å; V151-K184 PolarHBondContact O-NZ 3.29Å
152S98.2Very high96.4Very high52 Ų5250.9 Ų50.936%0.36427%0.273SS..  trans-68.9162.817871.60000112.3N154 E155 L156S152-N154 VanDerWaalsContact C-N 3.31Å; S152-N154 PolarHBondContact O-N 2.85Å; S152-E155 WeakPolarHBondContact CA-OE2 3.45Å; S152-E155 WeakPolarHBondContact CB-OE2 3.29Å; S152-E155 PolarHBondContact N-OE2 2.7Å; S152-E155 PolarHBondContact O-N 3.5Å; S152-E155 WeakPolarHBondContact OG-CB 3.47Å; S152-E155 VanDerWaalsContact OG-CD 3.3Å; S152-E155 VanDerWaalsContact OG-CG 3.27Å; S152-E155 WeakPolarHBondContact OG-CG 3.38Å; S152-E155 PolarHBondContact OG-N 3.25Å; S152-E155 PolarHBondContact OG-OE2 2.91Å; S152-L156 WeakPolarHBondContact O-CG 3.33Å; S152-L156 PolarHBondContact O-N 3.46Å; S152-L156 VanDerWaalsContact O-N 3.14Å
153F98.6Very high96.8Very high75 Ų7550.1 Ų50.133%0.32927%0.27SS..Hα-helixtrans-56.7-45.6175.6178.7-90.7000111.9E155 L156 V157 K184 E191F153-E155 PolarHBondContact O-N 3.42Å; F153-L156 WeakPolarHBondContact O-CB 3.37Å; F153-L156 PolarHBondContact O-N 3.09Å; F153-V157 HydrophobicContact CD1-CG2 4Å; F153-V157 HydrophobicContact CE1-CG2 3.6Å; F153-V157 HydrophobicContact CZ-CG2 4.03Å; F153-V157 WeakPolarHBondContact O-CG2 3.44Å; F153-V157 PolarHBondContact O-N 2.89Å; F153-K184 HydrophobicContact CD2-CG 4.44Å; F153-E191 HydrophobicContact CE1-CB 4.46Å; F153-E191 HydrophobicContact CE1-CG 4.4Å; F153-E191 HydrophobicContact CZ-CB 4.08Å; F153-E191 HydrophobicContact CZ-CG 4.5Å
154N98.6Very high97.1Very high109 Ų10949.1 Ų49.158%0.58327%0.266SS*.Hα-helixtrans-67-36.3-178.6-70.5-22.2000112.3S152 L156 V157 E158S152-N154 VanDerWaalsContact C-N 3.31Å; S152-N154 PolarHBondContact O-N 2.85Å; N154-L156 VanDerWaalsContact C-N 3.34Å; N154-V157 PolarHBondContact O-N 3.38Å; N154-E158 WeakPolarHBondContact O-CG 3.22Å; N154-E158 PolarHBondContact O-N 3.2Å
155E98.5Very high97.3Very high109 Ų10951.5 Ų51.551%0.50927%0.272SS..Hα-helixtrans-63.2-40.8174.1-74.4164.1131.500111.6V151 S152 F153 E158 F159V151-E155 HydrophobicContact CG1-CB 3.66Å; S152-E155 WeakPolarHBondContact CA-OE2 3.45Å; S152-E155 WeakPolarHBondContact CB-OE2 3.29Å; S152-E155 PolarHBondContact N-OE2 2.7Å; S152-E155 PolarHBondContact O-N 3.5Å; S152-E155 WeakPolarHBondContact OG-CB 3.47Å; S152-E155 VanDerWaalsContact OG-CD 3.3Å; S152-E155 VanDerWaalsContact OG-CG 3.27Å; S152-E155 WeakPolarHBondContact OG-CG 3.38Å; S152-E155 PolarHBondContact OG-N 3.25Å; S152-E155 PolarHBondContact OG-OE2 2.91Å; F153-E155 PolarHBondContact O-N 3.42Å; E155-E158 PolarHBondContact O-N 3.02Å; E155-F159 WeakPolarHBondContact O-CB 3.47Å; E155-F159 PolarHBondContact O-N 2.94Å
156L98.6Very high97.5Very high1 Ų151.6 Ų51.61%0.00527%0.272CS..Hα-helixtrans-62.5-41.7173.5-65.8171.3000111.7Y133 Y147 V151 S152 F153 N154 H160 K184 E185 S188Y133-L156 HydrophobicContact CD2-CD2 4.22Å; Y133-L156 HydrophobicContact CG-CD2 4.06Å; Y147-L156 HydrophobicContact CE2-CD2 4.35Å; V151-L156 HydrophobicContact CB-CD2 4.37Å; V151-L156 HydrophobicContact CG1-CD2 3.75Å; V151-L156 HydrophobicContact CG1-CG 3.82Å; S152-L156 WeakPolarHBondContact O-CG 3.33Å; S152-L156 PolarHBondContact O-N 3.46Å; S152-L156 VanDerWaalsContact O-N 3.14Å; F153-L156 WeakPolarHBondContact O-CB 3.37Å; F153-L156 PolarHBondContact O-N 3.09Å; N154-L156 VanDerWaalsContact C-N 3.34Å; L156-H160 WeakPolarHBondContact O-CB 3.48Å; L156-H160 PolarHBondContact O-CD2 3.33Å; L156-H160 PolarHBondContact O-N 3.25Å; L156-K184 HydrophobicContact CD1-CD 4.33Å; L156-K184 HydrophobicContact CD1-CG 4.27Å; L156-E185 HydrophobicContact CD1-CB 4.12Å; L156-E185 HydrophobicContact CD1-CG 4.34Å; L156-E185 HydrophobicContact CD2-CG 4.37Å; L156-S188 WeakPolarHBondContact CB-OG 3.5Å
157V98.8Very high97.8Very high0 Ų048.2 Ų48.20%025%0.248CC..Hα-helixtrans-60.7-52.3177.1173.90000110.8F153 N154 F159 H160 L161 E191 V192F153-V157 HydrophobicContact CD1-CG2 4Å; F153-V157 HydrophobicContact CE1-CG2 3.6Å; F153-V157 HydrophobicContact CZ-CG2 4.03Å; F153-V157 WeakPolarHBondContact O-CG2 3.44Å; F153-V157 PolarHBondContact O-N 2.89Å; N154-V157 PolarHBondContact O-N 3.38Å; V157-F159 VanDerWaalsContact C-N 3.34Å; V157-F159 PolarHBondContact O-N 3.43Å; V157-H160 PolarHBondContact O-N 3.36Å; V157-L161 WeakPolarHBondContact O-CB 3.46Å; V157-L161 PolarHBondContact O-N 3.08Å; V157-E191 HydrophobicContact CG1-CG 4.12Å; V157-E191 HydrophobicContact CG2-CB 4.12Å; V157-E191 HydrophobicContact CG2-CG 3.91Å; V157-V192 HydrophobicContact CB-CG2 4.45Å; V157-V192 HydrophobicContact CG1-CG2 3.96Å; V157-V192 VanDerWaalsContact O-CG2 3.29Å; V157-V192 WeakPolarHBondContact O-CG2 3.41Å
158E98.5Very high97.9Very high108 Ų10850 Ų5051%0.50526%0.258SS..Hα-helixtrans-65.6-38.8-177.9-66-52.8130.200111.9N154 E155 S162 R195N154-E158 WeakPolarHBondContact O-CG 3.22Å; N154-E158 PolarHBondContact O-N 3.2Å; E155-E158 PolarHBondContact O-N 3.02Å; E158-S162 WeakPolarHBondContact O-CB 3.44Å; E158-S162 PolarHBondContact O-N 3.4Å; E158-S162 VanDerWaalsContact O-N 3.08Å; E158-S162 PolarHBondContact O-OG 3.22Å; E158-R195 IonicContact OE1-NH1 3.89Å; E158-R195 PolarHBondContact OE1-NH1 3.17Å
159F98.4Very high98.1Very high30 Ų3055.6 Ų55.613%0.13228%0.279CS..Hα-helixtrans-57.2-54.4174.5172.1-103.6000111.8A76 Y133 C136 E155 V157 S162A76-F159 HydrophobicContact CB-CE2 3.9Å; A76-F159 HydrophobicContact CB-CZ 4.34Å; Y133-F159 AromaticContact CD2-CD1 3.94Å; Y133-F159 HydrophobicContact CD2-CD1 3.94Å; Y133-F159 HydrophobicContact CD2-CD2 4.23Å; Y133-F159 HydrophobicContact CD2-CE1 4.07Å; Y133-F159 HydrophobicContact CD2-CE2 4.37Å; Y133-F159 HydrophobicContact CD2-CG 4.02Å; Y133-F159 HydrophobicContact CD2-CZ 4.29Å; C136-F159 HydrophobicContact CB-CE2 4.18Å; C136-F159 HydrophobicContact CB-CZ 3.68Å; E155-F159 WeakPolarHBondContact O-CB 3.47Å; E155-F159 PolarHBondContact O-N 2.94Å; V157-F159 VanDerWaalsContact C-N 3.34Å; V157-F159 PolarHBondContact O-N 3.43Å; F159-S162 PolarHBondContact O-OG 3.02Å
160H98.7Very high98.3Very high0 Ų048.2 Ų48.20%024%0.241CC..Hα-helixtrans-70.4-39.7-178.1-74.1-44.4000112.8L156 V157 S162 R163 A164 W177 E185 V192L156-H160 WeakPolarHBondContact O-CB 3.48Å; L156-H160 PolarHBondContact O-CD2 3.33Å; L156-H160 PolarHBondContact O-N 3.25Å; V157-H160 PolarHBondContact O-N 3.36Å; H160-S162 VanDerWaalsContact C-N 3.29Å; H160-S162 PolarHBondContact O-N 2.79Å; H160-R163 PolarHBondContact ND1-NH1 2.9Å; H160-R163 PolarHBondContact O-N 3.18Å; H160-A164 WeakPolarHBondContact O-CB 3.19Å; H160-A164 PolarHBondContact O-N 3.37Å; H160-W177 HydrophobicContact CB-CH2 3.69Å; H160-W177 HydrophobicContact CB-CZ3 3.82Å; H160-W177 AromaticContact CG-CZ3 3.76Å; H160-W177 AromaticContact ND1-CZ3 3.43Å; H160-W177 WeakPolarHBondContact ND1-CZ3 3.43Å; H160-E185 IonicContact CD2-OE1 2.8Å; H160-E185 IonicContact CE1-OE1 3.44Å; H160-E185 PolarHBondContact CE1-OE1 3.35Å; H160-E185 VanDerWaalsContact CE1-OE1 3.27Å; H160-E185 WeakPolarHBondContact NE2-CG 3.44Å; H160-E185 IonicContact NE2-OE1 2.61Å; H160-E185 PolarHBondContact NE2-OE1 3.47Å; H160-V192 HydrophobicContact CB-CG2 3.88Å
161L98.7Very high98.4Very high14 Ų1442.5 Ų42.57%0.07322%0.224CC..Hα-helixtrans-58.4-42.9176.9-177.959.6000111.6V157 R163 K165 V192 R195 L196V157-L161 WeakPolarHBondContact O-CB 3.46Å; V157-L161 PolarHBondContact O-N 3.08Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.68Å; L161-K165 HydrophobicContact CD1-CD 4.37Å; L161-K165 HydrophobicContact CD1-CG 4.27Å; L161-K165 HydrophobicContact CG-CD 4.42Å; L161-K165 WeakPolarHBondContact O-CG 3.2Å; L161-K165 PolarHBondContact O-N 2.94Å; L161-K165 VanDerWaalsContact O-N 3.09Å; L161-V192 HydrophobicContact CB-CG1 4.2Å; L161-V192 HydrophobicContact CB-CG2 4Å; L161-V192 HydrophobicContact CD1-CG1 4.01Å; L161-R195 HydrophobicContact CD1-CB 4.47Å; L161-L196 HydrophobicContact CD1-CD1 3.93Å; L161-L196 HydrophobicContact CD1-CD2 3.95Å; L161-L196 HydrophobicContact CD1-CG 3.91Å
162S98.1Very high98.5Very high53 Ų5342.7 Ų42.737%0.37123%0.225SC..Hα-helixtrans-62-40-179.476.60000112.4E158 F159 H160 I166E158-S162 WeakPolarHBondContact O-CB 3.44Å; E158-S162 PolarHBondContact O-N 3.4Å; E158-S162 VanDerWaalsContact O-N 3.08Å; E158-S162 PolarHBondContact O-OG 3.22Å; F159-S162 PolarHBondContact O-OG 3.02Å; H160-S162 VanDerWaalsContact C-N 3.29Å; H160-S162 PolarHBondContact O-N 2.79Å; S162-I166 VanDerWaalsContact O-CD1 3.31Å; S162-I166 WeakPolarHBondContact O-CD1 3.5Å; S162-I166 WeakPolarHBondContact O-CG1 3.42Å
163R98.7Very high98.5Very high0 Ų043.2 Ų43.20%022%0.224CC..Hα-helixtrans-74.6-45.6180-67.316662.7-150.3-0.6111.7Y73 A75 A76 M95 L130 G131 H160 L161 K165 I166 L167Y73-R163 PolarHBondContact O-NH2 3.42Å; Y73-R163 VanDerWaalsContact O-NH2 3.13Å; A75-R163 PolarHBondContact O-NE 3.34Å; A76-R163 HydrophobicContact CB-CG 4.3Å; M95-R163 HydrophobicContact CE-CB 4.1Å; M95-R163 HydrophobicContact CE-CG 4.23Å; L130-R163 VanDerWaalsContact CA-NH2 3.32Å; L130-R163 HydrophobicContact CD1-CB 4Å; L130-R163 HydrophobicContact CD2-CB 3.9Å; G131-R163 PolarHBondContact O-NH1 2.94Å; G131-R163 PolarHBondContact O-NH2 3.12Å; H160-R163 PolarHBondContact ND1-NH1 2.9Å; H160-R163 PolarHBondContact O-N 3.18Å; L161-R163 VanDerWaalsContact C-N 3.32Å; L161-R163 PolarHBondContact O-N 2.68Å; R163-K165 VanDerWaalsContact C-N 3.34Å; R163-K165 PolarHBondContact O-N 3.03Å; R163-I166 PolarHBondContact O-N 2.92Å; R163-L167 PolarHBondContact O-N 3.42Å
164A98.8Very high98.5Very high0 Ų039.6 Ų39.60%021%0.208CC..Hα-helixtrans-60-43179.500000112.1L130 H160 I166 L167 L168 I175 W177 V192 L196L130-A164 HydrophobicContact CD1-CB 4.22Å; H160-A164 WeakPolarHBondContact O-CB 3.19Å; H160-A164 PolarHBondContact O-N 3.37Å; A164-I166 VanDerWaalsContact C-N 3.33Å; A164-I166 PolarHBondContact O-N 3.07Å; A164-L167 PolarHBondContact O-N 3.44Å; A164-L168 WeakPolarHBondContact O-CB 3.44Å; A164-L168 WeakPolarHBondContact O-CD1 3.07Å; A164-L168 VanDerWaalsContact O-CG 3.27Å; A164-L168 WeakPolarHBondContact O-CG 3.5Å; A164-L168 PolarHBondContact O-N 3.32Å; A164-I175 HydrophobicContact CB-CG1 4.48Å; A164-W177 HydrophobicContact CB-CH2 3.87Å; A164-W177 HydrophobicContact CB-CZ2 3.92Å; A164-V192 HydrophobicContact CB-CG1 4.31Å; A164-L196 HydrophobicContact CB-CD1 3.93Å
165K98.6Very high98.5Very high94 Ų9434.4 Ų34.441%0.40918%0.18SC..Hα-helixtrans-56.5-45.6177.6-80.1-176.7173.8-178.30112.5L161 R163 L167 L168 E169 L196L161-K165 HydrophobicContact CD1-CD 4.37Å; L161-K165 HydrophobicContact CD1-CG 4.27Å; L161-K165 HydrophobicContact CG-CD 4.42Å; L161-K165 WeakPolarHBondContact O-CG 3.2Å; L161-K165 PolarHBondContact O-N 2.94Å; L161-K165 VanDerWaalsContact O-N 3.09Å; R163-K165 VanDerWaalsContact C-N 3.34Å; R163-K165 PolarHBondContact O-N 3.03Å; K165-L167 PolarHBondContact O-N 3.27Å; K165-L168 PolarHBondContact O-N 2.9Å; K165-E169 VanDerWaalsContact O-CB 3.3Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.38Å; K165-E169 PolarHBondContact O-N 3.35Å; K165-L196 HydrophobicContact CG-CD2 3.98Å
166I98.7Very high98.5Very high7 Ų729.2 Ų29.24%0.03616%0.156CC..Hα-helixtrans-59-47.4-179.8-63.4160000110.9P77 K92 M95 H96 S162 R163 A164 S170P77-I166 HydrophobicContact CG-CD1 3.85Å; K92-I166 HydrophobicContact CB-CD1 4.38Å; K92-I166 HydrophobicContact CD-CD1 4.39Å; K92-I166 HydrophobicContact CG-CD1 3.79Å; K92-I166 HydrophobicContact CG-CG1 4.46Å; M95-I166 HydrophobicContact CB-CG2 3.57Å; M95-I166 HydrophobicContact CE-CD1 4.27Å; M95-I166 HydrophobicContact SD-CD1 3.9Å; H96-I166 PolarHBondContact CE1-O 3.14Å; H96-I166 PolarHBondContact ND1-O 3.25Å; S162-I166 VanDerWaalsContact O-CD1 3.31Å; S162-I166 WeakPolarHBondContact O-CD1 3.5Å; S162-I166 WeakPolarHBondContact O-CG1 3.42Å; R163-I166 PolarHBondContact O-N 2.92Å; A164-I166 VanDerWaalsContact C-N 3.33Å; A164-I166 PolarHBondContact O-N 3.07Å; I166-S170 PolarHBondContact O-N 2.89Å; I166-S170 PolarHBondContact O-OG 2.84Å
167L98.8Very high98.5Very high0 Ų029.2 Ų29.20%016%0.156CC..Hα-helixtrans-68.9-41.2-178.8-58.5-168.4000111.9T72 M95 V99 L130 R163 A164 K165 S170 G171 V172 I175T72-L167 HydrophobicContact CG2-CD2 4.21Å; M95-L167 HydrophobicContact CB-CD2 4.28Å; M95-L167 HydrophobicContact CE-CD2 4.19Å; M95-L167 HydrophobicContact CE-CG 4.45Å; V99-L167 HydrophobicContact CG2-CB 4.46Å; V99-L167 HydrophobicContact CG2-CD2 3.78Å; L130-L167 HydrophobicContact CD1-CD1 4.19Å; L130-L167 HydrophobicContact CD2-CD1 3.59Å; L130-L167 HydrophobicContact CD2-CG 4.4Å; L130-L167 HydrophobicContact CG-CD1 3.78Å; R163-L167 PolarHBondContact O-N 3.42Å; A164-L167 PolarHBondContact O-N 3.44Å; K165-L167 PolarHBondContact O-N 3.27Å; L167-S170 WeakPolarHBondContact O-CB 3.39Å; L167-S170 PolarHBondContact O-N 3.49Å; L167-S170 VanDerWaalsContact O-N 3.16Å; L167-G171 PolarHBondContact O-N 3.33Å; L167-V172 HydrophobicContact CB-CG1 4.14Å; L167-V172 HydrophobicContact CB-CG2 4.15Å; L167-V172 WeakPolarHBondContact O-CG2 3.31Å; L167-V172 PolarHBondContact O-N 3.47Å; L167-I175 HydrophobicContact CB-CD1 3.87Å; L167-I175 HydrophobicContact CD1-CD1 4.25Å
168L98.5Very high98.5Very high44 Ų4430 Ų3023%0.2316%0.16CC..Hα-helixtrans-64.4-42.9177.3-70.4166.1000112.4A164 K165 S170 G171 V172 I175 L196 A199A164-L168 WeakPolarHBondContact O-CB 3.44Å; A164-L168 WeakPolarHBondContact O-CD1 3.07Å; A164-L168 VanDerWaalsContact O-CG 3.27Å; A164-L168 WeakPolarHBondContact O-CG 3.5Å; A164-L168 PolarHBondContact O-N 3.32Å; K165-L168 PolarHBondContact O-N 2.9Å; L168-S170 PolarHBondContact O-N 3.26Å; L168-G171 PolarHBondContact O-N 3.33Å; L168-V172 HydrophobicContact CD2-CG2 4.13Å; L168-I175 HydrophobicContact CD2-CD1 4.36Å; L168-I175 HydrophobicContact CD2-CG1 4.19Å; L168-I175 HydrophobicContact CG-CD1 4.16Å; L168-I175 HydrophobicContact CG-CG1 4.22Å; L168-L196 HydrophobicContact CD1-CB 4.49Å; L168-L196 HydrophobicContact CD1-CD1 3.71Å; L168-L196 HydrophobicContact CD1-CD2 4.48Å; L168-L196 HydrophobicContact CD1-CG 4.46Å; L168-A199 HydrophobicContact CD1-CB 3.57Å; L168-A199 HydrophobicContact CD2-CB 3.65Å; L168-A199 HydrophobicContact CG-CB 4.28Å
169E98.2Very high98.4Very high141 Ų14124.9 Ų24.966%0.65914%0.136SC*.Hα-helixtrans-61.8-24.5174.9-74.3167.8-171.500112.3K165K165-E169 VanDerWaalsContact O-CB 3.3Å; K165-E169 WeakPolarHBondContact O-CB 3.5Å; K165-E169 WeakPolarHBondContact O-CG 3.38Å; K165-E169 PolarHBondContact O-N 3.35Å
170S98.4Very high98.4Very high10 Ų1023.5 Ų23.57%0.0713%0.13CC..THydrogen-bonded Turntrans-84.4-8.1176.1-45.80000113.9H96 V99 Q103 I166 L167 L168H96-S170 WeakPolarHBondContact CA-OG 3.43Å; H96-S170 PolarHBondContact ND1-OG 3.45Å; V99-S170 VanDerWaalsContact CB-CB 3.5Å; V99-S170 WeakPolarHBondContact CG1-O 3.32Å; Q103-S170 PolarHBondContact NE2-O 3.1Å; I166-S170 PolarHBondContact O-N 2.89Å; I166-S170 PolarHBondContact O-OG 2.84Å; L167-S170 WeakPolarHBondContact O-CB 3.39Å; L167-S170 PolarHBondContact O-N 3.49Å; L167-S170 VanDerWaalsContact O-N 3.16Å; L168-S170 PolarHBondContact O-N 3.26Å
171G97.8Very high98.4Very high37 Ų3723.5 Ų23.538%0.38113%0.13SC..THydrogen-bonded Turntrans82.841.8178.100000115Q103 L167 L168Q103-G171 PolarHBondContact NE2-O 3.31Å; L167-G171 PolarHBondContact O-N 3.33Å; L168-G171 PolarHBondContact O-N 3.33Å
172V98.5Very high98.4Very high13 Ų1323.1 Ų23.18%0.07913%0.128CC..  trans-66.2151.3159.1-61.40000110.3T70 V99 I126 L167 L168 I175T70-V172 HydrophobicContact CG2-CG1 4.07Å; V99-V172 HydrophobicContact CB-CG1 4.19Å; V99-V172 HydrophobicContact CG1-CG1 3.55Å; V99-V172 HydrophobicContact CG2-CG1 3.58Å; I126-V172 HydrophobicContact CG2-CG1 4.21Å; L167-V172 HydrophobicContact CB-CG1 4.14Å; L167-V172 HydrophobicContact CB-CG2 4.15Å; L167-V172 WeakPolarHBondContact O-CG2 3.31Å; L167-V172 PolarHBondContact O-N 3.47Å; L168-V172 HydrophobicContact CD2-CG2 4.13Å; V172-I175 HydrophobicContact CG2-CD1 3.93Å
173D97.8Very high98.4Very high62 Ų6222.4 Ų22.433%0.33212%0.12SC..SBendtrans-71.8-35.8179.3-66.9-71.6000111.4R106 L125 I126R106-D173 IonicContact NH1-OD2 3.8Å; R106-D173 PolarHBondContact NH1-OD2 3.25Å; L125-D173 WeakPolarHBondContact CA-OD2 3.24Å; L125-D173 HydrophobicContact CB-CB 4.35Å; L125-D173 HydrophobicContact CD2-CB 4.33Å; I126-D173 PolarHBondContact N-OD2 3.26Å; I126-D173 PolarHBondContact O-N 2.92Å
174F98.3Very high98.4Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-162.4173.9174.456.1-95.5000110.3W12 V67 L125 A127 G128 Y200 W202 F233 W334W12-F174 HydrophobicContact CE3-CD1 4.49Å; W12-F174 HydrophobicContact CH2-CB 4.28Å; W12-F174 AromaticContact CH2-CD1 3.64Å; W12-F174 HydrophobicContact CH2-CD1 3.64Å; W12-F174 HydrophobicContact CH2-CG 4.39Å; W12-F174 HydrophobicContact CZ2-CD1 4.17Å; W12-F174 HydrophobicContact CZ3-CB 4.23Å; W12-F174 AromaticContact CZ3-CD1 3.82Å; W12-F174 HydrophobicContact CZ3-CD1 3.82Å; W12-F174 HydrophobicContact CZ3-CG 4.32Å; V67-F174 HydrophobicContact CG1-CZ 3.78Å; L125-F174 HydrophobicContact CB-CE1 3.95Å; L125-F174 HydrophobicContact CD1-CE1 3.87Å; A127-F174 HydrophobicContact CB-CD2 4.18Å; A127-F174 HydrophobicContact CB-CE2 3.38Å; A127-F174 HydrophobicContact CB-CZ 3.77Å; G128-F174 PolarHBondContact N-O 3.03Å; F174-Y200 WeakPolarHBondContact CA-O 3.31Å; F174-Y200 VanDerWaalsContact CB-O 3.27Å; F174-Y200 WeakPolarHBondContact CB-O 3.41Å; F174-W202 HydrophobicContact CD2-CE3 4.11Å; F174-W202 HydrophobicContact CD2-CZ3 4.24Å; F174-W202 HydrophobicContact CE1-CZ3 4.46Å; F174-W202 HydrophobicContact CE2-CD2 4.03Å; F174-W202 AromaticContact CE2-CE3 3.33Å; F174-W202 HydrophobicContact CE2-CE3 3.33Å; F174-W202 AromaticContact CE2-CH2 3.56Å; F174-W202 HydrophobicContact CE2-CH2 3.56Å; F174-W202 HydrophobicContact CE2-CZ2 4.22Å; F174-W202 AromaticContact CE2-CZ3 3.07Å; F174-W202 HydrophobicContact CE2-CZ3 3.07Å; F174-W202 AromaticContact CZ-CE3 3.82Å; F174-W202 HydrophobicContact CZ-CE3 3.82Å; F174-W202 AromaticContact CZ-CH2 3.84Å; F174-W202 HydrophobicContact CZ-CH2 3.84Å; F174-W202 AromaticContact CZ-CZ3 3.22Å; F174-W202 HydrophobicContact CZ-CZ3 3.22Å; F174-F233 HydrophobicContact CB-CE1 4.01Å; F174-F233 HydrophobicContact CD1-CE1 4.35Å; F174-F233 HydrophobicContact CD1-CZ 4.22Å; F174-F233 HydrophobicContact CD2-CE1 4.02Å; F174-F233 AromaticContact CD2-CZ 3.98Å; F174-F233 HydrophobicContact CD2-CZ 3.98Å; F174-F233 HydrophobicContact CE1-CZ 4.4Å; F174-F233 HydrophobicContact CE2-CZ 4.2Å; F174-F233 AromaticContact CG-CE1 3.85Å; F174-F233 HydrophobicContact CG-CE1 3.85Å; F174-F233 HydrophobicContact CG-CZ 4.01Å; F174-F233 HydrophobicContact CZ-CZ 4.41Å; F174-W334 HydrophobicContact CE1-CH2 4.22Å; F174-W334 HydrophobicContact CE1-CZ3 4Å; F174-W334 HydrophobicContact CZ-CH2 4.42Å; F174-W334 AromaticContact CZ-CZ3 3.75Å; F174-W334 HydrophobicContact CZ-CZ3 3.75Å
