A0A077ZG17_TRITR Loading...

Peptide deformylase

Removes the formyl group from the N-terminal Met of newly synthesized proteins.

AlphaFold DB , UniProt , Accession A0A077ZG17, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 187 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
1M90Very high96.8Very high128 Ų12860.2 Ų60.263%0.63133%0.334SS*.  0119.50179.9-173.1-67.800106.3E36 L53M1-E36 VanDerWaalsContact CA-OE1 3.22Å; M1-E36 WeakPolarHBondContact CA-OE1 3.23Å; M1-E36 PolarHBondContact N-OE1 3.19Å; M1-E36 PolarHBondContact N-OE2 2.87Å; M1-L53 HydrophobicContact SD-CD1 3.96Å
2I97Very high97Very high12 Ų1260.9 Ų60.96%0.06233%0.333CS..  trans-74.4143177.7-65.8155.4000110.1D6 I7 E36 M37 F40 L66I2-D6 HydrophobicContact CG2-CB 4.26Å; I2-I7 HydrophobicContact CG2-CG1 4.5Å; I2-E36 HydrophobicContact CD1-CB 3.75Å; I2-E36 HydrophobicContact CG1-CB 4.27Å; I2-M37 HydrophobicContact CD1-CB 4.4Å; I2-M37 HydrophobicContact CD1-CG 3.82Å; I2-F40 HydrophobicContact CB-CB 4.11Å; I2-F40 HydrophobicContact CB-CD2 4.24Å; I2-F40 HydrophobicContact CB-CG 4.45Å; I2-F40 HydrophobicContact CG2-CB 4.16Å; I2-F40 HydrophobicContact CG2-CD2 3.65Å; I2-F40 HydrophobicContact CG2-CE2 4.31Å; I2-F40 HydrophobicContact CG2-CG 3.99Å; I2-L66 HydrophobicContact CD1-CD1 3.5Å; I2-L66 VanDerWaalsContact CD1-CD1 3.5Å; I2-L66 HydrophobicContact CD1-CD2 4.29Å; I2-L66 HydrophobicContact CG1-CD1 4.2Å; I2-L66 HydrophobicContact CG1-CD2 4.25Å; I2-L66 HydrophobicContact CG2-CD2 3.64Å
3T96.3Very high97.1Very high40 Ų4063.4 Ų63.425%0.24535%0.354CS..  trans-129-176.2175.867.90000110.1D5 D6T3-D5 VanDerWaalsContact C-N 3.25Å; T3-D5 PolarHBondContact O-N 2.83Å; T3-D5 PolarHBondContact OG1-N 3.26Å; T3-D6 PolarHBondContact N-OD2 2.93Å; T3-D6 PolarHBondContact OG1-OD2 2.88Å
4M97.3Very high97.1Very high16 Ų1660.5 Ų60.58%0.07934%0.339CS..SBendtrans-68.6-20.7172.3-69.5-56.4-52.200113.9I7 R9 F40 N54 L55 R56 L115M4-I7 HydrophobicContact CE-CD1 4.35Å; M4-I7 HydrophobicContact SD-CD1 4.12Å; M4-R9 PolarHBondContact O-NH1 2.9Å; M4-F40 HydrophobicContact SD-CE2 4.19Å; M4-F40 HydrophobicContact SD-CZ 3.9Å; M4-N54 WeakPolarHBondContact CG-O 3.41Å; M4-L55 HydrophobicContact CG-CD2 4.4Å; M4-R56 HydrophobicContact CE-CB 4.05Å; M4-R56 HydrophobicContact SD-CB 3.84Å; M4-R56 PolarHBondContact SD-N 3.14Å; M4-R56 VanDerWaalsContact SD-N 3.43Å; M4-L115 HydrophobicContact CE-CD2 4.47Å; M4-L115 HydrophobicContact SD-CD2 4.38Å
