A0A075B795_HUMAN Loading...

Cytochrome P450 family 2 subfamily F member 1

AlphaFold DB , UniProt , Accession A0A075B795, Species HUMAN (Homo sapiens, Human), Gene CYP2F1, Length 172 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
1A82.9Confident92.1Very high109 Ų10971.4 Ų71.490%0.90139%0.387SS*.  0-56.2000000110.9V3 Q4 E5A1-V3 PolarHBondContact O-N 2.74Å; A1-V3 VanDerWaalsContact O-N 3.11Å; A1-Q4 WeakPolarHBondContact O-CB 3.27Å; A1-Q4 PolarHBondContact O-N 3.4Å; A1-E5 WeakPolarHBondContact CB-OE1 3.39Å; A1-E5 PolarHBondContact O-N 2.99Å
2R91.6Very high92Very high93 Ų9367.8 Ų67.835%0.35138%0.38SS..Hα-helixtrans-45.7-41-177.8-167171.8166.4-159.9-6117.5Q4 E5 E6 Y27 E90R2-Q4 PolarHBondContact O-N 2.73Å; R2-E5 PolarHBondContact O-N 3.35Å; R2-E6 PolarHBondContact O-N 2.87Å; R2-Y27 HydrophobicContact CB-CD1 4.19Å; R2-Y27 HydrophobicContact CB-CE1 3.59Å; R2-Y27 VanDerWaalsContact CD-CZ 3.49Å; R2-Y27 HydrophobicContact CG-CD1 3.73Å; R2-Y27 HydrophobicContact CG-CE1 3.52Å; R2-Y27 HydrophobicContact CG-CE2 4.41Å; R2-Y27 HydrophobicContact CG-CG 4.24Å; R2-Y27 VanDerWaalsContact NH2-CD2 3.33Å; R2-E90 IonicContact CZ-OE1 3.5Å; R2-E90 IonicContact NH1-OE1 3.42Å; R2-E90 PolarHBondContact NH1-OE1 3.48Å; R2-E90 IonicContact NH2-OE1 3.54Å
3V92.3Very high91.9Very high45 Ų4579.2 Ų79.227%0.27341%0.413SS..Hα-helixtrans-60.5-44.7174.4174.60000111.9A1 E5 E6 I7 Y27 T28 V31A1-V3 PolarHBondContact O-N 2.74Å; A1-V3 VanDerWaalsContact O-N 3.11Å; V3-E5 VanDerWaalsContact C-N 3.32Å; V3-E5 PolarHBondContact O-N 2.81Å; V3-E6 PolarHBondContact O-N 2.74Å; V3-I7 HydrophobicContact CG1-CD1 3.77Å; V3-I7 HydrophobicContact CG1-CG1 4.49Å; V3-I7 VanDerWaalsContact O-CG1 3.29Å; V3-I7 WeakPolarHBondContact O-CG1 3.47Å; V3-I7 PolarHBondContact O-N 2.77Å; V3-Y27 HydrophobicContact CG2-CD1 3.83Å; V3-Y27 HydrophobicContact CG2-CE1 3.65Å; V3-T28 HydrophobicContact CG1-CG2 4.15Å; V3-V31 HydrophobicContact CG2-CB 4.22Å; V3-V31 HydrophobicContact CG2-CG1 4.23Å; V3-V31 HydrophobicContact CG2-CG2 3.74Å
4Q90.6Very high91.8Very high108 Ų10881.3 Ų81.351%0.50545%0.448SS..Hα-helixtrans-67.3-37.2180-172.262.955.100111.3A1 R2 I7 D8A1-Q4 WeakPolarHBondContact O-CB 3.27Å; A1-Q4 PolarHBondContact O-N 3.4Å; R2-Q4 PolarHBondContact O-N 2.73Å; Q4-I7 PolarHBondContact O-N 3.3Å; Q4-D8 PolarHBondContact NE2-OD1 3.19Å; Q4-D8 VanDerWaalsContact O-CB 3.31Å; Q4-D8 WeakPolarHBondContact O-CB 2.91Å; Q4-D8 PolarHBondContact O-N 3.04Å
5E93.9Very high91.8Very high112 Ų11282.7 Ų82.752%0.52344%0.444SS..Hα-helixtrans-62.4-45.8175.6-69.8159-154.400111.3A1 R2 V3 D8 L9A1-E5 WeakPolarHBondContact CB-OE1 3.39Å; A1-E5 PolarHBondContact O-N 2.99Å; R2-E5 PolarHBondContact O-N 3.35Å; V3-E5 VanDerWaalsContact C-N 3.32Å; V3-E5 PolarHBondContact O-N 2.81Å; E5-D8 PolarHBondContact O-N 3.27Å; E5-L9 WeakPolarHBondContact O-CB 3.37Å; E5-L9 WeakPolarHBondContact O-CG 3.39Å; E5-L9 PolarHBondContact O-N 2.81Å
6E94.3Very high91.6Very high29 Ų2986.6 Ų86.614%0.13646%0.463CS..Hα-helixtrans-62.1-44.2176.6-172.1-176.3-12100111.8R2 V3 L9 V10 M25 P26 Y27 T28R2-E6 PolarHBondContact O-N 2.87Å; V3-E6 PolarHBondContact O-N 2.74Å; E6-L9 PolarHBondContact O-N 2.78Å; E6-V10 HydrophobicContact CG-CG2 4.46Å; E6-V10 WeakPolarHBondContact O-CG2 3.48Å; E6-V10 PolarHBondContact O-N 3.06Å; E6-M25 VanDerWaalsContact CD-CA 3.49Å; E6-M25 HydrophobicContact CG-CB 4.34Å; E6-M25 HydrophobicContact CG-CG 4.35Å; E6-P26 VanDerWaalsContact OE1-CD 3.24Å; E6-P26 WeakPolarHBondContact OE1-CD 3.43Å; E6-Y27 VanDerWaalsContact OE1-CB 3.23Å; E6-Y27 WeakPolarHBondContact OE1-CB 3.3Å; E6-Y27 PolarHBondContact OE1-N 2.85Å; E6-Y27 PolarHBondContact OE2-N 3.18Å; E6-T28 VanDerWaalsContact OE2-CB 3.27Å; E6-T28 WeakPolarHBondContact OE2-CB 3.36Å; E6-T28 PolarHBondContact OE2-N 2.82Å; E6-T28 PolarHBondContact OE2-OG1 2.84Å
7I92.6Very high91.4Very high32 Ų3285.4 Ų85.416%0.16446%0.461CS..Hα-helixtrans-61.9-47.2176.4-69.1168.2000110.8V3 Q4 L9 V10 V11 G12 P17 M25V3-I7 HydrophobicContact CG1-CD1 3.77Å; V3-I7 HydrophobicContact CG1-CG1 4.49Å; V3-I7 VanDerWaalsContact O-CG1 3.29Å; V3-I7 WeakPolarHBondContact O-CG1 3.47Å; V3-I7 PolarHBondContact O-N 2.77Å; Q4-I7 PolarHBondContact O-N 3.3Å; I7-L9 PolarHBondContact O-N 3.49Å; I7-V10 PolarHBondContact O-N 3.13Å; I7-V11 HydrophobicContact CG2-CB 4.37Å; I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 VanDerWaalsContact O-CB 3.32Å; I7-V11 WeakPolarHBondContact O-CB 3.44Å; I7-V11 PolarHBondContact O-N 3.32Å; I7-G12 PolarHBondContact O-N 2.85Å; I7-P17 HydrophobicContact CG2-CG 3.91Å; I7-M25 HydrophobicContact CG1-SD 3.97Å
8D93.9Very high91.3Very high41 Ų4183 Ų8322%0.21946%0.455CS..Hα-helixtrans-60.9-35179.2-81.810.7000111.3Q4 E5 G12 R13Q4-D8 PolarHBondContact NE2-OD1 3.19Å; Q4-D8 VanDerWaalsContact O-CB 3.31Å; Q4-D8 WeakPolarHBondContact O-CB 2.91Å; Q4-D8 PolarHBondContact O-N 3.04Å; E5-D8 PolarHBondContact O-N 3.27Å; D8-G12 VanDerWaalsContact O-CA 3.23Å; D8-G12 WeakPolarHBondContact O-CA 3.48Å; D8-G12 PolarHBondContact O-N 3.35Å; D8-R13 IonicContact OD1-NE 2.74Å; D8-R13 IonicContact OD2-CZ 3.67Å; D8-R13 IonicContact OD2-NE 3.77Å; D8-R13 PolarHBondContact OD2-NE 3Å; D8-R13 IonicContact OD2-NH2 3.08Å; D8-R13 PolarHBondContact OD2-NH2 2.99Å
9L94.6Very high91Very high152 Ų15286.8 Ų86.880%0.79647%0.474SS*.Hα-helixtrans-72.8-43.4177.6-73.5168.1000113.3E5 E6 I7E5-L9 WeakPolarHBondContact O-CB 3.37Å; E5-L9 WeakPolarHBondContact O-CG 3.39Å; E5-L9 PolarHBondContact O-N 2.81Å; E6-L9 PolarHBondContact O-N 2.78Å; I7-L9 PolarHBondContact O-N 3.49Å
10V93.4Very high91Very high51 Ų5190.6 Ų90.631%0.30949%0.486SS..Hα-helixtrans-86.2-42.6-172.7175.30000112.1E6 I7 D21 A24 M25E6-V10 HydrophobicContact CG-CG2 4.46Å; E6-V10 WeakPolarHBondContact O-CG2 3.48Å; E6-V10 PolarHBondContact O-N 3.06Å; I7-V10 PolarHBondContact O-N 3.13Å; V10-D21 HydrophobicContact CG1-CB 4.31Å; V10-A24 HydrophobicContact CG1-CB 3.74Å; V10-A24 HydrophobicContact CG2-CB 4.39Å; V10-A24 WeakPolarHBondContact CG2-O 3.31Å; V10-M25 HydrophobicContact CB-CG 3.97Å; V10-M25 HydrophobicContact CB-SD 4.46Å; V10-M25 HydrophobicContact CG1-CG 3.9Å; V10-M25 HydrophobicContact CG1-SD 4.46Å; V10-M25 HydrophobicContact CG2-CG 3.99Å
11V93.1Very high90.9Very high13 Ų1387 Ų878%0.07947%0.466CS..THydrogen-bonded Turntrans-97.5-33.4-173-178.30000110.9I7 R15 P17 D21 M25I7-V11 HydrophobicContact CG2-CB 4.37Å; I7-V11 HydrophobicContact CG2-CG2 4.43Å; I7-V11 VanDerWaalsContact O-CB 3.32Å; I7-V11 WeakPolarHBondContact O-CB 3.44Å; I7-V11 PolarHBondContact O-N 3.32Å; V11-R15 HydrophobicContact CG1-CG 3.73Å; V11-R15 VanDerWaalsContact CG1-O 3.32Å; V11-R15 WeakPolarHBondContact CG1-O 3.27Å; V11-P17 HydrophobicContact CG1-CG 4.43Å; V11-P17 HydrophobicContact CG2-CB 4.1Å; V11-P17 HydrophobicContact CG2-CG 4.23Å; V11-D21 HydrophobicContact CG2-CB 4.1Å; V11-M25 HydrophobicContact CG2-SD 4.01Å
12G91Very high91.1Very high29 Ų2987.1 Ų87.130%0.29944%0.443SS..  trans74.5178.7-166.800000112.2I7 D8I7-G12 PolarHBondContact O-N 2.85Å; D8-G12 VanDerWaalsContact O-CA 3.23Å; D8-G12 WeakPolarHBondContact O-CA 3.48Å; D8-G12 PolarHBondContact O-N 3.35Å
13R90.1Very high91Very high215 Ų21587.5 Ų87.581%0.81147%0.466SS*.SBendtrans-91.6-4.5-177.2-63.9-173.4175.8176.30.3114.9D8D8-R13 IonicContact OD1-NE 2.74Å; D8-R13 IonicContact OD2-CZ 3.67Å; D8-R13 IonicContact OD2-NE 3.77Å; D8-R13 PolarHBondContact OD2-NE 3Å; D8-R13 IonicContact OD2-NH2 3.08Å; D8-R13 PolarHBondContact OD2-NH2 2.99Å
14A90.6Very high91Very high109 Ų10988 Ų8890%0.90148%0.475SS*.SBendtrans-87-15.8-17200000113.8
15R91.7Very high91.1Very high103 Ų10383.5 Ų83.539%0.38945%0.454SS..SBendtrans-146.1160.6-176.168.4178.3-176.289.5-5.2111.1V11 D21V11-R15 HydrophobicContact CG1-CG 3.73Å; V11-R15 VanDerWaalsContact CG1-O 3.32Å; V11-R15 WeakPolarHBondContact CG1-O 3.27Å; R15-D21 IonicContact CZ-OD1 3.71Å; R15-D21 IonicContact CZ-OD2 2.7Å; R15-D21 IonicContact NH1-OD1 3.44Å; R15-D21 PolarHBondContact NH1-OD1 3.12Å; R15-D21 IonicContact NH1-OD2 3.35Å; R15-D21 PolarHBondContact NH1-OD2 2.96Å; R15-D21 IonicContact NH2-OD1 3.72Å; R15-D21 PolarHBondContact NH2-OD1 3.35Å; R15-D21 IonicContact NH2-OD2 2.83Å; R15-D21 PolarHBondContact NH2-OD2 3.19Å
16L89.7Confident91.2Very high144 Ų14479.7 Ų79.775%0.75444%0.439SS*.  trans-76.8152.1174.1-63.2175.7000111.5
17P88Confident91.2Very high66 Ų6680.1 Ų80.143%0.42944%0.44SS..  trans-60.3139.9171-21.833000111.7I7 V11 M25I7-P17 HydrophobicContact CG2-CG 3.91Å; V11-P17 HydrophobicContact CG1-CG 4.43Å; V11-P17 HydrophobicContact CG2-CB 4.1Å; V11-P17 HydrophobicContact CG2-CG 4.23Å; P17-M25 HydrophobicContact CB-CE 4.36Å
18A88.7Confident91.2Very high43 Ų4379.5 Ų79.536%0.35544%0.438SS..  trans-122.6163.5176.900000111.1K20 D21A18-K20 HydrophobicContact CB-CG 4.07Å; A18-K20 PolarHBondContact O-N 2.8Å; A18-K20 VanDerWaalsContact O-N 3.1Å; A18-D21 PolarHBondContact N-OD2 3.15Å; A18-D21 WeakPolarHBondContact O-CB 3.06Å; A18-D21 PolarHBondContact O-N 2.76Å