175I98.8Very high98.4Very high0 Ų025.7 Ų25.70%013%0.134CC..EExtended strand (participates in β ladder)trans-96.6135.1173.9-59.1-63.2000110.8G128 L130 A164 L167 L168 V172 W177 Y200 C201 W202G128-I175 WeakPolarHBondContact O-CA 3.44Å; G128-I175 WeakPolarHBondContact O-CG2 3.42Å; L130-I175 HydrophobicContact CD1-CD1 4.41Å; L130-I175 HydrophobicContact CD1-CG2 3.85Å; L130-I175 HydrophobicContact CG-CG2 4.29Å; A164-I175 HydrophobicContact CB-CG1 4.48Å; L167-I175 HydrophobicContact CB-CD1 3.87Å; L167-I175 HydrophobicContact CD1-CD1 4.25Å; L168-I175 HydrophobicContact CD2-CD1 4.36Å; L168-I175 HydrophobicContact CD2-CG1 4.19Å; L168-I175 HydrophobicContact CG-CD1 4.16Å; L168-I175 HydrophobicContact CG-CG1 4.22Å; V172-I175 HydrophobicContact CG2-CD1 3.93Å; I175-W177 HydrophobicContact CG2-CD2 3.76Å; I175-W177 HydrophobicContact CG2-CE3 4.35Å; I175-W177 HydrophobicContact CG2-CG 4.12Å; I175-W177 HydrophobicContact CG2-CH2 4.34Å; I175-W177 HydrophobicContact CG2-CZ2 3.74Å; I175-Y200 PolarHBondContact N-O 2.78Å; I175-C201 HydrophobicContact CB-CB 4.02Å; I175-C201 WeakPolarHBondContact O-CA 3.41Å; I175-C201 WeakPolarHBondContact O-CB 3.39Å; I175-W202 PolarHBondContact O-N 3.43Å; I175-W202 VanDerWaalsContact O-N 3.14Å
176A98.8Very high98.4Very high0 Ų021.2 Ų21.20%012%0.115CC..EExtended strand (participates in β ladder)trans-100.9105.4167.800000108.6A127 G128 L130 E178 W202A127-A176 HydrophobicContact CB-CB 3.9Å; G128-A176 PolarHBondContact O-N 3.19Å; L130-A176 PolarHBondContact N-O 2.92Å; A176-E178 HydrophobicContact CB-CG 4.14Å; A176-E178 WeakPolarHBondContact O-CG 3.14Å; A176-W202 HydrophobicContact CB-CD2 4.24Å; A176-W202 HydrophobicContact CB-CH2 4.26Å; A176-W202 HydrophobicContact CB-CZ2 3.32Å; A176-W202 VanDerWaalsContact CB-NE1 3.3Å
177W98.8Very high98.4Very high1 Ų122 Ų220%0.00412%0.121CC..EExtended strand (participates in β ladder)trans-86120.2169.9-57.8102.3000108.5L130 H160 A164 I175 V180 I189 V192 M193 W202 I203 S204L130-W177 HydrophobicContact CB-CE3 3.7Å; L130-W177 HydrophobicContact CB-CZ3 3.69Å; L130-W177 HydrophobicContact CD1-CE3 4.19Å; L130-W177 HydrophobicContact CD1-CH2 3.55Å; L130-W177 HydrophobicContact CD1-CZ2 4.26Å; L130-W177 HydrophobicContact CD1-CZ3 3.5Å; L130-W177 VanDerWaalsContact CD1-CZ3 3.5Å; L130-W177 HydrophobicContact CG-CZ3 4.25Å; L130-W177 WeakPolarHBondContact O-CA 3.43Å; H160-W177 HydrophobicContact CB-CH2 3.69Å; H160-W177 HydrophobicContact CB-CZ3 3.82Å; H160-W177 AromaticContact CG-CZ3 3.76Å; H160-W177 AromaticContact ND1-CZ3 3.43Å; H160-W177 WeakPolarHBondContact ND1-CZ3 3.43Å; A164-W177 HydrophobicContact CB-CH2 3.87Å; A164-W177 HydrophobicContact CB-CZ2 3.92Å; I175-W177 HydrophobicContact CG2-CD2 3.76Å; I175-W177 HydrophobicContact CG2-CE3 4.35Å; I175-W177 HydrophobicContact CG2-CG 4.12Å; I175-W177 HydrophobicContact CG2-CH2 4.34Å; I175-W177 HydrophobicContact CG2-CZ2 3.74Å; W177-V180 HydrophobicContact CB-CG2 4.37Å; W177-I189 HydrophobicContact CB-CD1 4.1Å; W177-I189 HydrophobicContact CB-CG2 4.43Å; W177-I189 VanDerWaalsContact CD1-CG2 3.43Å; W177-I189 HydrophobicContact CD2-CD1 4.03Å; W177-I189 HydrophobicContact CD2-CG1 4.06Å; W177-I189 HydrophobicContact CD2-CG2 3.69Å; W177-I189 HydrophobicContact CE3-CD1 3.99Å; W177-I189 HydrophobicContact CE3-CG1 4.07Å; W177-I189 HydrophobicContact CG-CD1 4.1Å; W177-I189 HydrophobicContact CG-CG1 4.46Å; W177-I189 HydrophobicContact CG-CG2 3.61Å; W177-I189 HydrophobicContact CZ2-CG2 4.24Å; W177-I189 HydrophobicContact CZ3-CG1 4.44Å; W177-V192 HydrophobicContact CZ2-CG1 4.21Å; W177-M193 HydrophobicContact CZ2-SD 4.25Å; W177-W202 PolarHBondContact N-O 3.13Å; W177-I203 HydrophobicContact CB-CG1 4.14Å; W177-I203 HydrophobicContact CB-CG2 4.49Å; W177-I203 HydrophobicContact CG-CG1 4.35Å; W177-S204 PolarHBondContact O-N 3.32Å
178E98.5Very high98.4Very high15 Ų1522 Ų227%0.0712%0.121CC..EExtended strand (participates in β ladder)trans-121.7151.3-165-47.2-164.8-100.200111.5Y73 S129 L130 P132 A176 V180 S204 Y272Y73-E178 HydrophobicContact CD2-CB 4.01Å; Y73-E178 HydrophobicContact CE2-CB 3.86Å; S129-E178 WeakPolarHBondContact CB-OE1 3.36Å; S129-E178 PolarHBondContact OG-OE1 3.27Å; L130-E178 PolarHBondContact O-N 3.15Å; P132-E178 VanDerWaalsContact CD-O 3.22Å; P132-E178 WeakPolarHBondContact CD-O 3.4Å; A176-E178 HydrophobicContact CB-CG 4.14Å; A176-E178 WeakPolarHBondContact O-CG 3.14Å; E178-V180 PolarHBondContact O-N 3.19Å; E178-S204 CarbonylContact C-O 2.99Å; E178-Y272 VanDerWaalsContact CG-OH 3.22Å; E178-Y272 WeakPolarHBondContact CG-OH 3.31Å; E178-Y272 WeakPolarHBondContact OE2-CE2 3.45Å; E178-Y272 VanDerWaalsContact OE2-CZ 3.29Å; E178-Y272 PolarHBondContact OE2-OH 2.94Å
179T97.5Very high98.4Very high1 Ų119.9 Ų19.91%0.00611%0.11CC..EExtended strand (participates in β ladder)trans53.730.7170.3-36.70000113.2Y73 P132 Y143 P181 S204 N238 C239Y73-T179 WeakPolarHBondContact CE2-OG1 3.18Å; Y73-T179 WeakPolarHBondContact OH-CB 3.22Å; Y73-T179 PolarHBondContact OH-OG1 3.29Å; P132-T179 WeakPolarHBondContact CG-O 3.24Å; Y143-T179 HydrophobicContact CD1-CG2 4.18Å; Y143-T179 HydrophobicContact CE1-CG2 3.72Å; T179-P181 VanDerWaalsContact O-CD 3.27Å; T179-P181 WeakPolarHBondContact O-CD 3.41Å; T179-S204 PolarHBondContact N-O 3.38Å; T179-N238 WeakPolarHBondContact CA-OD1 3.49Å; T179-N238 PolarHBondContact N-OD1 3.4Å; T179-N238 PolarHBondContact OG1-ND2 2.86Å; T179-C239 HydrophobicContact CG2-CB 4.34Å
180V98.5Very high98.4Very high1 Ų113.2 Ų13.21%0.0068%0.078CC..EExtended strand (participates in β ladder)trans-70.6120.1-174.6-175.90000109.7W177 E178 E185 V186 I189 I203 S204 V205 S206W177-V180 HydrophobicContact CB-CG2 4.37Å; E178-V180 PolarHBondContact O-N 3.19Å; V180-E185 HydrophobicContact CG1-CB 3.89Å; V180-E185 HydrophobicContact CG1-CG 3.96Å; V180-V186 HydrophobicContact CB-CG2 4.37Å; V180-V186 HydrophobicContact CG1-CG2 3.75Å; V180-I189 HydrophobicContact CG1-CD1 4.29Å; V180-I189 HydrophobicContact CG2-CD1 3.79Å; V180-I203 HydrophobicContact CG2-CG2 4.27Å; V180-S204 PolarHBondContact N-O 3.08Å; V180-V205 HydrophobicContact CB-CG1 4.31Å; V180-V205 VanDerWaalsContact O-CA 3.26Å; V180-V205 WeakPolarHBondContact O-CA 3.33Å; V180-V205 VanDerWaalsContact O-CB 3.26Å; V180-V205 WeakPolarHBondContact O-CB 3.27Å; V180-S206 PolarHBondContact O-N 2.87Å; V180-S206 VanDerWaalsContact O-N 3.12Å
181P98Very high98.4Very high0 Ų015.1 Ų15.10%09%0.086CC..  trans-92.5-10.9-172.632.8-32000114E142 Y147 T179 T213 G215E142-P181 WeakPolarHBondContact O-CB 3.23Å; Y147-P181 HydrophobicContact CE1-CG 4.3Å; Y147-P181 WeakPolarHBondContact OH-CD 3.29Å; Y147-P181 WeakPolarHBondContact OH-CG 3.41Å; T179-P181 VanDerWaalsContact O-CD 3.27Å; T179-P181 WeakPolarHBondContact O-CD 3.41Å; P181-T213 WeakPolarHBondContact O-CB 3.06Å; P181-T213 PolarHBondContact O-OG1 3.22Å; P181-G215 VanDerWaalsContact O-CA 3.28Å; P181-G215 WeakPolarHBondContact O-CA 3.19Å; P181-G215 PolarHBondContact O-N 2.88Å
182L98.4Very high98.5Very high7 Ų713.3 Ų13.34%0.0377%0.068CC..  trans-130.9134.9-168.6-68164.6000111.6Y147 A148 K184 E185 V186 D217Y147-L182 HydrophobicContact CD2-CD1 4Å; Y147-L182 HydrophobicContact CE2-CD1 3.53Å; A148-L182 HydrophobicContact CB-CD1 3.79Å; A148-L182 HydrophobicContact CB-CD2 3.79Å; A148-L182 HydrophobicContact CB-CG 4.47Å; L182-K184 VanDerWaalsContact C-N 3.27Å; L182-K184 PolarHBondContact O-N 3.5Å; L182-E185 HydrophobicContact CB-CB 4.07Å; L182-E185 WeakPolarHBondContact O-CB 3.27Å; L182-E185 PolarHBondContact O-N 2.82Å; L182-V186 PolarHBondContact O-N 3.47Å; L182-D217 WeakPolarHBondContact CA-OD2 3.41Å
183L98.3Very high98.5Very high37 Ų3712.7 Ų12.719%0.1946%0.064CC..Hα-helixtrans-60.1-39.1171.2175.760.9000111.3E185 V186 S187 D217 V222 E225L183-E185 PolarHBondContact O-N 3.24Å; L183-V186 HydrophobicContact CD1-CB 4.46Å; L183-V186 WeakPolarHBondContact O-CB 3.27Å; L183-V186 PolarHBondContact O-N 3.27Å; L183-V186 VanDerWaalsContact O-N 3.11Å; L183-S187 PolarHBondContact O-N 3.28Å; L183-S187 PolarHBondContact O-OG 3.26Å; L183-D217 HydrophobicContact CB-CB 3.62Å; L183-D217 VanDerWaalsContact CB-CG 3.42Å; L183-D217 WeakPolarHBondContact CB-OD2 3.36Å; L183-D217 PolarHBondContact N-OD2 2.77Å; L183-V222 HydrophobicContact CB-CG2 4.5Å; L183-V222 HydrophobicContact CD1-CG2 4.03Å; L183-E225 HydrophobicContact CD1-CB 3.93Å; L183-E225 HydrophobicContact CD1-CG 4.41Å
184K98.6Very high98.4Very high70 Ų7014.4 Ų14.430%0.3047%0.066SC..Hα-helixtrans-52.9-37.8173.7-177.6-172.1-175.4-176.30112.1A148 V151 F153 L156 L182 S188A148-K184 PolarHBondContact O-NZ 2.73Å; V151-K184 PolarHBondContact O-NZ 3.29Å; F153-K184 HydrophobicContact CD2-CG 4.44Å; L156-K184 HydrophobicContact CD1-CD 4.33Å; L156-K184 HydrophobicContact CD1-CG 4.27Å; L182-K184 VanDerWaalsContact C-N 3.27Å; L182-K184 PolarHBondContact O-N 3.5Å; K184-S188 PolarHBondContact O-N 2.91Å; K184-S188 VanDerWaalsContact O-N 3.1Å
185E98.7Very high98.4Very high0 Ų019.3 Ų19.30%08%0.084CC..Hα-helixtrans-81.6-34.3179.4-169.7168.6-167.900112.3P132 Y133 Y147 L156 H160 V180 L182 L183 S187 S188 I189P132-E185 WeakPolarHBondContact CA-OE1 3.48Å; P132-E185 WeakPolarHBondContact CB-OE1 3.34Å; Y133-E185 PolarHBondContact N-OE1 2.9Å; Y147-E185 WeakPolarHBondContact CE2-OE2 3.33Å; Y147-E185 PolarHBondContact OH-OE2 3.16Å; L156-E185 HydrophobicContact CD1-CB 4.12Å; L156-E185 HydrophobicContact CD1-CG 4.34Å; L156-E185 HydrophobicContact CD2-CG 4.37Å; H160-E185 IonicContact CD2-OE1 2.8Å; H160-E185 IonicContact CE1-OE1 3.44Å; H160-E185 PolarHBondContact CE1-OE1 3.35Å; H160-E185 VanDerWaalsContact CE1-OE1 3.27Å; H160-E185 WeakPolarHBondContact NE2-CG 3.44Å; H160-E185 IonicContact NE2-OE1 2.61Å; H160-E185 PolarHBondContact NE2-OE1 3.47Å; V180-E185 HydrophobicContact CG1-CB 3.89Å; V180-E185 HydrophobicContact CG1-CG 3.96Å; L182-E185 HydrophobicContact CB-CB 4.07Å; L182-E185 WeakPolarHBondContact O-CB 3.27Å; L182-E185 PolarHBondContact O-N 2.82Å; L183-E185 PolarHBondContact O-N 3.24Å; E185-S187 VanDerWaalsContact C-N 3.3Å; E185-S187 PolarHBondContact O-N 3.03Å; E185-S188 WeakPolarHBondContact CA-OG 3.41Å; E185-S188 PolarHBondContact O-N 3.49Å; E185-S188 PolarHBondContact O-OG 3.3Å; E185-I189 HydrophobicContact CG-CD1 4.25Å; E185-I189 WeakPolarHBondContact O-CB 3.44Å; E185-I189 WeakPolarHBondContact O-CD1 3.37Å; E185-I189 VanDerWaalsContact O-CG1 3.27Å; E185-I189 WeakPolarHBondContact O-CG1 3.45Å; E185-I189 PolarHBondContact O-N 2.82Å
186V98.7Very high98.3Very high0 Ų020.4 Ų20.40%09%0.09CC..Hα-helixtrans-57.6-45.5167.31740000110.8V180 L182 L183 S188 I189 C190 I203 V205 V222 V226V180-V186 HydrophobicContact CB-CG2 4.37Å; V180-V186 HydrophobicContact CG1-CG2 3.75Å; L182-V186 PolarHBondContact O-N 3.47Å; L183-V186 HydrophobicContact CD1-CB 4.46Å; L183-V186 WeakPolarHBondContact O-CB 3.27Å; L183-V186 PolarHBondContact O-N 3.27Å; L183-V186 VanDerWaalsContact O-N 3.11Å; V186-S188 PolarHBondContact O-N 3.25Å; V186-I189 PolarHBondContact O-N 3.02Å; V186-C190 PolarHBondContact O-N 3.04Å; V186-C190 PolarHBondContact O-SG 3.31Å; V186-I203 HydrophobicContact CG1-CD1 4.15Å; V186-I203 HydrophobicContact CG2-CG2 4.18Å; V186-V205 HydrophobicContact CG2-CG1 4Å; V186-V222 HydrophobicContact CG1-CG1 4.27Å; V186-V222 HydrophobicContact CG2-CG1 4.23Å; V186-V226 HydrophobicContact CG1-CG2 3.8Å
187S98.7Very high98Very high23 Ų2324.5 Ų24.516%0.16112%0.117CC..Hα-helixtrans-62.6-40.2176.4-67.20000112.3L183 E185 C190 E191 E225L183-S187 PolarHBondContact O-N 3.28Å; L183-S187 PolarHBondContact O-OG 3.26Å; E185-S187 VanDerWaalsContact C-N 3.3Å; E185-S187 PolarHBondContact O-N 3.03Å; S187-C190 PolarHBondContact O-N 2.85Å; S187-E191 PolarHBondContact O-N 2.91Å; S187-E225 WeakPolarHBondContact OG-CG 3.44Å; S187-E225 PolarHBondContact OG-OE1 3.33Å
188S98.8Very high97.7Very high0 Ų028.6 Ų28.60%015%0.145CC..Hα-helixtrans-68.5-38.4177.672.30000111.6L156 K184 E185 V186 E191 V192L156-S188 WeakPolarHBondContact CB-OG 3.5Å; K184-S188 PolarHBondContact O-N 2.91Å; K184-S188 VanDerWaalsContact O-N 3.1Å; E185-S188 WeakPolarHBondContact CA-OG 3.41Å; E185-S188 PolarHBondContact O-N 3.49Å; E185-S188 PolarHBondContact O-OG 3.3Å; V186-S188 PolarHBondContact O-N 3.25Å; S188-E191 WeakPolarHBondContact O-CB 3.38Å; S188-E191 PolarHBondContact O-N 3.37Å; S188-V192 WeakPolarHBondContact O-CG2 3.32Å; S188-V192 PolarHBondContact O-N 3.44Å
189I98.8Very high97.6Very high0 Ų028.3 Ų28.30%015%0.145CC..Hα-helixtrans-61.8-42.9171.8-71.7163.5000110.8W177 V180 E185 V186 E191 V192 M193 I203W177-I189 HydrophobicContact CB-CD1 4.1Å; W177-I189 HydrophobicContact CB-CG2 4.43Å; W177-I189 VanDerWaalsContact CD1-CG2 3.43Å; W177-I189 HydrophobicContact CD2-CD1 4.03Å; W177-I189 HydrophobicContact CD2-CG1 4.06Å; W177-I189 HydrophobicContact CD2-CG2 3.69Å; W177-I189 HydrophobicContact CE3-CD1 3.99Å; W177-I189 HydrophobicContact CE3-CG1 4.07Å; W177-I189 HydrophobicContact CG-CD1 4.1Å; W177-I189 HydrophobicContact CG-CG1 4.46Å; W177-I189 HydrophobicContact CG-CG2 3.61Å; W177-I189 HydrophobicContact CZ2-CG2 4.24Å; W177-I189 HydrophobicContact CZ3-CG1 4.44Å; V180-I189 HydrophobicContact CG1-CD1 4.29Å; V180-I189 HydrophobicContact CG2-CD1 3.79Å; E185-I189 HydrophobicContact CG-CD1 4.25Å; E185-I189 WeakPolarHBondContact O-CB 3.44Å; E185-I189 WeakPolarHBondContact O-CD1 3.37Å; E185-I189 VanDerWaalsContact O-CG1 3.27Å; E185-I189 WeakPolarHBondContact O-CG1 3.45Å; E185-I189 PolarHBondContact O-N 2.82Å; V186-I189 PolarHBondContact O-N 3.02Å; I189-E191 VanDerWaalsContact C-N 3.28Å; I189-E191 PolarHBondContact O-N 3.13Å; I189-V192 WeakPolarHBondContact O-CB 3.45Å; I189-V192 PolarHBondContact O-N 2.93Å; I189-V192 VanDerWaalsContact O-N 3.12Å; I189-M193 HydrophobicContact CG2-CG 4.46Å; I189-M193 WeakPolarHBondContact O-CG 3.45Å; I189-M193 PolarHBondContact O-N 3.32Å; I189-I203 HydrophobicContact CB-CD1 4.31Å; I189-I203 HydrophobicContact CG2-CD1 3.62Å; I189-I203 HydrophobicContact CG2-CG1 4.12Å
190C98.3Very high97.6Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-59.7-40.6175-69.50000111.5V186 S187 M193 R194 C229V186-C190 PolarHBondContact O-N 3.04Å; V186-C190 PolarHBondContact O-SG 3.31Å; S187-C190 PolarHBondContact O-N 2.85Å; C190-M193 PolarHBondContact O-N 3.09Å; C190-R194 WeakPolarHBondContact O-CG 3.33Å; C190-R194 PolarHBondContact O-N 2.97Å; C190-C229 HydrophobicContact CB-CB 4.04Å
191E98.6Very high97.5Very high50 Ų5029.6 Ų29.623%0.23415%0.15CC..Hα-helixtrans-63.2-41.5173175.358.1-162.400112.6F153 V157 S187 S188 I189 M193 R194 R195F153-E191 HydrophobicContact CE1-CB 4.46Å; F153-E191 HydrophobicContact CE1-CG 4.4Å; F153-E191 HydrophobicContact CZ-CB 4.08Å; F153-E191 HydrophobicContact CZ-CG 4.5Å; V157-E191 HydrophobicContact CG1-CG 4.12Å; V157-E191 HydrophobicContact CG2-CB 4.12Å; V157-E191 HydrophobicContact CG2-CG 3.91Å; S187-E191 PolarHBondContact O-N 2.91Å; S188-E191 WeakPolarHBondContact O-CB 3.38Å; S188-E191 PolarHBondContact O-N 3.37Å; I189-E191 VanDerWaalsContact C-N 3.28Å; I189-E191 PolarHBondContact O-N 3.13Å; E191-M193 VanDerWaalsContact C-N 3.33Å; E191-M193 PolarHBondContact O-N 3.11Å; E191-R194 PolarHBondContact O-N 3.43Å; E191-R194 IonicContact OE2-NH1 2.75Å; E191-R195 WeakPolarHBondContact O-CG 3.49Å; E191-R195 PolarHBondContact O-N 3.04Å; E191-R195 IonicContact OE1-CZ 3.54Å; E191-R195 IonicContact OE1-NE 2.77Å; E191-R195 PolarHBondContact OE1-NE 3.37Å; E191-R195 IonicContact OE1-NH2 2.94Å; E191-R195 PolarHBondContact OE1-NH2 3.24Å
192V98.8Very high97.6Very high0 Ų029.7 Ų29.70%015%0.151CC..Hα-helixtrans-56.3-47.6172.2168.70000111.1V157 H160 L161 A164 W177 S188 I189 R194 R195 L196V157-V192 HydrophobicContact CB-CG2 4.45Å; V157-V192 HydrophobicContact CG1-CG2 3.96Å; V157-V192 VanDerWaalsContact O-CG2 3.29Å; V157-V192 WeakPolarHBondContact O-CG2 3.41Å; H160-V192 HydrophobicContact CB-CG2 3.88Å; L161-V192 HydrophobicContact CB-CG1 4.2Å; L161-V192 HydrophobicContact CB-CG2 4Å; L161-V192 HydrophobicContact CD1-CG1 4.01Å; A164-V192 HydrophobicContact CB-CG1 4.31Å; W177-V192 HydrophobicContact CZ2-CG1 4.21Å; S188-V192 WeakPolarHBondContact O-CG2 3.32Å; S188-V192 PolarHBondContact O-N 3.44Å; I189-V192 WeakPolarHBondContact O-CB 3.45Å; I189-V192 PolarHBondContact O-N 2.93Å; I189-V192 VanDerWaalsContact O-N 3.12Å; V192-R194 VanDerWaalsContact C-N 3.35Å; V192-R194 PolarHBondContact O-N 2.88Å; V192-R195 WeakPolarHBondContact O-CB 3.47Å; V192-R195 PolarHBondContact O-N 3.09Å; V192-R195 VanDerWaalsContact O-N 3.1Å; V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 WeakPolarHBondContact O-CG 3.48Å; V192-L196 PolarHBondContact O-N 2.64Å