5D96.9Very high97.2Very high151 Ų15156.5 Ų56.581%0.80732%0.316SS*.SBendtrans-75.4-28.8-179.6-70.1-19.2000111.9T3 I7T3-D5 VanDerWaalsContact C-N 3.25Å; T3-D5 PolarHBondContact O-N 2.83Å; T3-D5 PolarHBondContact OG1-N 3.26Å; D5-I7 VanDerWaalsContact C-N 3.29Å; D5-I7 PolarHBondContact O-N 2.84Å
6D98Very high97.3Very high78 Ų7859.7 Ų59.742%0.41732%0.322SS..SBendtrans-74.1-18.1176.7-52.9-79.9000113.1I2 T3 I8 L66I2-D6 HydrophobicContact CG2-CB 4.26Å; T3-D6 PolarHBondContact N-OD2 2.93Å; T3-D6 PolarHBondContact OG1-OD2 2.88Å; D6-I8 PolarHBondContact O-N 2.81Å; D6-L66 HydrophobicContact CB-CD2 4.19Å
7I98.5Very high97.4Very high2 Ų258.3 Ų58.31%0.0132%0.32CS..SBendtrans-85.5107.3-175.6-63.4175.2000110.2I2 M4 D5 R9 F40 L61 Q65 L66 L115I2-I7 HydrophobicContact CG2-CG1 4.5Å; M4-I7 HydrophobicContact CE-CD1 4.35Å; M4-I7 HydrophobicContact SD-CD1 4.12Å; D5-I7 VanDerWaalsContact C-N 3.29Å; D5-I7 PolarHBondContact O-N 2.84Å; I7-R9 PolarHBondContact O-NH1 2.87Å; I7-F40 HydrophobicContact CD1-CE1 4.08Å; I7-F40 HydrophobicContact CD1-CE2 3.83Å; I7-F40 HydrophobicContact CD1-CZ 3.52Å; I7-L61 HydrophobicContact CD1-CD1 4.18Å; I7-L61 HydrophobicContact CG1-CD1 4.41Å; I7-Q65 CarbonylContact C-O 3.2Å; I7-Q65 VanDerWaalsContact CA-O 3.23Å; I7-Q65 WeakPolarHBondContact CA-O 3.37Å; I7-Q65 HydrophobicContact CG2-CB 4.39Å; I7-L66 HydrophobicContact CG1-CD2 3.89Å; I7-L115 HydrophobicContact CD1-CB 4.09Å; I7-L115 HydrophobicContact CD1-CD1 4.09Å; I7-L115 HydrophobicContact CG2-CB 4.11Å
8I98.5Very high97.5Very high28 Ų2860.8 Ų60.814%0.14434%0.337CS..PPolyproline II helixtrans-63.8144176.156.8166.2000111.6D6 H12 L15 P64 Q65 D67 S116D6-I8 PolarHBondContact O-N 2.81Å; I8-H12 HydrophobicContact CB-CB 4.25Å; I8-H12 HydrophobicContact CD1-CB 3.86Å; I8-H12 VanDerWaalsContact CD1-ND1 3.26Å; I8-H12 WeakPolarHBondContact CD1-ND1 3.22Å; I8-L15 HydrophobicContact CD1-CD1 4.43Å; I8-L15 HydrophobicContact CD1-CD2 4.29Å; I8-L15 HydrophobicContact CD1-CG 3.86Å; I8-L15 HydrophobicContact CG1-CD1 4.36Å; I8-L15 HydrophobicContact CG1-CD2 4.3Å; I8-L15 HydrophobicContact CG1-CG 4.16Å; I8-P64 VanDerWaalsContact CD1-O 3.22Å; I8-P64 WeakPolarHBondContact CD1-O 3.47Å; I8-Q65 WeakPolarHBondContact CG1-O 3.43Å; I8-Q65 PolarHBondContact N-O 2.91Å; I8-D67 HydrophobicContact CD1-CB 4.15Å; I8-D67 HydrophobicContact CG2-CB 3.99Å; I8-S116 WeakPolarHBondContact O-CB 3.41Å; I8-S116 PolarHBondContact O-OG 3.44Å