19L86.9Confident91.1Very high155 Ų15578.4 Ų78.481%0.81243%0.432SS*.G310 helixtrans-55.6-32.7-179.2-73.9174.3000113.6D21 R22L19-D21 PolarHBondContact O-N 3.15Å; L19-R22 VanDerWaalsContact O-CB 3.23Å; L19-R22 WeakPolarHBondContact O-CB 3.47Å; L19-R22 PolarHBondContact O-N 3.09Å
20K89.2Confident91Very high163 Ų16371.1 Ų71.171%0.70939%0.394SS*.G310 helixtrans-62.8-27.117663.7177.2-178.2177.90113.6A18 R22A18-K20 HydrophobicContact CB-CG 4.07Å; A18-K20 PolarHBondContact O-N 2.8Å; A18-K20 VanDerWaalsContact O-N 3.1Å; K20-R22 VanDerWaalsContact C-N 3.31Å
21D89.4Confident91Very high14 Ų1470 Ų708%0.07539%0.387CS..G310 helixtrans-80.5-18.2-178.2-53.4-49.4000111.1V10 V11 R15 A18 L19 A23 A24 M25V10-D21 HydrophobicContact CG1-CB 4.31Å; V11-D21 HydrophobicContact CG2-CB 4.1Å; R15-D21 IonicContact CZ-OD1 3.71Å; R15-D21 IonicContact CZ-OD2 2.7Å; R15-D21 IonicContact NH1-OD1 3.44Å; R15-D21 PolarHBondContact NH1-OD1 3.12Å; R15-D21 IonicContact NH1-OD2 3.35Å; R15-D21 PolarHBondContact NH1-OD2 2.96Å; R15-D21 IonicContact NH2-OD1 3.72Å; R15-D21 PolarHBondContact NH2-OD1 3.35Å; R15-D21 IonicContact NH2-OD2 2.83Å; R15-D21 PolarHBondContact NH2-OD2 3.19Å; A18-D21 PolarHBondContact N-OD2 3.15Å; A18-D21 WeakPolarHBondContact O-CB 3.06Å; A18-D21 PolarHBondContact O-N 2.76Å; L19-D21 PolarHBondContact O-N 3.15Å; D21-A23 VanDerWaalsContact C-N 3.28Å; D21-A23 PolarHBondContact O-N 3.14Å; D21-A24 PolarHBondContact O-N 2.85Å; D21-M25 HydrophobicContact CB-CE 3.9Å; D21-M25 PolarHBondContact O-N 2.9Å
22R87.9Confident90.8Very high112 Ų11273.1 Ų73.142%0.42340%0.402SS..G310 helixtrans-55.1-41.1-174.6-175.9-179.3177.61677.5113L19 K20 A24 M25 D29L19-R22 VanDerWaalsContact O-CB 3.23Å; L19-R22 WeakPolarHBondContact O-CB 3.47Å; L19-R22 PolarHBondContact O-N 3.09Å; K20-R22 VanDerWaalsContact C-N 3.31Å; R22-A24 PolarHBondContact O-N 3.06Å; R22-A24 VanDerWaalsContact O-N 3.17Å; R22-M25 PolarHBondContact O-N 3.15Å; R22-D29 IonicContact CZ-OD1 2.82Å; R22-D29 IonicContact CZ-OD2 3.19Å; R22-D29 IonicContact NE-OD1 3.48Å; R22-D29 PolarHBondContact NE-OD1 3.49Å; R22-D29 IonicContact NE-OD2 2.73Å; R22-D29 PolarHBondContact NE-OD2 3.3Å; R22-D29 IonicContact NH2-OD1 3.33Å; R22-D29 PolarHBondContact NH2-OD1 3.04Å; R22-D29 IonicContact NH2-OD2 3.41Å; R22-D29 PolarHBondContact NH2-OD2 3.12Å
23A88.3Confident90.7Very high101 Ų10172.5 Ų72.584%0.83539%0.392SS*.G310 helixtrans-62.7-22.2179.800000113.1D21D21-A23 VanDerWaalsContact C-N 3.28Å; D21-A23 PolarHBondContact O-N 3.14Å
24A93.1Very high90.7Very high55 Ų5562.3 Ų62.346%0.45535%0.353SS..G310 helixtrans-98.83.2177.400000113.2V10 D21 R22 P26V10-A24 HydrophobicContact CG1-CB 3.74Å; V10-A24 HydrophobicContact CG2-CB 4.39Å; V10-A24 WeakPolarHBondContact CG2-O 3.31Å; D21-A24 PolarHBondContact O-N 2.85Å; R22-A24 PolarHBondContact O-N 3.06Å; R22-A24 VanDerWaalsContact O-N 3.17Å; A24-P26 WeakPolarHBondContact O-CD 3.42Å
25M93.8Very high90.6Very high14 Ų1460.4 Ų60.47%0.06933%0.33CS..  trans-121.661.8179.9-62-174.9-59.100111.6E6 I7 V10 V11 P17 D21 R22 Y27 T28 D29E6-M25 VanDerWaalsContact CD-CA 3.49Å; E6-M25 HydrophobicContact CG-CB 4.34Å; E6-M25 HydrophobicContact CG-CG 4.35Å; I7-M25 HydrophobicContact CG1-SD 3.97Å; V10-M25 HydrophobicContact CB-CG 3.97Å; V10-M25 HydrophobicContact CB-SD 4.46Å; V10-M25 HydrophobicContact CG1-CG 3.9Å; V10-M25 HydrophobicContact CG1-SD 4.46Å; V10-M25 HydrophobicContact CG2-CG 3.99Å; V11-M25 HydrophobicContact CG2-SD 4.01Å; P17-M25 HydrophobicContact CB-CE 4.36Å; D21-M25 HydrophobicContact CB-CE 3.9Å; D21-M25 PolarHBondContact O-N 2.9Å; R22-M25 PolarHBondContact O-N 3.15Å; M25-Y27 VanDerWaalsContact C-N 3.31Å; M25-Y27 PolarHBondContact O-N 3.42Å; M25-T28 PolarHBondContact O-N 3.23Å; M25-D29 PolarHBondContact O-N 3.22Å
26P94.3Very high90.2Very high32 Ų3258.5 Ų58.521%0.20833%0.326CS..Hα-helixtrans-62.3-34.6-174.826.3-35.7000113.4E6 A24 D29 A30 L93 Q97 F99E6-P26 VanDerWaalsContact OE1-CD 3.24Å; E6-P26 WeakPolarHBondContact OE1-CD 3.43Å; A24-P26 WeakPolarHBondContact O-CD 3.42Å; P26-D29 PolarHBondContact O-N 3.04Å; P26-A30 WeakPolarHBondContact O-CB 3.03Å; P26-A30 PolarHBondContact O-N 2.82Å; P26-L93 HydrophobicContact CB-CD2 4.34Å; P26-Q97 WeakPolarHBondContact CB-O 3.24Å; P26-Q97 WeakPolarHBondContact CG-O 3.41Å; P26-F99 HydrophobicContact CB-CB 4.07Å
27Y94.2Very high90.1Very high39 Ų3951.6 Ų51.615%0.15329%0.29CS..Hα-helixtrans-70.3-41.7179.5-175.2-102.4000111.5R2 V3 E6 M25 D29 A30 V31 P89 L93R2-Y27 HydrophobicContact CB-CD1 4.19Å; R2-Y27 HydrophobicContact CB-CE1 3.59Å; R2-Y27 VanDerWaalsContact CD-CZ 3.49Å; R2-Y27 HydrophobicContact CG-CD1 3.73Å; R2-Y27 HydrophobicContact CG-CE1 3.52Å; R2-Y27 HydrophobicContact CG-CE2 4.41Å; R2-Y27 HydrophobicContact CG-CG 4.24Å; R2-Y27 VanDerWaalsContact NH2-CD2 3.33Å; V3-Y27 HydrophobicContact CG2-CD1 3.83Å; V3-Y27 HydrophobicContact CG2-CE1 3.65Å; E6-Y27 VanDerWaalsContact OE1-CB 3.23Å; E6-Y27 WeakPolarHBondContact OE1-CB 3.3Å; E6-Y27 PolarHBondContact OE1-N 2.85Å; E6-Y27 PolarHBondContact OE2-N 3.18Å; M25-Y27 VanDerWaalsContact C-N 3.31Å; M25-Y27 PolarHBondContact O-N 3.42Å; Y27-D29 VanDerWaalsContact C-N 3.31Å; Y27-D29 PolarHBondContact O-N 2.84Å; Y27-A30 WeakPolarHBondContact O-CB 3.44Å; Y27-A30 PolarHBondContact O-N 3.09Å; Y27-V31 HydrophobicContact CD1-CG2 4.19Å; Y27-V31 HydrophobicContact CE1-CG2 3.81Å; Y27-V31 WeakPolarHBondContact O-CG2 3.3Å; Y27-V31 PolarHBondContact O-N 3.01Å; Y27-P89 HydrophobicContact CE2-CB 4.02Å; Y27-L93 HydrophobicContact CD2-CD1 3.75Å; Y27-L93 HydrophobicContact CE2-CD1 4.32Å
28T93.6Very high89.7Confident19 Ų1951.4 Ų51.412%0.11728%0.282CS..Hα-helixtrans-60.9-42.4174.2-58.70000110.7V3 E6 M25 V31 I32V3-T28 HydrophobicContact CG1-CG2 4.15Å; E6-T28 VanDerWaalsContact OE2-CB 3.27Å; E6-T28 WeakPolarHBondContact OE2-CB 3.36Å; E6-T28 PolarHBondContact OE2-N 2.82Å; E6-T28 PolarHBondContact OE2-OG1 2.84Å; M25-T28 PolarHBondContact O-N 3.23Å; T28-V31 PolarHBondContact O-N 2.85Å; T28-I32 HydrophobicContact CG2-CD1 4.24Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.27Å
29D92Very high89Confident17 Ų1751.7 Ų51.79%0.09128%0.284CS..Hα-helixtrans-65.2-41.8177.1-151.63.7000111.6R22 M25 P26 Y27 V31 I32 H33 F99R22-D29 IonicContact CZ-OD1 2.82Å; R22-D29 IonicContact CZ-OD2 3.19Å; R22-D29 IonicContact NE-OD1 3.48Å; R22-D29 PolarHBondContact NE-OD1 3.49Å; R22-D29 IonicContact NE-OD2 2.73Å; R22-D29 PolarHBondContact NE-OD2 3.3Å; R22-D29 IonicContact NH2-OD1 3.33Å; R22-D29 PolarHBondContact NH2-OD1 3.04Å; R22-D29 IonicContact NH2-OD2 3.41Å; R22-D29 PolarHBondContact NH2-OD2 3.12Å; M25-D29 PolarHBondContact O-N 3.22Å; P26-D29 PolarHBondContact O-N 3.04Å; Y27-D29 VanDerWaalsContact C-N 3.31Å; Y27-D29 PolarHBondContact O-N 2.84Å; D29-V31 PolarHBondContact O-N 3.24Å; D29-I32 PolarHBondContact O-N 3.4Å; D29-H33 PolarHBondContact O-N 3.1Å; D29-H33 PolarHBondContact O-ND1 3.06Å; D29-H33 IonicContact OD1-CE1 2.84Å; D29-H33 PolarHBondContact OD1-CE1 2.76Å; D29-H33 IonicContact OD1-ND1 3.06Å; D29-H33 PolarHBondContact OD1-ND1 3.19Å; D29-F99 HydrophobicContact CB-CD2 3.87Å; D29-F99 HydrophobicContact CB-CE2 4.29Å; D29-F99 HydrophobicContact CB-CG 4.25Å
30A93.1Very high88Confident0 Ų045.7 Ų45.70%025%0.253CS..Hα-helixtrans-60-42.6174.100000112.6P26 Y27 I32 H33 E34 P89 F92 L93 F99P26-A30 WeakPolarHBondContact O-CB 3.03Å; P26-A30 PolarHBondContact O-N 2.82Å; Y27-A30 WeakPolarHBondContact O-CB 3.44Å; Y27-A30 PolarHBondContact O-N 3.09Å; A30-I32 PolarHBondContact O-N 2.61Å; A30-H33 PolarHBondContact O-N 3.23Å; A30-E34 WeakPolarHBondContact O-CB 3.25Å; A30-E34 PolarHBondContact O-N 2.73Å; A30-P89 HydrophobicContact CB-CB 4.4Å; A30-F92 HydrophobicContact CB-CB 3.8Å; A30-L93 HydrophobicContact CB-CD1 4.25Å; A30-L93 HydrophobicContact CB-CD2 3.72Å; A30-L93 HydrophobicContact CB-CG 3.77Å; A30-F99 HydrophobicContact CB-CD2 4.36Å
31V92.4Very high86.5Confident28 Ų2842.7 Ų42.717%0.1724%0.244CC..Hα-helixtrans-62-43.2175.3166.50000111.4V3 Y27 T28 D29 H33 E34 V35 F87 P89V3-V31 HydrophobicContact CG2-CB 4.22Å; V3-V31 HydrophobicContact CG2-CG1 4.23Å; V3-V31 HydrophobicContact CG2-CG2 3.74Å; Y27-V31 HydrophobicContact CD1-CG2 4.19Å; Y27-V31 HydrophobicContact CE1-CG2 3.81Å; Y27-V31 WeakPolarHBondContact O-CG2 3.3Å; Y27-V31 PolarHBondContact O-N 3.01Å; T28-V31 PolarHBondContact O-N 2.85Å; D29-V31 PolarHBondContact O-N 3.24Å; V31-H33 VanDerWaalsContact C-N 3.32Å; V31-H33 PolarHBondContact O-N 3.32Å; V31-E34 PolarHBondContact O-N 2.93Å; V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.47Å; V31-V35 PolarHBondContact O-N 3.49Å; V31-F87 HydrophobicContact CG1-CZ 4.26Å; V31-P89 HydrophobicContact CG2-CB 3.81Å; V31-P89 HydrophobicContact CG2-CG 3.63Å
32I89.6Confident84.9Confident78 Ų7846.6 Ų46.640%0.426%0.264SS..Hα-helixtrans-60.9-44.1177.4-69.7165.2000110.7T28 D29 A30 V35 Q36T28-I32 HydrophobicContact CG2-CD1 4.24Å; T28-I32 WeakPolarHBondContact O-CG1 3.31Å; T28-I32 PolarHBondContact O-N 3.27Å; D29-I32 PolarHBondContact O-N 3.4Å; A30-I32 PolarHBondContact O-N 2.61Å; I32-V35 PolarHBondContact O-N 3.32Å; I32-Q36 WeakPolarHBondContact O-CG 3.49Å; I32-Q36 PolarHBondContact O-N 3.28Å