193M98.1Very high97.6Very high0 Ų029.3 Ų29.30%015%0.149CC..Hα-helixtrans-67.8-33.7-178.2-63-53.9-58.600112.6W177 I189 C190 E191 R195 L196 A199 C201 Q231W177-M193 HydrophobicContact CZ2-SD 4.25Å; I189-M193 HydrophobicContact CG2-CG 4.46Å; I189-M193 WeakPolarHBondContact O-CG 3.45Å; I189-M193 PolarHBondContact O-N 3.32Å; C190-M193 PolarHBondContact O-N 3.09Å; E191-M193 VanDerWaalsContact C-N 3.33Å; E191-M193 PolarHBondContact O-N 3.11Å; M193-R195 PolarHBondContact O-N 3.27Å; M193-L196 CarbonylContact O-C 3.58Å; M193-L196 VanDerWaalsContact O-C 3.24Å; M193-L196 WeakPolarHBondContact O-CA 3Å; M193-L196 PolarHBondContact O-N 2.65Å; M193-A199 HydrophobicContact CE-CB 3.78Å; M193-A199 WeakPolarHBondContact CE-O 3.4Å; M193-C201 HydrophobicContact CE-CB 3.91Å; M193-C201 VanDerWaalsContact CG-SG 3.6Å; M193-C201 HydrophobicContact SD-CB 4.09Å; M193-Q231 HydrophobicContact CB-CB 3.75Å; M193-Q231 HydrophobicContact CB-CG 4.23Å; M193-Q231 HydrophobicContact CE-CB 4.03Å; M193-Q231 PolarHBondContact O-NE2 2.72Å
194R97.1Very high97.6Very high97 Ų9727.6 Ų27.637%0.36614%0.14SC..Hα-helixtrans-61-32.6171.1-71.4179.4-162.81173.6112.7C190 E191 V192 L196C190-R194 WeakPolarHBondContact O-CG 3.33Å; C190-R194 PolarHBondContact O-N 2.97Å; E191-R194 PolarHBondContact O-N 3.43Å; E191-R194 IonicContact OE2-NH1 2.75Å; V192-R194 VanDerWaalsContact C-N 3.35Å; V192-R194 PolarHBondContact O-N 2.88Å; R194-L196 VanDerWaalsContact C-N 3.26Å; R194-L196 PolarHBondContact O-N 3.18Å
195R97.9Very high97.6Very high104 Ų10424.2 Ų24.239%0.39213%0.125SC..THydrogen-bonded Turntrans-78.2-8.6174.2-62.3175.6-172.9-168.55.1113.6E158 L161 E191 V192 M193 P197E158-R195 IonicContact OE1-NH1 3.89Å; E158-R195 PolarHBondContact OE1-NH1 3.17Å; L161-R195 HydrophobicContact CD1-CB 4.47Å; E191-R195 WeakPolarHBondContact O-CG 3.49Å; E191-R195 PolarHBondContact O-N 3.04Å; E191-R195 IonicContact OE1-CZ 3.54Å; E191-R195 IonicContact OE1-NE 2.77Å; E191-R195 PolarHBondContact OE1-NE 3.37Å; E191-R195 IonicContact OE1-NH2 2.94Å; E191-R195 PolarHBondContact OE1-NH2 3.24Å; V192-R195 WeakPolarHBondContact O-CB 3.47Å; V192-R195 PolarHBondContact O-N 3.09Å; V192-R195 VanDerWaalsContact O-N 3.1Å; M193-R195 PolarHBondContact O-N 3.27Å; R195-P197 VanDerWaalsContact C-CD 3.45Å; R195-P197 WeakPolarHBondContact O-CD 3.24Å
196L96.8Very high97.4Very high23 Ų2324.2 Ų24.212%0.1213%0.125CC..  trans-12364.6-179.5-59.4171.1000109.8L161 A164 K165 L168 V192 M193 R194 S198 A199L161-L196 HydrophobicContact CD1-CD1 3.93Å; L161-L196 HydrophobicContact CD1-CD2 3.95Å; L161-L196 HydrophobicContact CD1-CG 3.91Å; A164-L196 HydrophobicContact CB-CD1 3.93Å; K165-L196 HydrophobicContact CG-CD2 3.98Å; L168-L196 HydrophobicContact CD1-CB 4.49Å; L168-L196 HydrophobicContact CD1-CD1 3.71Å; L168-L196 HydrophobicContact CD1-CD2 4.48Å; L168-L196 HydrophobicContact CD1-CG 4.46Å; V192-L196 HydrophobicContact CG1-CD1 3.83Å; V192-L196 WeakPolarHBondContact O-CG 3.48Å; V192-L196 PolarHBondContact O-N 2.64Å; M193-L196 CarbonylContact O-C 3.58Å; M193-L196 VanDerWaalsContact O-C 3.24Å; M193-L196 WeakPolarHBondContact O-CA 3Å; M193-L196 PolarHBondContact O-N 2.65Å; R194-L196 VanDerWaalsContact C-N 3.26Å; R194-L196 PolarHBondContact O-N 3.18Å; L196-S198 PolarHBondContact O-N 3.48Å; L196-A199 HydrophobicContact CB-CB 3.97Å; L196-A199 WeakPolarHBondContact O-CB 3.4Å; L196-A199 PolarHBondContact O-N 2.84Å
197P91.8Very high97.3Very high86 Ų8624.2 Ų24.256%0.55813%0.125SC*.THydrogen-bonded Turntrans-63.8-18.8-165.525.8-36.6000115.5R195R195-P197 VanDerWaalsContact C-CD 3.45Å; R195-P197 WeakPolarHBondContact O-CD 3.24Å
198S92.6Very high97.1Very high86 Ų8625.9 Ų25.960%0.60114%0.135SC*.THydrogen-bonded Turntrans-89.1-9.1175.7-54.60000113.3N5 L196N5-S198 PolarHBondContact ND2-O 3.45Å; L196-S198 PolarHBondContact O-N 3.48Å
199A96.2Very high96.8Very high9 Ų928.5 Ų28.57%0.07415%0.149CC..  trans-96.3151.6-176.300000111.4L168 M193 L196 Q231L168-A199 HydrophobicContact CD1-CB 3.57Å; L168-A199 HydrophobicContact CD2-CB 3.65Å; L168-A199 HydrophobicContact CG-CB 4.28Å; M193-A199 HydrophobicContact CE-CB 3.78Å; M193-A199 WeakPolarHBondContact CE-O 3.4Å; L196-A199 HydrophobicContact CB-CB 3.97Å; L196-A199 WeakPolarHBondContact O-CB 3.4Å; L196-A199 PolarHBondContact O-N 2.84Å; A199-Q231 WeakPolarHBondContact O-CB 3.31Å; A199-Q231 VanDerWaalsContact O-CG 3.29Å; A199-Q231 WeakPolarHBondContact O-CG 3.33Å
200Y97.1Very high96.7Very high30 Ų3028.5 Ų28.512%0.11815%0.149CC..  trans-125.3159175.8-71.7-86.3000110.2N5 V9 F174 I175 Q231N5-Y200 HydrophobicContact CB-CD2 4.12Å; N5-Y200 HydrophobicContact CB-CE2 3.32Å; V9-Y200 HydrophobicContact CG2-CD1 3.46Å; V9-Y200 VanDerWaalsContact CG2-CD1 3.46Å; V9-Y200 HydrophobicContact CG2-CD2 4.12Å; V9-Y200 HydrophobicContact CG2-CE1 3.57Å; V9-Y200 HydrophobicContact CG2-CE2 4.27Å; V9-Y200 HydrophobicContact CG2-CG 3.72Å; F174-Y200 WeakPolarHBondContact CA-O 3.31Å; F174-Y200 VanDerWaalsContact CB-O 3.27Å; F174-Y200 WeakPolarHBondContact CB-O 3.41Å; I175-Y200 PolarHBondContact N-O 2.78Å; Y200-Q231 CarbonylContact C-O 3.56Å; Y200-Q231 VanDerWaalsContact CA-O 3.27Å; Y200-Q231 WeakPolarHBondContact CA-O 3.42Å; Y200-Q231 WeakPolarHBondContact CD1-O 3.48Å
201C98.2Very high96.6Very high0 Ų032.6 Ų32.60%017%0.169CC..EExtended strand (participates in β ladder)trans-152.1163.917669.30000113.1I175 M193 Q231 V232 F233I175-C201 HydrophobicContact CB-CB 4.02Å; I175-C201 WeakPolarHBondContact O-CA 3.41Å; I175-C201 WeakPolarHBondContact O-CB 3.39Å; M193-C201 HydrophobicContact CE-CB 3.91Å; M193-C201 VanDerWaalsContact CG-SG 3.6Å; M193-C201 HydrophobicContact SD-CB 4.09Å; C201-Q231 PolarHBondContact N-O 2.97Å; C201-V232 CarbonylContact O-C 3.57Å; C201-V232 WeakPolarHBondContact O-CA 3.38Å; C201-F233 VanDerWaalsContact C-CD1 3.41Å; C201-F233 WeakPolarHBondContact O-CD1 3.33Å; C201-F233 WeakPolarHBondContact O-CE1 3.41Å; C201-F233 PolarHBondContact O-N 2.8Å
202W98.2Very high96.5Very high1 Ų134.2 Ų34.20%0.00418%0.175CC..EExtended strand (participates in β ladder)trans-105.5160152.670.460.3000110.1L19 V67 A127 F174 I175 A176 W177 F233 G234 L270 W334L19-W202 HydrophobicContact CD1-CH2 4.33Å; L19-W202 HydrophobicContact CD2-CH2 3.8Å; L19-W202 HydrophobicContact CD2-CZ3 4.03Å; V67-W202 HydrophobicContact CG1-CH2 3.88Å; V67-W202 HydrophobicContact CG1-CZ3 4.24Å; A127-W202 HydrophobicContact CB-CH2 3.94Å; A127-W202 HydrophobicContact CB-CZ2 4.26Å; F174-W202 HydrophobicContact CD2-CE3 4.11Å; F174-W202 HydrophobicContact CD2-CZ3 4.24Å; F174-W202 HydrophobicContact CE1-CZ3 4.46Å; F174-W202 HydrophobicContact CE2-CD2 4.03Å; F174-W202 AromaticContact CE2-CE3 3.33Å; F174-W202 HydrophobicContact CE2-CE3 3.33Å; F174-W202 AromaticContact CE2-CH2 3.56Å; F174-W202 HydrophobicContact CE2-CH2 3.56Å; F174-W202 HydrophobicContact CE2-CZ2 4.22Å; F174-W202 AromaticContact CE2-CZ3 3.07Å; F174-W202 HydrophobicContact CE2-CZ3 3.07Å; F174-W202 AromaticContact CZ-CE3 3.82Å; F174-W202 HydrophobicContact CZ-CE3 3.82Å; F174-W202 AromaticContact CZ-CH2 3.84Å; F174-W202 HydrophobicContact CZ-CH2 3.84Å; F174-W202 AromaticContact CZ-CZ3 3.22Å; F174-W202 HydrophobicContact CZ-CZ3 3.22Å; I175-W202 PolarHBondContact O-N 3.43Å; I175-W202 VanDerWaalsContact O-N 3.14Å; A176-W202 HydrophobicContact CB-CD2 4.24Å; A176-W202 HydrophobicContact CB-CH2 4.26Å; A176-W202 HydrophobicContact CB-CZ2 3.32Å; A176-W202 VanDerWaalsContact CB-NE1 3.3Å; W177-W202 PolarHBondContact N-O 3.13Å; W202-F233 HydrophobicContact CB-CZ 4.34Å; W202-F233 HydrophobicContact CE3-CE2 4.25Å; W202-F233 AromaticContact CE3-CZ 3.81Å; W202-F233 HydrophobicContact CE3-CZ 3.81Å; W202-G234 CarbonylContact C-O 3.11Å; W202-G234 WeakPolarHBondContact CA-O 3.41Å; W202-G234 WeakPolarHBondContact CB-O 3.39Å; W202-L270 HydrophobicContact CB-CD1 4.25Å; W202-L270 HydrophobicContact CB-CD2 3.98Å; W202-L270 HydrophobicContact CD2-CD1 3.62Å; W202-L270 HydrophobicContact CE3-CD1 4.05Å; W202-L270 HydrophobicContact CG-CD1 3.69Å; W202-L270 HydrophobicContact CG-CD2 4.31Å; W202-L270 HydrophobicContact CZ2-CD1 4.47Å; W202-W334 AromaticContact CE3-CE3 3.73Å; W202-W334 HydrophobicContact CE3-CE3 3.73Å; W202-W334 AromaticContact CE3-CZ3 3.74Å; W202-W334 HydrophobicContact CE3-CZ3 3.74Å; W202-W334 AromaticContact CZ3-CE3 3.4Å; W202-W334 HydrophobicContact CZ3-CE3 3.4Å; W202-W334 AromaticContact CZ3-CZ3 3.43Å; W202-W334 HydrophobicContact CZ3-CZ3 3.43Å; W202-W334 VanDerWaalsContact CZ3-CZ3 3.43Å
203I98.6Very high96.5Very high0 Ų034.3 Ų34.30%018%0.175CC..EExtended strand (participates in β ladder)trans-122.5120.7169.8-57.9-180000109.2W177 V180 V186 I189 V205 V226 V232 G234 V235 G236W177-I203 HydrophobicContact CB-CG1 4.14Å; W177-I203 HydrophobicContact CB-CG2 4.49Å; W177-I203 HydrophobicContact CG-CG1 4.35Å; V180-I203 HydrophobicContact CG2-CG2 4.27Å; V186-I203 HydrophobicContact CG1-CD1 4.15Å; V186-I203 HydrophobicContact CG2-CG2 4.18Å; I189-I203 HydrophobicContact CB-CD1 4.31Å; I189-I203 HydrophobicContact CG2-CD1 3.62Å; I189-I203 HydrophobicContact CG2-CG1 4.12Å; I203-V205 HydrophobicContact CG2-CG1 4.41Å; I203-V226 HydrophobicContact CD1-CG2 4.18Å; I203-V232 HydrophobicContact CD1-CG1 4.3Å; I203-V232 HydrophobicContact CD1-CG2 3.9Å; I203-V232 HydrophobicContact CG1-CG1 4.07Å; I203-V232 HydrophobicContact CG1-CG2 4.35Å; I203-G234 PolarHBondContact N-O 3.5Å; I203-V235 CarbonylContact O-C 3.59Å; I203-V235 VanDerWaalsContact O-CA 3.25Å; I203-V235 WeakPolarHBondContact O-CA 3.48Å; I203-G236 PolarHBondContact O-N 3.41Å
204S98.4Very high96.4Very high0 Ų035.3 Ų35.30%018%0.182CC..EExtended strand (participates in β ladder)trans-110.9129.4172-173.60000110.2W177 E178 T179 V180 G236 V237 N238 Y272W177-S204 PolarHBondContact O-N 3.32Å; E178-S204 CarbonylContact C-O 2.99Å; T179-S204 PolarHBondContact N-O 3.38Å; V180-S204 PolarHBondContact N-O 3.08Å; S204-G236 WeakPolarHBondContact CA-O 3.37Å; S204-V237 WeakPolarHBondContact OG-CA 3.37Å; S204-N238 VanDerWaalsContact CB-OD1 3.24Å; S204-N238 WeakPolarHBondContact CB-OD1 3.42Å; S204-N238 WeakPolarHBondContact OG-CB 3.1Å; S204-N238 VanDerWaalsContact OG-CG 3.23Å; S204-N238 PolarHBondContact OG-N 2.88Å; S204-N238 VanDerWaalsContact OG-N 3.08Å; S204-N238 PolarHBondContact OG-OD1 3.19Å; S204-Y272 WeakPolarHBondContact CB-OH 3.45Å
205V98.3Very high96.3Very high0 Ų032.2 Ų32.20%018%0.18CC..EExtended strand (participates in β ladder)trans-102.6150.2-178.7-61.90000111.7V180 V186 I203 T213 L219 V222 G236 V237 N238 L253V180-V205 HydrophobicContact CB-CG1 4.31Å; V180-V205 VanDerWaalsContact O-CA 3.26Å; V180-V205 WeakPolarHBondContact O-CA 3.33Å; V180-V205 VanDerWaalsContact O-CB 3.26Å; V180-V205 WeakPolarHBondContact O-CB 3.27Å; V186-V205 HydrophobicContact CG2-CG1 4Å; I203-V205 HydrophobicContact CG2-CG1 4.41Å; V205-T213 HydrophobicContact CB-CG2 4.29Å; V205-T213 HydrophobicContact CG1-CG2 4.48Å; V205-T213 HydrophobicContact CG2-CG2 4.49Å; V205-L219 HydrophobicContact CG2-CD2 3.51Å; V205-V222 HydrophobicContact CG1-CG1 3.89Å; V205-G236 PolarHBondContact N-O 3.15Å; V205-V237 HydrophobicContact CG2-CG1 4.12Å; V205-V237 WeakPolarHBondContact O-CA 3.47Å; V205-N238 PolarHBondContact O-N 2.88Å; V205-L253 HydrophobicContact CG2-CD1 4.37Å; V205-L253 HydrophobicContact CG2-CD2 4.47Å
206S95.4Very high96.3Very high0 Ų029.2 Ų29.20%018%0.182CC..  trans-80.1129167177.40000108.9V180 T213 S214V180-S206 PolarHBondContact O-N 2.87Å; V180-S206 VanDerWaalsContact O-N 3.12Å; S206-T213 CarbonylContact O-C 3.53Å; S206-T213 WeakPolarHBondContact O-CA 3.25Å; S206-S214 PolarHBondContact O-N 3.21Å; S206-S214 PolarHBondContact OG-OG 2.88Å
207S96Very high96.3Very high0 Ų030.5 Ų30.50%019%0.189CC..  trans-141.9109.8-178178.30000111.1D209 G210 K212 N240 I241S207-D209 VanDerWaalsContact C-N 3.28Å; S207-D209 PolarHBondContact O-N 3.36Å; S207-G210 WeakPolarHBondContact OG-CA 3.43Å; S207-G210 PolarHBondContact OG-N 2.48Å; S207-K212 VanDerWaalsContact CA-O 3.31Å; S207-K212 WeakPolarHBondContact CA-O 3.43Å; S207-K212 WeakPolarHBondContact CB-O 3.31Å; S207-K212 PolarHBondContact OG-O 3.49Å; S207-N240 CarbonylContact C-O 3.5Å; S207-N240 VanDerWaalsContact C-O 3.23Å; S207-N240 PolarHBondContact N-O 3.48Å; S207-I241 WeakPolarHBondContact O-CA 3.26Å; S207-I241 WeakPolarHBondContact O-CD1 3.27Å
208P94.2Very high96.6Very high58 Ų5830.7 Ų30.738%0.37719%0.185SC..SBendtrans-76-12.5-176.130.8-35.7000114.1P242P208-P242 VanDerWaalsContact O-CD 3.22Å; P208-P242 WeakPolarHBondContact O-CD 3.23Å; P208-P242 WeakPolarHBondContact O-CG 3.36Å
209D94.3Very high96.8Very high55 Ų5526.6 Ų26.629%0.29416%0.156SC..SBendtrans-138.30.5-171.362.410.5000114.5S207 E211 K212S207-D209 VanDerWaalsContact C-N 3.28Å; S207-D209 PolarHBondContact O-N 3.36Å; D209-E211 PolarHBondContact O-N 2.78Å; D209-E211 PolarHBondContact OD1-N 3.01Å; D209-K212 PolarHBondContact OD1-N 3.39Å
210G95.3Very high96.7Very high0 Ų027.4 Ų27.40%016%0.163CC..SBendtrans69.15.5-175.400000115S207 L219 K248 G249 N252S207-G210 WeakPolarHBondContact OG-CA 3.43Å; S207-G210 PolarHBondContact OG-N 2.48Å; G210-L219 WeakPolarHBondContact O-CD1 3.28Å; G210-K248 CarbonylContact O-C 3.4Å; G210-G249 VanDerWaalsContact O-CA 3.32Å; G210-G249 WeakPolarHBondContact O-CA 3.5Å; G210-G249 PolarHBondContact O-N 2.79Å; G210-N252 PolarHBondContact O-ND2 2.94Å
211E96.4Very high96.7Very high86 Ų8628.4 Ų28.440%0.40217%0.174SC..SBendtrans-113.1-38.9175.3-68.8-173.2179.100112.6D209 L219 K248D209-E211 PolarHBondContact O-N 2.78Å; D209-E211 PolarHBondContact OD1-N 3.01Å; E211-L219 WeakPolarHBondContact O-CB 3.34Å; E211-L219 WeakPolarHBondContact O-CG 3.36Å; E211-L219 PolarHBondContact O-N 3.08Å; E211-K248 HydrophobicContact CG-CD 4.13Å; E211-K248 VanDerWaalsContact CG-NZ 3.29Å; E211-K248 WeakPolarHBondContact OE1-CE 3.48Å; E211-K248 IonicContact OE1-NZ 3.86Å; E211-K248 PolarHBondContact OE1-NZ 2.98Å
212K97.5Very high96.6Very high84 Ų8428.4 Ų28.437%0.36517%0.174SC..BIsolated β-bridgetrans-123155.1-176.1-67.7174-176.61770111.2S207 D209 D217 L218S207-K212 VanDerWaalsContact CA-O 3.31Å; S207-K212 WeakPolarHBondContact CA-O 3.43Å; S207-K212 WeakPolarHBondContact CB-O 3.31Å; S207-K212 PolarHBondContact OG-O 3.49Å; D209-K212 PolarHBondContact OD1-N 3.39Å; K212-D217 CarbonylContact C-O 3.55Å; K212-D217 WeakPolarHBondContact CA-O 3.39Å; K212-D217 WeakPolarHBondContact CB-O 3.49Å; K212-L218 HydrophobicContact CG-CD2 4.06Å
213T97.7Very high96.4Very high2 Ų228.8 Ų28.81%0.01218%0.178CC..  trans-66.1163.9163.267.90000110P181 V205 S206 G215 G216 D217 L219 V222P181-T213 WeakPolarHBondContact O-CB 3.06Å; P181-T213 PolarHBondContact O-OG1 3.22Å; V205-T213 HydrophobicContact CB-CG2 4.29Å; V205-T213 HydrophobicContact CG1-CG2 4.48Å; V205-T213 HydrophobicContact CG2-CG2 4.49Å; S206-T213 CarbonylContact O-C 3.53Å; S206-T213 WeakPolarHBondContact O-CA 3.25Å; T213-G215 PolarHBondContact O-N 3.27Å; T213-G215 VanDerWaalsContact O-N 3.15Å; T213-G215 PolarHBondContact OG1-N 2.92Å; T213-G216 PolarHBondContact O-N 3.43Å; T213-G216 PolarHBondContact OG1-N 3.27Å; T213-D217 HydrophobicContact CG2-CB 4.31Å; T213-D217 PolarHBondContact N-O 2.92Å; T213-D217 PolarHBondContact OG1-N 3.04Å; T213-L219 HydrophobicContact CG2-CD2 3.89Å; T213-V222 HydrophobicContact CG2-CG2 3.77Å
214S95.9Very high96.2Very high21 Ų2130.3 Ų30.315%0.14719%0.188CC..THydrogen-bonded Turntrans-53.4-30.1171.2-89.30000114.1Y143 S206 G216Y143-S214 VanDerWaalsContact C-CB 3.49Å; Y143-S214 WeakPolarHBondContact O-CB 3.4Å; Y143-S214 PolarHBondContact O-OG 2.91Å; S206-S214 PolarHBondContact O-N 3.21Å; S206-S214 PolarHBondContact OG-OG 2.88Å; S214-G216 VanDerWaalsContact C-N 3.32Å
215G96.4Very high96Very high31 Ų3131.9 Ų31.932%0.3220%0.195SC..THydrogen-bonded Turntrans-83-2.117500000114.9P181 T213P181-G215 VanDerWaalsContact O-CA 3.28Å; P181-G215 WeakPolarHBondContact O-CA 3.19Å; P181-G215 PolarHBondContact O-N 2.88Å; T213-G215 PolarHBondContact O-N 3.27Å; T213-G215 VanDerWaalsContact O-N 3.15Å; T213-G215 PolarHBondContact OG1-N 2.92Å
216G96.6Very high95.9Very high42 Ų4231.9 Ų31.943%0.43320%0.195SC..SBendtrans95.24.1173.700000116T213 S214T213-G216 PolarHBondContact O-N 3.43Å; T213-G216 PolarHBondContact OG1-N 3.27Å; S214-G216 VanDerWaalsContact C-N 3.32Å
217D97.7Very high95.7Very high49 Ų4932.7 Ų32.726%0.26220%0.202SC..  trans-79.4144177.1-60.6-67.8000111.2L182 L183 K212 T213 L219L182-D217 WeakPolarHBondContact CA-OD2 3.41Å; L183-D217 HydrophobicContact CB-CB 3.62Å; L183-D217 VanDerWaalsContact CB-CG 3.42Å; L183-D217 WeakPolarHBondContact CB-OD2 3.36Å; L183-D217 PolarHBondContact N-OD2 2.77Å; K212-D217 CarbonylContact C-O 3.55Å; K212-D217 WeakPolarHBondContact CA-O 3.39Å; K212-D217 WeakPolarHBondContact CB-O 3.49Å; T213-D217 HydrophobicContact CG2-CB 4.31Å; T213-D217 PolarHBondContact N-O 2.92Å; T213-D217 PolarHBondContact OG1-N 3.04Å; D217-L219 PolarHBondContact O-N 2.79Å
218L97.6Very high95.5Very high90 Ų9038.5 Ų38.547%0.47123%0.228SC..BIsolated β-bridgetrans-67.2134.7178.4-66.7171.9000111.9K212 A220 S221 V222K212-L218 HydrophobicContact CG-CD2 4.06Å; L218-A220 PolarHBondContact O-N 3.5Å; L218-S221 WeakPolarHBondContact O-CA 3.31Å; L218-S221 WeakPolarHBondContact O-CB 3.36Å; L218-S221 PolarHBondContact O-N 3.17Å; L218-V222 PolarHBondContact O-N 2.81Å; L218-V222 VanDerWaalsContact O-N 3.15Å