9R98.4Very high97.5Very high88 Ų8857.8 Ų57.833%0.33232%0.322SS..PPolyproline II helixtrans-93.6159.9-179.5-51.3-53.7-156-93.8-3111.6M4 I7 H12 L15 S116 D118M4-R9 PolarHBondContact O-NH1 2.9Å; I7-R9 PolarHBondContact O-NH1 2.87Å; R9-H12 VanDerWaalsContact O-CB 3.3Å; R9-H12 WeakPolarHBondContact O-CB 3.42Å; R9-H12 PolarHBondContact O-N 3.11Å; R9-L15 VanDerWaalsContact O-CD1 3.32Å; R9-L15 WeakPolarHBondContact O-CD1 3.45Å; R9-S116 CarbonylContact C-O 3.56Å; R9-S116 WeakPolarHBondContact CA-O 3.26Å; R9-D118 WeakPolarHBondContact CD-OD2 3.45Å; R9-D118 IonicContact CZ-OD2 3.32Å; R9-D118 IonicContact NE-OD1 2.81Å; R9-D118 IonicContact NE-OD2 2.75Å; R9-D118 PolarHBondContact NE-OD2 2.89Å; R9-D118 IonicContact NH2-OD2 3.48Å
10E97.5Very high97.6Very high49 Ų4960.4 Ų60.423%0.22934%0.335CS..THydrogen-bonded Turntrans-51.6149.1177.260.7174.8155.200113.4H12 S116 V117 R119 M166 Y168E10-H12 VanDerWaalsContact C-N 3.27Å; E10-S116 PolarHBondContact N-O 2.93Å; E10-V117 HydrophobicContact CB-CG2 4.14Å; E10-V117 HydrophobicContact CG-CG2 4.3Å; E10-R119 IonicContact OE1-CZ 3.03Å; E10-R119 IonicContact OE1-NH1 3.5Å; E10-R119 PolarHBondContact OE1-NH1 3.37Å; E10-R119 IonicContact OE1-NH2 2.71Å; E10-R119 IonicContact OE2-CZ 3.62Å; E10-R119 IonicContact OE2-NH1 3.73Å; E10-R119 PolarHBondContact OE2-NH1 2.97Å; E10-R119 IonicContact OE2-NH2 3.36Å; E10-R119 PolarHBondContact OE2-NH2 3.22Å; E10-M166 HydrophobicContact CB-CE 4.45Å; E10-Y168 WeakPolarHBondContact OE2-CE1 3.21Å; E10-Y168 PolarHBondContact OE2-OH 2.81Å
11G96.7Very high97.6Very high70 Ų7064.1 Ų64.172%0.72235%0.35SS*.THydrogen-bonded Turntrans88.6-19.3-168.800000113.7
12H98.3Very high98Very high69 Ų6958.5 Ų58.532%0.31932%0.322SS..  trans-66.5133.4168.9-158.9-94.7000111I8 R9 E10 T14 L15 D67I8-H12 HydrophobicContact CB-CB 4.25Å; I8-H12 HydrophobicContact CD1-CB 3.86Å; I8-H12 VanDerWaalsContact CD1-ND1 3.26Å; I8-H12 WeakPolarHBondContact CD1-ND1 3.22Å; R9-H12 VanDerWaalsContact O-CB 3.3Å; R9-H12 WeakPolarHBondContact O-CB 3.42Å; R9-H12 PolarHBondContact O-N 3.11Å; E10-H12 VanDerWaalsContact C-N 3.27Å; H12-T14 VanDerWaalsContact C-N 3.27Å; H12-T14 PolarHBondContact O-N 2.82Å; H12-L15 PolarHBondContact O-N 2.9Å; H12-D67 IonicContact CE1-OD1 3.32Å; H12-D67 PolarHBondContact CE1-OD1 3.02Å; H12-D67 IonicContact CE1-OD2 3.67Å; H12-D67 IonicContact ND1-OD1 2.73Å; H12-D67 PolarHBondContact ND1-OD1 3.09Å