33H88.7Confident83.5Confident16 Ų1643.7 Ų43.77%0.07426%0.259CS..Hα-helixtrans-66.7-39.4178.4-74.775.4000112D29 A30 V31 Q36 R37 F92 F99 F105D29-H33 PolarHBondContact O-N 3.1Å; D29-H33 PolarHBondContact O-ND1 3.06Å; D29-H33 IonicContact OD1-CE1 2.84Å; D29-H33 PolarHBondContact OD1-CE1 2.76Å; D29-H33 IonicContact OD1-ND1 3.06Å; D29-H33 PolarHBondContact OD1-ND1 3.19Å; A30-H33 PolarHBondContact O-N 3.23Å; V31-H33 VanDerWaalsContact C-N 3.32Å; V31-H33 PolarHBondContact O-N 3.32Å; H33-Q36 PolarHBondContact O-N 2.83Å; H33-R37 PolarHBondContact O-N 3.05Å; H33-F92 HydrophobicContact CB-CD1 3.86Å; H33-F92 HydrophobicContact CB-CD2 3.78Å; H33-F92 HydrophobicContact CB-CE1 3.91Å; H33-F92 HydrophobicContact CB-CE2 3.83Å; H33-F92 HydrophobicContact CB-CG 3.8Å; H33-F92 HydrophobicContact CB-CZ 3.89Å; H33-F99 HydrophobicContact CB-CE2 4.34Å; H33-F99 AromaticContact CD2-CZ 3.66Å; H33-F99 AromaticContact CE1-CE2 3.63Å; H33-F99 AromaticContact CE1-CZ 3.25Å; H33-F99 WeakPolarHBondContact CE1-CZ 3.23Å; H33-F99 AromaticContact CG-CE2 3.72Å; H33-F99 AromaticContact CG-CZ 3.78Å; H33-F99 AromaticContact ND1-CE2 3.42Å; H33-F99 WeakPolarHBondContact ND1-CE2 3.49Å; H33-F99 AromaticContact ND1-CZ 3.54Å; H33-F99 AromaticContact NE2-CZ 3.37Å; H33-F99 WeakPolarHBondContact NE2-CZ 3.37Å; H33-F105 HydrophobicContact CB-CE1 4.47Å; H33-F105 HydrophobicContact CB-CZ 4.17Å; H33-F105 AromaticContact CD2-CD1 3.71Å; H33-F105 AromaticContact CD2-CE1 3.2Å; H33-F105 WeakPolarHBondContact CD2-CE1 3.36Å; H33-F105 AromaticContact CD2-CZ 3.74Å; H33-F105 AromaticContact NE2-CE1 3.97Å; H33-F105 WeakPolarHBondContact O-CE2 3.34Å
34E90.4Very high82Confident0 Ų042.8 Ų42.80%024%0.239CC..Hα-helixtrans-67.8-36176.3-171.167.9173.500112A30 V31 Q36 R37 F38 F87 N88 H91 F92A30-E34 WeakPolarHBondContact O-CB 3.25Å; A30-E34 PolarHBondContact O-N 2.73Å; V31-E34 PolarHBondContact O-N 2.93Å; E34-Q36 VanDerWaalsContact C-N 3.34Å; E34-Q36 PolarHBondContact O-N 3.26Å; E34-R37 PolarHBondContact O-N 3.46Å; E34-R37 IonicContact OE1-CZ 2.9Å; E34-R37 IonicContact OE1-NE 3.28Å; E34-R37 PolarHBondContact OE1-NE 3.35Å; E34-R37 IonicContact OE1-NH2 3.99Å; E34-R37 PolarHBondContact OE1-NH2 2.94Å; E34-R37 IonicContact OE2-CZ 3.98Å; E34-R37 IonicContact OE2-NE 3.52Å; E34-R37 PolarHBondContact OE2-NE 3.28Å; E34-R37 IonicContact OE2-NH2 3.74Å; E34-F38 WeakPolarHBondContact O-CB 3.42Å; E34-F38 PolarHBondContact O-N 3.06Å; E34-F87 HydrophobicContact CB-CD2 4.49Å; E34-F87 HydrophobicContact CB-CE2 3.91Å; E34-F87 HydrophobicContact CB-CZ 4.12Å; E34-F87 HydrophobicContact CG-CD2 3.66Å; E34-F87 HydrophobicContact CG-CE1 4.44Å; E34-F87 HydrophobicContact CG-CE2 3.57Å; E34-F87 HydrophobicContact CG-CG 4.15Å; E34-F87 HydrophobicContact CG-CZ 3.98Å; E34-N88 PolarHBondContact OE1-N 3.29Å; E34-H91 IonicContact OE1-CE1 3.6Å; E34-H91 IonicContact OE1-ND1 2.79Å; E34-H91 PolarHBondContact OE1-ND1 3.45Å; E34-H91 VanDerWaalsContact OE1-ND1 3.08Å; E34-H91 IonicContact OE2-ND1 2.97Å; E34-H91 PolarHBondContact OE2-ND1 3.28Å; E34-F92 HydrophobicContact CB-CD2 4.21Å; E34-F92 HydrophobicContact CB-CE2 4.23Å; E34-F92 VanDerWaalsContact OE2-CE2 3.24Å; E34-F92 WeakPolarHBondContact OE2-CE2 3.4Å
35V87.6Confident80.6Confident69 Ų6941.4 Ų41.442%0.41822%0.224SC..Hα-helixtrans-60.9-45.2170.7169.20000110.4V31 I32 R37 F38 A39 F87V31-V35 VanDerWaalsContact O-CG2 3.31Å; V31-V35 WeakPolarHBondContact O-CG2 3.47Å; V31-V35 PolarHBondContact O-N 3.49Å; I32-V35 PolarHBondContact O-N 3.32Å; V35-R37 PolarHBondContact O-N 3.23Å; V35-F38 PolarHBondContact O-N 2.9Å; V35-A39 WeakPolarHBondContact O-CB 3.37Å; V35-A39 PolarHBondContact O-N 2.91Å; V35-F87 HydrophobicContact CB-CE2 4.48Å; V35-F87 HydrophobicContact CG2-CE2 3.7Å; V35-F87 HydrophobicContact CG2-CZ 3.96Å
36Q84.6Confident79.4Confident63 Ų6347 Ų4729%0.29425%0.253SS..Hα-helixtrans-64.2-38.4178.4-74.1179.9-0.700112.6I32 H33 E34 F105 P107I32-Q36 WeakPolarHBondContact O-CG 3.49Å; I32-Q36 PolarHBondContact O-N 3.28Å; H33-Q36 PolarHBondContact O-N 2.83Å; E34-Q36 VanDerWaalsContact C-N 3.34Å; E34-Q36 PolarHBondContact O-N 3.26Å; Q36-F105 HydrophobicContact CB-CE2 3.93Å; Q36-F105 HydrophobicContact CB-CZ 3.64Å; Q36-F105 VanDerWaalsContact OE1-CZ 3.25Å; Q36-P107 HydrophobicContact CB-CB 4.36Å
37R85.7Confident78.3Confident0 Ų049.2 Ų49.20%027%0.268CS..Hα-helixtrans-67.2-48.8175.8-173.4-165.370.779.3-2111.4H33 E34 V35 H75 F81 P84 E86 F92 F105H33-R37 PolarHBondContact O-N 3.05Å; E34-R37 PolarHBondContact O-N 3.46Å; E34-R37 IonicContact OE1-CZ 2.9Å; E34-R37 IonicContact OE1-NE 3.28Å; E34-R37 PolarHBondContact OE1-NE 3.35Å; E34-R37 IonicContact OE1-NH2 3.99Å; E34-R37 PolarHBondContact OE1-NH2 2.94Å; E34-R37 IonicContact OE2-CZ 3.98Å; E34-R37 IonicContact OE2-NE 3.52Å; E34-R37 PolarHBondContact OE2-NE 3.28Å; E34-R37 IonicContact OE2-NH2 3.74Å; V35-R37 PolarHBondContact O-N 3.23Å; R37-H75 HydrophobicContact CG-CB 3.8Å; R37-H75 PolarHBondContact NH1-O 3.19Å; R37-F81 HydrophobicContact CG-CE2 4.49Å; R37-F81 HydrophobicContact CG-CZ 4.31Å; R37-P84 PolarHBondContact NH1-O 2.85Å; R37-P84 PolarHBondContact NH2-O 3.19Å; R37-E86 PolarHBondContact NH2-O 3.39Å; R37-F92 HydrophobicContact CB-CE2 4.44Å; R37-F92 HydrophobicContact CB-CZ 4.45Å; R37-F105 HydrophobicContact CB-CD2 4.32Å; R37-F105 HydrophobicContact CB-CE2 4.1Å
38F80.3Confident77.3Confident61 Ų6152 Ų5227%0.26828%0.282SS..Hα-helixtrans-84.2-32.8-168.2-164.9-99.1000113.7E34 V35 D40 Y76 Q85 F87E34-F38 WeakPolarHBondContact O-CB 3.42Å; E34-F38 PolarHBondContact O-N 3.06Å; V35-F38 PolarHBondContact O-N 2.9Å; F38-D40 PolarHBondContact O-N 3.36Å; F38-Y76 PolarHBondContact O-OH 3.05Å; F38-Q85 WeakPolarHBondContact CE2-O 3.2Å; F38-F87 HydrophobicContact CB-CD2 4.1Å; F38-F87 HydrophobicContact CD1-CB 4.43Å; F38-F87 HydrophobicContact CD1-CD2 4.3Å; F38-F87 HydrophobicContact CG-CB 4.47Å; F38-F87 HydrophobicContact CG-CD2 4.23Å
39A75.1Confident76.6Confident49 Ų4958.7 Ų58.741%0.40531%0.305SS..SBendtrans-72.3-18176.900000112.5V35 I41V35-A39 WeakPolarHBondContact O-CB 3.37Å; V35-A39 PolarHBondContact O-N 2.91Å; A39-I41 HydrophobicContact CB-CD1 4.08Å; A39-I41 HydrophobicContact CB-CG1 3.63Å; A39-I41 PolarHBondContact O-N 3.48Å
40D64.2Low76Confident29 Ų2959 Ų5916%0.15531%0.307CS..  trans42.545.5175.9-16226.9000112.4F38 I42 P43 N72 H75F38-D40 PolarHBondContact O-N 3.36Å; D40-I42 PolarHBondContact O-N 3.21Å; D40-I42 VanDerWaalsContact O-N 3.09Å; D40-P43 VanDerWaalsContact O-CD 3.31Å; D40-P43 WeakPolarHBondContact O-CD 3.4Å; D40-P43 WeakPolarHBondContact OD1-CA 3.29Å; D40-P43 WeakPolarHBondContact OD2-CB 3.39Å; D40-N72 WeakPolarHBondContact OD2-CB 3.24Å; D40-H75 IonicContact OD1-ND1 3.29Å
41I58Low75.6Confident100 Ų10063.2 Ų63.251%0.51333%0.333SS..SBendtrans-61.7-27.8-164.9-59.5176000111.5A39A39-I41 HydrophobicContact CB-CD1 4.08Å; A39-I41 HydrophobicContact CB-CG1 3.63Å; A39-I41 PolarHBondContact O-N 3.48Å
42I57.3Low75.1Confident97 Ų9770.5 Ų70.550%0.49736%0.358SS..  trans-131.284.2174.9-56.2-178.9000106.9D40 M44D40-I42 PolarHBondContact O-N 3.21Å; D40-I42 VanDerWaalsContact O-N 3.09Å; I42-M44 WeakPolarHBondContact CG2-O 3.26Å; I42-M44 PolarHBondContact O-N 3.12Å
43P56.8Low74.8Confident50 Ų5071.5 Ų71.533%0.32536%0.364SS..SBendtrans-67.9-19.1-176.626.8-32.4000112D40 L71 N72D40-P43 VanDerWaalsContact O-CD 3.31Å; D40-P43 WeakPolarHBondContact O-CD 3.4Å; D40-P43 WeakPolarHBondContact OD1-CA 3.29Å; D40-P43 WeakPolarHBondContact OD2-CB 3.39Å; P43-L71 PolarHBondContact O-N 3.4Å; P43-N72 HydrophobicContact CB-CB 4.25Å
44M57.9Low74.4Confident83 Ų8373.2 Ų73.241%0.40938%0.376SS..BIsolated β-bridgetrans-124119.3-175.5-60.4-177.163.200109.4I42 I68 L70I42-M44 WeakPolarHBondContact CG2-O 3.26Å; I42-M44 PolarHBondContact O-N 3.12Å; M44-I68 HydrophobicContact CB-CG2 3.91Å; M44-I68 HydrophobicContact CE-CB 4.31Å; M44-I68 HydrophobicContact CE-CD1 3.86Å; M44-I68 HydrophobicContact CE-CG2 3.58Å; M44-I68 HydrophobicContact CG-CG2 4.47Å; M44-L70 HydrophobicContact CE-CD2 4.31Å; M44-L70 HydrophobicContact CG-CD2 3.71Å; M44-L70 HydrophobicContact SD-CD2 4.39Å
45N63.7Low74.2Confident26 Ų2677.2 Ų77.214%0.13941%0.409CS..PPolyproline II helixtrans-64.2166.4170.9-170.423.7000110.6H48 I68 T69 L71 S109N45-H48 PolarHBondContact ND2-NE2 3.18Å; N45-I68 WeakPolarHBondContact O-CG2 3.49Å; N45-T69 PolarHBondContact N-O 3.05Å; N45-L71 HydrophobicContact CB-CD1 4.21Å; N45-L71 HydrophobicContact CB-CG 4.3Å; N45-S109 VanDerWaalsContact ND2-CB 3.27Å; N45-S109 WeakPolarHBondContact ND2-CB 3.4Å; N45-S109 PolarHBondContact ND2-OG 2.97Å
46L67.8Low73.7Confident131 Ų13177.6 Ų77.669%0.68641%0.405SS*.PPolyproline II helixtrans-58142.2173.9-68.8173.5000110.8H48L46-H48 PolarHBondContact O-CD2 3.19Å; L46-H48 PolarHBondContact O-N 3.31Å; L46-H48 PolarHBondContact O-NE2 2.53Å
47P72.1Confident73.3Confident78 Ų7880.7 Ų80.751%0.50641%0.414SS..PPolyproline II helixtrans-58.7129.6173.6-20.430.3000111.1I68P47-I68 HydrophobicContact CB-CD1 4.44Å; P47-I68 HydrophobicContact CB-CG1 3.89Å; P47-I68 HydrophobicContact CG-CD1 4.06Å; P47-I68 HydrophobicContact CG-CG1 3.91Å