219L96.9Very high95.4Very high0 Ų035.8 Ų35.80%021%0.21CC..Hα-helixtrans-61.2-32.4174.9-68.4-169.5000112.6V205 G210 E211 T213 D217 S221 V222 A223 V237 N252 L253V205-L219 HydrophobicContact CG2-CD2 3.51Å; G210-L219 WeakPolarHBondContact O-CD1 3.28Å; E211-L219 WeakPolarHBondContact O-CB 3.34Å; E211-L219 WeakPolarHBondContact O-CG 3.36Å; E211-L219 PolarHBondContact O-N 3.08Å; T213-L219 HydrophobicContact CG2-CD2 3.89Å; D217-L219 PolarHBondContact O-N 2.79Å; L219-S221 VanDerWaalsContact C-N 3.26Å; L219-S221 PolarHBondContact O-N 3.39Å; L219-V222 WeakPolarHBondContact O-CB 3.05Å; L219-V222 PolarHBondContact O-N 3Å; L219-A223 PolarHBondContact O-N 2.89Å; L219-V237 HydrophobicContact CD1-CG1 4.42Å; L219-N252 HydrophobicContact CB-CB 3.74Å; L219-N252 HydrophobicContact CD1-CB 4.32Å; L219-L253 HydrophobicContact CB-CD2 4.07Å; L219-L253 HydrophobicContact CB-CG 4.31Å; L219-L253 HydrophobicContact CD1-CG 4.3Å; L219-L253 HydrophobicContact CD2-CD2 4.25Å
220A94.9Very high95.3Very high27 Ų2741 Ų4122%0.22323%0.232CC..Hα-helixtrans-62.4-34172.600000112.2L218 A223 C224L218-A220 PolarHBondContact O-N 3.5Å; A220-A223 WeakPolarHBondContact O-CB 3.43Å; A220-A223 PolarHBondContact O-N 3.02Å; A220-C224 PolarHBondContact O-N 3.05Å; A220-C224 PolarHBondContact O-SG 2.85Å; A220-C224 VanDerWaalsContact O-SG 3.34Å
221S95.8Very high95.3Very high50 Ų5042.1 Ų42.135%0.3524%0.238SC..Hα-helixtrans-71.4-36.9174.5-56.50000111.9L218 L219 C224 E225L218-S221 WeakPolarHBondContact O-CA 3.31Å; L218-S221 WeakPolarHBondContact O-CB 3.36Å; L218-S221 PolarHBondContact O-N 3.17Å; L219-S221 VanDerWaalsContact C-N 3.26Å; L219-S221 PolarHBondContact O-N 3.39Å; S221-C224 PolarHBondContact O-N 3.1Å; S221-E225 PolarHBondContact O-N 2.88Å
222V96.6Very high95.2Very high0 Ų038 Ų380%022%0.219CC..Hα-helixtrans-58.8-47.7169.8172.20000110.7L183 V186 V205 T213 L218 L219 C224 E225 V226 L253L183-V222 HydrophobicContact CB-CG2 4.5Å; L183-V222 HydrophobicContact CD1-CG2 4.03Å; V186-V222 HydrophobicContact CG1-CG1 4.27Å; V186-V222 HydrophobicContact CG2-CG1 4.23Å; V205-V222 HydrophobicContact CG1-CG1 3.89Å; T213-V222 HydrophobicContact CG2-CG2 3.77Å; L218-V222 PolarHBondContact O-N 2.81Å; L218-V222 VanDerWaalsContact O-N 3.15Å; L219-V222 WeakPolarHBondContact O-CB 3.05Å; L219-V222 PolarHBondContact O-N 3Å; V222-C224 VanDerWaalsContact C-N 3.33Å; V222-C224 PolarHBondContact O-N 2.84Å; V222-E225 PolarHBondContact O-N 3.15Å; V222-E225 VanDerWaalsContact O-N 3.16Å; V222-V226 HydrophobicContact CG1-CG2 4.35Å; V222-V226 WeakPolarHBondContact O-CG2 3.34Å; V222-V226 PolarHBondContact O-N 3Å; V222-L253 HydrophobicContact CB-CD2 4.21Å; V222-L253 HydrophobicContact CG1-CD2 3.91Å
223A94.8Very high95.1Very high9 Ų934.2 Ų34.27%0.07420%0.202CC..Hα-helixtrans-56.4-47177.400000111.7L219 A220 E225 V226 A227 L253L219-A223 PolarHBondContact O-N 2.89Å; A220-A223 WeakPolarHBondContact O-CB 3.43Å; A220-A223 PolarHBondContact O-N 3.02Å; A223-E225 VanDerWaalsContact C-N 3.32Å; A223-E225 PolarHBondContact O-N 3.31Å; A223-V226 PolarHBondContact O-N 3.45Å; A223-A227 WeakPolarHBondContact O-CB 3.4Å; A223-A227 PolarHBondContact O-N 3.49Å; A223-L253 VanDerWaalsContact CB-O 3.23Å; A223-L253 WeakPolarHBondContact CB-O 3.31Å
224C93.5Very high95Very high33 Ų3334.1 Ų34.122%0.22320%0.202CC..Hα-helixtrans-63.7-35.7178-66.60000113.5A220 S221 V222 K228 C258A220-C224 PolarHBondContact O-N 3.05Å; A220-C224 PolarHBondContact O-SG 2.85Å; A220-C224 VanDerWaalsContact O-SG 3.34Å; S221-C224 PolarHBondContact O-N 3.1Å; V222-C224 VanDerWaalsContact C-N 3.33Å; V222-C224 PolarHBondContact O-N 2.84Å; C224-K228 WeakPolarHBondContact O-CE 3.48Å; C224-K228 WeakPolarHBondContact O-CG 3.35Å; C224-C258 WeakPolarHBondContact CA-SG 3.1Å; C224-C258 HydrophobicContact CB-CB 4.02Å; C224-C258 WeakPolarHBondContact CB-SG 3.29Å; C224-C258 WeakPolarHBondContact SG-CB 3.49Å; C224-C258 CovalentContact SG-SG 2.03Å; C224-C258 PolarHBondContact SG-SG 3.04Å
225E94.9Very high95.1Very high32 Ų3233.3 Ų33.315%0.1520%0.195CC..Hα-helixtrans-71.6-45.1177.6-172.962.1-17200112L183 S187 S221 V222 A223 A227 K228L183-E225 HydrophobicContact CD1-CB 3.93Å; L183-E225 HydrophobicContact CD1-CG 4.41Å; S187-E225 WeakPolarHBondContact OG-CG 3.44Å; S187-E225 PolarHBondContact OG-OE1 3.33Å; S221-E225 PolarHBondContact O-N 2.88Å; V222-E225 PolarHBondContact O-N 3.15Å; V222-E225 VanDerWaalsContact O-N 3.16Å; A223-E225 VanDerWaalsContact C-N 3.32Å; A223-E225 PolarHBondContact O-N 3.31Å; E225-A227 VanDerWaalsContact C-N 3.28Å; E225-A227 PolarHBondContact O-N 2.96Å; E225-K228 WeakPolarHBondContact O-CB 3.34Å; E225-K228 PolarHBondContact O-N 3.29Å; E225-K228 VanDerWaalsContact O-N 3.15Å; E225-K228 IonicContact OE2-NZ 2.73Å; E225-K228 PolarHBondContact OE2-NZ 3.41Å
226V94.7Very high95.2Very high0 Ų031.8 Ų31.80%018%0.18CC..Hα-helixtrans-61.2-37.6176.9168.60000111.8V186 I203 V222 A223 K228 C229 V232 V235 K267V186-V226 HydrophobicContact CG1-CG2 3.8Å; I203-V226 HydrophobicContact CD1-CG2 4.18Å; V222-V226 HydrophobicContact CG1-CG2 4.35Å; V222-V226 WeakPolarHBondContact O-CG2 3.34Å; V222-V226 PolarHBondContact O-N 3Å; A223-V226 PolarHBondContact O-N 3.45Å; V226-K228 PolarHBondContact O-N 2.93Å; V226-C229 PolarHBondContact O-N 3.02Å; V226-V232 HydrophobicContact CG1-CB 3.87Å; V226-V232 HydrophobicContact CG1-CG1 3.38Å; V226-V232 HydrophobicContact CG1-CG2 4.48Å; V226-V235 HydrophobicContact CG1-CB 4.16Å; V226-V235 HydrophobicContact CG1-CG2 4.45Å; V226-V235 HydrophobicContact CG2-CG2 4.24Å; V226-K267 HydrophobicContact CG1-CG 4.3Å; V226-K267 WeakPolarHBondContact O-CE 3.34Å
227A92.3Very high95.2Very high18 Ų1829.8 Ų29.815%0.14916%0.16CC..Hα-helixtrans-57.1-31.9177.900000112.4A223 E225 C229 T264A223-A227 WeakPolarHBondContact O-CB 3.4Å; A223-A227 PolarHBondContact O-N 3.49Å; E225-A227 VanDerWaalsContact C-N 3.28Å; E225-A227 PolarHBondContact O-N 2.96Å; A227-C229 PolarHBondContact O-N 3.25Å; A227-T264 HydrophobicContact CB-CG2 3.86Å; A227-T264 WeakPolarHBondContact O-CG2 3.39Å
228K91.6Very high95.2Very high122 Ų12227.5 Ų27.553%0.5315%0.147SC..THydrogen-bonded Turntrans-78.80.8179-56.5165.7-162.5163.70114.1C224 E225 V226C224-K228 WeakPolarHBondContact O-CE 3.48Å; C224-K228 WeakPolarHBondContact O-CG 3.35Å; E225-K228 WeakPolarHBondContact O-CB 3.34Å; E225-K228 PolarHBondContact O-N 3.29Å; E225-K228 VanDerWaalsContact O-N 3.15Å; E225-K228 IonicContact OE2-NZ 2.73Å; E225-K228 PolarHBondContact OE2-NZ 3.41Å; V226-K228 PolarHBondContact O-N 2.93Å
229C92.6Very high94.9Very high0 Ų023.3 Ų23.30%013%0.125CC..  trans-118.2110.3-179.1-1650000110C190 V226 A227 Q231 V232 K267C190-C229 HydrophobicContact CB-CB 4.04Å; V226-C229 PolarHBondContact O-N 3.02Å; A227-C229 PolarHBondContact O-N 3.25Å; C229-Q231 VanDerWaalsContact C-N 3.31Å; C229-Q231 PolarHBondContact O-N 3.21Å; C229-V232 HydrophobicContact CB-CB 4.36Å; C229-V232 HydrophobicContact CB-CG2 3.73Å; C229-V232 PolarHBondContact O-N 3.27Å; C229-K267 PolarHBondContact O-NZ 3.03Å
230E91.9Very high94.5Very high164 Ų16423.6 Ų23.677%0.76613%0.127SC*.THydrogen-bonded Turntrans-67.6-31.9-177-65.7-176167.700112.5V232E230-V232 PolarHBondContact O-N 2.75Å
231Q94.8Very high94.4Very high25 Ų2522.3 Ų22.312%0.11712%0.116CC..THydrogen-bonded Turntrans-67.9-22.8177.6-67.389-23.600113M193 A199 Y200 C201 C229 F233M193-Q231 HydrophobicContact CB-CB 3.75Å; M193-Q231 HydrophobicContact CB-CG 4.23Å; M193-Q231 HydrophobicContact CE-CB 4.03Å; M193-Q231 PolarHBondContact O-NE2 2.72Å; A199-Q231 WeakPolarHBondContact O-CB 3.31Å; A199-Q231 VanDerWaalsContact O-CG 3.29Å; A199-Q231 WeakPolarHBondContact O-CG 3.33Å; Y200-Q231 CarbonylContact C-O 3.56Å; Y200-Q231 VanDerWaalsContact CA-O 3.27Å; Y200-Q231 WeakPolarHBondContact CA-O 3.42Å; Y200-Q231 WeakPolarHBondContact CD1-O 3.48Å; C201-Q231 PolarHBondContact N-O 2.97Å; C229-Q231 VanDerWaalsContact C-N 3.31Å; C229-Q231 PolarHBondContact O-N 3.21Å; Q231-F233 PolarHBondContact O-N 3.24Å
232V95.3Very high94.2Very high0 Ų020.8 Ų20.80%011%0.105CC..EExtended strand (participates in β ladder)trans-82.1107174.5-172.40000107.6C201 I203 V226 C229 E230 G234 K267C201-V232 CarbonylContact O-C 3.57Å; C201-V232 WeakPolarHBondContact O-CA 3.38Å; I203-V232 HydrophobicContact CD1-CG1 4.3Å; I203-V232 HydrophobicContact CD1-CG2 3.9Å; I203-V232 HydrophobicContact CG1-CG1 4.07Å; I203-V232 HydrophobicContact CG1-CG2 4.35Å; V226-V232 HydrophobicContact CG1-CB 3.87Å; V226-V232 HydrophobicContact CG1-CG1 3.38Å; V226-V232 HydrophobicContact CG1-CG2 4.48Å; C229-V232 HydrophobicContact CB-CB 4.36Å; C229-V232 HydrophobicContact CB-CG2 3.73Å; C229-V232 PolarHBondContact O-N 3.27Å; E230-V232 PolarHBondContact O-N 2.75Å; V232-G234 VanDerWaalsContact CG1-O 3.25Å; V232-G234 WeakPolarHBondContact CG1-O 3.32Å; V232-K267 VanDerWaalsContact O-CD 3.23Å; V232-K267 WeakPolarHBondContact O-CD 3.22Å; V232-K267 VanDerWaalsContact O-CE 3.3Å; V232-K267 WeakPolarHBondContact O-CE 3.22Å; V232-K267 PolarHBondContact O-NZ 3.12Å
233F94.9Very high94Very high4 Ų420.8 Ų20.82%0.01811%0.105CC..EExtended strand (participates in β ladder)trans-90.1-22.1178.470.4-92.2000112.7V9 W12 F174 C201 W202 Q231 K267 L268 W334V9-F233 HydrophobicContact CG1-CB 3.74Å; W12-F233 HydrophobicContact CE3-CD1 4.16Å; W12-F233 HydrophobicContact CE3-CD2 4.3Å; W12-F233 AromaticContact CE3-CE1 3.98Å; W12-F233 HydrophobicContact CE3-CE1 3.98Å; W12-F233 HydrophobicContact CE3-CE2 4.14Å; W12-F233 HydrophobicContact CE3-CG 4.3Å; W12-F233 AromaticContact CE3-CZ 3.97Å; W12-F233 HydrophobicContact CE3-CZ 3.97Å; W12-F233 HydrophobicContact CZ3-CD1 4.19Å; W12-F233 AromaticContact CZ3-CE1 3.89Å; W12-F233 HydrophobicContact CZ3-CE1 3.89Å; W12-F233 HydrophobicContact CZ3-CZ 4.22Å; F174-F233 HydrophobicContact CB-CE1 4.01Å; F174-F233 HydrophobicContact CD1-CE1 4.35Å; F174-F233 HydrophobicContact CD1-CZ 4.22Å; F174-F233 HydrophobicContact CD2-CE1 4.02Å; F174-F233 AromaticContact CD2-CZ 3.98Å; F174-F233 HydrophobicContact CD2-CZ 3.98Å; F174-F233 HydrophobicContact CE1-CZ 4.4Å; F174-F233 HydrophobicContact CE2-CZ 4.2Å; F174-F233 AromaticContact CG-CE1 3.85Å; F174-F233 HydrophobicContact CG-CE1 3.85Å; F174-F233 HydrophobicContact CG-CZ 4.01Å; F174-F233 HydrophobicContact CZ-CZ 4.41Å; C201-F233 VanDerWaalsContact C-CD1 3.41Å; C201-F233 WeakPolarHBondContact O-CD1 3.33Å; C201-F233 WeakPolarHBondContact O-CE1 3.41Å; C201-F233 PolarHBondContact O-N 2.8Å; W202-F233 HydrophobicContact CB-CZ 4.34Å; W202-F233 HydrophobicContact CE3-CE2 4.25Å; W202-F233 AromaticContact CE3-CZ 3.81Å; W202-F233 HydrophobicContact CE3-CZ 3.81Å; Q231-F233 PolarHBondContact O-N 3.24Å; F233-K267 WeakPolarHBondContact O-CA 3.33Å; F233-L268 PolarHBondContact O-N 2.99Å; F233-W334 HydrophobicContact CE2-CE3 4.35Å; F233-W334 AromaticContact CE2-CH2 3.87Å; F233-W334 HydrophobicContact CE2-CH2 3.87Å; F233-W334 AromaticContact CE2-CZ3 3.75Å; F233-W334 HydrophobicContact CE2-CZ3 3.75Å; F233-W334 HydrophobicContact CZ-CH2 4.16Å; F233-W334 AromaticContact CZ-CZ3 3.89Å; F233-W334 HydrophobicContact CZ-CZ3 3.89Å
234G95.9Very high93.8Very high0 Ų026 Ų260%013%0.132CC..EExtended strand (participates in β ladder)trans-138.1150.7-176.500000114.1W202 I203 V232 L268W202-G234 CarbonylContact C-O 3.11Å; W202-G234 WeakPolarHBondContact CA-O 3.41Å; W202-G234 WeakPolarHBondContact CB-O 3.39Å; I203-G234 PolarHBondContact N-O 3.5Å; V232-G234 VanDerWaalsContact CG1-O 3.25Å; V232-G234 WeakPolarHBondContact CG1-O 3.32Å; G234-L268 CarbonylContact C-O 3.56Å; G234-L268 WeakPolarHBondContact CA-O 3.35Å
235V97.4Very high93.8Very high3 Ų325.5 Ų25.52%0.01813%0.128CC..EExtended strand (participates in β ladder)trans-139.1141.8176.2670000111.3I203 V226 L253 K267 L268 I269 L270I203-V235 CarbonylContact O-C 3.59Å; I203-V235 VanDerWaalsContact O-CA 3.25Å; I203-V235 WeakPolarHBondContact O-CA 3.48Å; V226-V235 HydrophobicContact CG1-CB 4.16Å; V226-V235 HydrophobicContact CG1-CG2 4.45Å; V226-V235 HydrophobicContact CG2-CG2 4.24Å; V235-L253 HydrophobicContact CG1-CB 4.4Å; V235-L253 HydrophobicContact CG2-CD1 4.34Å; V235-L253 HydrophobicContact CG2-CD2 3.89Å; V235-L253 HydrophobicContact CG2-CG 4.49Å; V235-K267 HydrophobicContact CG1-CB 4.14Å; V235-L268 PolarHBondContact N-O 3.26Å; V235-I269 HydrophobicContact CG1-CD1 3.89Å; V235-L270 VanDerWaalsContact C-CD2 3.45Å; V235-L270 WeakPolarHBondContact O-CD2 3.49Å; V235-L270 PolarHBondContact O-N 3.3Å
236G97.6Very high93.8Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-163.8-172.9-173.100000116I203 S204 V205 L253 L270I203-G236 PolarHBondContact O-N 3.41Å; S204-G236 WeakPolarHBondContact CA-O 3.37Å; V205-G236 PolarHBondContact N-O 3.15Å; G236-L253 VanDerWaalsContact O-CD1 3.27Å; G236-L253 WeakPolarHBondContact O-CD1 3.4Å; G236-L270 WeakPolarHBondContact CA-O 3.22Å
237V97.7Very high93.7Very high0 Ų024 Ų240%012%0.121CC..EExtended strand (participates in β ladder)trans-123.2145171.4-66.50000110.9S204 V205 L219 I241 L250 L253 L270 F271 Y272S204-V237 WeakPolarHBondContact OG-CA 3.37Å; V205-V237 HydrophobicContact CG2-CG1 4.12Å; V205-V237 WeakPolarHBondContact O-CA 3.47Å; L219-V237 HydrophobicContact CD1-CG1 4.42Å; V237-I241 HydrophobicContact CB-CG2 4.5Å; V237-I241 HydrophobicContact CG2-CB 4.48Å; V237-I241 HydrophobicContact CG2-CG1 4.14Å; V237-I241 HydrophobicContact CG2-CG2 4.23Å; V237-L250 HydrophobicContact CG2-CD2 4.23Å; V237-L253 HydrophobicContact CG1-CD1 3.7Å; V237-L270 PolarHBondContact N-O 3.03Å; V237-F271 HydrophobicContact CG2-CB 3.98Å; V237-F271 WeakPolarHBondContact O-CA 3.37Å; V237-F271 VanDerWaalsContact O-CB 3.27Å; V237-F271 WeakPolarHBondContact O-CB 3.33Å; V237-Y272 PolarHBondContact O-N 3.49Å
238N97.4Very high93.9Very high1 Ų127.3 Ų27.31%0.00513%0.132CC..EExtended strand (participates in β ladder)trans-147.4166177.475.7-66000113.5T179 S204 V205 N240 Y272T179-N238 WeakPolarHBondContact CA-OD1 3.49Å; T179-N238 PolarHBondContact N-OD1 3.4Å; T179-N238 PolarHBondContact OG1-ND2 2.86Å; S204-N238 VanDerWaalsContact CB-OD1 3.24Å; S204-N238 WeakPolarHBondContact CB-OD1 3.42Å; S204-N238 WeakPolarHBondContact OG-CB 3.1Å; S204-N238 VanDerWaalsContact OG-CG 3.23Å; S204-N238 PolarHBondContact OG-N 2.88Å; S204-N238 VanDerWaalsContact OG-N 3.08Å; S204-N238 PolarHBondContact OG-OD1 3.19Å; V205-N238 PolarHBondContact O-N 2.88Å; N238-N240 PolarHBondContact O-N 3.24Å; N238-Y272 WeakPolarHBondContact CA-O 3.43Å; N238-Y272 HydrophobicContact CB-CD1 3.94Å; N238-Y272 HydrophobicContact CB-CD2 3.44Å; N238-Y272 VanDerWaalsContact CB-CD2 3.44Å; N238-Y272 HydrophobicContact CB-CE1 3.75Å; N238-Y272 HydrophobicContact CB-CE2 3.24Å; N238-Y272 HydrophobicContact CB-CG 3.78Å; N238-Y272 VanDerWaalsContact CB-CZ 3.41Å; N238-Y272 VanDerWaalsContact CB-O 3.32Å; N238-Y272 WeakPolarHBondContact CB-O 3.41Å; N238-Y272 WeakPolarHBondContact ND2-CE2 3.36Å
239C91.3Very high94.1Very high1 Ų121.5 Ų21.51%0.00711%0.107CC..EExtended strand (participates in β ladder)trans59.2-89.5176-164.20000113.3T179 I241 Y272 N274 C338T179-C239 HydrophobicContact CG2-CB 4.34Å; C239-I241 PolarHBondContact O-N 3.24Å; C239-I241 VanDerWaalsContact O-N 3.16Å; C239-Y272 PolarHBondContact N-O 3.5Å; C239-Y272 VanDerWaalsContact N-O 3.1Å; C239-N274 PolarHBondContact O-N 3.28Å; C239-N274 PolarHBondContact O-ND2 2.97Å; C239-N274 PolarHBondContact O-OD1 3.33Å; C239-C338 HydrophobicContact CB-CB 4.17Å; C239-C338 VanDerWaalsContact CB-SG 3.58Å; C239-C338 VanDerWaalsContact SG-SG 3.68Å
240N89.1Confident94.2Very high7 Ų721.5 Ų21.54%0.03711%0.107CC..SBendtrans-9168.7-172-175.259.1000111.6Y143 S207 N238 W279Y143-N240 HydrophobicContact CD1-CB 3.75Å; Y143-N240 HydrophobicContact CE1-CB 4.04Å; S207-N240 CarbonylContact C-O 3.5Å; S207-N240 VanDerWaalsContact C-O 3.23Å; S207-N240 PolarHBondContact N-O 3.48Å; N238-N240 PolarHBondContact O-N 3.24Å; N240-W279 WeakPolarHBondContact OD1-CB 3.26Å; N240-W279 PolarHBondContact OD1-N 3.47Å
241I92.4Very high94.2Very high0 Ų015.3 Ų15.30%08%0.084CC..  trans-131.5119173.617868.1000108.8S207 V237 C239 H243 C245 I246 A273S207-I241 WeakPolarHBondContact O-CA 3.26Å; S207-I241 WeakPolarHBondContact O-CD1 3.27Å; V237-I241 HydrophobicContact CB-CG2 4.5Å; V237-I241 HydrophobicContact CG2-CB 4.48Å; V237-I241 HydrophobicContact CG2-CG1 4.14Å; V237-I241 HydrophobicContact CG2-CG2 4.23Å; C239-I241 PolarHBondContact O-N 3.24Å; C239-I241 VanDerWaalsContact O-N 3.16Å; I241-H243 PolarHBondContact O-N 2.88Å; I241-C245 HydrophobicContact CD1-CB 3.77Å; I241-I246 HydrophobicContact CG1-CG1 3.89Å; I241-I246 HydrophobicContact CG2-CG1 4.2Å; I241-A273 HydrophobicContact CG2-CB 4.01Å
242P92.2Very high94.2Very high17 Ų1716.3 Ų16.311%0.119%0.09CC..  trans-54.4136.6170.4-23.230.5000110.8P208 D244 C245 I246 L278P208-P242 VanDerWaalsContact O-CD 3.22Å; P208-P242 WeakPolarHBondContact O-CD 3.23Å; P208-P242 WeakPolarHBondContact O-CG 3.36Å; P242-D244 VanDerWaalsContact C-N 3.26Å; P242-D244 VanDerWaalsContact CB-OD1 3.23Å; P242-D244 WeakPolarHBondContact CB-OD1 3.48Å; P242-D244 PolarHBondContact O-N 3.11Å; P242-C245 HydrophobicContact CB-CB 4.09Å; P242-C245 HydrophobicContact CG-CB 4.42Å; P242-C245 WeakPolarHBondContact O-CA 3.5Å; P242-C245 WeakPolarHBondContact O-CB 3.07Å; P242-C245 PolarHBondContact O-N 3.39Å; P242-I246 PolarHBondContact O-N 3.43Å; P242-L278 HydrophobicContact CB-CD2 4.25Å; P242-L278 HydrophobicContact CG-CD2 3.71Å
243H91.8Very high94.1Very high0 Ų016.6 Ų16.60%09%0.092CC..G310 helixtrans-61.3-33.9-171.7-74.2-179.5000113.6I241 C245 I246 N274 G276 Y297 W302 N305I241-H243 PolarHBondContact O-N 2.88Å; H243-C245 VanDerWaalsContact C-N 3.26Å; H243-C245 PolarHBondContact O-N 3.18Å; H243-I246 HydrophobicContact CB-CD1 4.43Å; H243-I246 PolarHBondContact O-N 2.72Å; H243-N274 PolarHBondContact NE2-O 2.58Å; H243-G276 WeakPolarHBondContact NE2-CA 3.4Å; H243-G276 PolarHBondContact NE2-N 3Å; H243-Y297 HydrophobicContact CB-CE1 4.11Å; H243-Y297 AromaticContact CE1-CD1 3.85Å; H243-Y297 AromaticContact CE1-CE1 4Å; H243-Y297 AromaticContact CG-CE1 3.89Å; H243-Y297 AromaticContact ND1-CD1 3.58Å; H243-Y297 AromaticContact ND1-CE1 3.35Å; H243-Y297 WeakPolarHBondContact ND1-CE1 3.39Å; H243-W302 AromaticContact CE1-CD1 3.64Å; H243-W302 AromaticContact NE2-CD1 3.8Å; H243-N305 HydrophobicContact CB-CB 3.72Å; H243-N305 PolarHBondContact ND1-ND2 3.06Å