48H73.7Confident73.1Confident98 Ų9884.8 Ų84.845%0.45446%0.456SS..EExtended strand (participates in β ladder)trans-106.8133171.9-66-81.9000109.4N45 L46 V67N45-H48 PolarHBondContact ND2-NE2 3.18Å; L46-H48 PolarHBondContact O-CD2 3.19Å; L46-H48 PolarHBondContact O-N 3.31Å; L46-H48 PolarHBondContact O-NE2 2.53Å; H48-V67 PolarHBondContact N-O 3.16Å; H48-V67 PolarHBondContact O-N 3.31Å
49R77.8Confident72.9Confident159 Ų15989.2 Ų89.260%0.648%0.475SS*.EExtended strand (participates in β ladder)trans-92.6128.4176.4-170.5157.3-65.7131.41.7111.5T51 D66R49-T51 PolarHBondContact O-N 2.86Å; R49-D66 IonicContact CZ-OD1 3.08Å; R49-D66 IonicContact CZ-OD2 3.67Å; R49-D66 IonicContact NE-OD1 2.73Å; R49-D66 PolarHBondContact NE-OD1 3.5Å; R49-D66 IonicContact NE-OD2 3.8Å; R49-D66 IonicContact NH2-OD1 2.75Å; R49-D66 PolarHBondContact NH2-OD1 3Å; R49-D66 IonicContact NH2-OD2 2.74Å; R49-D66 PolarHBondContact NH2-OD2 3.46Å
50V79.2Confident73.2Confident23 Ų2392.4 Ų92.414%0.13949%0.485CS..  trans-68.4121.1175.9174.70000109.5R52 I61 G64 T65 V67V50-R52 WeakPolarHBondContact CG1-O 3.35Å; V50-I61 HydrophobicContact CB-CG2 4.49Å; V50-I61 HydrophobicContact CG1-CG2 4.45Å; V50-I61 HydrophobicContact CG2-CG2 3.87Å; V50-G64 PolarHBondContact O-N 2.84Å; V50-T65 WeakPolarHBondContact CG2-O 3.46Å; V50-T65 PolarHBondContact N-O 3.41Å; V50-V67 HydrophobicContact CG2-CG2 3.62Å
51T85.8Confident74.1Confident89 Ų8992.3 Ų92.355%0.54648%0.484SS..SBendtrans-87.1-15.4-173.754.80000113.8R49 K63 L118R49-T51 PolarHBondContact O-N 2.86Å; T51-K63 VanDerWaalsContact O-CD 3.3Å; T51-K63 WeakPolarHBondContact O-CD 3.33Å; T51-K63 VanDerWaalsContact O-CE 3.27Å; T51-K63 WeakPolarHBondContact O-CE 3.29Å; T51-K63 WeakPolarHBondContact O-CG 3.43Å; T51-L118 HydrophobicContact CG2-CD1 4.41Å
52R81.7Confident75.2Confident182 Ų18290.9 Ų90.969%0.68748%0.481SS*.SBendtrans-153.6154.8177.864.2179.3-177.5176.7-0.4110.3V50 T54V50-R52 WeakPolarHBondContact CG1-O 3.35Å; R52-T54 PolarHBondContact O-N 3.33Å; R52-T54 PolarHBondContact O-OG1 3.19Å
53D83.7Confident76.4Confident98 Ų9893.2 Ų93.252%0.52449%0.488SS..  trans-51.7125.3173.1-66.45.4000110.2L60 I61 K63D53-L60 HydrophobicContact CB-CD1 4.25Å; D53-I61 CarbonylContact C-O 3.59Å; D53-I61 WeakPolarHBondContact CA-O 3.32Å; D53-K63 WeakPolarHBondContact OD1-CB 3.46Å; D53-K63 PolarHBondContact OD1-N 3.06Å
54T80.3Confident77.3Confident53 Ų5392.8 Ų92.833%0.32549%0.492SS..EExtended strand (participates in β ladder)trans-129.4117.9-170.5-62.50000109.4R52 I61R52-T54 PolarHBondContact O-N 3.33Å; R52-T54 PolarHBondContact O-OG1 3.19Å; T54-I61 PolarHBondContact N-O 3.29Å; T54-I61 PolarHBondContact O-N 3.48Å
55A84.6Confident78.1Confident84 Ų8490.3 Ų90.369%0.69448%0.482SS*.EExtended strand (participates in β ladder)trans-77.8123.4170.400000109.7F59A55-F59 CarbonylContact C-O 3.5Å; A55-F59 VanDerWaalsContact CA-O 3.31Å; A55-F59 WeakPolarHBondContact CA-O 3.31Å
56F77.4Confident78.8Confident76 Ų7691.2 Ų91.233%0.33349%0.487SS..EExtended strand (participates in β ladder)trans-137.1121179.1-176.7-99000110.6G58 F59 I61 I135F56-G58 PolarHBondContact O-N 3.33Å; F56-G58 VanDerWaalsContact O-N 3.12Å; F56-F59 PolarHBondContact N-O 3.31Å; F56-F59 WeakPolarHBondContact O-CB 3.04Å; F56-F59 PolarHBondContact O-N 3.49Å; F56-I61 HydrophobicContact CB-CD1 3.85Å; F56-I61 HydrophobicContact CG-CD1 4.49Å; F56-I135 HydrophobicContact CD1-CD1 3.47Å; F56-I135 VanDerWaalsContact CD1-CD1 3.47Å; F56-I135 HydrophobicContact CE1-CD1 3.38Å; F56-I135 HydrophobicContact CG-CD1 4.49Å; F56-I135 HydrophobicContact CZ-CD1 4.34Å
57R76.6Confident79.1Confident129 Ų12986.2 Ų86.249%0.48746%0.462SS..THydrogen-bonded Turntrans48.438.4178.9-64.1-174175-157.7-4.7114.3F59R57-F59 VanDerWaalsContact C-N 3.34Å; R57-F59 WeakPolarHBondContact O-CD2 3.28Å
58G81Confident79.1Confident85 Ų8583.2 Ų83.288%0.87644%0.441SS*.THydrogen-bonded Turntrans85.4-1.4-179.600000115.2F56F56-G58 PolarHBondContact O-N 3.33Å; F56-G58 VanDerWaalsContact O-N 3.12Å
59F76.6Confident78.8Confident154 Ų15481.5 Ų81.568%0.67544%0.438SS*.EExtended strand (participates in β ladder)trans-103145.5173.7-59.9-84.1000110.8A55 F56 R57A55-F59 CarbonylContact C-O 3.5Å; A55-F59 VanDerWaalsContact CA-O 3.31Å; A55-F59 WeakPolarHBondContact CA-O 3.31Å; F56-F59 PolarHBondContact N-O 3.31Å; F56-F59 WeakPolarHBondContact O-CB 3.04Å; F56-F59 PolarHBondContact O-N 3.49Å; R57-F59 VanDerWaalsContact C-N 3.34Å; R57-F59 WeakPolarHBondContact O-CD2 3.28Å
60L81.8Confident78.3Confident117 Ų11775.2 Ų75.261%0.61342%0.416SS*.EExtended strand (participates in β ladder)trans-95119.6169.4-173.168.2000109.1D53 P62D53-L60 HydrophobicContact CB-CD1 4.25Å; L60-P62 WeakPolarHBondContact O-CD 3.32Å
61I82.9Confident77.6Confident27 Ų2774.3 Ų74.314%0.13841%0.41CS..EExtended strand (participates in β ladder)trans-97.8112.8173.8-53.1173.7000107.7V50 D53 T54 F56 T65 V67V50-I61 HydrophobicContact CB-CG2 4.49Å; V50-I61 HydrophobicContact CG1-CG2 4.45Å; V50-I61 HydrophobicContact CG2-CG2 3.87Å; D53-I61 CarbonylContact C-O 3.59Å; D53-I61 WeakPolarHBondContact CA-O 3.32Å; T54-I61 PolarHBondContact N-O 3.29Å; T54-I61 PolarHBondContact O-N 3.48Å; F56-I61 HydrophobicContact CB-CD1 3.85Å; F56-I61 HydrophobicContact CG-CD1 4.49Å; I61-T65 HydrophobicContact CG2-CG2 3.93Å; I61-V67 HydrophobicContact CG2-CG2 4.44Å
62P81.1Confident76.6Confident69 Ų6972.3 Ų72.345%0.44840%0.396SS..  trans-64.6153.7-178.7-22.834.6000113.4L60 G64 T65L60-P62 WeakPolarHBondContact O-CD 3.32Å; P62-G64 PolarHBondContact O-N 3.32Å; P62-T65 WeakPolarHBondContact O-CB 3.31Å; P62-T65 PolarHBondContact O-N 3.39Å; P62-T65 PolarHBondContact O-OG1 3.38Å
63K82.5Confident75.9Confident146 Ų14665.6 Ų65.664%0.63538%0.376SS*.THydrogen-bonded Turntrans-55.4137165.9178.5176.4177.9-175.30110.2T51 D53 T65T51-K63 VanDerWaalsContact O-CD 3.3Å; T51-K63 WeakPolarHBondContact O-CD 3.33Å; T51-K63 VanDerWaalsContact O-CE 3.27Å; T51-K63 WeakPolarHBondContact O-CE 3.29Å; T51-K63 WeakPolarHBondContact O-CG 3.43Å; D53-K63 WeakPolarHBondContact OD1-CB 3.46Å; D53-K63 PolarHBondContact OD1-N 3.06Å; K63-T65 VanDerWaalsContact C-N 3.34Å
64G74.3Confident75.3Confident41 Ų4161.5 Ų61.542%0.42335%0.354SS..THydrogen-bonded Turntrans90.2-6.9179.100000114.1V50 P62V50-G64 PolarHBondContact O-N 2.84Å; P62-G64 PolarHBondContact O-N 3.32Å
65T75.5Confident75.1Confident31 Ų3159.2 Ų59.219%0.1934%0.34CS..  trans-68.6132.3174.2-59.40000111.2V50 I61 P62 K63 V67V50-T65 WeakPolarHBondContact CG2-O 3.46Å; V50-T65 PolarHBondContact N-O 3.41Å; I61-T65 HydrophobicContact CG2-CG2 3.93Å; P62-T65 WeakPolarHBondContact O-CB 3.31Å; P62-T65 PolarHBondContact O-N 3.39Å; P62-T65 PolarHBondContact O-OG1 3.38Å; K63-T65 VanDerWaalsContact C-N 3.34Å; T65-V67 HydrophobicContact CG2-CG2 4.39Å
66D77.7Confident74.7Confident46 Ų4658.2 Ų58.225%0.24632%0.318CS..EExtended strand (participates in β ladder)trans-82.8129.3169.2-69.6-33000110.3R49R49-D66 IonicContact CZ-OD1 3.08Å; R49-D66 IonicContact CZ-OD2 3.67Å; R49-D66 IonicContact NE-OD1 2.73Å; R49-D66 PolarHBondContact NE-OD1 3.5Å; R49-D66 IonicContact NE-OD2 3.8Å; R49-D66 IonicContact NH2-OD1 2.75Å; R49-D66 PolarHBondContact NH2-OD1 3Å; R49-D66 IonicContact NH2-OD2 2.74Å; R49-D66 PolarHBondContact NH2-OD2 3.46Å
67V75.1Confident74.9Confident26 Ų2655.3 Ų55.316%0.15831%0.306CS..EExtended strand (participates in β ladder)trans-119.6123.6-179.1176.70000108H48 V50 I61 T65 I135H48-V67 PolarHBondContact N-O 3.16Å; H48-V67 PolarHBondContact O-N 3.31Å; V50-V67 HydrophobicContact CG2-CG2 3.62Å; I61-V67 HydrophobicContact CG2-CG2 4.44Å; T65-V67 HydrophobicContact CG2-CG2 4.39Å; V67-I135 HydrophobicContact CG1-CG2 4.28Å
68I71.8Confident75.1Confident14 Ų1454 Ų547%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-111124.5175.9-59.9167.8000108.5M44 N45 P47 L138M44-I68 HydrophobicContact CB-CG2 3.91Å; M44-I68 HydrophobicContact CE-CB 4.31Å; M44-I68 HydrophobicContact CE-CD1 3.86Å; M44-I68 HydrophobicContact CE-CG2 3.58Å; M44-I68 HydrophobicContact CG-CG2 4.47Å; N45-I68 WeakPolarHBondContact O-CG2 3.49Å; P47-I68 HydrophobicContact CB-CD1 4.44Å; P47-I68 HydrophobicContact CB-CG1 3.89Å; P47-I68 HydrophobicContact CG-CD1 4.06Å; P47-I68 HydrophobicContact CG-CG1 3.91Å; I68-L138 HydrophobicContact CD1-CD1 3.75Å
69T67.1Low75.2Confident62 Ų6252.7 Ų52.738%0.3829%0.292SS..  trans-83.1122.2175.1-40.70000109.5N45 L71N45-T69 PolarHBondContact N-O 3.05Å; T69-L71 HydrophobicContact CG2-CD2 4.36Å; T69-L71 PolarHBondContact O-N 2.79Å
70L68.1Low75.5Confident27 Ų2748.3 Ų48.314%0.14127%0.274CS..BIsolated β-bridgetrans-84.398172.4-62.8-178.8000109.2M44 N72 T73 Q134M44-L70 HydrophobicContact CE-CD2 4.31Å; M44-L70 HydrophobicContact CG-CD2 3.71Å; M44-L70 HydrophobicContact SD-CD2 4.39Å; L70-N72 VanDerWaalsContact C-N 3.27Å; L70-N72 WeakPolarHBondContact CB-OD1 3.4Å; L70-N72 PolarHBondContact O-N 3.5Å; L70-T73 HydrophobicContact CB-CG2 3.98Å; L70-T73 PolarHBondContact O-OG1 3.03Å; L70-Q134 HydrophobicContact CD1-CB 4.06Å; L70-Q134 WeakPolarHBondContact CD1-O 3.31Å
71L63.7Low75.6Confident5 Ų542.9 Ų42.93%0.02625%0.245CC..THydrogen-bonded Turntrans-69.1-30.6-178-63.4174.5000111.5P43 N45 T69 T73 V74 H75 M106P43-L71 PolarHBondContact O-N 3.4Å; N45-L71 HydrophobicContact CB-CD1 4.21Å; N45-L71 HydrophobicContact CB-CG 4.3Å; T69-L71 HydrophobicContact CG2-CD2 4.36Å; T69-L71 PolarHBondContact O-N 2.79Å; L71-T73 PolarHBondContact O-N 2.94Å; L71-V74 PolarHBondContact O-N 3.22Å; L71-H75 PolarHBondContact O-N 2.9Å; L71-M106 HydrophobicContact CD2-CB 4.5Å
72N64.3Low75.7Confident46 Ų4648.9 Ų48.925%0.24628%0.277CS..Hα-helixtrans-56.2-35.9179.269-9.8000113.4D40 P43 L70 V74 H75 Y76D40-N72 WeakPolarHBondContact OD2-CB 3.24Å; P43-N72 HydrophobicContact CB-CB 4.25Å; L70-N72 VanDerWaalsContact C-N 3.27Å; L70-N72 WeakPolarHBondContact CB-OD1 3.4Å; L70-N72 PolarHBondContact O-N 3.5Å; N72-V74 PolarHBondContact O-N 3.42Å; N72-H75 PolarHBondContact O-N 3.37Å; N72-H75 VanDerWaalsContact O-N 3.12Å; N72-Y76 VanDerWaalsContact O-CD2 3.28Å; N72-Y76 WeakPolarHBondContact O-CD2 3.37Å; N72-Y76 PolarHBondContact O-N 3.17Å
73T67.9Low76.1Confident42 Ų4247.3 Ų47.326%0.25827%0.265SS..Hα-helixtrans-59.3-34.6-177.658.70000112.8L70 L71L70-T73 HydrophobicContact CB-CG2 3.98Å; L70-T73 PolarHBondContact O-OG1 3.03Å; L71-T73 PolarHBondContact O-N 2.94Å
74V71.6Confident76.2Confident11 Ų1141.1 Ų41.17%0.06724%0.24CC..Hα-helixtrans-82.7-34.7179178.90000111.1L71 N72 Y76 D77 A104 Y125L71-V74 PolarHBondContact O-N 3.22Å; N72-V74 PolarHBondContact O-N 3.42Å; V74-Y76 PolarHBondContact O-N 2.75Å; V74-D77 PolarHBondContact O-N 3.35Å; V74-A104 HydrophobicContact CG1-CB 3.64Å; V74-A104 VanDerWaalsContact CG1-O 3.26Å; V74-A104 WeakPolarHBondContact CG1-O 3.27Å; V74-Y125 HydrophobicContact CG1-CE1 3.96Å; V74-Y125 HydrophobicContact CG2-CE1 4.24Å
75H74.6Confident76.8Confident5 Ų545.4 Ų45.42%0.02325%0.249CC..Hα-helixtrans-66.7-23179.3-66.2164.2000113.8R37 D40 L71 N72 F81R37-H75 HydrophobicContact CG-CB 3.8Å; R37-H75 PolarHBondContact NH1-O 3.19Å; D40-H75 IonicContact OD1-ND1 3.29Å; L71-H75 PolarHBondContact O-N 2.9Å; N72-H75 PolarHBondContact O-N 3.37Å; N72-H75 VanDerWaalsContact O-N 3.12Å; H75-F81 WeakPolarHBondContact O-CD2 3.36Å
76Y76.9Confident77.5Confident64 Ų6449.7 Ų49.725%0.25127%0.267SS..THydrogen-bonded Turntrans-107.38.4177.5-67.5-76.4000114.3F38 N72 V74 P78 P84F38-Y76 PolarHBondContact O-OH 3.05Å; N72-Y76 VanDerWaalsContact O-CD2 3.28Å; N72-Y76 WeakPolarHBondContact O-CD2 3.37Å; N72-Y76 PolarHBondContact O-N 3.17Å; V74-Y76 PolarHBondContact O-N 2.75Å; Y76-P78 WeakPolarHBondContact O-CD 3.38Å; Y76-P84 HydrophobicContact CD1-CB 4.48Å; Y76-P84 WeakPolarHBondContact CD1-O 3.42Å; Y76-P84 WeakPolarHBondContact O-CB 3.48Å
77D80.8Confident78.1Confident15 Ų1552.1 Ų52.18%0.0828%0.276CS..  trans-71.2118.2-179.1-172.9-22.1000111.1V74 S79 Q80 F81 S131V74-D77 PolarHBondContact O-N 3.35Å; D77-S79 PolarHBondContact O-N 2.93Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.15Å; D77-S79 PolarHBondContact OD1-N 3.41Å; D77-S79 PolarHBondContact OD1-OG 3.47Å; D77-S79 PolarHBondContact OD2-OG 3.41Å; D77-S79 VanDerWaalsContact OD2-OG 3.11Å; D77-Q80 HydrophobicContact CB-CB 4.32Å; D77-Q80 HydrophobicContact CB-CG 4.06Å; D77-Q80 PolarHBondContact O-N 3.11Å; D77-F81 PolarHBondContact O-N 3.3Å; D77-S131 VanDerWaalsContact OD2-CB 3.31Å; D77-S131 WeakPolarHBondContact OD2-CB 3.37Å; D77-S131 PolarHBondContact OD2-OG 3.02Å
78P82.6Confident78.9Confident100 Ų10052.7 Ų52.765%0.64928%0.278SS*.THydrogen-bonded Turntrans-67.3-15.3-179.728.5-35.5000113.6Y76 Q80 F81 P84Y76-P78 WeakPolarHBondContact O-CD 3.38Å; P78-Q80 VanDerWaalsContact C-N 3.28Å; P78-F81 CarbonylContact C-O 3.56Å; P78-F81 WeakPolarHBondContact CA-O 3.33Å; P78-P84 HydrophobicContact CB-CG 4.32Å
79S82.1Confident79.8Confident58 Ų5852.6 Ų52.641%0.40628%0.278SS..THydrogen-bonded Turntrans-75.2-19.7171.773.20000112.9D77D77-S79 PolarHBondContact O-N 2.93Å; D77-S79 VanDerWaalsContact OD1-CB 3.27Å; D77-S79 WeakPolarHBondContact OD1-CB 3.15Å; D77-S79 PolarHBondContact OD1-N 3.41Å; D77-S79 PolarHBondContact OD1-OG 3.47Å; D77-S79 PolarHBondContact OD2-OG 3.41Å; D77-S79 VanDerWaalsContact OD2-OG 3.11Å
80Q83.1Confident81Confident63 Ų6353 Ų5329%0.29428%0.276SS..THydrogen-bonded Turntrans-104.7-33.8-178-59.4-53.7-57.100112.3D77 P78 A104 Y125D77-Q80 HydrophobicContact CB-CB 4.32Å; D77-Q80 HydrophobicContact CB-CG 4.06Å; D77-Q80 PolarHBondContact O-N 3.11Å; P78-Q80 VanDerWaalsContact C-N 3.28Å; Q80-A104 HydrophobicContact CB-CB 3.91Å; Q80-A104 HydrophobicContact CG-CB 3.72Å; Q80-Y125 WeakPolarHBondContact CG-OH 3.35Å; Q80-Y125 PolarHBondContact OE1-OH 2.97Å
81F84.6Confident82.1Confident3 Ų353.1 Ų53.11%0.01328%0.275CS..  trans-128.5129.1-178.3-60.1-76000109.5R37 H75 D77 P78 P84 H91 F92 A104R37-F81 HydrophobicContact CG-CE2 4.49Å; R37-F81 HydrophobicContact CG-CZ 4.31Å; H75-F81 WeakPolarHBondContact O-CD2 3.36Å; D77-F81 PolarHBondContact O-N 3.3Å; P78-F81 CarbonylContact C-O 3.56Å; P78-F81 WeakPolarHBondContact CA-O 3.33Å; F81-P84 HydrophobicContact CB-CB 4.14Å; F81-P84 WeakPolarHBondContact O-CD 3.37Å; F81-H91 HydrophobicContact CD1-CB 3.83Å; F81-H91 AromaticContact CD1-CG 3.75Å; F81-H91 HydrophobicContact CE1-CB 4.27Å; F81-F92 HydrophobicContact CE1-CE2 4.41Å; F81-F92 HydrophobicContact CE1-CZ 4.03Å; F81-F92 HydrophobicContact CZ-CZ 4.44Å; F81-A104 HydrophobicContact CE2-CB 4.43Å
82L85.3Confident83.5Confident153 Ų15352.9 Ų52.980%0.80127%0.274SS*.SBendtrans-65.9-41.4-175-174.469.9000112P84 H91L82-P84 WeakPolarHBondContact O-CD 3.23Å; L82-H91 PolarHBondContact N-NE2 2.9Å
83T88.8Confident84.9Confident35 Ų3551.5 Ų51.522%0.21527%0.267CS..SBendtrans-12466.4179.455.10000110.5Q85 E86 N88 H91T83-Q85 PolarHBondContact O-N 2.68Å; T83-Q85 VanDerWaalsContact O-N 3.11Å; T83-E86 PolarHBondContact O-N 3.46Å; T83-N88 WeakPolarHBondContact OG1-CB 3.36Å; T83-N88 PolarHBondContact OG1-ND2 3.04Å; T83-H91 PolarHBondContact N-NE2 2.87Å; T83-H91 VanDerWaalsContact N-NE2 3.1Å; T83-H91 PolarHBondContact O-CE1 3.34Å; T83-H91 PolarHBondContact OG1-NE2 2.82Å
84P85.4Confident85.9Confident17 Ų1752.1 Ų52.111%0.1127%0.268CS..THydrogen-bonded Turntrans-63.4-27.7-166.723.2-30.1000113.7R37 Y76 P78 F81 L82 E86R37-P84 PolarHBondContact NH1-O 2.85Å; R37-P84 PolarHBondContact NH2-O 3.19Å; Y76-P84 HydrophobicContact CD1-CB 4.48Å; Y76-P84 WeakPolarHBondContact CD1-O 3.42Å; Y76-P84 WeakPolarHBondContact O-CB 3.48Å; P78-P84 HydrophobicContact CB-CG 4.32Å; F81-P84 HydrophobicContact CB-CB 4.14Å; F81-P84 WeakPolarHBondContact O-CD 3.37Å; L82-P84 WeakPolarHBondContact O-CD 3.23Å; P84-E86 VanDerWaalsContact C-N 3.3Å
85Q85.9Confident86.8Confident131 Ų13156.5 Ų56.561%0.61231%0.306SS*.THydrogen-bonded Turntrans-84.6-4.8179.6-59.6-57.7-34.300113.4F38 T83F38-Q85 WeakPolarHBondContact CE2-O 3.2Å; T83-Q85 PolarHBondContact O-N 2.68Å; T83-Q85 VanDerWaalsContact O-N 3.11Å
86E89.5Confident87.6Confident121 Ų12162.5 Ų62.557%0.56534%0.338SS*.SBendtrans-110.5149.8179.9-62.4177.2-168.700109.9R37 T83 P84 N88R37-E86 PolarHBondContact NH2-O 3.39Å; T83-E86 PolarHBondContact O-N 3.46Å; P84-E86 VanDerWaalsContact C-N 3.3Å; E86-N88 PolarHBondContact O-N 3.04Å
87F90.3Very high88.1Confident96 Ų9663.2 Ų63.242%0.42134%0.344SS..  trans-77.9103.5168.1-177.5-90.6000108.6V31 E34 V35 F38 P89V31-F87 HydrophobicContact CG1-CZ 4.26Å; E34-F87 HydrophobicContact CB-CD2 4.49Å; E34-F87 HydrophobicContact CB-CE2 3.91Å; E34-F87 HydrophobicContact CB-CZ 4.12Å; E34-F87 HydrophobicContact CG-CD2 3.66Å; E34-F87 HydrophobicContact CG-CE1 4.44Å; E34-F87 HydrophobicContact CG-CE2 3.57Å; E34-F87 HydrophobicContact CG-CG 4.15Å; E34-F87 HydrophobicContact CG-CZ 3.98Å; V35-F87 HydrophobicContact CB-CE2 4.48Å; V35-F87 HydrophobicContact CG2-CE2 3.7Å; V35-F87 HydrophobicContact CG2-CZ 3.96Å; F38-F87 HydrophobicContact CB-CD2 4.1Å; F38-F87 HydrophobicContact CD1-CB 4.43Å; F38-F87 HydrophobicContact CD1-CD2 4.3Å; F38-F87 HydrophobicContact CG-CB 4.47Å; F38-F87 HydrophobicContact CG-CD2 4.23Å; F87-P89 HydrophobicContact CD1-CG 4.33Å; F87-P89 HydrophobicContact CE1-CG 3.67Å; F87-P89 HydrophobicContact CZ-CG 4.22Å
88N91.7Very high88.5Confident39 Ų3965.2 Ų65.221%0.20936%0.359CS..  trans-134.996.2-175.5-17911.2000111.5E34 T83 E86 E90 H91E34-N88 PolarHBondContact OE1-N 3.29Å; T83-N88 WeakPolarHBondContact OG1-CB 3.36Å; T83-N88 PolarHBondContact OG1-ND2 3.04Å; E86-N88 PolarHBondContact O-N 3.04Å; N88-E90 PolarHBondContact O-N 2.88Å; N88-E90 VanDerWaalsContact O-N 3.07Å; N88-E90 VanDerWaalsContact OD1-CB 3.26Å; N88-E90 WeakPolarHBondContact OD1-CB 3.33Å; N88-E90 WeakPolarHBondContact OD1-CG 3.24Å; N88-E90 PolarHBondContact OD1-N 3.32Å; N88-E90 VanDerWaalsContact OD1-N 3.11Å; N88-H91 WeakPolarHBondContact O-CB 3.33Å; N88-H91 VanDerWaalsContact O-CG 3.28Å; N88-H91 PolarHBondContact O-N 3.31Å; N88-H91 VanDerWaalsContact O-N 3.13Å; N88-H91 PolarHBondContact O-ND1 3.25Å; N88-H91 VanDerWaalsContact O-ND1 3.09Å