244D90.8Very high93.7Very high118 Ų11819.6 Ų19.663%0.63111%0.108SC*.G310 helixtrans-72.6-17.6174.363-29.1000113.3P242P242-D244 VanDerWaalsContact C-N 3.26Å; P242-D244 VanDerWaalsContact CB-OD1 3.23Å; P242-D244 WeakPolarHBondContact CB-OD1 3.48Å; P242-D244 PolarHBondContact O-N 3.11Å
245C93.8Very high92.3Very high23 Ų2320.8 Ų20.816%0.15512%0.116CC..G310 helixtrans-93.8-7.9176.2-69.30000113.7I241 P242 H243 G247 K248 G249I241-C245 HydrophobicContact CD1-CB 3.77Å; P242-C245 HydrophobicContact CB-CB 4.09Å; P242-C245 HydrophobicContact CG-CB 4.42Å; P242-C245 WeakPolarHBondContact O-CA 3.5Å; P242-C245 WeakPolarHBondContact O-CB 3.07Å; P242-C245 PolarHBondContact O-N 3.39Å; H243-C245 VanDerWaalsContact C-N 3.26Å; H243-C245 PolarHBondContact O-N 3.18Å; C245-G247 PolarHBondContact O-N 2.62Å; C245-K248 WeakPolarHBondContact O-CB 3.37Å; C245-K248 PolarHBondContact O-N 2.85Å; C245-G249 PolarHBondContact O-N 2.81Å
246I94.2Very high90.4Very high0 Ų029.3 Ų29.30%016%0.156CC..Hα-helixtrans-54.5-54.5179.9-68171.1000110.7I241 P242 H243 K248 G249 L250 F271 A273 W309I241-I246 HydrophobicContact CG1-CG1 3.89Å; I241-I246 HydrophobicContact CG2-CG1 4.2Å; P242-I246 PolarHBondContact O-N 3.43Å; H243-I246 HydrophobicContact CB-CD1 4.43Å; H243-I246 PolarHBondContact O-N 2.72Å; I246-K248 VanDerWaalsContact C-N 3.27Å; I246-K248 PolarHBondContact O-N 3.44Å; I246-G249 WeakPolarHBondContact O-CA 3.42Å; I246-G249 PolarHBondContact O-N 3.17Å; I246-L250 HydrophobicContact CG2-CD1 4.18Å; I246-L250 HydrophobicContact CG2-CG 4.23Å; I246-L250 WeakPolarHBondContact O-CG 3.08Å; I246-L250 PolarHBondContact O-N 2.76Å; I246-F271 HydrophobicContact CD1-CD2 4.08Å; I246-F271 HydrophobicContact CD1-CE2 3.96Å; I246-F271 HydrophobicContact CG2-CD1 4.11Å; I246-F271 HydrophobicContact CG2-CD2 3.97Å; I246-F271 HydrophobicContact CG2-CE1 4.3Å; I246-F271 HydrophobicContact CG2-CE2 4.16Å; I246-F271 HydrophobicContact CG2-CG 3.94Å; I246-F271 HydrophobicContact CG2-CZ 4.32Å; I246-A273 HydrophobicContact CD1-CB 4.02Å; I246-W309 HydrophobicContact CB-CG 4.34Å; I246-W309 HydrophobicContact CG2-CB 3.93Å; I246-W309 HydrophobicContact CG2-CG 3.83Å
247G93.6Very high88.1Confident0 Ų033.7 Ų33.70%018%0.183CC..Hα-helixtrans-56.8-40.5-179.700000113C245 L250 A251 P329C245-G247 PolarHBondContact O-N 2.62Å; G247-L250 PolarHBondContact O-N 3.06Å; G247-A251 WeakPolarHBondContact O-CB 3.17Å; G247-A251 PolarHBondContact O-N 2.82Å; G247-P329 VanDerWaalsContact O-CB 3.28Å; G247-P329 WeakPolarHBondContact O-CB 3.27Å
248K94.8Very high86Confident88 Ų8834.7 Ų34.738%0.38319%0.19SC..Hα-helixtrans-63.7-44.2176.1-166.6-176-172.1-169.90112G210 E211 C245 I246 A251 N252G210-K248 CarbonylContact O-C 3.4Å; E211-K248 HydrophobicContact CG-CD 4.13Å; E211-K248 VanDerWaalsContact CG-NZ 3.29Å; E211-K248 WeakPolarHBondContact OE1-CE 3.48Å; E211-K248 IonicContact OE1-NZ 3.86Å; E211-K248 PolarHBondContact OE1-NZ 2.98Å; C245-K248 WeakPolarHBondContact O-CB 3.37Å; C245-K248 PolarHBondContact O-N 2.85Å; I246-K248 VanDerWaalsContact C-N 3.27Å; I246-K248 PolarHBondContact O-N 3.44Å; K248-A251 PolarHBondContact O-N 2.97Å; K248-N252 PolarHBondContact O-N 3.24Å; K248-N252 PolarHBondContact O-ND2 3.36Å
249G95.9Very high83.7Confident0 Ų044.3 Ų44.30%023%0.231CC..Hα-helixtrans-58.4-47.8174.600000112.3G210 C245 I246 A251 N252 L253G210-G249 VanDerWaalsContact O-CA 3.32Å; G210-G249 WeakPolarHBondContact O-CA 3.5Å; G210-G249 PolarHBondContact O-N 2.79Å; C245-G249 PolarHBondContact O-N 2.81Å; I246-G249 WeakPolarHBondContact O-CA 3.42Å; I246-G249 PolarHBondContact O-N 3.17Å; G249-A251 PolarHBondContact O-N 3.19Å; G249-N252 PolarHBondContact O-N 2.61Å; G249-L253 WeakPolarHBondContact O-CB 3.2Å; G249-L253 WeakPolarHBondContact O-CG 3.33Å; G249-L253 PolarHBondContact O-N 2.98Å
250L94.9Very high81.7Confident0 Ų053.2 Ų53.20%027%0.273CS..Hα-helixtrans-63.4-40.6177.6-60.2-171.2000112.3V237 I246 G247 L253 N254 I269 F271 W309 P330 A332V237-L250 HydrophobicContact CG2-CD2 4.23Å; I246-L250 HydrophobicContact CG2-CD1 4.18Å; I246-L250 HydrophobicContact CG2-CG 4.23Å; I246-L250 WeakPolarHBondContact O-CG 3.08Å; I246-L250 PolarHBondContact O-N 2.76Å; G247-L250 PolarHBondContact O-N 3.06Å; L250-L253 PolarHBondContact O-N 3.21Å; L250-N254 VanDerWaalsContact O-CB 3.26Å; L250-N254 WeakPolarHBondContact O-CB 3.48Å; L250-N254 PolarHBondContact O-N 3.18Å; L250-I269 HydrophobicContact CB-CG2 4.12Å; L250-I269 HydrophobicContact CD1-CG2 4.15Å; L250-I269 HydrophobicContact CD2-CG2 3.67Å; L250-I269 HydrophobicContact CG-CG2 4.18Å; L250-F271 HydrophobicContact CD1-CD1 4Å; L250-F271 HydrophobicContact CD1-CE1 4.49Å; L250-F271 HydrophobicContact CD2-CB 4.22Å; L250-W309 HydrophobicContact CD1-CB 4.15Å; L250-P330 HydrophobicContact CB-CG 4.01Å; L250-P330 WeakPolarHBondContact O-CG 3.16Å; L250-A332 HydrophobicContact CD1-CB 4.03Å
251A92.8Very high79.9Confident34 Ų3454.8 Ų54.828%0.28128%0.284SS..Hα-helixtrans-61.1-45176.500000111.8G247 K248 G249 N254 S255 P329G247-A251 WeakPolarHBondContact O-CB 3.17Å; G247-A251 PolarHBondContact O-N 2.82Å; K248-A251 PolarHBondContact O-N 2.97Å; G249-A251 PolarHBondContact O-N 3.19Å; A251-N254 PolarHBondContact O-N 3.23Å; A251-S255 PolarHBondContact O-N 3.44Å; A251-S255 VanDerWaalsContact O-N 3.09Å; A251-P329 HydrophobicContact CB-CB 4.07Å; A251-P329 HydrophobicContact CB-CG 4.35Å
252N93.9Very high77.9Confident46 Ų4664.5 Ų64.525%0.24633%0.33CS..Hα-helixtrans-68.1-35.7179-75.3-43.1000112.6G210 L219 K248 G249 S255G210-N252 PolarHBondContact O-ND2 2.94Å; L219-N252 HydrophobicContact CB-CB 3.74Å; L219-N252 HydrophobicContact CD1-CB 4.32Å; K248-N252 PolarHBondContact O-N 3.24Å; K248-N252 PolarHBondContact O-ND2 3.36Å; G249-N252 PolarHBondContact O-N 2.61Å; N252-S255 PolarHBondContact O-OG 3.14Å
253L93.6Very high75.9Confident6 Ų671.4 Ų71.43%0.03137%0.366CS..Hα-helixtrans-75-26.4177-72.4175.1000114.3V205 L219 V222 A223 V235 G236 V237 G249 L250V205-L253 HydrophobicContact CG2-CD1 4.37Å; V205-L253 HydrophobicContact CG2-CD2 4.47Å; L219-L253 HydrophobicContact CB-CD2 4.07Å; L219-L253 HydrophobicContact CB-CG 4.31Å; L219-L253 HydrophobicContact CD1-CG 4.3Å; L219-L253 HydrophobicContact CD2-CD2 4.25Å; V222-L253 HydrophobicContact CB-CD2 4.21Å; V222-L253 HydrophobicContact CG1-CD2 3.91Å; A223-L253 VanDerWaalsContact CB-O 3.23Å; A223-L253 WeakPolarHBondContact CB-O 3.31Å; V235-L253 HydrophobicContact CG1-CB 4.4Å; V235-L253 HydrophobicContact CG2-CD1 4.34Å; V235-L253 HydrophobicContact CG2-CD2 3.89Å; V235-L253 HydrophobicContact CG2-CG 4.49Å; G236-L253 VanDerWaalsContact O-CD1 3.27Å; G236-L253 WeakPolarHBondContact O-CD1 3.4Å; V237-L253 HydrophobicContact CG1-CD1 3.7Å; G249-L253 WeakPolarHBondContact O-CB 3.2Å; G249-L253 WeakPolarHBondContact O-CG 3.33Å; G249-L253 PolarHBondContact O-N 2.98Å; L250-L253 PolarHBondContact O-N 3.21Å
254N87.5Confident74.3Confident68 Ų6874.2 Ų74.236%0.36438%0.383SS..Hα-helixtrans-89.9-8.5176-173.862000113.1L250 A251 Q256 I269 P330L250-N254 VanDerWaalsContact O-CB 3.26Å; L250-N254 WeakPolarHBondContact O-CB 3.48Å; L250-N254 PolarHBondContact O-N 3.18Å; A251-N254 PolarHBondContact O-N 3.23Å; N254-Q256 PolarHBondContact O-N 3.25Å; N254-I269 HydrophobicContact CB-CD1 3.78Å; N254-I269 HydrophobicContact CB-CG1 4.13Å; N254-P330 HydrophobicContact CB-CB 4.21Å; N254-P330 HydrophobicContact CB-CG 3.53Å
255S64.9Low73.1Confident25 Ų2571.6 Ų71.618%0.17537%0.374CS..  trans-60.7110.6-173.972.40000109.5A251 N252 T257A251-S255 PolarHBondContact O-N 3.44Å; A251-S255 VanDerWaalsContact O-N 3.09Å; N252-S255 PolarHBondContact O-OG 3.14Å; S255-T257 PolarHBondContact O-N 3.03Å; S255-T257 PolarHBondContact OG-OG1 3.17Å
256Q57.7Low72.3Confident181 Ų18174.8 Ų74.885%0.84640%0.397SS*.THydrogen-bonded Turntrans-66.919.2172-62.1-177.73.700111.9N254 C258N254-Q256 PolarHBondContact O-N 3.25Å; Q256-C258 PolarHBondContact O-N 2.83Å
257T49.5Very low72.1Confident93 Ų9376.3 Ų76.357%0.57140%0.403SS*.THydrogen-bonded Turntrans-67.9-3.6-174.3520000113.1S255 K259S255-T257 PolarHBondContact O-N 3.03Å; S255-T257 PolarHBondContact OG-OG1 3.17Å; T257-K259 PolarHBondContact O-N 3.13Å
258C54.1Low72.1Confident21 Ų2176.4 Ų76.414%0.14240%0.403CS..  trans-69.778.1164.8-36.90000108.9C224 Q256 E260 S261C224-C258 WeakPolarHBondContact CA-SG 3.1Å; C224-C258 HydrophobicContact CB-CB 4.02Å; C224-C258 WeakPolarHBondContact CB-SG 3.29Å; C224-C258 WeakPolarHBondContact SG-CB 3.49Å; C224-C258 CovalentContact SG-SG 2.03Å; C224-C258 PolarHBondContact SG-SG 3.04Å; Q256-C258 PolarHBondContact O-N 2.83Å; C258-E260 PolarHBondContact O-N 2.79Å; C258-S261 PolarHBondContact O-N 3.42Å; C258-S261 VanDerWaalsContact O-N 3.17Å; C258-S261 PolarHBondContact O-OG 2.88Å
259K47.9Very low72.1Confident202 Ų20272.6 Ų72.688%0.87839%0.387SS*.THydrogen-bonded Turntrans-53.6-15.2175.4-68.9-177.1178.3-179.50113.5T257 S261T257-K259 PolarHBondContact O-N 3.13Å; K259-S261 VanDerWaalsContact C-N 3.33Å
260E50.7Low72.2Confident189 Ų18972.6 Ų72.688%0.88339%0.387SS*.THydrogen-bonded Turntrans-83.50-178.3-65.3-175.816900114.3C258C258-E260 PolarHBondContact O-N 2.79Å
261S50Low72.3Confident39 Ų3972.6 Ų72.627%0.27339%0.387SS..  trans-127.286.2-178.362.50000114C258 K259 N263 T264C258-S261 PolarHBondContact O-N 3.42Å; C258-S261 VanDerWaalsContact O-N 3.17Å; C258-S261 PolarHBondContact O-OG 2.88Å; K259-S261 VanDerWaalsContact C-N 3.33Å; S261-N263 PolarHBondContact O-N 3.31Å; S261-N263 VanDerWaalsContact O-N 3.15Å; S261-T264 VanDerWaalsContact CB-OG1 3.32Å; S261-T264 WeakPolarHBondContact CB-OG1 3.35Å; S261-T264 WeakPolarHBondContact OG-CG2 3.31Å; S261-T264 PolarHBondContact OG-OG1 3.41Å
262E51.7Low72.6Confident205 Ų20571.3 Ų71.396%0.95838%0.375SS*.THydrogen-bonded Turntrans-65.6-5.1163.8-71.2-175.515800112.8
263N49.9Very low72.6Confident162 Ų16269.1 Ų69.187%0.86636%0.364SS*.THydrogen-bonded Turntrans-134.219.5-168.7-135.817.3000115S261S261-N263 PolarHBondContact O-N 3.31Å; S261-N263 VanDerWaalsContact O-N 3.15Å
264T58.8Low72.6Confident59 Ų5968.9 Ų68.936%0.36236%0.362SS..PPolyproline II helixtrans-86132.1177.845.90000111.9A227 S261A227-T264 HydrophobicContact CB-CG2 3.86Å; A227-T264 WeakPolarHBondContact O-CG2 3.39Å; S261-T264 VanDerWaalsContact CB-OG1 3.32Å; S261-T264 WeakPolarHBondContact CB-OG1 3.35Å; S261-T264 WeakPolarHBondContact OG-CG2 3.31Å; S261-T264 PolarHBondContact OG-OG1 3.41Å
265S65Low72.7Confident63 Ų6366.9 Ų66.944%0.44135%0.351SS..PPolyproline II helixtrans-62.3135173.562.80000110.4K267S265-K267 PolarHBondContact O-N 3.36Å; S265-K267 PolarHBondContact OG-NZ 3.39Å; S265-K267 VanDerWaalsContact OG-NZ 3.14Å
266S77.4Confident73.7Confident90 Ų9065.7 Ų65.763%0.62934%0.344SS*.PPolyproline II helixtrans-54.3134.4169.2550000111
267K90.1Very high75Confident32 Ų3258.4 Ų58.414%0.13931%0.31CS..PPolyproline II helixtrans-98.1143.3176-52.8-55.8-173.4179.20109.9V226 C229 V232 F233 V235 S265V226-K267 HydrophobicContact CG1-CG 4.3Å; V226-K267 WeakPolarHBondContact O-CE 3.34Å; C229-K267 PolarHBondContact O-NZ 3.03Å; V232-K267 VanDerWaalsContact O-CD 3.23Å; V232-K267 WeakPolarHBondContact O-CD 3.22Å; V232-K267 VanDerWaalsContact O-CE 3.3Å; V232-K267 WeakPolarHBondContact O-CE 3.22Å; V232-K267 PolarHBondContact O-NZ 3.12Å; F233-K267 WeakPolarHBondContact O-CA 3.33Å; V235-K267 HydrophobicContact CG1-CB 4.14Å; S265-K267 PolarHBondContact O-N 3.36Å; S265-K267 PolarHBondContact OG-NZ 3.39Å; S265-K267 VanDerWaalsContact OG-NZ 3.14Å
268L93.5Very high76.7Confident1 Ų156.1 Ų56.11%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-64.2133.8169.4-178.5140.8000109.7W12 L13 F233 G234 V235 L270 Q333 W334W12-L268 VanDerWaalsContact O-CD1 3.29Å; W12-L268 WeakPolarHBondContact O-CD1 3.38Å; L13-L268 HydrophobicContact CD2-CB 3.78Å; F233-L268 PolarHBondContact O-N 2.99Å; G234-L268 CarbonylContact C-O 3.56Å; G234-L268 WeakPolarHBondContact CA-O 3.35Å; V235-L268 PolarHBondContact N-O 3.26Å; L268-L270 HydrophobicContact CD2-CB 3.83Å; L268-L270 HydrophobicContact CD2-CD2 3.84Å; L268-L270 HydrophobicContact CD2-CG 4.41Å; L268-Q333 HydrophobicContact CD1-CB 4Å; L268-Q333 HydrophobicContact CG-CB 4.16Å; L268-W334 HydrophobicContact CD1-CD2 4.05Å; L268-W334 HydrophobicContact CD1-CG 3.95Å; L268-W334 HydrophobicContact CD1-CZ2 4.38Å; L268-W334 HydrophobicContact CD2-CB 3.95Å; L268-W334 HydrophobicContact CD2-CD2 4.13Å; L268-W334 HydrophobicContact CD2-CG 3.8Å
269I94.4Very high78.1Confident9 Ų957 Ų575%0.04629%0.294CS..EExtended strand (participates in β ladder)trans-95.7128.1174.5-59-58.8000108.9V235 L250 N254 P330 A332 Q333V235-I269 HydrophobicContact CG1-CD1 3.89Å; L250-I269 HydrophobicContact CB-CG2 4.12Å; L250-I269 HydrophobicContact CD1-CG2 4.15Å; L250-I269 HydrophobicContact CD2-CG2 3.67Å; L250-I269 HydrophobicContact CG-CG2 4.18Å; N254-I269 HydrophobicContact CB-CD1 3.78Å; N254-I269 HydrophobicContact CB-CG1 4.13Å; I269-P330 HydrophobicContact CG2-CG 4.48Å; I269-A332 HydrophobicContact CG2-CB 4.32Å; I269-A332 CarbonylContact O-C 3.24Å; I269-A332 VanDerWaalsContact O-CA 3.27Å; I269-A332 WeakPolarHBondContact O-CA 3.41Å; I269-A332 WeakPolarHBondContact O-CB 3.16Å; I269-Q333 PolarHBondContact O-N 2.8Å
270L97.7Very high79.8Confident0 Ų050 Ų500%027%0.266CS..EExtended strand (participates in β ladder)trans-135158.8-179.867.1152.6000112.3L19 W202 V235 G236 V237 L268 Y272 W334L19-L270 HydrophobicContact CD1-CD1 4.22Å; W202-L270 HydrophobicContact CB-CD1 4.25Å; W202-L270 HydrophobicContact CB-CD2 3.98Å; W202-L270 HydrophobicContact CD2-CD1 3.62Å; W202-L270 HydrophobicContact CE3-CD1 4.05Å; W202-L270 HydrophobicContact CG-CD1 3.69Å; W202-L270 HydrophobicContact CG-CD2 4.31Å; W202-L270 HydrophobicContact CZ2-CD1 4.47Å; V235-L270 VanDerWaalsContact C-CD2 3.45Å; V235-L270 WeakPolarHBondContact O-CD2 3.49Å; V235-L270 PolarHBondContact O-N 3.3Å; G236-L270 WeakPolarHBondContact CA-O 3.22Å; V237-L270 PolarHBondContact N-O 3.03Å; L268-L270 HydrophobicContact CD2-CB 3.83Å; L268-L270 HydrophobicContact CD2-CD2 3.84Å; L268-L270 HydrophobicContact CD2-CG 4.41Å; L270-Y272 HydrophobicContact CD1-CD1 4.31Å; L270-Y272 HydrophobicContact CD1-CE1 3.94Å; L270-W334 WeakPolarHBondContact CA-O 3.5Å; L270-W334 HydrophobicContact CB-CB 3.94Å; L270-W334 WeakPolarHBondContact CB-O 3.5Å
271F98.1Very high81Confident0 Ų044.3 Ų44.30%025%0.245CC..EExtended strand (participates in β ladder)trans-154157162.973.9-82.8000111.9V237 I246 L250 T306 W309 A332 W334 V335 G336V237-F271 HydrophobicContact CG2-CB 3.98Å; V237-F271 WeakPolarHBondContact O-CA 3.37Å; V237-F271 VanDerWaalsContact O-CB 3.27Å; V237-F271 WeakPolarHBondContact O-CB 3.33Å; I246-F271 HydrophobicContact CD1-CD2 4.08Å; I246-F271 HydrophobicContact CD1-CE2 3.96Å; I246-F271 HydrophobicContact CG2-CD1 4.11Å; I246-F271 HydrophobicContact CG2-CD2 3.97Å; I246-F271 HydrophobicContact CG2-CE1 4.3Å; I246-F271 HydrophobicContact CG2-CE2 4.16Å; I246-F271 HydrophobicContact CG2-CG 3.94Å; I246-F271 HydrophobicContact CG2-CZ 4.32Å; L250-F271 HydrophobicContact CD1-CD1 4Å; L250-F271 HydrophobicContact CD1-CE1 4.49Å; L250-F271 HydrophobicContact CD2-CB 4.22Å; F271-T306 HydrophobicContact CE2-CG2 3.89Å; F271-T306 HydrophobicContact CZ-CG2 3.78Å; F271-T306 WeakPolarHBondContact CZ-O 3.34Å; F271-W309 HydrophobicContact CE1-CB 3.82Å; F271-W309 HydrophobicContact CZ-CB 4.1Å; F271-A332 HydrophobicContact CD1-CB 3.46Å; F271-A332 VanDerWaalsContact CD1-CB 3.46Å; F271-A332 HydrophobicContact CE1-CB 3.76Å; F271-W334 PolarHBondContact N-O 2.97Å; F271-V335 HydrophobicContact CD1-CG1 4.27Å; F271-V335 HydrophobicContact CD1-CG2 4.04Å; F271-V335 HydrophobicContact CD2-CG1 4.33Å; F271-V335 HydrophobicContact CE1-CB 4.31Å; F271-V335 HydrophobicContact CE1-CG1 3.68Å; F271-V335 HydrophobicContact CE1-CG2 3.62Å; F271-V335 HydrophobicContact CE2-CG1 3.75Å; F271-V335 HydrophobicContact CZ-CB 4.46Å; F271-V335 HydrophobicContact CZ-CG1 3.39Å; F271-V335 HydrophobicContact CZ-CG2 4.2Å; F271-V335 VanDerWaalsContact O-CA 3.3Å; F271-V335 WeakPolarHBondContact O-CA 3.17Å; F271-G336 PolarHBondContact O-N 2.85Å
272Y98.1Very high82.2Confident7 Ų747.1 Ų47.13%0.02726%0.257CS..EExtended strand (participates in β ladder)trans-15390.2173.547.9-78.2000109.6L19 E178 S204 V237 N238 C239 L270 G336 C338L19-Y272 HydrophobicContact CD1-CD1 3.61Å; L19-Y272 HydrophobicContact CD1-CE1 4.24Å; L19-Y272 HydrophobicContact CD1-CG 4.17Å; E178-Y272 VanDerWaalsContact CG-OH 3.22Å; E178-Y272 WeakPolarHBondContact CG-OH 3.31Å; E178-Y272 WeakPolarHBondContact OE2-CE2 3.45Å; E178-Y272 VanDerWaalsContact OE2-CZ 3.29Å; E178-Y272 PolarHBondContact OE2-OH 2.94Å; S204-Y272 WeakPolarHBondContact CB-OH 3.45Å; V237-Y272 PolarHBondContact O-N 3.49Å; N238-Y272 WeakPolarHBondContact CA-O 3.43Å; N238-Y272 HydrophobicContact CB-CD1 3.94Å; N238-Y272 HydrophobicContact CB-CD2 3.44Å; N238-Y272 VanDerWaalsContact CB-CD2 3.44Å; N238-Y272 HydrophobicContact CB-CE1 3.75Å; N238-Y272 HydrophobicContact CB-CE2 3.24Å; N238-Y272 HydrophobicContact CB-CG 3.78Å; N238-Y272 VanDerWaalsContact CB-CZ 3.41Å; N238-Y272 VanDerWaalsContact CB-O 3.32Å; N238-Y272 WeakPolarHBondContact CB-O 3.41Å; N238-Y272 WeakPolarHBondContact ND2-CE2 3.36Å; C239-Y272 PolarHBondContact N-O 3.5Å; C239-Y272 VanDerWaalsContact N-O 3.1Å; L270-Y272 HydrophobicContact CD1-CD1 4.31Å; L270-Y272 HydrophobicContact CD1-CE1 3.94Å; Y272-G336 VanDerWaalsContact CA-O 3.32Å; Y272-G336 WeakPolarHBondContact CA-O 3.28Å; Y272-G336 VanDerWaalsContact CB-C 3.43Å; Y272-C338 HydrophobicContact CD2-CB 4.43Å
273A95Very high82.7Confident0 Ų042.2 Ų42.20%024%0.237CC..EExtended strand (participates in β ladder)trans-77.3154.7-175.700000111.4I241 I246 W302 G337 C338 V341I241-A273 HydrophobicContact CG2-CB 4.01Å; I246-A273 HydrophobicContact CD1-CB 4.02Å; A273-W302 PolarHBondContact O-NE1 2.92Å; A273-G337 CarbonylContact O-C 3.4Å; A273-G337 WeakPolarHBondContact O-CA 3.42Å; A273-C338 PolarHBondContact O-N 3.19Å; A273-V341 WeakPolarHBondContact O-CG2 3.19Å
274N93.6Very high83.1Confident0 Ų037.6 Ų37.60%023%0.228CC..  trans-69.2-175.9163.970.39.2000110.5C239 H243 G276 Q277 W302 C338 C339C239-N274 PolarHBondContact O-N 3.28Å; C239-N274 PolarHBondContact O-ND2 2.97Å; C239-N274 PolarHBondContact O-OD1 3.33Å; H243-N274 PolarHBondContact NE2-O 2.58Å; N274-G276 PolarHBondContact O-N 2.64Å; N274-G276 WeakPolarHBondContact OD1-CA 3.37Å; N274-G276 PolarHBondContact OD1-N 3.28Å; N274-Q277 PolarHBondContact ND2-O 3.07Å; N274-Q277 PolarHBondContact OD1-N 2.82Å; N274-Q277 PolarHBondContact OD1-O 3.18Å; N274-W302 PolarHBondContact O-NE1 3.42Å; N274-C338 HydrophobicContact CB-CB 4.35Å; N274-C339 WeakPolarHBondContact CA-O 3.33Å; N274-C339 HydrophobicContact CB-CB 4.05Å; N274-C339 WeakPolarHBondContact CB-O 3.08Å
275D89Confident83.1Confident26 Ų2642 Ų4214%0.13925%0.249CC..SBendtrans-63.6-0.5177.666.4-16000115.9Q277 Y297 C339 N340D275-Q277 WeakPolarHBondContact OD1-CB 3.42Å; D275-Q277 VanDerWaalsContact OD1-CG 3.22Å; D275-Q277 WeakPolarHBondContact OD1-CG 3.4Å; D275-Q277 PolarHBondContact OD1-N 3.02Å; D275-Y297 VanDerWaalsContact O-CB 3.32Å; D275-Y297 WeakPolarHBondContact O-CB 3.22Å; D275-C339 PolarHBondContact N-O 3.12Å; D275-C339 VanDerWaalsContact N-O 3.13Å; D275-N340 HydrophobicContact CB-CB 3.77Å; D275-N340 VanDerWaalsContact CG-CB 3.44Å; D275-N340 PolarHBondContact OD1-ND2 3.34Å; D275-N340 WeakPolarHBondContact OD2-CB 3.22Å; D275-N340 PolarHBondContact OD2-ND2 2.86Å; D275-N340 VanDerWaalsContact OD2-ND2 3.08Å
276G85.1Confident82.5Confident1 Ų144 Ų441%0.0125%0.25CS..SBendtrans108.30.9-177.400000113.5H243 N274H243-G276 WeakPolarHBondContact NE2-CA 3.4Å; H243-G276 PolarHBondContact NE2-N 3Å; N274-G276 PolarHBondContact O-N 2.64Å; N274-G276 WeakPolarHBondContact OD1-CA 3.37Å; N274-G276 PolarHBondContact OD1-N 3.28Å
277Q85.7Confident81.7Confident28 Ų2849.5 Ų49.513%0.13126%0.262CS..  trans-60.9139.5169.5-76.7177.3300111.7N274 D275 F291 V292 N293 N340N274-Q277 PolarHBondContact ND2-O 3.07Å; N274-Q277 PolarHBondContact OD1-N 2.82Å; N274-Q277 PolarHBondContact OD1-O 3.18Å; D275-Q277 WeakPolarHBondContact OD1-CB 3.42Å; D275-Q277 VanDerWaalsContact OD1-CG 3.22Å; D275-Q277 WeakPolarHBondContact OD1-CG 3.4Å; D275-Q277 PolarHBondContact OD1-N 3.02Å; Q277-F291 HydrophobicContact CB-CB 4.08Å; Q277-F291 HydrophobicContact CB-CD1 3.77Å; Q277-F291 HydrophobicContact CB-CG 4.25Å; Q277-F291 HydrophobicContact CG-CB 4.46Å; Q277-V292 WeakPolarHBondContact CA-O 3.35Å; Q277-N293 WeakPolarHBondContact CG-OD1 3.33Å; Q277-N293 PolarHBondContact NE2-OD1 3.34Å; Q277-N340 VanDerWaalsContact CD-ND2 3.28Å; Q277-N340 PolarHBondContact NE2-ND2 3.18Å; Q277-N340 VanDerWaalsContact NE2-ND2 3.12Å; Q277-N340 PolarHBondContact OE1-ND2 3.27Å
278L84.9Confident80.7Confident45 Ų4556.6 Ų56.624%0.23629%0.288CS..EExtended strand (participates in β ladder)trans-109.1139.2176.3-60.5179.3000110.5P242 I280 F291 V292 Y294P242-L278 HydrophobicContact CB-CD2 4.25Å; P242-L278 HydrophobicContact CG-CD2 3.71Å; L278-I280 PolarHBondContact O-N 2.88Å; L278-F291 WeakPolarHBondContact O-CA 3.4Å; L278-V292 HydrophobicContact CB-CG2 4.49Å; L278-V292 PolarHBondContact N-O 2.93Å; L278-V292 PolarHBondContact O-N 3.13Å; L278-Y294 HydrophobicContact CD1-CE2 4.2Å
279W84.5Confident79.9Confident39 Ų3957.3 Ų57.315%0.14830%0.296CS..EExtended strand (participates in β ladder)trans-73.4124.4172.5-179-103000110.4Y143 N240 G289 F291Y143-W279 VanDerWaalsContact CB-CG 3.48Å; Y143-W279 AromaticContact CD2-CD2 3.48Å; Y143-W279 HydrophobicContact CD2-CD2 3.48Å; Y143-W279 VanDerWaalsContact CD2-CD2 3.48Å; Y143-W279 AromaticContact CD2-CE2 3.76Å; Y143-W279 AromaticContact CD2-CE3 3.55Å; Y143-W279 HydrophobicContact CD2-CE3 3.55Å; Y143-W279 AromaticContact CD2-CG 3.96Å; Y143-W279 HydrophobicContact CD2-CG 3.96Å; Y143-W279 HydrophobicContact CD2-CH2 4.1Å; Y143-W279 HydrophobicContact CD2-CZ2 4.06Å; Y143-W279 AromaticContact CD2-CZ3 3.86Å; Y143-W279 HydrophobicContact CD2-CZ3 3.86Å; Y143-W279 HydrophobicContact CE2-CD2 4.31Å; Y143-W279 AromaticContact CE2-CE3 3.92Å; Y143-W279 HydrophobicContact CE2-CE3 3.92Å; Y143-W279 HydrophobicContact CE2-CZ3 4.04Å; Y143-W279 HydrophobicContact CG-CB 4.13Å; Y143-W279 AromaticContact CG-CD2 3.84Å; Y143-W279 HydrophobicContact CG-CD2 3.84Å; Y143-W279 HydrophobicContact CG-CE3 4.26Å; Y143-W279 AromaticContact CG-CG 3.78Å; Y143-W279 HydrophobicContact CG-CG 3.78Å; N240-W279 WeakPolarHBondContact OD1-CB 3.26Å; N240-W279 PolarHBondContact OD1-N 3.47Å; W279-G289 VanDerWaalsContact CH2-O 3.23Å; W279-G289 WeakPolarHBondContact CH2-O 3.28Å; W279-G289 VanDerWaalsContact CZ2-CA 3.5Å; W279-F291 HydrophobicContact CB-CD1 4.35Å; W279-F291 HydrophobicContact CB-CE1 3.92Å; W279-F291 HydrophobicContact CB-CZ 4.26Å; W279-F291 AromaticContact CE3-CD2 3.71Å; W279-F291 HydrophobicContact CE3-CD2 3.71Å; W279-F291 HydrophobicContact CE3-CE1 4.4Å; W279-F291 AromaticContact CE3-CE2 3.57Å; W279-F291 HydrophobicContact CE3-CE2 3.57Å; W279-F291 HydrophobicContact CE3-CG 4.19Å; W279-F291 AromaticContact CE3-CZ 3.94Å; W279-F291 HydrophobicContact CE3-CZ 3.94Å; W279-F291 HydrophobicContact CZ3-CD2 4.04Å; W279-F291 AromaticContact CZ3-CE2 3.99Å; W279-F291 HydrophobicContact CZ3-CE2 3.99Å
280I83Confident79.3Confident56 Ų5659 Ų5929%0.28730%0.303SS..EExtended strand (participates in β ladder)trans-103.5114.2169.4-54.6-58.2000107.5L278 G289 H290 V292L278-I280 PolarHBondContact O-N 2.88Å; I280-G289 CarbonylContact O-C 3.59Å; I280-G289 WeakPolarHBondContact O-CA 3.15Å; I280-H290 PolarHBondContact N-O 3.24Å; I280-H290 PolarHBondContact O-N 3.02Å; I280-V292 HydrophobicContact CD1-CG2 3.95Å; I280-V292 HydrophobicContact CG1-CB 4.25Å; I280-V292 HydrophobicContact CG1-CG1 3.63Å; I280-V292 HydrophobicContact CG1-CG2 3.61Å
281P75.9Confident78.5Confident68 Ų6861.4 Ų61.444%0.44231%0.314SS..  trans-56.8163.7171.9-22.433.1000111.5T144 D283T144-P281 HydrophobicContact CG2-CG 4.5Å; P281-D283 PolarHBondContact O-N 3.13Å; P281-D283 VanDerWaalsContact O-N 3.12Å
282N74.2Confident77.6Confident98 Ų9863.4 Ų63.452%0.52433%0.326SS..  trans-57.2118.8172.5179.1-0.4000110.4G284 K286N282-G284 PolarHBondContact OD1-N 3.48Å; N282-K286 PolarHBondContact OD1-O 2.94Å
283D61.9Low76.4Confident103 Ų10368.8 Ų68.855%0.55136%0.355SS*.  trans-112.716.6179.267-3.7000113.3P281 D285P281-D283 PolarHBondContact O-N 3.13Å; P281-D283 VanDerWaalsContact O-N 3.12Å; D283-D285 VanDerWaalsContact C-N 3.34Å; D283-D285 PolarHBondContact O-N 3.08Å; D283-D285 PolarHBondContact OD1-N 3.25Å
284G58.7Low74.9Confident65 Ų6574.5 Ų74.567%0.6738%0.378SS*.SBendtrans92.2-27.9178.700000114.4N282N282-G284 PolarHBondContact OD1-N 3.48Å
285D58.5Low73.4Confident152 Ų15280.2 Ų80.281%0.81342%0.418SS*.SBendtrans-80.8-20.9179.6-79.8-20.1000112.9D283D283-D285 VanDerWaalsContact C-N 3.34Å; D283-D285 PolarHBondContact O-N 3.08Å; D283-D285 PolarHBondContact OD1-N 3.25Å
286K53.3Low72.2Confident105 Ų10586.1 Ų86.146%0.45745%0.445SS..SBendtrans-129.8136.9175-68.1-171.3-170.2167.90112.1N282 R288 H290N282-K286 PolarHBondContact OD1-O 2.94Å; K286-R288 PolarHBondContact O-N 3.05Å; K286-H290 PolarHBondContact NZ-CD2 3.12Å; K286-H290 PolarHBondContact NZ-NE2 3.27Å
287K60.4Low71.4Confident204 Ų20489.3 Ų89.389%0.88746%0.457SS*.SBendtrans-62.6-15.5-178.4-66.9-173.7179.8-178.40114.7
288R69.4Low71.2Confident181 Ų18192 Ų9268%0.68347%0.472SS*.SBendtrans-142.3146.4179.2-68.9-174.7178.7173.4-2.1109.5K286K286-R288 PolarHBondContact O-N 3.05Å
289G77.5Confident71.2Confident16 Ų1694 Ų9417%0.16548%0.48CS..  trans-58155.4168.600000110.8W279 I280W279-G289 VanDerWaalsContact CH2-O 3.23Å; W279-G289 WeakPolarHBondContact CH2-O 3.28Å; W279-G289 VanDerWaalsContact CZ2-CA 3.5Å; I280-G289 CarbonylContact O-C 3.59Å; I280-G289 WeakPolarHBondContact O-CA 3.15Å
290H80.3Confident71.5Confident44 Ų4496.5 Ų96.520%0.20450%0.497CS..EExtended strand (participates in β ladder)trans-154.1156.1-173.462.8-69000111.5I280 K286I280-H290 PolarHBondContact N-O 3.24Å; I280-H290 PolarHBondContact O-N 3.02Å; K286-H290 PolarHBondContact NZ-CD2 3.12Å; K286-H290 PolarHBondContact NZ-NE2 3.27Å
291F81.4Confident71.8Confident52 Ų5295.1 Ų95.123%0.22849%0.492CS..EExtended strand (participates in β ladder)trans-79.8137.1170.1-78.2-77.5000111Y143 Q277 L278 W279Y143-F291 HydrophobicContact CD1-CZ 4.3Å; Y143-F291 HydrophobicContact CD2-CE2 4.48Å; Y143-F291 HydrophobicContact CD2-CZ 4.36Å; Y143-F291 HydrophobicContact CE1-CE2 4.44Å; Y143-F291 AromaticContact CE1-CZ 3.72Å; Y143-F291 HydrophobicContact CE1-CZ 3.72Å; Y143-F291 AromaticContact CE2-CE2 3.74Å; Y143-F291 HydrophobicContact CE2-CE2 3.74Å; Y143-F291 AromaticContact CE2-CZ 3.81Å; Y143-F291 HydrophobicContact CE2-CZ 3.81Å; Y143-F291 AromaticContact CZ-CE2 3.72Å; Y143-F291 AromaticContact CZ-CZ 3.46Å; Y143-F291 VanDerWaalsContact CZ-CZ 3.46Å; Q277-F291 HydrophobicContact CB-CB 4.08Å; Q277-F291 HydrophobicContact CB-CD1 3.77Å; Q277-F291 HydrophobicContact CB-CG 4.25Å; Q277-F291 HydrophobicContact CG-CB 4.46Å; L278-F291 WeakPolarHBondContact O-CA 3.4Å; W279-F291 HydrophobicContact CB-CD1 4.35Å; W279-F291 HydrophobicContact CB-CE1 3.92Å; W279-F291 HydrophobicContact CB-CZ 4.26Å; W279-F291 AromaticContact CE3-CD2 3.71Å; W279-F291 HydrophobicContact CE3-CD2 3.71Å; W279-F291 HydrophobicContact CE3-CE1 4.4Å; W279-F291 AromaticContact CE3-CE2 3.57Å; W279-F291 HydrophobicContact CE3-CE2 3.57Å; W279-F291 HydrophobicContact CE3-CG 4.19Å; W279-F291 AromaticContact CE3-CZ 3.94Å; W279-F291 HydrophobicContact CE3-CZ 3.94Å; W279-F291 HydrophobicContact CZ3-CD2 4.04Å; W279-F291 AromaticContact CZ3-CE2 3.99Å; W279-F291 HydrophobicContact CZ3-CE2 3.99Å
292V79.4Confident72.6Confident42 Ų4292 Ų9226%0.25547%0.471SS..EExtended strand (participates in β ladder)trans-106.4129.9171.2-65.90000110.5Q277 L278 I280 Y294Q277-V292 WeakPolarHBondContact CA-O 3.35Å; L278-V292 HydrophobicContact CB-CG2 4.49Å; L278-V292 PolarHBondContact N-O 2.93Å; L278-V292 PolarHBondContact O-N 3.13Å; I280-V292 HydrophobicContact CD1-CG2 3.95Å; I280-V292 HydrophobicContact CG1-CB 4.25Å; I280-V292 HydrophobicContact CG1-CG1 3.63Å; I280-V292 HydrophobicContact CG1-CG2 3.61Å; V292-Y294 PolarHBondContact O-N 3.44Å
293N72.8Confident73.6Confident119 Ų11988 Ų8864%0.63645%0.449SS*.  trans-70.7125.7169.1-81-42.7000109.5Q277Q277-N293 WeakPolarHBondContact CG-OD1 3.33Å; Q277-N293 PolarHBondContact NE2-OD1 3.34Å
294Y64.5Low75.1Confident120 Ų12087.5 Ų87.547%0.47144%0.444SS..  trans-89.3120.6161.8-103.9-100.2000107.8L278 V292 Q296 Y297L278-Y294 HydrophobicContact CD1-CE2 4.2Å; V292-Y294 PolarHBondContact O-N 3.44Å; Y294-Q296 PolarHBondContact O-N 2.78Å; Y294-Y297 HydrophobicContact CG-CD2 4.36Å; Y294-Y297 HydrophobicContact CG-CE2 4.27Å; Y294-Y297 PolarHBondContact O-N 3.22Å
295S61.6Low76.7Confident121 Ų12186 Ų8685%0.84642%0.421SS*.THydrogen-bonded Turntrans-57-15.6-176.555.70000114.7
296Q63.5Low78.4Confident149 Ų14978.8 Ų78.870%0.69638%0.382SS*.THydrogen-bonded Turntrans-85.1-15.4179.8-50.7-174.328.200112.8Y294 S301Y294-Q296 PolarHBondContact O-N 2.78Å; Q296-S301 PolarHBondContact O-OG 3.14Å
297Y68.7Low80.3Confident68 Ų6875.1 Ų75.127%0.26737%0.367SS..  trans-91.5130.9179.5-68.4-74.1000111.8H243 D275 Y294 S301H243-Y297 HydrophobicContact CB-CE1 4.11Å; H243-Y297 AromaticContact CE1-CD1 3.85Å; H243-Y297 AromaticContact CE1-CE1 4Å; H243-Y297 AromaticContact CG-CE1 3.89Å; H243-Y297 AromaticContact ND1-CD1 3.58Å; H243-Y297 AromaticContact ND1-CE1 3.35Å; H243-Y297 WeakPolarHBondContact ND1-CE1 3.39Å; D275-Y297 VanDerWaalsContact O-CB 3.32Å; D275-Y297 WeakPolarHBondContact O-CB 3.22Å; Y294-Y297 HydrophobicContact CG-CD2 4.36Å; Y294-Y297 HydrophobicContact CG-CE2 4.27Å; Y294-Y297 PolarHBondContact O-N 3.22Å; Y297-S301 WeakPolarHBondContact CA-OG 3.48Å
298N81Confident81.9Confident85 Ų8570.7 Ų70.746%0.45535%0.349SS..  trans-148.4178.9174.86336.9000108.6D300 S301 W302N298-D300 PolarHBondContact O-N 2.89Å; N298-D300 WeakPolarHBondContact OD1-CA 3.22Å; N298-D300 VanDerWaalsContact OD1-CB 3.28Å; N298-D300 WeakPolarHBondContact OD1-CB 3.48Å; N298-D300 PolarHBondContact OD1-N 3.21Å; N298-S301 PolarHBondContact N-OG 2.63Å; N298-S301 PolarHBondContact O-N 3.16Å; N298-S301 PolarHBondContact O-OG 2.75Å; N298-S301 PolarHBondContact OD1-N 2.51Å; N298-S301 PolarHBondContact OD1-OG 3.24Å; N298-W302 WeakPolarHBondContact O-CB 3.45Å; N298-W302 PolarHBondContact O-N 3.33Å
299H85.9Confident83.1Confident87 Ų8764.4 Ų64.440%0.40333%0.326SS..Hα-helixtrans-59.6-29.3-179.9-63.4175.1000113.3F303 C345H299-F303 WeakPolarHBondContact O-CB 3.36Å; H299-F303 PolarHBondContact O-N 3.48Å; H299-F303 VanDerWaalsContact O-N 3.15Å; H299-C345 VanDerWaalsContact CD2-SG 3.54Å
300D89.6Confident83.9Confident92 Ų9263.8 Ų63.849%0.49232%0.319SS..Hα-helixtrans-72.4-48.9176.7-70.5-40.1000111.7N298 F303 Q304 R348N298-D300 PolarHBondContact O-N 2.89Å; N298-D300 WeakPolarHBondContact OD1-CA 3.22Å; N298-D300 VanDerWaalsContact OD1-CB 3.28Å; N298-D300 WeakPolarHBondContact OD1-CB 3.48Å; N298-D300 PolarHBondContact OD1-N 3.21Å; D300-F303 PolarHBondContact O-N 3.15Å; D300-Q304 VanDerWaalsContact O-CG 3.31Å; D300-Q304 WeakPolarHBondContact O-CG 3.13Å; D300-Q304 PolarHBondContact O-N 3.11Å; D300-R348 IonicContact OD1-CZ 2.76Å; D300-R348 IonicContact OD1-NH1 3.15Å; D300-R348 PolarHBondContact OD1-NH1 3.04Å; D300-R348 IonicContact OD1-NH2 2.79Å
301S89.7Confident84.6Confident27 Ų2765.3 Ų65.319%0.18933%0.325CS..Hα-helixtrans-67.3-38.1178.755.20000112Q296 Y297 N298 F303 Q304 N305Q296-S301 PolarHBondContact O-OG 3.14Å; Y297-S301 WeakPolarHBondContact CA-OG 3.48Å; N298-S301 PolarHBondContact N-OG 2.63Å; N298-S301 PolarHBondContact O-N 3.16Å; N298-S301 PolarHBondContact O-OG 2.75Å; N298-S301 PolarHBondContact OD1-N 2.51Å; N298-S301 PolarHBondContact OD1-OG 3.24Å; S301-F303 VanDerWaalsContact C-N 3.31Å; S301-F303 PolarHBondContact O-N 2.98Å; S301-Q304 PolarHBondContact O-N 2.93Å; S301-N305 WeakPolarHBondContact O-CB 3.32Å; S301-N305 PolarHBondContact O-N 2.76Å; S301-N305 PolarHBondContact O-ND2 2.97Å
302W93Very high85.1Confident1 Ų168.8 Ų68.80%0.00434%0.337CS..Hα-helixtrans-54.3-48.9169.7175.686.3000111.3H243 A273 N274 N298 N305 T306 V341 C345 I346 L349H243-W302 AromaticContact CE1-CD1 3.64Å; H243-W302 AromaticContact NE2-CD1 3.8Å; A273-W302 PolarHBondContact O-NE1 2.92Å; N274-W302 PolarHBondContact O-NE1 3.42Å; N298-W302 WeakPolarHBondContact O-CB 3.45Å; N298-W302 PolarHBondContact O-N 3.33Å; W302-N305 PolarHBondContact O-N 2.67Å; W302-T306 HydrophobicContact CH2-CG2 4.36Å; W302-T306 HydrophobicContact CZ2-CG2 4.3Å; W302-T306 VanDerWaalsContact O-CB 3.24Å; W302-T306 WeakPolarHBondContact O-CB 3.38Å; W302-T306 PolarHBondContact O-N 2.84Å; W302-T306 PolarHBondContact O-OG1 3.44Å; W302-V341 HydrophobicContact CD2-CG1 4.36Å; W302-V341 HydrophobicContact CD2-CG2 4.31Å; W302-V341 HydrophobicContact CH2-CG1 3.67Å; W302-V341 HydrophobicContact CZ2-CB 4.36Å; W302-V341 HydrophobicContact CZ2-CG1 3.46Å; W302-V341 VanDerWaalsContact CZ2-CG1 3.46Å; W302-V341 HydrophobicContact CZ2-CG2 3.98Å; W302-V341 HydrophobicContact CZ3-CG1 4.2Å; W302-C345 HydrophobicContact CE3-CB 3.98Å; W302-C345 HydrophobicContact CH2-CB 4.35Å; W302-C345 HydrophobicContact CZ3-CB 3.72Å; W302-I346 HydrophobicContact CH2-CD1 4.27Å; W302-L349 HydrophobicContact CH2-CB 4.3Å; W302-L349 HydrophobicContact CH2-CD2 3.99Å; W302-L349 HydrophobicContact CZ3-CB 4.44Å
303F94.4Very high85.7Confident14 Ų1468.9 Ų68.96%0.06133%0.332CS..Hα-helixtrans-63.1-48.4179.6174.3-97.2000111.7H299 D300 S301 N305 T306 I307 R348 W352H299-F303 WeakPolarHBondContact O-CB 3.36Å; H299-F303 PolarHBondContact O-N 3.48Å; H299-F303 VanDerWaalsContact O-N 3.15Å; D300-F303 PolarHBondContact O-N 3.15Å; S301-F303 VanDerWaalsContact C-N 3.31Å; S301-F303 PolarHBondContact O-N 2.98Å; F303-N305 VanDerWaalsContact C-N 3.31Å; F303-N305 PolarHBondContact O-N 2.88Å; F303-T306 PolarHBondContact O-N 2.79Å; F303-I307 HydrophobicContact CD1-CD1 4.43Å; F303-I307 HydrophobicContact CD2-CG2 4.08Å; F303-I307 HydrophobicContact CE1-CD1 3.87Å; F303-I307 HydrophobicContact CE1-CG2 4.15Å; F303-I307 HydrophobicContact CE2-CG2 3.63Å; F303-I307 HydrophobicContact CZ-CD1 4.26Å; F303-I307 HydrophobicContact CZ-CG2 3.69Å; F303-I307 WeakPolarHBondContact O-CG1 3.1Å; F303-I307 WeakPolarHBondContact O-CG2 3.37Å; F303-I307 PolarHBondContact O-N 2.97Å; F303-R348 HydrophobicContact CD2-CB 4.2Å; F303-R348 HydrophobicContact CD2-CG 3.73Å; F303-R348 HydrophobicContact CE1-CG 4.45Å; F303-R348 HydrophobicContact CE2-CB 4.26Å; F303-R348 HydrophobicContact CE2-CG 3.59Å; F303-R348 HydrophobicContact CG-CG 4.23Å; F303-R348 HydrophobicContact CZ-CG 3.97Å; F303-W352 HydrophobicContact CE2-CB 4.02Å; F303-W352 HydrophobicContact CZ-CB 3.89Å; F303-W352 HydrophobicContact CZ-CG 4.06Å
304Q93.7Very high85.9Confident93 Ų9368.3 Ų68.344%0.43533%0.326SS..Hα-helixtrans-62.2-36.7-179.4-68.1-58.5-32.500112.7D300 S301 Q308D300-Q304 VanDerWaalsContact O-CG 3.31Å; D300-Q304 WeakPolarHBondContact O-CG 3.13Å; D300-Q304 PolarHBondContact O-N 3.11Å; S301-Q304 PolarHBondContact O-N 2.93Å; Q304-Q308 WeakPolarHBondContact O-CG 3.22Å; Q304-Q308 PolarHBondContact O-NE2 2.77Å