89P92.1Very high88.9Confident11 Ų1163.5 Ų63.57%0.07134%0.341CS..G310 helixtrans-57.9-21.7177.7-2635.7000114.4Y27 A30 V31 F87 H91 F92Y27-P89 HydrophobicContact CE2-CB 4.02Å; A30-P89 HydrophobicContact CB-CB 4.4Å; V31-P89 HydrophobicContact CG2-CB 3.81Å; V31-P89 HydrophobicContact CG2-CG 3.63Å; F87-P89 HydrophobicContact CD1-CG 4.33Å; F87-P89 HydrophobicContact CE1-CG 3.67Å; F87-P89 HydrophobicContact CZ-CG 4.22Å; P89-H91 PolarHBondContact O-N 3.5Å; P89-H91 VanDerWaalsContact O-N 3.11Å; P89-F92 PolarHBondContact O-N 3.33Å
90E92.9Very high89.2Confident71 Ų7166.7 Ų66.733%0.33235%0.348SS..G310 helixtrans-64.2-15.6178.5-55.7-64.9142.100112.6R2 N88 F92 L93 Q97R2-E90 IonicContact CZ-OE1 3.5Å; R2-E90 IonicContact NH1-OE1 3.42Å; R2-E90 PolarHBondContact NH1-OE1 3.48Å; R2-E90 IonicContact NH2-OE1 3.54Å; N88-E90 PolarHBondContact O-N 2.88Å; N88-E90 VanDerWaalsContact O-N 3.07Å; N88-E90 VanDerWaalsContact OD1-CB 3.26Å; N88-E90 WeakPolarHBondContact OD1-CB 3.33Å; N88-E90 WeakPolarHBondContact OD1-CG 3.24Å; N88-E90 PolarHBondContact OD1-N 3.32Å; N88-E90 VanDerWaalsContact OD1-N 3.11Å; E90-F92 PolarHBondContact O-N 3.48Å; E90-F92 VanDerWaalsContact O-N 3.16Å; E90-L93 PolarHBondContact O-N 2.98Å; E90-Q97 PolarHBondContact OE2-NE2 2.9Å
91H91.1Very high89.1Confident29 Ų2970.2 Ų70.213%0.13436%0.362CS..G310 helixtrans-56.6-25.9169.6-70.4147.6000114.1E34 F81 L82 T83 N88 P89E34-H91 IonicContact OE1-CE1 3.6Å; E34-H91 IonicContact OE1-ND1 2.79Å; E34-H91 PolarHBondContact OE1-ND1 3.45Å; E34-H91 VanDerWaalsContact OE1-ND1 3.08Å; E34-H91 IonicContact OE2-ND1 2.97Å; E34-H91 PolarHBondContact OE2-ND1 3.28Å; F81-H91 HydrophobicContact CD1-CB 3.83Å; F81-H91 AromaticContact CD1-CG 3.75Å; F81-H91 HydrophobicContact CE1-CB 4.27Å; L82-H91 PolarHBondContact N-NE2 2.9Å; T83-H91 PolarHBondContact N-NE2 2.87Å; T83-H91 VanDerWaalsContact N-NE2 3.1Å; T83-H91 PolarHBondContact O-CE1 3.34Å; T83-H91 PolarHBondContact OG1-NE2 2.82Å; N88-H91 WeakPolarHBondContact O-CB 3.33Å; N88-H91 VanDerWaalsContact O-CG 3.28Å; N88-H91 PolarHBondContact O-N 3.31Å; N88-H91 VanDerWaalsContact O-N 3.13Å; N88-H91 PolarHBondContact O-ND1 3.25Å; N88-H91 VanDerWaalsContact O-ND1 3.09Å; P89-H91 PolarHBondContact O-N 3.5Å; P89-H91 VanDerWaalsContact O-N 3.11Å
92F92.4Very high88.7Confident0 Ų070.7 Ų70.70%037%0.366CS..G310 helixtrans-111.415.2-177.9-66.2-79.2000112.8A30 H33 E34 R37 F81 P89 E90 F99 K100 F105A30-F92 HydrophobicContact CB-CB 3.8Å; H33-F92 HydrophobicContact CB-CD1 3.86Å; H33-F92 HydrophobicContact CB-CD2 3.78Å; H33-F92 HydrophobicContact CB-CE1 3.91Å; H33-F92 HydrophobicContact CB-CE2 3.83Å; H33-F92 HydrophobicContact CB-CG 3.8Å; H33-F92 HydrophobicContact CB-CZ 3.89Å; E34-F92 HydrophobicContact CB-CD2 4.21Å; E34-F92 HydrophobicContact CB-CE2 4.23Å; E34-F92 VanDerWaalsContact OE2-CE2 3.24Å; E34-F92 WeakPolarHBondContact OE2-CE2 3.4Å; R37-F92 HydrophobicContact CB-CE2 4.44Å; R37-F92 HydrophobicContact CB-CZ 4.45Å; F81-F92 HydrophobicContact CE1-CE2 4.41Å; F81-F92 HydrophobicContact CE1-CZ 4.03Å; F81-F92 HydrophobicContact CZ-CZ 4.44Å; P89-F92 PolarHBondContact O-N 3.33Å; E90-F92 PolarHBondContact O-N 3.48Å; E90-F92 VanDerWaalsContact O-N 3.16Å; F92-F99 HydrophobicContact CB-CD2 4.35Å; F92-F99 HydrophobicContact CB-CE2 3.97Å; F92-F99 HydrophobicContact CD1-CE2 4.47Å; F92-K100 WeakPolarHBondContact CA-O 3.46Å; F92-K100 PolarHBondContact O-N 2.79Å; F92-F105 HydrophobicContact CE1-CB 3.93Å; F92-F105 HydrophobicContact CE1-CD1 4.39Å; F92-F105 AromaticContact CE1-CD2 3.94Å; F92-F105 HydrophobicContact CE1-CD2 3.94Å; F92-F105 AromaticContact CE1-CG 3.83Å; F92-F105 HydrophobicContact CE1-CG 3.83Å; F92-F105 HydrophobicContact CZ-CB 4.29Å; F92-F105 AromaticContact CZ-CD2 3.58Å; F92-F105 HydrophobicContact CZ-CD2 3.58Å; F92-F105 HydrophobicContact CZ-CE2 4.01Å; F92-F105 AromaticContact CZ-CG 3.98Å; F92-F105 HydrophobicContact CZ-CG 3.98Å
93L92.6Very high88Confident17 Ų1768.3 Ų68.39%0.08936%0.36CS..BIsolated β-bridgetrans-116.8143.6176-62.2170.9000109.8P26 Y27 A30 E90 S98P26-L93 HydrophobicContact CB-CD2 4.34Å; Y27-L93 HydrophobicContact CD2-CD1 3.75Å; Y27-L93 HydrophobicContact CE2-CD1 4.32Å; A30-L93 HydrophobicContact CB-CD1 4.25Å; A30-L93 HydrophobicContact CB-CD2 3.72Å; A30-L93 HydrophobicContact CB-CG 3.77Å; E90-L93 PolarHBondContact O-N 2.98Å; L93-S98 WeakPolarHBondContact CA-O 3.49Å
94D90.4Very high87Confident55 Ų5566.6 Ų66.629%0.29435%0.35SS..  trans-90.7-179.1170.169.817.2000112N96 Q97 S98 K100D94-N96 PolarHBondContact O-N 2.82Å; D94-N96 VanDerWaalsContact O-N 3.11Å; D94-N96 VanDerWaalsContact OD1-CA 3.31Å; D94-N96 WeakPolarHBondContact OD1-CA 3.27Å; D94-N96 WeakPolarHBondContact OD1-CB 3.23Å; D94-N96 PolarHBondContact OD1-N 3.19Å; D94-Q97 PolarHBondContact O-N 3.02Å; D94-Q97 PolarHBondContact OD1-N 2.7Å; D94-S98 PolarHBondContact N-O 2.83Å; D94-S98 WeakPolarHBondContact OD1-CB 3.37Å; D94-S98 PolarHBondContact OD1-N 3.26Å; D94-K100 HydrophobicContact CB-CB 4.33Å; D94-K100 HydrophobicContact CB-CD 4.39Å
95A89.9Confident86.3Confident103 Ų10366.3 Ų66.385%0.85135%0.347SS*.THydrogen-bonded Turntrans-59.8-22.1178.800000113.5Q97A95-Q97 VanDerWaalsContact C-N 3.32Å
96N90.3Very high85.4Confident131 Ų13161.9 Ų61.970%0.70133%0.326SS*.THydrogen-bonded Turntrans-93.610.3177.8-60.7-29.6000112.2D94 S98D94-N96 PolarHBondContact O-N 2.82Å; D94-N96 VanDerWaalsContact O-N 3.11Å; D94-N96 VanDerWaalsContact OD1-CA 3.31Å; D94-N96 WeakPolarHBondContact OD1-CA 3.27Å; D94-N96 WeakPolarHBondContact OD1-CB 3.23Å; D94-N96 PolarHBondContact OD1-N 3.19Å; N96-S98 PolarHBondContact O-N 2.81Å; N96-S98 VanDerWaalsContact O-N 3.14Å
97Q88.2Confident84.1Confident79 Ų7957.4 Ų57.437%0.36931%0.308SS..SBendtrans58.723-175.3-61.7-72-59.400113P26 E90 D94 A95P26-Q97 WeakPolarHBondContact CB-O 3.24Å; P26-Q97 WeakPolarHBondContact CG-O 3.41Å; E90-Q97 PolarHBondContact OE2-NE2 2.9Å; D94-Q97 PolarHBondContact O-N 3.02Å; D94-Q97 PolarHBondContact OD1-N 2.7Å; A95-Q97 VanDerWaalsContact C-N 3.32Å
98S90Very high82.6Confident58 Ų5860.3 Ų60.341%0.40632%0.32SS..  trans-88.8148.5172.7-64.80000109.9L93 D94 N96 K100L93-S98 WeakPolarHBondContact CA-O 3.49Å; D94-S98 PolarHBondContact N-O 2.83Å; D94-S98 WeakPolarHBondContact OD1-CB 3.37Å; D94-S98 PolarHBondContact OD1-N 3.26Å; N96-S98 PolarHBondContact O-N 2.81Å; N96-S98 VanDerWaalsContact O-N 3.14Å; S98-K100 PolarHBondContact O-N 3.32Å
99F90Very high81Confident63 Ų6359.9 Ų59.928%0.27632%0.321SS..BIsolated β-bridgetrans-64.6126.4178.8176.7-98.9000110.8P26 D29 A30 H33 F92 K101P26-F99 HydrophobicContact CB-CB 4.07Å; D29-F99 HydrophobicContact CB-CD2 3.87Å; D29-F99 HydrophobicContact CB-CE2 4.29Å; D29-F99 HydrophobicContact CB-CG 4.25Å; A30-F99 HydrophobicContact CB-CD2 4.36Å; H33-F99 HydrophobicContact CB-CE2 4.34Å; H33-F99 AromaticContact CD2-CZ 3.66Å; H33-F99 AromaticContact CE1-CE2 3.63Å; H33-F99 AromaticContact CE1-CZ 3.25Å; H33-F99 WeakPolarHBondContact CE1-CZ 3.23Å; H33-F99 AromaticContact CG-CE2 3.72Å; H33-F99 AromaticContact CG-CZ 3.78Å; H33-F99 AromaticContact ND1-CE2 3.42Å; H33-F99 WeakPolarHBondContact ND1-CE2 3.49Å; H33-F99 AromaticContact ND1-CZ 3.54Å; H33-F99 AromaticContact NE2-CZ 3.37Å; H33-F99 WeakPolarHBondContact NE2-CZ 3.37Å; F92-F99 HydrophobicContact CB-CD2 4.35Å; F92-F99 HydrophobicContact CB-CE2 3.97Å; F92-F99 HydrophobicContact CD1-CE2 4.47Å; F99-K101 HydrophobicContact CE1-CB 4.11Å; F99-K101 HydrophobicContact CZ-CB 4.37Å
100K88.6Confident79.2Confident125 Ų12562.7 Ų62.754%0.54334%0.344SS..  trans-124.9115.5177.4178.9-173.6171.4-170.30109.5F92 D94 S98 S102F92-K100 WeakPolarHBondContact CA-O 3.46Å; F92-K100 PolarHBondContact O-N 2.79Å; D94-K100 HydrophobicContact CB-CB 4.33Å; D94-K100 HydrophobicContact CB-CD 4.39Å; S98-K100 PolarHBondContact O-N 3.32Å; K100-S102 PolarHBondContact O-N 2.81Å
101K80.4Confident76.9Confident137 Ų13762 Ų6260%0.59636%0.357SS*.  trans-70.8126.1173.5-168.1175.6-178.6-178.70110.3F99F99-K101 HydrophobicContact CE1-CB 4.11Å; F99-K101 HydrophobicContact CZ-CB 4.37Å
102S77.4Confident74.5Confident13 Ų1369.8 Ų69.89%0.09139%0.393CS..  trans-73.1130.3169.61780000110.1K100 A104 F105K100-S102 PolarHBondContact O-N 2.81Å; S102-A104 PolarHBondContact O-N 2.98Å; S102-A104 PolarHBondContact OG-N 3.2Å; S102-F105 VanDerWaalsContact O-CB 3.29Å; S102-F105 WeakPolarHBondContact O-CB 3.31Å; S102-F105 PolarHBondContact O-N 3.44Å
103P69.6Low72.3Confident103 Ų10373.1 Ų73.167%0.66943%0.427SS*.THydrogen-bonded Turntrans-59.3-26.9173.3-22.733.2000113.2F105P103-F105 VanDerWaalsContact C-N 3.25Å; P103-F105 PolarHBondContact O-N 2.86Å
104A68.6Low69.4Low0 Ų083.2 Ų83.20%046%0.464CS..THydrogen-bonded Turntrans-76.5-11.5177.900000113.2V74 Q80 F81 S102 M106 Y125V74-A104 HydrophobicContact CG1-CB 3.64Å; V74-A104 VanDerWaalsContact CG1-O 3.26Å; V74-A104 WeakPolarHBondContact CG1-O 3.27Å; Q80-A104 HydrophobicContact CB-CB 3.91Å; Q80-A104 HydrophobicContact CG-CB 3.72Å; F81-A104 HydrophobicContact CE2-CB 4.43Å; S102-A104 PolarHBondContact O-N 2.98Å; S102-A104 PolarHBondContact OG-N 3.2Å; A104-M106 PolarHBondContact O-N 3.36Å; A104-Y125 HydrophobicContact CB-CE2 4.21Å