305N91.9Very high85.6Confident35 Ų3566.2 Ų66.219%0.18733%0.326CS..Hα-helixtrans-73.4-38.1175-73.4-44.3000112.3H243 S301 W302 F303 Q308H243-N305 HydrophobicContact CB-CB 3.72Å; H243-N305 PolarHBondContact ND1-ND2 3.06Å; S301-N305 WeakPolarHBondContact O-CB 3.32Å; S301-N305 PolarHBondContact O-N 2.76Å; S301-N305 PolarHBondContact O-ND2 2.97Å; W302-N305 PolarHBondContact O-N 2.67Å; F303-N305 VanDerWaalsContact C-N 3.31Å; F303-N305 PolarHBondContact O-N 2.88Å; N305-Q308 PolarHBondContact O-N 2.66Å
306T94.1Very high85.1Confident0 Ų065.6 Ų65.60%032%0.321CS..Hα-helixtrans-63.7-47.6-180-63.10000111.4F271 W302 F303 Q308 W309 A310 V335 L349F271-T306 HydrophobicContact CE2-CG2 3.89Å; F271-T306 HydrophobicContact CZ-CG2 3.78Å; F271-T306 WeakPolarHBondContact CZ-O 3.34Å; W302-T306 HydrophobicContact CH2-CG2 4.36Å; W302-T306 HydrophobicContact CZ2-CG2 4.3Å; W302-T306 VanDerWaalsContact O-CB 3.24Å; W302-T306 WeakPolarHBondContact O-CB 3.38Å; W302-T306 PolarHBondContact O-N 2.84Å; W302-T306 PolarHBondContact O-OG1 3.44Å; F303-T306 PolarHBondContact O-N 2.79Å; T306-Q308 PolarHBondContact O-N 3.01Å; T306-W309 PolarHBondContact O-N 2.86Å; T306-W309 VanDerWaalsContact O-N 3.16Å; T306-A310 PolarHBondContact O-N 3.44Å; T306-V335 HydrophobicContact CG2-CG1 3.53Å; T306-L349 HydrophobicContact CG2-CD1 3.74Å; T306-L349 HydrophobicContact CG2-CD2 4.25Å
307I94.7Very high84Confident28 Ų2866 Ų6614%0.14433%0.328CS..Hα-helixtrans-68-18.4-175.564.9172.4000114F303 W309 L349 W352F303-I307 HydrophobicContact CD1-CD1 4.43Å; F303-I307 HydrophobicContact CD2-CG2 4.08Å; F303-I307 HydrophobicContact CE1-CD1 3.87Å; F303-I307 HydrophobicContact CE1-CG2 4.15Å; F303-I307 HydrophobicContact CE2-CG2 3.63Å; F303-I307 HydrophobicContact CZ-CD1 4.26Å; F303-I307 HydrophobicContact CZ-CG2 3.69Å; F303-I307 WeakPolarHBondContact O-CG1 3.1Å; F303-I307 WeakPolarHBondContact O-CG2 3.37Å; F303-I307 PolarHBondContact O-N 2.97Å; I307-W309 PolarHBondContact O-N 2.83Å; I307-L349 HydrophobicContact CG2-CD1 4.31Å; I307-W352 HydrophobicContact CB-CD2 4.02Å; I307-W352 HydrophobicContact CB-CE3 4.08Å; I307-W352 HydrophobicContact CB-CH2 3.95Å; I307-W352 HydrophobicContact CB-CZ2 3.88Å; I307-W352 HydrophobicContact CB-CZ3 4.05Å; I307-W352 HydrophobicContact CG2-CD2 3.62Å; I307-W352 HydrophobicContact CG2-CE3 3.7Å; I307-W352 HydrophobicContact CG2-CG 4Å; I307-W352 HydrophobicContact CG2-CH2 4.48Å; I307-W352 HydrophobicContact CG2-CZ2 4.42Å; I307-W352 HydrophobicContact CG2-CZ3 4.14Å; I307-W352 WeakPolarHBondContact O-CH2 3.48Å
308Q93.1Very high82.7Confident110 Ų11068.5 Ų68.551%0.51435%0.346SS..THydrogen-bonded Turntrans-64.4-27175.3-72.7171.753.400112.6Q304 N305 T306 L331Q304-Q308 WeakPolarHBondContact O-CG 3.22Å; Q304-Q308 PolarHBondContact O-NE2 2.77Å; N305-Q308 PolarHBondContact O-N 2.66Å; T306-Q308 PolarHBondContact O-N 3.01Å; Q308-L331 WeakPolarHBondContact O-CD2 3.48Å
309W94.7Very high80.6Confident49 Ų4973 Ų7319%0.18637%0.365CS..THydrogen-bonded Turntrans-116.76.5-173.5-54.4114.1000113.2I246 L250 F271 T306 I307 P329 A332I246-W309 HydrophobicContact CB-CG 4.34Å; I246-W309 HydrophobicContact CG2-CB 3.93Å; I246-W309 HydrophobicContact CG2-CG 3.83Å; L250-W309 HydrophobicContact CD1-CB 4.15Å; F271-W309 HydrophobicContact CE1-CB 3.82Å; F271-W309 HydrophobicContact CZ-CB 4.1Å; T306-W309 PolarHBondContact O-N 2.86Å; T306-W309 VanDerWaalsContact O-N 3.16Å; I307-W309 PolarHBondContact O-N 2.83Å; W309-P329 HydrophobicContact CE3-CB 4.14Å; W309-P329 HydrophobicContact CH2-CB 4.4Å; W309-P329 HydrophobicContact CH2-CG 3.88Å; W309-P329 HydrophobicContact CZ3-CB 3.62Å; W309-P329 HydrophobicContact CZ3-CG 3.55Å; W309-A332 PolarHBondContact O-N 3.48Å
310A95Very high78.3Confident3 Ų376 Ų763%0.02538%0.378CS..BIsolated β-bridgetrans-104.6140.2-17800000111.5T306 V335 W352 M353T306-A310 PolarHBondContact O-N 3.44Å; A310-V335 HydrophobicContact CB-CB 4.38Å; A310-V335 HydrophobicContact CB-CG1 4.38Å; A310-V335 HydrophobicContact CB-CG2 3.79Å; A310-W352 HydrophobicContact CB-CZ3 3.97Å; A310-M353 HydrophobicContact CB-CE 4.32Å; A310-M353 HydrophobicContact CB-CG 4.45Å; A310-M353 HydrophobicContact CB-SD 4.32Å
311K94Very high76Confident76 Ų7679.3 Ų79.333%0.3340%0.395SS..  trans-72.5151.2165.9-67-167.3-169.8175.80110.5I16 L331 A332 Q333 M353I16-K311 HydrophobicContact CD1-CB 3.76Å; I16-K311 HydrophobicContact CG1-CB 4.13Å; K311-L331 VanDerWaalsContact CE-O 3.3Å; K311-L331 WeakPolarHBondContact CE-O 3.42Å; K311-L331 HydrophobicContact CG-CB 3.54Å; K311-L331 HydrophobicContact CG-CD1 4.42Å; K311-A332 PolarHBondContact N-O 2.86Å; K311-Q333 HydrophobicContact CD-CG 3.65Å; K311-Q333 HydrophobicContact CG-CG 4.49Å; K311-M353 WeakPolarHBondContact O-CE 3.1Å
312R92.9Very high73.3Confident126 Ų12684.6 Ų84.648%0.47542%0.417SS..  trans-127.1139.1177.7178169.8-167.3-156.9-0.5109.9W352 M353R312-W352 HydrophobicContact CB-CE3 4.26Å; R312-W352 HydrophobicContact CB-CH2 3.8Å; R312-W352 HydrophobicContact CB-CZ2 4.32Å; R312-W352 HydrophobicContact CB-CZ3 3.76Å; R312-W352 WeakPolarHBondContact CD-O 3.37Å; R312-W352 HydrophobicContact CG-CE3 4.5Å; R312-W352 HydrophobicContact CG-CZ3 4.45Å; R312-W352 VanDerWaalsContact CG-O 3.25Å; R312-W352 WeakPolarHBondContact CG-O 3.13Å; R312-W352 PolarHBondContact NE-O 3.01Å; R312-M353 CarbonylContact C-O 3.58Å; R312-M353 WeakPolarHBondContact CA-O 3.26Å
313R90.5Very high70.6Confident43 Ų4392.1 Ų92.116%0.16245%0.446CS..PPolyproline II helixtrans-74.1136.9167.7-73.2-168.2-105.3165-13.2110.1I16 M353 K354 D356 E357I16-R313 HydrophobicContact CB-CG 4.2Å; I16-R313 HydrophobicContact CD1-CG 3.83Å; I16-R313 HydrophobicContact CG1-CG 4.46Å; R313-M353 PolarHBondContact N-O 3.44Å; R313-K354 VanDerWaalsContact NH2-CB 3.3Å; R313-K354 VanDerWaalsContact NH2-CD 3.28Å; R313-D356 WeakPolarHBondContact CD-OD1 3.21Å; R313-D356 IonicContact CZ-OD1 3.21Å; R313-D356 IonicContact CZ-OD2 3.89Å; R313-D356 IonicContact NE-OD1 2.71Å; R313-D356 IonicContact NH1-OD1 3.6Å; R313-D356 PolarHBondContact NH1-OD1 2.98Å; R313-D356 IonicContact NH1-OD2 3.39Å; R313-D356 PolarHBondContact NH1-OD2 3.21Å; R313-E357 IonicContact CZ-OE1 3.38Å; R313-E357 IonicContact NH1-OE1 3.91Å; R313-E357 PolarHBondContact NH1-OE1 3.05Å; R313-E357 VanDerWaalsContact NH2-CD 3.28Å; R313-E357 IonicContact NH2-OE1 2.73Å; R313-E357 PolarHBondContact NH2-OE1 2.9Å; R313-E357 IonicContact NH2-OE2 2.84Å
314E78.5Confident67.7Low107 Ų10796.7 Ų96.750%0.548%0.48SS..PPolyproline II helixtrans-74.8139.9173.1-66.4177.1175.400110.2
315T57.7Low64.9Low76 Ų7695.9 Ų95.947%0.46648%0.481SS..PPolyproline II helixtrans-83125.6155.2520000105.6D317 P355T315-D317 PolarHBondContact O-N 2.97Å; T315-D317 VanDerWaalsContact O-N 3.14Å; T315-P355 HydrophobicContact CG2-CB 4.03Å; T315-P355 HydrophobicContact CG2-CG 3.73Å
316S50.1Low62.8Low108 Ų108101.8 Ų101.876%0.75551%0.513SS*.THydrogen-bonded Turntrans-43.2123.8179.7530000111.6
317D41.2Very low60.6Low157 Ų157108.9 Ų108.984%0.8455%0.551SS**THydrogen-bonded Turntrans126.20.9167.8-66.3-14.1000117.4T315T315-D317 PolarHBondContact O-N 2.97Å; T315-D317 VanDerWaalsContact O-N 3.14Å
318D40.3Very low59Low122 Ų122112.7 Ų112.765%0.65257%0.566SS**  trans-124.4106.2171.9-83.1-42.4000113.2H320D318-H320 PolarHBondContact O-N 2.89Å
319E37.9Very low57.8Low180 Ų180109.1 Ų109.184%0.84155%0.553SS**  trans-63.295.7171.8-67.3-179.2152.400111.8
320H38Very low57.3Low148 Ų148108.1 Ų108.169%0.68555%0.553SS**  trans-147.763.4162.5-75.1-41.6000113.9D318 H322D318-H320 PolarHBondContact O-N 2.89Å; H320-H322 PolarHBondContact O-N 3.27Å; H320-H322 VanDerWaalsContact O-N 3.09Å
321L40.7Very low57.1Low163 Ų163111.2 Ų111.285%0.85357%0.569SS**  trans-78.263.3150.9-97.1158.3000110.5
322H32.6Very low57.1Low137 Ų137107.6 Ų107.663%0.63455%0.553SS**  trans-119.9110.5156.1-63.5-45.5000103.4H320H320-H322 PolarHBondContact O-N 3.27Å; H320-H322 VanDerWaalsContact O-N 3.09Å
323Y37.2Very low57.2Low159 Ų159102.9 Ų102.962%0.62454%0.536SS*.  -155.3103.571.3-63.7-88.4000110.9V325 K328Y323-V325 HydrophobicContact CD1-CG2 4.11Å; Y323-K328 HydrophobicContact CD1-CD 4.17Å; Y323-K328 HydrophobicContact CG-CD 3.97Å
324S33.6Very low57.5Low111 Ų111100.9 Ų100.978%0.77653%0.528SS*.  trans-103.878.5138.71720000105.3
325V34Very low58.5Low76 Ų7695.8 Ų95.846%0.46151%0.505SS..  trans-82.3130.1152.1-179.50000102.9Y323 D327 K328Y323-V325 HydrophobicContact CD1-CG2 4.11Å; V325-D327 PolarHBondContact O-N 3.41Å; V325-K328 HydrophobicContact CB-CG 4.48Å; V325-K328 PolarHBondContact O-N 3.33Å
326N47Very low60.4Low158 Ų15892.1 Ų92.185%0.84548%0.482SS*.THydrogen-bonded Turntrans-51.8-9.1-174.4-75.4-29.6000115
327D48.8Very low62.6Low149 Ų14987.1 Ų87.180%0.79745%0.448SS*.THydrogen-bonded Turntrans-106.8-3.4179.6-58.9-41.8000115.1V325V325-D327 PolarHBondContact O-N 3.41Å
328K61.4Low65.1Low108 Ų10880.8 Ų80.847%0.4742%0.415SS..SBendtrans-87.4137.3176.9-71.5-158.3-172.5179.90111.2Y323 V325Y323-K328 HydrophobicContact CD1-CD 4.17Å; Y323-K328 HydrophobicContact CG-CD 3.97Å; V325-K328 HydrophobicContact CB-CG 4.48Å; V325-K328 PolarHBondContact O-N 3.33Å
329P67.1Low67.6Low36 Ų3675.9 Ų75.923%0.23439%0.391CS..PPolyproline II helixtrans-52.7149.1170.3-26.834.9000112.4G247 A251 W309G247-P329 VanDerWaalsContact O-CB 3.28Å; G247-P329 WeakPolarHBondContact O-CB 3.27Å; A251-P329 HydrophobicContact CB-CB 4.07Å; A251-P329 HydrophobicContact CB-CG 4.35Å; W309-P329 HydrophobicContact CE3-CB 4.14Å; W309-P329 HydrophobicContact CH2-CB 4.4Å; W309-P329 HydrophobicContact CH2-CG 3.88Å; W309-P329 HydrophobicContact CZ3-CB 3.62Å; W309-P329 HydrophobicContact CZ3-CG 3.55Å
330P84.4Confident70.1Confident28 Ų2869.1 Ų69.118%0.18236%0.36CS..PPolyproline II helixtrans-63.2143175.532.5-39.6000110.5L250 N254 I269L250-P330 HydrophobicContact CB-CG 4.01Å; L250-P330 WeakPolarHBondContact O-CG 3.16Å; N254-P330 HydrophobicContact CB-CB 4.21Å; N254-P330 HydrophobicContact CB-CG 3.53Å; I269-P330 HydrophobicContact CG2-CG 4.48Å
331L91.2Very high72.8Confident68 Ų6862.1 Ų62.136%0.35633%0.328SS..PPolyproline II helixtrans-84135.1170.1-61.1179.7000110.1Q308 K311Q308-L331 WeakPolarHBondContact O-CD2 3.48Å; K311-L331 VanDerWaalsContact CE-O 3.3Å; K311-L331 WeakPolarHBondContact CE-O 3.42Å; K311-L331 HydrophobicContact CG-CB 3.54Å; K311-L331 HydrophobicContact CG-CD1 4.42Å
332A94.9Very high75.4Confident0 Ų056.8 Ų56.80%030%0.297CS..BIsolated β-bridgetrans-74.6138.7177.200000112L250 I269 F271 W309 K311 V335L250-A332 HydrophobicContact CD1-CB 4.03Å; I269-A332 HydrophobicContact CG2-CB 4.32Å; I269-A332 CarbonylContact O-C 3.24Å; I269-A332 VanDerWaalsContact O-CA 3.27Å; I269-A332 WeakPolarHBondContact O-CA 3.41Å; I269-A332 WeakPolarHBondContact O-CB 3.16Å; F271-A332 HydrophobicContact CD1-CB 3.46Å; F271-A332 VanDerWaalsContact CD1-CB 3.46Å; F271-A332 HydrophobicContact CE1-CB 3.76Å; W309-A332 PolarHBondContact O-N 3.48Å; K311-A332 PolarHBondContact N-O 2.86Å; A332-V335 HydrophobicContact CB-CG2 3.71Å
333Q93.4Very high78.5Confident27 Ų2750.9 Ų50.913%0.12627%0.27CS..SBendtrans-85.6-40177.4-78.8164.9-40.200111.9L13 I16 R17 L268 I269 K311L13-Q333 PolarHBondContact O-NE2 3.2Å; L13-Q333 PolarHBondContact O-OE1 3.24Å; I16-Q333 WeakPolarHBondContact CA-O 3.09Å; R17-Q333 PolarHBondContact N-O 3.1Å; R17-Q333 VanDerWaalsContact N-O 3.17Å; L268-Q333 HydrophobicContact CD1-CB 4Å; L268-Q333 HydrophobicContact CG-CB 4.16Å; I269-Q333 PolarHBondContact O-N 2.8Å; K311-Q333 HydrophobicContact CD-CG 3.65Å; K311-Q333 HydrophobicContact CG-CG 4.49Å
334W97.9Very high81.3Confident0 Ų047.9 Ų47.90%026%0.262CS..EExtended strand (participates in β ladder)trans-109118.4-179.1-66.716.4000108.4W12 E15 R17 L19 V67 L125 F174 W202 F233 L268 L270 F271W12-W334 HydrophobicContact CB-CH2 4.01Å; W12-W334 HydrophobicContact CB-CZ2 3.62Å; W12-W334 HydrophobicContact CD2-CH2 4.18Å; W12-W334 AromaticContact CG-CH2 3.92Å; W12-W334 HydrophobicContact CG-CH2 3.92Å; W12-W334 AromaticContact CG-CZ2 3.88Å; W12-W334 HydrophobicContact CG-CZ2 3.88Å; E15-W334 PolarHBondContact O-NE1 3.21Å; R17-W334 HydrophobicContact CB-CD2 3.97Å; R17-W334 HydrophobicContact CB-CG 3.85Å; R17-W334 HydrophobicContact CG-CD2 4.35Å; R17-W334 HydrophobicContact CG-CZ2 4.14Å; R17-W334 VanDerWaalsContact O-CA 3.28Å; R17-W334 WeakPolarHBondContact O-CA 3.03Å; L19-W334 HydrophobicContact CD1-CB 4.44Å; L19-W334 HydrophobicContact CD2-CB 4.07Å; L19-W334 HydrophobicContact CD2-CE3 4.06Å; L19-W334 HydrophobicContact CG-CB 4.33Å; V67-W334 HydrophobicContact CG2-CE3 4.29Å; V67-W334 HydrophobicContact CG2-CZ3 4.2Å; L125-W334 HydrophobicContact CD1-CH2 3.92Å; F174-W334 HydrophobicContact CE1-CH2 4.22Å; F174-W334 HydrophobicContact CE1-CZ3 4Å; F174-W334 HydrophobicContact CZ-CH2 4.42Å; F174-W334 AromaticContact CZ-CZ3 3.75Å; F174-W334 HydrophobicContact CZ-CZ3 3.75Å; W202-W334 AromaticContact CE3-CE3 3.73Å; W202-W334 HydrophobicContact CE3-CE3 3.73Å; W202-W334 AromaticContact CE3-CZ3 3.74Å; W202-W334 HydrophobicContact CE3-CZ3 3.74Å; W202-W334 AromaticContact CZ3-CE3 3.4Å; W202-W334 HydrophobicContact CZ3-CE3 3.4Å; W202-W334 AromaticContact CZ3-CZ3 3.43Å; W202-W334 HydrophobicContact CZ3-CZ3 3.43Å; W202-W334 VanDerWaalsContact CZ3-CZ3 3.43Å; F233-W334 HydrophobicContact CE2-CE3 4.35Å; F233-W334 AromaticContact CE2-CH2 3.87Å; F233-W334 HydrophobicContact CE2-CH2 3.87Å; F233-W334 AromaticContact CE2-CZ3 3.75Å; F233-W334 HydrophobicContact CE2-CZ3 3.75Å; F233-W334 HydrophobicContact CZ-CH2 4.16Å; F233-W334 AromaticContact CZ-CZ3 3.89Å; F233-W334 HydrophobicContact CZ-CZ3 3.89Å; L268-W334 HydrophobicContact CD1-CD2 4.05Å; L268-W334 HydrophobicContact CD1-CG 3.95Å; L268-W334 HydrophobicContact CD1-CZ2 4.38Å; L268-W334 HydrophobicContact CD2-CB 3.95Å; L268-W334 HydrophobicContact CD2-CD2 4.13Å; L268-W334 HydrophobicContact CD2-CG 3.8Å; L270-W334 WeakPolarHBondContact CA-O 3.5Å; L270-W334 HydrophobicContact CB-CB 3.94Å; L270-W334 WeakPolarHBondContact CB-O 3.5Å; F271-W334 PolarHBondContact N-O 2.97Å
335V98.3Very high84.2Confident0 Ų043 Ų430%023%0.227CC..EExtended strand (participates in β ladder)trans-138135.9-172.3-174.20000110.3R17 V18 L19 F271 T306 A310 A332 L349 M353R17-V335 PolarHBondContact O-N 3.17Å; R17-V335 VanDerWaalsContact O-N 3.1Å; V18-V335 CarbonylContact C-O 3.55Å; V18-V335 VanDerWaalsContact CA-O 3.3Å; V18-V335 WeakPolarHBondContact CA-O 3.09Å; L19-V335 PolarHBondContact N-O 2.71Å; F271-V335 HydrophobicContact CD1-CG1 4.27Å; F271-V335 HydrophobicContact CD1-CG2 4.04Å; F271-V335 HydrophobicContact CD2-CG1 4.33Å; F271-V335 HydrophobicContact CE1-CB 4.31Å; F271-V335 HydrophobicContact CE1-CG1 3.68Å; F271-V335 HydrophobicContact CE1-CG2 3.62Å; F271-V335 HydrophobicContact CE2-CG1 3.75Å; F271-V335 HydrophobicContact CZ-CB 4.46Å; F271-V335 HydrophobicContact CZ-CG1 3.39Å; F271-V335 HydrophobicContact CZ-CG2 4.2Å; F271-V335 VanDerWaalsContact O-CA 3.3Å; F271-V335 WeakPolarHBondContact O-CA 3.17Å; T306-V335 HydrophobicContact CG2-CG1 3.53Å; A310-V335 HydrophobicContact CB-CB 4.38Å; A310-V335 HydrophobicContact CB-CG1 4.38Å; A310-V335 HydrophobicContact CB-CG2 3.79Å; A332-V335 HydrophobicContact CB-CG2 3.71Å; V335-L349 HydrophobicContact CB-CD2 4.42Å; V335-L349 HydrophobicContact CG1-CD2 4.01Å; V335-M353 HydrophobicContact CB-CE 3.8Å; V335-M353 HydrophobicContact CB-SD 3.79Å; V335-M353 HydrophobicContact CG2-CE 3.83Å; V335-M353 HydrophobicContact CG2-SD 4.36Å
336G98.1Very high87.2Confident0 Ų039.3 Ų39.30%021%0.205CC..EExtended strand (participates in β ladder)trans-156.9-144.2171.500000111.3F271 Y272F271-G336 PolarHBondContact O-N 2.85Å; Y272-G336 VanDerWaalsContact CA-O 3.32Å; Y272-G336 WeakPolarHBondContact CA-O 3.28Å; Y272-G336 VanDerWaalsContact CB-C 3.43Å
337G96.6Very high89.6Confident3 Ų335 Ų353%0.03118%0.177CC..EExtended strand (participates in β ladder)trans-135.5168.5-177.900000114.2D20 G21 A273D20-G337 PolarHBondContact O-N 2.8Å; D20-G337 VanDerWaalsContact O-O 3.13Å; G21-G337 WeakPolarHBondContact CA-O 3.45Å; A273-G337 CarbonylContact O-C 3.4Å; A273-G337 WeakPolarHBondContact O-CA 3.42Å
338C94.3Very high91.9Very high23 Ų2332.1 Ų32.116%0.15516%0.155CC..  trans-120.7-139.7173-164.60000109.6G22 C239 Y272 A273 N274 N340 V341G22-C338 WeakPolarHBondContact CA-O 3.5Å; G22-C338 PolarHBondContact N-O 3.29Å; C239-C338 HydrophobicContact CB-CB 4.17Å; C239-C338 VanDerWaalsContact CB-SG 3.58Å; C239-C338 VanDerWaalsContact SG-SG 3.68Å; Y272-C338 HydrophobicContact CD2-CB 4.43Å; A273-C338 PolarHBondContact O-N 3.19Å; N274-C338 HydrophobicContact CB-CB 4.35Å; C338-N340 PolarHBondContact O-N 2.68Å; C338-V341 WeakPolarHBondContact O-CB 3.34Å; C338-V341 PolarHBondContact O-N 3Å; C338-V341 VanDerWaalsContact O-N 3.08Å
339C91.4Very high93.6Very high20 Ų2027 Ų2714%0.13513%0.133CC..THydrogen-bonded Turntrans-45.7132.5178.9-63.90000112N274 D275 V341N274-C339 WeakPolarHBondContact CA-O 3.33Å; N274-C339 HydrophobicContact CB-CB 4.05Å; N274-C339 WeakPolarHBondContact CB-O 3.08Å; D275-C339 PolarHBondContact N-O 3.12Å; D275-C339 VanDerWaalsContact N-O 3.13Å; C339-V341 PolarHBondContact O-N 3.35Å; C339-V341 VanDerWaalsContact O-N 3.13Å
340N91.3Very high95Very high38 Ų3825.2 Ų25.220%0.20312%0.121CC..THydrogen-bonded Turntrans66.21.6178.4-50.3-41000116.4T25 D275 Q277 C338 R342T25-N340 WeakPolarHBondContact OG1-CA 3.29Å; T25-N340 PolarHBondContact OG1-N 3Å; T25-N340 PolarHBondContact OG1-OD1 2.94Å; D275-N340 HydrophobicContact CB-CB 3.77Å; D275-N340 VanDerWaalsContact CG-CB 3.44Å; D275-N340 PolarHBondContact OD1-ND2 3.34Å; D275-N340 WeakPolarHBondContact OD2-CB 3.22Å; D275-N340 PolarHBondContact OD2-ND2 2.86Å; D275-N340 VanDerWaalsContact OD2-ND2 3.08Å; Q277-N340 VanDerWaalsContact CD-ND2 3.28Å; Q277-N340 PolarHBondContact NE2-ND2 3.18Å; Q277-N340 VanDerWaalsContact NE2-ND2 3.12Å; Q277-N340 PolarHBondContact OE1-ND2 3.27Å; C338-N340 PolarHBondContact O-N 2.68Å; N340-R342 PolarHBondContact O-N 3.35Å