105F70.9Confident66.8Low11 Ų1188 Ų885%0.04849%0.49CS..  trans-81.4104-178.4-177.3-107.5000111.4H33 Q36 R37 F92 S102 P103 P107H33-F105 HydrophobicContact CB-CE1 4.47Å; H33-F105 HydrophobicContact CB-CZ 4.17Å; H33-F105 AromaticContact CD2-CD1 3.71Å; H33-F105 AromaticContact CD2-CE1 3.2Å; H33-F105 WeakPolarHBondContact CD2-CE1 3.36Å; H33-F105 AromaticContact CD2-CZ 3.74Å; H33-F105 AromaticContact NE2-CE1 3.97Å; H33-F105 WeakPolarHBondContact O-CE2 3.34Å; Q36-F105 HydrophobicContact CB-CE2 3.93Å; Q36-F105 HydrophobicContact CB-CZ 3.64Å; Q36-F105 VanDerWaalsContact OE1-CZ 3.25Å; R37-F105 HydrophobicContact CB-CD2 4.32Å; R37-F105 HydrophobicContact CB-CE2 4.1Å; F92-F105 HydrophobicContact CE1-CB 3.93Å; F92-F105 HydrophobicContact CE1-CD1 4.39Å; F92-F105 AromaticContact CE1-CD2 3.94Å; F92-F105 HydrophobicContact CE1-CD2 3.94Å; F92-F105 AromaticContact CE1-CG 3.83Å; F92-F105 HydrophobicContact CE1-CG 3.83Å; F92-F105 HydrophobicContact CZ-CB 4.29Å; F92-F105 AromaticContact CZ-CD2 3.58Å; F92-F105 HydrophobicContact CZ-CD2 3.58Å; F92-F105 HydrophobicContact CZ-CE2 4.01Å; F92-F105 AromaticContact CZ-CG 3.98Å; F92-F105 HydrophobicContact CZ-CG 3.98Å; S102-F105 VanDerWaalsContact O-CB 3.29Å; S102-F105 WeakPolarHBondContact O-CB 3.31Å; S102-F105 PolarHBondContact O-N 3.44Å; P103-F105 VanDerWaalsContact C-N 3.25Å; P103-F105 PolarHBondContact O-N 2.86Å; F105-P107 HydrophobicContact CD1-CG 4.09Å; F105-P107 HydrophobicContact CE1-CB 4.37Å; F105-P107 HydrophobicContact CE1-CG 3.42Å; F105-P107 VanDerWaalsContact CE1-CG 3.42Å; F105-P107 HydrophobicContact CE2-CB 4.33Å; F105-P107 HydrophobicContact CE2-CG 4.19Å; F105-P107 HydrophobicContact CZ-CB 3.97Å; F105-P107 HydrophobicContact CZ-CG 3.51Å
106M67Low64Low37 Ų3791.6 Ų91.618%0.18249%0.489CS..  trans-130.263.4-178-65.5-175.6-74.400111.4L71 A104 F108 S109 A110 Y125L71-M106 HydrophobicContact CD2-CB 4.5Å; A104-M106 PolarHBondContact O-N 3.36Å; M106-F108 PolarHBondContact O-N 2.98Å; M106-S109 PolarHBondContact O-N 3.32Å; M106-S109 VanDerWaalsContact O-N 3.14Å; M106-A110 HydrophobicContact SD-CB 3.85Å; M106-Y125 HydrophobicContact CE-CD1 4.08Å; M106-Y125 HydrophobicContact CE-CG 4.25Å
107P60.7Low61.1Low27 Ų2790.2 Ų90.218%0.17549%0.489CS..THydrogen-bonded Turntrans-62.6-20.2-176.828.9-38.8000113.4Q36 F105Q36-P107 HydrophobicContact CB-CB 4.36Å; F105-P107 HydrophobicContact CD1-CG 4.09Å; F105-P107 HydrophobicContact CE1-CB 4.37Å; F105-P107 HydrophobicContact CE1-CG 3.42Å; F105-P107 VanDerWaalsContact CE1-CG 3.42Å; F105-P107 HydrophobicContact CE2-CB 4.33Å; F105-P107 HydrophobicContact CE2-CG 4.19Å; F105-P107 HydrophobicContact CZ-CB 3.97Å; F105-P107 HydrophobicContact CZ-CG 3.51Å
108F59.6Low58.6Low157 Ų15793.6 Ų93.669%0.68951%0.509SS*.THydrogen-bonded Turntrans-123.524.2179.6-54.7-65.9000112.6M106M106-F108 PolarHBondContact O-N 2.98Å
109S57.5Low55.6Low31 Ų3196.3 Ų96.322%0.21753%0.528CS..  trans62.1170-174.7-162.80000114.4N45 M106N45-S109 VanDerWaalsContact ND2-CB 3.27Å; N45-S109 WeakPolarHBondContact ND2-CB 3.4Å; N45-S109 PolarHBondContact ND2-OG 2.97Å; M106-S109 PolarHBondContact O-N 3.32Å; M106-S109 VanDerWaalsContact O-N 3.14Å
110A54.2Low52.6Low69 Ų6995.9 Ų95.957%0.5754%0.541SS*.SBendtrans-98.778.5170.600000108.4M106M106-A110 HydrophobicContact SD-CB 3.85Å
111G45.1Very low49.7Very low57 Ų5796.2 Ų96.259%0.58856%0.556SS**  trans-126.9129.9179.900000111.3G113G111-G113 PolarHBondContact O-N 3.28Å
112E41.1Very low47.6Very low193 Ų19395.6 Ų95.690%0.90256%0.558SS**  trans-71.594.6171.2-162.7163.2-161.100108.5R114E112-R114 VanDerWaalsContact C-N 3.34Å; E112-R114 PolarHBondContact O-N 2.76Å
113G46.2Very low45.2Very low69 Ų69100.4 Ų100.471%0.71159%0.592SS**  trans-73.186.8173.500000110.2G111G111-G113 PolarHBondContact O-N 3.28Å
114R30.6Very low43.4Very low230 Ų230100 Ų10087%0.86859%0.588SS**SBendtrans-173.2145.4153.3-104.7171.8-87.2179.2-4.1110.9E112E112-R114 VanDerWaalsContact C-N 3.34Å; E112-R114 PolarHBondContact O-N 2.76Å
115N36.2Very low41.9Very low156 Ų156102.9 Ų102.983%0.83460%0.599SS**SBendtrans-40.3145.6172.4-74.3-37.2000113.5
116Q32.2Very low40.3Very low178 Ų178109.1 Ų109.183%0.83263%0.631SS**SBendtrans104.7117.1167.1-59.3177.420.600116.2
117S28.5Very low38.9Very low102 Ų102108.1 Ų108.171%0.71363%0.628SS**  trans35.7109148.832.70000118.7S119S117-S119 PolarHBondContact O-N 2.6Å
118L35.9Very low37.7Very low149 Ų149112 Ų11278%0.7864%0.643SS**  trans-53.1100.7165.8-67.6163.2000111.7T51T51-L118 HydrophobicContact CG2-CD1 4.41Å
119S27.3Very low36.4Very low116 Ų116110 Ų11081%0.81165%0.646SS**  trans-143.826.216770.90000114.7S117S117-S119 PolarHBondContact O-N 2.6Å
120G27.8Very low35.3Very low53 Ų53115.2 Ų115.255%0.54667%0.672SS.*SBendtrans-126.7146.7174.600000112.7I122G120-I122 PolarHBondContact O-N 3.48Å
121P27.6Very low34.4Very low133 Ų133112.4 Ų112.486%0.86465%0.648SS**  trans-67.9115.4177.827.5-30.8000109.4S123P121-S123 PolarHBondContact O-N 2.9Å; P121-S123 VanDerWaalsContact O-N 3.09Å
122I35.2Very low33.9Very low124 Ų124114.3 Ų114.364%0.63665%0.648SS**  trans-49.2116.3171.5-65.2165.6000107.6G120 T124G120-I122 PolarHBondContact O-N 3.48Å; I122-T124 PolarHBondContact O-N 3.18Å; I122-T124 PolarHBondContact O-OG1 3.06Å
123S26.8Very low33.6Very low113 Ų113107.5 Ų107.579%0.7962%0.621SS**  trans-63.592.8170.5-168.90000106.8P121 Y125P121-S123 PolarHBondContact O-N 2.9Å; P121-S123 VanDerWaalsContact O-N 3.09Å; S123-Y125 PolarHBondContact O-N 2.83Å
124T33Very low33.2Very low96 Ų96110.2 Ų110.259%0.58962%0.615SS**  trans-86.7105.3-170-38.50000105.6I122 I126I122-T124 PolarHBondContact O-N 3.18Å; I122-T124 PolarHBondContact O-OG1 3.06Å; T124-I126 PolarHBondContact O-N 3.16Å; T124-I126 VanDerWaalsContact O-N 3.12Å
125Y37.4Very low33.6Very low60 Ų60102.4 Ų102.424%0.23559%0.59CS.*  trans-56118.3161.2174.7-100000106.6V74 Q80 A104 M106 S123 P127V74-Y125 HydrophobicContact CG1-CE1 3.96Å; V74-Y125 HydrophobicContact CG2-CE1 4.24Å; Q80-Y125 WeakPolarHBondContact CG-OH 3.35Å; Q80-Y125 PolarHBondContact OE1-OH 2.97Å; A104-Y125 HydrophobicContact CB-CE2 4.21Å; M106-Y125 HydrophobicContact CE-CD1 4.08Å; M106-Y125 HydrophobicContact CE-CG 4.25Å; S123-Y125 PolarHBondContact O-N 2.83Å; Y125-P127 HydrophobicContact CD1-CG 4.36Å; Y125-P127 HydrophobicContact CE1-CB 4.29Å; Y125-P127 HydrophobicContact CE1-CG 4.42Å; Y125-P127 VanDerWaalsContact O-CD 3.24Å; Y125-P127 WeakPolarHBondContact O-CD 3.35Å
126I35.9Very low33.7Very low142 Ų14298.6 Ų98.673%0.72857%0.569SS**  trans-90.4105.9178.2-59176.3000106.2T124T124-I126 PolarHBondContact O-N 3.16Å; T124-I126 VanDerWaalsContact O-N 3.12Å
127P37.4Very low33.7Very low16 Ų1693.3 Ų93.310%0.10455%0.552CS.*  trans-66149.1174-7.822.5000110Y125 C133Y125-P127 HydrophobicContact CD1-CG 4.36Å; Y125-P127 HydrophobicContact CE1-CB 4.29Å; Y125-P127 HydrophobicContact CE1-CG 4.42Å; Y125-P127 VanDerWaalsContact O-CD 3.24Å; Y125-P127 WeakPolarHBondContact O-CD 3.35Å; P127-C133 WeakPolarHBondContact CG-SG 3.4Å
128H35.9Very low34.1Very low107 Ų10793.3 Ų93.350%0.49554%0.544SS..  trans-55.4151.1173.9-141.8-85.5000110.1N130 S131H128-N130 PolarHBondContact O-N 3.35Å; H128-S131 WeakPolarHBondContact CB-OG 3.48Å; H128-S131 PolarHBondContact N-OG 2.83Å; H128-S131 WeakPolarHBondContact O-CB 3.47Å; H128-S131 PolarHBondContact O-N 2.86Å; H128-S131 PolarHBondContact O-OG 3.44Å
129P33Very low33.8Very low115 Ų11593.3 Ų93.375%0.74754%0.544SS*.THydrogen-bonded Turntrans-53-20.2178.710.9-28.2000115.8
130N33.9Very low33.9Very low142 Ų14293.4 Ų93.476%0.75954%0.541SS*.THydrogen-bonded Turntrans-97.7-3.8176.6-67.9-6.5000113.8H128 T132H128-N130 PolarHBondContact O-N 3.35Å; N130-T132 PolarHBondContact O-N 3.39Å
131S35.3Very low34.1Very low10 Ų1096.4 Ų96.47%0.0755%0.554CS.*SBendtrans-81.594.7172.8-35.20000107.4D77 H128 C133D77-S131 VanDerWaalsContact OD2-CB 3.31Å; D77-S131 WeakPolarHBondContact OD2-CB 3.37Å; D77-S131 PolarHBondContact OD2-OG 3.02Å; H128-S131 WeakPolarHBondContact CB-OG 3.48Å; H128-S131 PolarHBondContact N-OG 2.83Å; H128-S131 WeakPolarHBondContact O-CB 3.47Å; H128-S131 PolarHBondContact O-N 2.86Å; H128-S131 PolarHBondContact O-OG 3.44Å; S131-C133 VanDerWaalsContact C-N 3.31Å; S131-C133 PolarHBondContact O-N 3.03Å
132T34.2Very low34.3Very low97 Ų9796.5 Ų96.560%0.59555%0.552SS**  trans-66.588.1179.8-33.80000109.4N130 Q134N130-T132 PolarHBondContact O-N 3.39Å; T132-Q134 HydrophobicContact CG2-CG 4.07Å; T132-Q134 PolarHBondContact O-N 3.2Å
133C35.8Very low34Very low50 Ų5099.5 Ų99.534%0.33856%0.563SS.*  trans-64.791.3163-80.90000107.7P127 S131 I135P127-C133 WeakPolarHBondContact CG-SG 3.4Å; S131-C133 VanDerWaalsContact C-N 3.31Å; S131-C133 PolarHBondContact O-N 3.03Å; C133-I135 PolarHBondContact O-N 3.49Å
134Q36.9Very low34Very low126 Ų12699.4 Ų99.459%0.58956%0.562SS**  trans-72.697.4167.6-69.1-174.7-0.200107.3L70 T132 L136L70-Q134 HydrophobicContact CD1-CB 4.06Å; L70-Q134 WeakPolarHBondContact CD1-O 3.31Å; T132-Q134 HydrophobicContact CG2-CG 4.07Å; T132-Q134 PolarHBondContact O-N 3.2Å; Q134-L136 PolarHBondContact O-N 3.34Å; Q134-L136 VanDerWaalsContact O-N 3.15Å
135I38.3Very low34Very low66 Ų66103.5 Ų103.534%0.33858%0.575SS.*  trans-72.5100.1163-65173.3000105.4F56 V67 C133 S137F56-I135 HydrophobicContact CD1-CD1 3.47Å; F56-I135 VanDerWaalsContact CD1-CD1 3.47Å; F56-I135 HydrophobicContact CE1-CD1 3.38Å; F56-I135 HydrophobicContact CG-CD1 4.49Å; F56-I135 HydrophobicContact CZ-CD1 4.34Å; V67-I135 HydrophobicContact CG1-CG2 4.28Å; C133-I135 PolarHBondContact O-N 3.49Å; I135-S137 PolarHBondContact O-N 3.11Å; I135-S137 VanDerWaalsContact O-N 3.15Å
136L39.9Very low33.3Very low76 Ų76107.5 Ų107.540%0.39860%0.6SS.*EExtended strand (participates in β ladder)trans-78.296.8169.6-168.871.1000107.5Q134 L138Q134-L136 PolarHBondContact O-N 3.34Å; Q134-L136 VanDerWaalsContact O-N 3.15Å; L136-L138 HydrophobicContact CD2-CD2 4.41Å; L136-L138 PolarHBondContact O-N 3.11Å
137S31.9Very low32.6Very low66 Ų66110.6 Ų110.646%0.46260%0.602SS.*EExtended strand (participates in β ladder)trans-73.9111.1166.746.50000108.5I135 L139I135-S137 PolarHBondContact O-N 3.11Å; I135-S137 VanDerWaalsContact O-N 3.15Å; S137-L139 PolarHBondContact O-N 3.07Å; S137-L139 VanDerWaalsContact O-N 3.15Å
138L36.5Very low32.1Very low103 Ų103118.5 Ų118.554%0.53964%0.64SS.*  trans-75103167.4-69.2169.4000107.1I68 L136I68-L138 HydrophobicContact CD1-CD1 3.75Å; L136-L138 HydrophobicContact CD2-CD2 4.41Å; L136-L138 PolarHBondContact O-N 3.11Å
139L30.2Very low31.8Very low149 Ų149121.1 Ų121.178%0.7865%0.652SS**  trans-63.5146.6173.2-76.8165.6000110.2S137 S141S137-L139 PolarHBondContact O-N 3.07Å; S137-L139 VanDerWaalsContact O-N 3.15Å; L139-S141 PolarHBondContact O-N 3.09Å
140P28.4Very low31.5Very low118 Ų118126.7 Ų126.777%0.76666%0.658SS**  trans-64133.4177-11.225.6000110T142P140-T142 PolarHBondContact O-N 3.11Å
141S33.4Very low31.1Very low115 Ų115126 Ų12680%0.80465%0.654SS**  trans-58.3114.1-177.253.70000113.6L139L139-S141 PolarHBondContact O-N 3.09Å
142T30.8Very low30.9Very low136 Ų136133.4 Ų133.483%0.83469%0.692SS**  trans-146.3115143.646.50000110.4P140P140-T142 PolarHBondContact O-N 3.11Å
143H28.6Very low30.6Very low186 Ų186137.3 Ų137.386%0.86170%0.703SS**SBendtrans70.8116.4162.9-93.75.8000121.2
144S26.7Very low30.4Very low111 Ų111137 Ų13778%0.77670%0.702SS**  trans73.2125.1142.1-54.60000118.9
145Q32.6Very low29.9Very low182 Ų182136.2 Ų136.285%0.8571%0.71SS**  trans-54.9152.9-173.6-58.3-172.8-14.500114.4
146L23.7Very low29.5Very low145 Ų145137.1 Ų137.176%0.75972%0.722SS**  176.4130.8124.7-94.6151.7000112.6
147W22Very low29.1Very low206 Ų206139.9 Ų139.978%0.7873%0.733SS**  trans77.689.4163.2-56.7104.4000120.9H149W147-H149 HydrophobicContact CE3-CB 4.17Å; W147-H149 HydrophobicContact CZ3-CB 4.22Å
148M25.3Very low29.1Very low183 Ų183143.5 Ų143.590%0.90175%0.746SS**  trans-130.576.2132.6-95.6-174.3170.700108.5
149H30Very low28.5Very low162 Ų162143.4 Ų143.475%0.7575%0.753SS**  trans-97100.5158.3-119.2-75.4000107.1W147W147-H149 HydrophobicContact CE3-CB 4.17Å; W147-H149 HydrophobicContact CZ3-CB 4.22Å
150R26.8Very low28.5Very low231 Ų231139.6 Ų139.687%0.87274%0.739SS**  trans-154.889.4154-127.4179.8-172.1-172.42.5108.8
151D25.9Very low28.9Very low127 Ų127139.3 Ų139.368%0.67972%0.723SS**  trans41.579.9146-54.5-38.1000117.6H153D151-H153 PolarHBondContact O-N 3.13Å
152I30.4Very low28.6Very low167 Ų167143.9 Ų143.986%0.85672%0.723SS**  trans-73.181.4148.8-61.6167.7000106.6
153H27.8Very low28.3Very low179 Ų179144 Ų14483%0.82971%0.714SS**  trans-94.789.7165.9-112.622.5000108.8D151D151-H153 PolarHBondContact O-N 3.13Å
154S31.5Very low28.3Very low44 Ų44139 Ų13931%0.30870%0.696SS.*  trans174.970.5146-174.70000110.1S156S154-S156 PolarHBondContact O-N 3.34Å; S154-S156 VanDerWaalsContact O-N 3.16Å; S154-S156 PolarHBondContact OG-OG 3.1Å
155S28.1Very low28.4Very low109 Ų109136 Ų13676%0.76267%0.673SS**THydrogen-bonded Turntrans-66-0.216333.70000112.8
156S28.5Very low28Very low85 Ų85130.8 Ų130.859%0.59465%0.654SS**THydrogen-bonded Turntrans-85.6-21.8177.2510000113.9S154S154-S156 PolarHBondContact O-N 3.34Å; S154-S156 VanDerWaalsContact O-N 3.16Å; S154-S156 PolarHBondContact OG-OG 3.1Å
157Q32Very low28Very low134 Ų134132 Ų13263%0.62665%0.653SS**Hα-helixtrans-72.9-35.2178.7-82.5-178.1-18.100113.3C159 S160 Y161Q157-C159 VanDerWaalsContact C-N 3.3Å; Q157-C159 PolarHBondContact O-N 3.39Å; Q157-S160 PolarHBondContact O-N 3.32Å; Q157-Y161 PolarHBondContact O-N 3.08Å
158L31.1Very low28.4Very low142 Ų142128.4 Ų128.474%0.74365%0.648SS**Hα-helixtrans-67.9-28178.2-71.4168.3000113Y161L158-Y161 WeakPolarHBondContact O-CB 3.22Å
159C25.1Very low28.6Very low100 Ų100125.7 Ų125.768%0.67664%0.636SS**Hα-helixtrans-76.9-32.4178.8-1640000112.5Q157 Y161Q157-C159 VanDerWaalsContact C-N 3.3Å; Q157-C159 PolarHBondContact O-N 3.39Å; C159-Y161 VanDerWaalsContact C-N 3.34Å
160S29.8Very low28.5Very low69 Ų69123 Ų12348%0.48363%0.631SS.*Hα-helixtrans-71.7-29.7175.1-167.60000112.6Q157 R162 Q163 V164Q157-S160 PolarHBondContact O-N 3.32Å; S160-R162 PolarHBondContact O-N 3.25Å; S160-Q163 PolarHBondContact O-N 2.96Å; S160-V164 PolarHBondContact O-N 3.11Å
161Y36.5Very low28.6Very low113 Ų113121.2 Ų121.244%0.44363%0.629SS.*Hα-helixtrans-59.6-37.8-176.7-172.7-106.8000114.2Q157 L158 C159 Q163 V165Q157-Y161 PolarHBondContact O-N 3.08Å; L158-Y161 WeakPolarHBondContact O-CB 3.22Å; C159-Y161 VanDerWaalsContact C-N 3.34Å; Y161-Q163 PolarHBondContact O-N 2.88Å; Y161-V165 HydrophobicContact CD2-CG2 3.91Å; Y161-V165 HydrophobicContact CE1-CG2 4.34Å; Y161-V165 HydrophobicContact CE2-CG2 3.63Å; Y161-V165 HydrophobicContact CG-CG2 4.38Å; Y161-V165 WeakPolarHBondContact O-CG2 3.45Å; Y161-V165 PolarHBondContact O-N 3.14Å
162R27.4Very low28.9Very low211 Ų211127 Ų12780%0.79665%0.652SS**Hα-helixtrans-69.5-19.4178.2-146.2179.6-169.5-111.72.7112.8S160 T166S160-R162 PolarHBondContact O-N 3.25Å; R162-T166 WeakPolarHBondContact O-CB 3.43Å; R162-T166 PolarHBondContact O-OG1 2.86Å
163Q23.6Very low28.8Very low139 Ų139125.1 Ų125.165%0.6564%0.642SS**Hα-helixtrans-92.7-34.5-179.6-64.4-163.28.100113.3S160 Y161 K167S160-Q163 PolarHBondContact O-N 2.96Å; Y161-Q163 PolarHBondContact O-N 2.88Å; Q163-K167 PolarHBondContact O-N 3.11Å
164V28.9Very low28.9Very low79 Ų79122.2 Ų122.248%0.47963%0.632SS.*Hα-helixtrans-78.8-45.5-177.8-179.40000111.3S160 T166 K167 I168S160-V164 PolarHBondContact O-N 3.11Å; V164-T166 PolarHBondContact O-N 3.18Å; V164-K167 PolarHBondContact O-N 3.18Å; V164-I168 HydrophobicContact CG1-CD1 4.17Å; V164-I168 PolarHBondContact O-N 3.48Å
165V29.6Very low28.7Very low49 Ų49126.6 Ų126.630%0.29765%0.65SS.*Hα-helixtrans-67.9-38.3-178.7178.70000111.5Y161 K167 I168 L169Y161-V165 HydrophobicContact CD2-CG2 3.91Å; Y161-V165 HydrophobicContact CE1-CG2 4.34Å; Y161-V165 HydrophobicContact CE2-CG2 3.63Å; Y161-V165 HydrophobicContact CG-CG2 4.38Å; Y161-V165 WeakPolarHBondContact O-CG2 3.45Å; Y161-V165 PolarHBondContact O-N 3.14Å; V165-K167 VanDerWaalsContact C-N 3.31Å; V165-K167 PolarHBondContact O-N 2.91Å; V165-I168 PolarHBondContact O-N 2.95Å; V165-L169 HydrophobicContact CG1-CD1 3.57Å; V165-L169 HydrophobicContact CG1-CG 4.47Å; V165-L169 WeakPolarHBondContact O-CB 3.26Å; V165-L169 PolarHBondContact O-N 2.74Å
166T23.4Very low28.8Very low72 Ų72127.6 Ų127.644%0.44264%0.644SS.*Hα-helixtrans-70.1-27179.1-44.50000112.4R162 V164 V170R162-T166 WeakPolarHBondContact O-CB 3.43Å; R162-T166 PolarHBondContact O-OG1 2.86Å; V164-T166 PolarHBondContact O-N 3.18Å; T166-V170 HydrophobicContact CG2-CB 4.23Å; T166-V170 HydrophobicContact CG2-CG2 3.7Å; T166-V170 VanDerWaalsContact O-CB 3.3Å; T166-V170 WeakPolarHBondContact O-CB 3.49Å; T166-V170 PolarHBondContact O-N 3.07Å
167K24.9Very low28.8Very low171 Ų171130.3 Ų130.374%0.74365%0.647SS**Hα-helixtrans-78.2-24.3174.7-80-174.5178.3179.80113.7Q163 V164 V165Q163-K167 PolarHBondContact O-N 3.11Å; V164-K167 PolarHBondContact O-N 3.18Å; V165-K167 VanDerWaalsContact C-N 3.31Å; V165-K167 PolarHBondContact O-N 2.91Å
168I30.4Very low28.6Very low131 Ų131130 Ų13067%0.67265%0.648SS**Hα-helixtrans-93.8-28.9-179.7-63.5174.1000111.6V164 V165V164-I168 HydrophobicContact CG1-CD1 4.17Å; V164-I168 PolarHBondContact O-N 3.48Å; V165-I168 PolarHBondContact O-N 2.95Å
169L29.2Very low28.4Very low125 Ų125129.1 Ų129.165%0.65464%0.642SS**Hα-helixtrans-105.8-6.7-176.2-70.2170000115.6V165V165-L169 HydrophobicContact CG1-CD1 3.57Å; V165-L169 HydrophobicContact CG1-CG 4.47Å; V165-L169 WeakPolarHBondContact O-CB 3.26Å; V165-L169 PolarHBondContact O-N 2.74Å
170V26.7Very low28.7Very low105 Ų105131.4 Ų131.464%0.63664%0.639SS**SBendtrans-116.721.2-178.6-165.30000113.4T166T166-V170 HydrophobicContact CG2-CB 4.23Å; T166-V170 HydrophobicContact CG2-CG2 3.7Å; T166-V170 VanDerWaalsContact O-CB 3.3Å; T166-V170 WeakPolarHBondContact O-CB 3.49Å; T166-V170 PolarHBondContact O-N 3.07Å
171K29.1Very low28.6Very low194 Ų194136.6 Ų136.684%0.84365%0.652SS**  trans-122.668.2158.4-83.3-168174.7-171.20109.6
172Q33.2Very low27.9Very low250 Ų250138.7 Ų138.7100%1.16867%0.671SS**  trans-109.80149.2-70.4-157.3-4.600107.9

Retrieved 172 of 172 residues in 28.5 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).