341V94.6Very high95.5Very high1 Ų128.6 Ų28.61%0.00613%0.133CC..  trans-86.3108.9170.2-173.90000109.5G21 G22 A273 W302 C338 C339 C345 I346G21-V341 CarbonylContact C-O 3.41Å; G21-V341 WeakPolarHBondContact CA-O 3.35Å; G22-V341 PolarHBondContact N-O 2.87Å; A273-V341 WeakPolarHBondContact O-CG2 3.19Å; W302-V341 HydrophobicContact CD2-CG1 4.36Å; W302-V341 HydrophobicContact CD2-CG2 4.31Å; W302-V341 HydrophobicContact CH2-CG1 3.67Å; W302-V341 HydrophobicContact CZ2-CB 4.36Å; W302-V341 HydrophobicContact CZ2-CG1 3.46Å; W302-V341 VanDerWaalsContact CZ2-CG1 3.46Å; W302-V341 HydrophobicContact CZ2-CG2 3.98Å; W302-V341 HydrophobicContact CZ3-CG1 4.2Å; C338-V341 WeakPolarHBondContact O-CB 3.34Å; C338-V341 PolarHBondContact O-N 3Å; C338-V341 VanDerWaalsContact O-N 3.08Å; C339-V341 PolarHBondContact O-N 3.35Å; C339-V341 VanDerWaalsContact O-N 3.13Å; V341-C345 HydrophobicContact CG1-CB 3.66Å; V341-I346 HydrophobicContact CG1-CD1 3.67Å; V341-I346 HydrophobicContact CG1-CG1 4.24Å
342R95.5Very high95.7Very high51 Ų5128.1 Ų28.119%0.19213%0.127CC..  trans-96169.2-170.9-61.5164.54997.552.8112.6T25 E26 N340 E344 C345 I346T25-R342 HydrophobicContact CG2-CG 4.4Å; E26-R342 IonicContact OE1-CZ 2.7Å; E26-R342 IonicContact OE1-NE 3.72Å; E26-R342 IonicContact OE1-NH2 2.95Å; E26-R342 PolarHBondContact OE1-NH2 3.43Å; E26-R342 IonicContact OE2-NH2 2.88Å; N340-R342 PolarHBondContact O-N 3.35Å; R342-E344 WeakPolarHBondContact CB-OE2 3.21Å; R342-E344 IonicContact CZ-OE2 2.72Å; R342-E344 IonicContact NE-OE2 3.96Å; R342-E344 PolarHBondContact NE-OE2 3.02Å; R342-E344 IonicContact NH2-OE1 3.43Å; R342-E344 IonicContact NH2-OE2 3.27Å; R342-E344 PolarHBondContact NH2-OE2 3.18Å; R342-E344 PolarHBondContact O-N 2.56Å; R342-E344 VanDerWaalsContact O-N 3.09Å; R342-C345 WeakPolarHBondContact O-CB 3.5Å; R342-C345 PolarHBondContact O-N 3Å; R342-I346 PolarHBondContact O-N 3.48Å; R342-I346 VanDerWaalsContact O-N 3.11Å
343P96.9Very high95.8Very high12 Ų1228.1 Ų28.18%0.07813%0.127CC..Hα-helixtrans-53-31.6176.3-28.836000114.2E26 S59 F60 A63 I346 R347E26-P343 VanDerWaalsContact CD-CD 3.49Å; E26-P343 HydrophobicContact CG-CG 4.18Å; S59-P343 WeakPolarHBondContact OG-CG 3.41Å; F60-P343 HydrophobicContact CD1-CB 4.35Å; F60-P343 HydrophobicContact CD1-CG 3.99Å; F60-P343 HydrophobicContact CE1-CB 4.44Å; F60-P343 HydrophobicContact CE1-CG 3.82Å; F60-P343 HydrophobicContact CE2-CG 4.49Å; F60-P343 HydrophobicContact CG-CG 4.39Å; F60-P343 HydrophobicContact CZ-CG 4.09Å; A63-P343 HydrophobicContact CB-CB 4.11Å; A63-P343 WeakPolarHBondContact CB-O 3.46Å; P343-I346 PolarHBondContact O-N 3.48Å; P343-R347 WeakPolarHBondContact O-CB 3.41Å; P343-R347 PolarHBondContact O-N 2.91Å
344E95.6Very high95.8Very high97 Ų9726.9 Ų26.945%0.45312%0.121SC..Hα-helixtrans-66-39.1177-56.283-17000112.3R342 R347 R348R342-E344 WeakPolarHBondContact CB-OE2 3.21Å; R342-E344 IonicContact CZ-OE2 2.72Å; R342-E344 IonicContact NE-OE2 3.96Å; R342-E344 PolarHBondContact NE-OE2 3.02Å; R342-E344 IonicContact NH2-OE1 3.43Å; R342-E344 IonicContact NH2-OE2 3.27Å; R342-E344 PolarHBondContact NH2-OE2 3.18Å; R342-E344 PolarHBondContact O-N 2.56Å; R342-E344 VanDerWaalsContact O-N 3.09Å; E344-R347 PolarHBondContact O-N 2.77Å; E344-R348 PolarHBondContact O-N 3.12Å
345C96.1Very high95.6Very high7 Ų728 Ų285%0.04713%0.129CC..Hα-helixtrans-66-45.7174.8-59.10000110.8H299 W302 V341 R342 R347 R348 L349H299-C345 VanDerWaalsContact CD2-SG 3.54Å; W302-C345 HydrophobicContact CE3-CB 3.98Å; W302-C345 HydrophobicContact CH2-CB 4.35Å; W302-C345 HydrophobicContact CZ3-CB 3.72Å; V341-C345 HydrophobicContact CG1-CB 3.66Å; R342-C345 WeakPolarHBondContact O-CB 3.5Å; R342-C345 PolarHBondContact O-N 3Å; C345-R347 VanDerWaalsContact C-N 3.3Å; C345-R347 PolarHBondContact O-N 3.16Å; C345-R348 WeakPolarHBondContact O-CB 3.37Å; C345-R348 PolarHBondContact O-N 3.32Å; C345-L349 PolarHBondContact O-N 3.35Å
346I97.4Very high95.3Very high0 Ų030 Ų300%014%0.139CC..Hα-helixtrans-65-36.3179-54.9-60.2000111.5V18 F60 A63 C65 W302 V341 R342 P343 R348 L349 A350V18-I346 HydrophobicContact CG1-CG2 3.42Å; V18-I346 VanDerWaalsContact CG1-CG2 3.42Å; F60-I346 HydrophobicContact CD1-CG1 4.08Å; F60-I346 HydrophobicContact CE1-CG1 3.98Å; A63-I346 HydrophobicContact CB-CB 4.39Å; C65-I346 WeakPolarHBondContact SG-CG2 3.3Å; W302-I346 HydrophobicContact CH2-CD1 4.27Å; V341-I346 HydrophobicContact CG1-CD1 3.67Å; V341-I346 HydrophobicContact CG1-CG1 4.24Å; R342-I346 PolarHBondContact O-N 3.48Å; R342-I346 VanDerWaalsContact O-N 3.11Å; P343-I346 PolarHBondContact O-N 3.48Å; I346-R348 VanDerWaalsContact C-N 3.3Å; I346-R348 PolarHBondContact O-N 2.99Å; I346-L349 PolarHBondContact O-N 3.1Å; I346-A350 WeakPolarHBondContact O-CB 3.33Å; I346-A350 PolarHBondContact O-N 3.25Å
347R96.6Very high95.1Very high67 Ų6730.3 Ų30.325%0.25314%0.14SC..Hα-helixtrans-57.7-45.1173.9-175.6-177.8-63.1-96.2-12.3112R62 A63 E117 P343 E344 C345 A350 K351R62-R347 PolarHBondContact O-NH2 2.93Å; A63-R347 HydrophobicContact CB-CB 4.04Å; A63-R347 WeakPolarHBondContact O-CA 3.48Å; E117-R347 IonicContact OE1-NH1 2.69Å; E117-R347 PolarHBondContact OE1-NH1 2.94Å; E117-R347 IonicContact OE2-CZ 3.5Å; E117-R347 IonicContact OE2-NH1 2.93Å; E117-R347 PolarHBondContact OE2-NH1 3.01Å; P343-R347 WeakPolarHBondContact O-CB 3.41Å; P343-R347 PolarHBondContact O-N 2.91Å; E344-R347 PolarHBondContact O-N 2.77Å; C345-R347 VanDerWaalsContact C-N 3.3Å; C345-R347 PolarHBondContact O-N 3.16Å; R347-A350 PolarHBondContact O-N 3.07Å; R347-K351 WeakPolarHBondContact O-CG 3.45Å; R347-K351 PolarHBondContact O-N 3.25Å
348R96.5Very high94.7Very high88 Ų8831.5 Ų31.533%0.33215%0.145SC..Hα-helixtrans-65.1-42.7177.5-167.4-171.8175.9176.26.6111.5D300 F303 E344 C345 I346 K351 W352D300-R348 IonicContact OD1-CZ 2.76Å; D300-R348 IonicContact OD1-NH1 3.15Å; D300-R348 PolarHBondContact OD1-NH1 3.04Å; D300-R348 IonicContact OD1-NH2 2.79Å; F303-R348 HydrophobicContact CD2-CB 4.2Å; F303-R348 HydrophobicContact CD2-CG 3.73Å; F303-R348 HydrophobicContact CE1-CG 4.45Å; F303-R348 HydrophobicContact CE2-CB 4.26Å; F303-R348 HydrophobicContact CE2-CG 3.59Å; F303-R348 HydrophobicContact CG-CG 4.23Å; F303-R348 HydrophobicContact CZ-CG 3.97Å; E344-R348 PolarHBondContact O-N 3.12Å; C345-R348 WeakPolarHBondContact O-CB 3.37Å; C345-R348 PolarHBondContact O-N 3.32Å; I346-R348 VanDerWaalsContact C-N 3.3Å; I346-R348 PolarHBondContact O-N 2.99Å; R348-K351 PolarHBondContact O-N 3.37Å; R348-W352 PolarHBondContact O-N 3.18Å
349L97.2Very high93.9Very high0 Ų036.5 Ų36.50%017%0.169CC..Hα-helixtrans-60-46.8175-178.663.8000111.5V18 W302 T306 I307 V335 C345 I346 W352 M353V18-L349 HydrophobicContact CG1-CD2 4.24Å; W302-L349 HydrophobicContact CH2-CB 4.3Å; W302-L349 HydrophobicContact CH2-CD2 3.99Å; W302-L349 HydrophobicContact CZ3-CB 4.44Å; T306-L349 HydrophobicContact CG2-CD1 3.74Å; T306-L349 HydrophobicContact CG2-CD2 4.25Å; I307-L349 HydrophobicContact CG2-CD1 4.31Å; V335-L349 HydrophobicContact CB-CD2 4.42Å; V335-L349 HydrophobicContact CG1-CD2 4.01Å; C345-L349 PolarHBondContact O-N 3.35Å; I346-L349 PolarHBondContact O-N 3.1Å; L349-W352 PolarHBondContact O-N 2.85Å; L349-W352 VanDerWaalsContact O-N 3.13Å; L349-M353 HydrophobicContact CD1-CG 3.79Å; L349-M353 HydrophobicContact CD1-SD 3.6Å; L349-M353 HydrophobicContact CD2-SD 4.02Å; L349-M353 HydrophobicContact CG-CG 4.15Å; L349-M353 HydrophobicContact CG-SD 3.64Å; L349-M353 PolarHBondContact O-N 3Å
350A96.9Very high92.5Very high0 Ų044.3 Ų44.30%022%0.223CC..Hα-helixtrans-62.1-46179.400000112.3V18 I346 R347 W352 M353 K354 F358V18-A350 HydrophobicContact CG1-CB 4.35Å; V18-A350 HydrophobicContact CG2-CB 4.04Å; I346-A350 WeakPolarHBondContact O-CB 3.33Å; I346-A350 PolarHBondContact O-N 3.25Å; R347-A350 PolarHBondContact O-N 3.07Å; A350-W352 PolarHBondContact O-N 3.31Å; A350-M353 PolarHBondContact O-N 2.86Å; A350-K354 WeakPolarHBondContact O-CG 3.1Å; A350-K354 PolarHBondContact O-N 3Å; A350-F358 VanDerWaalsContact C-CE2 3.4Å; A350-F358 HydrophobicContact CB-CE2 3.86Å; A350-F358 HydrophobicContact CB-CZ 3.7Å; A350-F358 WeakPolarHBondContact O-CE2 3.21Å
351K95.4Very high92.6Very high98 Ų9844.6 Ų44.643%0.42622%0.224SC..Hα-helixtrans-55.5-37174.1-77-176178.4-168.50112.2E117 R347 R348 P355 F358E117-K351 IonicContact OE2-NZ 2.64Å; R347-K351 WeakPolarHBondContact O-CG 3.45Å; R347-K351 PolarHBondContact O-N 3.25Å; R348-K351 PolarHBondContact O-N 3.37Å; K351-P355 WeakPolarHBondContact O-CA 3.22Å; K351-F358 HydrophobicContact CB-CD2 4.42Å; K351-F358 HydrophobicContact CB-CE2 4.45Å; K351-F358 HydrophobicContact CD-CD1 4.17Å; K351-F358 HydrophobicContact CD-CE1 4.31Å; K351-F358 HydrophobicContact CG-CD1 3.46Å; K351-F358 VanDerWaalsContact CG-CD1 3.46Å; K351-F358 HydrophobicContact CG-CD2 3.96Å; K351-F358 HydrophobicContact CG-CE1 3.48Å; K351-F358 VanDerWaalsContact CG-CE1 3.48Å; K351-F358 HydrophobicContact CG-CE2 3.99Å; K351-F358 HydrophobicContact CG-CG 3.7Å; K351-F358 HydrophobicContact CG-CZ 3.76Å
352W95.5Very high92.5Very high59 Ų5946.9 Ų46.922%0.22324%0.236CC..Hα-helixtrans-77.6-51.1178.3-173.590.6000112.5F303 I307 A310 R312 R348 L349 A350 K354 P355F303-W352 HydrophobicContact CE2-CB 4.02Å; F303-W352 HydrophobicContact CZ-CB 3.89Å; F303-W352 HydrophobicContact CZ-CG 4.06Å; I307-W352 HydrophobicContact CB-CD2 4.02Å; I307-W352 HydrophobicContact CB-CE3 4.08Å; I307-W352 HydrophobicContact CB-CH2 3.95Å; I307-W352 HydrophobicContact CB-CZ2 3.88Å; I307-W352 HydrophobicContact CB-CZ3 4.05Å; I307-W352 HydrophobicContact CG2-CD2 3.62Å; I307-W352 HydrophobicContact CG2-CE3 3.7Å; I307-W352 HydrophobicContact CG2-CG 4Å; I307-W352 HydrophobicContact CG2-CH2 4.48Å; I307-W352 HydrophobicContact CG2-CZ2 4.42Å; I307-W352 HydrophobicContact CG2-CZ3 4.14Å; I307-W352 WeakPolarHBondContact O-CH2 3.48Å; A310-W352 HydrophobicContact CB-CZ3 3.97Å; R312-W352 HydrophobicContact CB-CE3 4.26Å; R312-W352 HydrophobicContact CB-CH2 3.8Å; R312-W352 HydrophobicContact CB-CZ2 4.32Å; R312-W352 HydrophobicContact CB-CZ3 3.76Å; R312-W352 WeakPolarHBondContact CD-O 3.37Å; R312-W352 HydrophobicContact CG-CE3 4.5Å; R312-W352 HydrophobicContact CG-CZ3 4.45Å; R312-W352 VanDerWaalsContact CG-O 3.25Å; R312-W352 WeakPolarHBondContact CG-O 3.13Å; R312-W352 PolarHBondContact NE-O 3.01Å; R348-W352 PolarHBondContact O-N 3.18Å; L349-W352 PolarHBondContact O-N 2.85Å; L349-W352 VanDerWaalsContact O-N 3.13Å; A350-W352 PolarHBondContact O-N 3.31Å; W352-K354 VanDerWaalsContact C-N 3.35Å; W352-K354 PolarHBondContact O-N 3.18Å; W352-P355 WeakPolarHBondContact O-CD 3.47Å
353M95.4Very high92.3Very high0 Ų046.7 Ų46.70%024%0.238CC..Hα-helixtrans-69.7-30-174-72.5-177.572.600113.5I16 V18 A310 K311 R312 R313 V335 L349 A350I16-M353 HydrophobicContact CG2-CB 4.39Å; I16-M353 HydrophobicContact CG2-CE 3.62Å; V18-M353 HydrophobicContact CG2-CB 4.29Å; V18-M353 HydrophobicContact CG2-SD 4.03Å; A310-M353 HydrophobicContact CB-CE 4.32Å; A310-M353 HydrophobicContact CB-CG 4.45Å; A310-M353 HydrophobicContact CB-SD 4.32Å; K311-M353 WeakPolarHBondContact O-CE 3.1Å; R312-M353 CarbonylContact C-O 3.58Å; R312-M353 WeakPolarHBondContact CA-O 3.26Å; R313-M353 PolarHBondContact N-O 3.44Å; V335-M353 HydrophobicContact CB-CE 3.8Å; V335-M353 HydrophobicContact CB-SD 3.79Å; V335-M353 HydrophobicContact CG2-CE 3.83Å; V335-M353 HydrophobicContact CG2-SD 4.36Å; L349-M353 HydrophobicContact CD1-CG 3.79Å; L349-M353 HydrophobicContact CD1-SD 3.6Å; L349-M353 HydrophobicContact CD2-SD 4.02Å; L349-M353 HydrophobicContact CG-CG 4.15Å; L349-M353 HydrophobicContact CG-SD 3.64Å; L349-M353 PolarHBondContact O-N 3Å; A350-M353 PolarHBondContact O-N 2.86Å
354K95Very high92.1Very high0 Ų048.7 Ų48.70%025%0.248CC..  trans-139.961.2-174.250.1177.5-166.9157.80111.4V18 G64 D66 R313 A350 W352 D356 E357 F358V18-K354 HydrophobicContact CG2-CD 4.11Å; V18-K354 HydrophobicContact CG2-CG 4.35Å; G64-K354 WeakPolarHBondContact O-CE 3.27Å; G64-K354 PolarHBondContact O-NZ 3.25Å; D66-K354 IonicContact OD1-NZ 3.27Å; D66-K354 PolarHBondContact OD1-NZ 2.79Å; D66-K354 WeakPolarHBondContact OD2-CE 3.23Å; D66-K354 IonicContact OD2-NZ 3.61Å; D66-K354 PolarHBondContact OD2-NZ 3.41Å; R313-K354 VanDerWaalsContact NH2-CB 3.3Å; R313-K354 VanDerWaalsContact NH2-CD 3.28Å; A350-K354 WeakPolarHBondContact O-CG 3.1Å; A350-K354 PolarHBondContact O-N 3Å; W352-K354 VanDerWaalsContact C-N 3.35Å; W352-K354 PolarHBondContact O-N 3.18Å; K354-D356 PolarHBondContact O-N 3.02Å; K354-E357 HydrophobicContact CB-CG 4.44Å; K354-E357 HydrophobicContact CD-CG 4.43Å; K354-E357 WeakPolarHBondContact CD-OE2 3.14Å; K354-E357 WeakPolarHBondContact CE-OE2 3.39Å; K354-E357 IonicContact NZ-OE2 3.02Å; K354-E357 PolarHBondContact NZ-OE2 2.93Å; K354-E357 PolarHBondContact O-N 2.86Å; K354-E357 VanDerWaalsContact O-N 3.16Å; K354-F358 HydrophobicContact CG-CE2 4.43Å; K354-F358 WeakPolarHBondContact O-CD2 3.23Å
355P93.3Very high91.8Very high25 Ų2545.7 Ų45.716%0.16224%0.235CC..G310 helixtrans-61.9-26.9-174.428.3-35.7000112.2T315 K351 W352 E357 F358T315-P355 HydrophobicContact CG2-CB 4.03Å; T315-P355 HydrophobicContact CG2-CG 3.73Å; K351-P355 WeakPolarHBondContact O-CA 3.22Å; W352-P355 WeakPolarHBondContact O-CD 3.47Å; P355-E357 PolarHBondContact O-N 3.12Å; P355-F358 PolarHBondContact O-N 2.98Å; P355-F358 VanDerWaalsContact O-N 3.1Å
356D92Very high91.6Very high42 Ų4248.3 Ų48.323%0.22525%0.247CC..G310 helixtrans-67.7-6.7178.766.8-61.6000114.8K121 R313 K354K121-D356 WeakPolarHBondContact CD-OD2 3.32Å; K121-D356 VanDerWaalsContact CE-O 3.3Å; K121-D356 WeakPolarHBondContact CE-O 3.06Å; K121-D356 VanDerWaalsContact CE-OD2 3.32Å; K121-D356 WeakPolarHBondContact CE-OD2 3.05Å; K121-D356 PolarHBondContact NZ-O 3.34Å; K121-D356 IonicContact NZ-OD2 2.7Å; K121-D356 PolarHBondContact NZ-OD2 3.02Å; R313-D356 WeakPolarHBondContact CD-OD1 3.21Å; R313-D356 IonicContact CZ-OD1 3.21Å; R313-D356 IonicContact CZ-OD2 3.89Å; R313-D356 IonicContact NE-OD1 2.71Å; R313-D356 IonicContact NH1-OD1 3.6Å; R313-D356 PolarHBondContact NH1-OD1 2.98Å; R313-D356 IonicContact NH1-OD2 3.39Å; R313-D356 PolarHBondContact NH1-OD2 3.21Å; K354-D356 PolarHBondContact O-N 3.02Å
357E92.9Very high91.1Very high5 Ų551.7 Ų51.72%0.02327%0.265CS..G310 helixtrans-95.5-24.3170.6-62.9-164.5168.300112.9F118 Q119 K121 R313 K354 P355F118-E357 CarbonylContact C-O 3.4Å; F118-E357 WeakPolarHBondContact CA-O 3.31Å; F118-E357 HydrophobicContact CB-CB 4.44Å; F118-E357 WeakPolarHBondContact CB-O 3.4Å; F118-E357 HydrophobicContact CD2-CB 4.49Å; Q119-E357 PolarHBondContact N-O 3.4Å; Q119-E357 WeakPolarHBondContact O-CB 3.46Å; Q119-E357 WeakPolarHBondContact O-CG 3.46Å; K121-E357 HydrophobicContact CD-CG 4.46Å; K121-E357 HydrophobicContact CG-CG 4.16Å; K121-E357 PolarHBondContact N-OE1 3.25Å; R313-E357 IonicContact CZ-OE1 3.38Å; R313-E357 IonicContact NH1-OE1 3.91Å; R313-E357 PolarHBondContact NH1-OE1 3.05Å; R313-E357 VanDerWaalsContact NH2-CD 3.28Å; R313-E357 IonicContact NH2-OE1 2.73Å; R313-E357 PolarHBondContact NH2-OE1 2.9Å; R313-E357 IonicContact NH2-OE2 2.84Å; K354-E357 HydrophobicContact CB-CG 4.44Å; K354-E357 HydrophobicContact CD-CG 4.43Å; K354-E357 WeakPolarHBondContact CD-OE2 3.14Å; K354-E357 WeakPolarHBondContact CE-OE2 3.39Å; K354-E357 IonicContact NZ-OE2 3.02Å; K354-E357 PolarHBondContact NZ-OE2 2.93Å; K354-E357 PolarHBondContact O-N 2.86Å; K354-E357 VanDerWaalsContact O-N 3.16Å; P355-E357 PolarHBondContact O-N 3.12Å
358F89.8Confident90.7Very high28 Ų2850.5 Ų50.512%0.12327%0.266CS..BIsolated β-bridgetrans-89.1134.1-174.7-71.8-95.2000110.3F118 A350 K351 K354 P355 S360F118-F358 HydrophobicContact CB-CB 4.43Å; F118-F358 HydrophobicContact CB-CD1 3.62Å; F118-F358 HydrophobicContact CB-CD2 4.23Å; F118-F358 HydrophobicContact CB-CE1 3.81Å; F118-F358 HydrophobicContact CB-CE2 4.38Å; F118-F358 HydrophobicContact CB-CG 3.86Å; F118-F358 HydrophobicContact CB-CZ 4.19Å; F118-F358 HydrophobicContact CD1-CD1 4.44Å; F118-F358 AromaticContact CD1-CE1 3.87Å; F118-F358 HydrophobicContact CD1-CE1 3.87Å; F118-F358 HydrophobicContact CD1-CZ 4.23Å; F118-F358 HydrophobicContact CG-CD1 4.31Å; F118-F358 AromaticContact CG-CE1 3.98Å; F118-F358 HydrophobicContact CG-CE1 3.98Å; F118-F358 HydrophobicContact CG-CZ 4.13Å; A350-F358 VanDerWaalsContact C-CE2 3.4Å; A350-F358 HydrophobicContact CB-CE2 3.86Å; A350-F358 HydrophobicContact CB-CZ 3.7Å; A350-F358 WeakPolarHBondContact O-CE2 3.21Å; K351-F358 HydrophobicContact CB-CD2 4.42Å; K351-F358 HydrophobicContact CB-CE2 4.45Å; K351-F358 HydrophobicContact CD-CD1 4.17Å; K351-F358 HydrophobicContact CD-CE1 4.31Å; K351-F358 HydrophobicContact CG-CD1 3.46Å; K351-F358 VanDerWaalsContact CG-CD1 3.46Å; K351-F358 HydrophobicContact CG-CD2 3.96Å; K351-F358 HydrophobicContact CG-CE1 3.48Å; K351-F358 VanDerWaalsContact CG-CE1 3.48Å; K351-F358 HydrophobicContact CG-CE2 3.99Å; K351-F358 HydrophobicContact CG-CG 3.7Å; K351-F358 HydrophobicContact CG-CZ 3.76Å; K354-F358 HydrophobicContact CG-CE2 4.43Å; K354-F358 WeakPolarHBondContact O-CD2 3.23Å; P355-F358 PolarHBondContact O-N 2.98Å; P355-F358 VanDerWaalsContact O-N 3.1Å; F358-S360 PolarHBondContact O-N 3.35Å
359I77.1Confident90.2Very high129 Ų12947.4 Ų47.466%0.66226%0.26SS*.  trans-67.1123.9174.4-57.1170.7000107E117E117-I359 PolarHBondContact O-N 3.46Å
360S62.3Low89.6Confident183 Ų18351.7 Ų51.7100%1.2828%0.284SS*.  trans-62.60179.359.40000112.9F358F358-S360 PolarHBondContact O-N 3.35Å

Retrieved 360 of 360 residues in 100.6 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).