13P98.2Very high98.1Very high93 Ų9361.5 Ų61.560%0.60434%0.343SS*.G310 helixtrans-62.6-29.5-171.322.7-34.5000114.1L15 R16 A17P13-L15 VanDerWaalsContact C-N 3.3Å; P13-L15 PolarHBondContact O-N 3.49Å; P13-R16 CarbonylContact O-C 3.55Å; P13-R16 WeakPolarHBondContact O-CA 3.38Å; P13-R16 PolarHBondContact O-N 2.76Å; P13-A17 PolarHBondContact O-N 3.08Å
14T98.4Very high98.2Very high23 Ų2363 Ų6314%0.14135%0.349CS..G310 helixtrans-64.6-31.6-178.8-53.30000113.1H12 R16 A17 P64 D67H12-T14 VanDerWaalsContact C-N 3.27Å; H12-T14 PolarHBondContact O-N 2.82Å; T14-R16 PolarHBondContact O-N 2.92Å; T14-A17 PolarHBondContact O-N 2.88Å; T14-P64 HydrophobicContact CG2-CB 4.32Å; T14-D67 WeakPolarHBondContact CB-OD1 3.44Å; T14-D67 PolarHBondContact OG1-OD1 3.31Å
15L98.6Very high98.2Very high1 Ų166.2 Ų66.21%0.00537%0.371CS..G310 helixtrans-68.1-11.6172.7-66173.3000113.3I8 R9 H12 P13 Q65 G164 M166I8-L15 HydrophobicContact CD1-CD1 4.43Å; I8-L15 HydrophobicContact CD1-CD2 4.29Å; I8-L15 HydrophobicContact CD1-CG 3.86Å; I8-L15 HydrophobicContact CG1-CD1 4.36Å; I8-L15 HydrophobicContact CG1-CD2 4.3Å; I8-L15 HydrophobicContact CG1-CG 4.16Å; R9-L15 VanDerWaalsContact O-CD1 3.32Å; R9-L15 WeakPolarHBondContact O-CD1 3.45Å; H12-L15 PolarHBondContact O-N 2.9Å; P13-L15 VanDerWaalsContact C-N 3.3Å; P13-L15 PolarHBondContact O-N 3.49Å; L15-Q65 HydrophobicContact CD2-CB 4.32Å; L15-Q65 HydrophobicContact CD2-CG 3.86Å; L15-G164 CarbonylContact O-C 3.52Å; L15-G164 WeakPolarHBondContact O-CA 3.48Å; L15-M166 HydrophobicContact CB-SD 4.11Å
16R98.6Very high98.3Very high107 Ų10759.6 Ų59.640%0.40434%0.336SS..G310 helixtrans-112.91.5178.6-61.8-53.2-165.4159.3-3.8113.3P13 T14 G164 Y168 D169P13-R16 CarbonylContact O-C 3.55Å; P13-R16 WeakPolarHBondContact O-CA 3.38Å; P13-R16 PolarHBondContact O-N 2.76Å; T14-R16 PolarHBondContact O-N 2.92Å; R16-G164 WeakPolarHBondContact CD-O 3.44Å; R16-G164 PolarHBondContact NH1-O 3.03Å; R16-Y168 PolarHBondContact NH2-OH 2.8Å; R16-Y168 VanDerWaalsContact NH2-OH 3.1Å; R16-D169 IonicContact CZ-OD1 3.12Å; R16-D169 IonicContact CZ-OD2 3.46Å; R16-D169 IonicContact NH1-OD1 2.75Å; R16-D169 PolarHBondContact NH1-OD1 2.75Å; R16-D169 IonicContact NH1-OD2 3.68Å; R16-D169 PolarHBondContact NH1-OD2 2.9Å; R16-D169 IonicContact NH2-OD1 2.8Å; R16-D169 PolarHBondContact NH2-OD1 3.26Å; R16-D169 IonicContact NH2-OD2 3.61Å; R16-D169 PolarHBondContact NH2-OD2 3.24Å
17A98.3Very high98.3Very high36 Ų3658.6 Ų58.630%0.29833%0.333SS..SBendtrans-90.7144.2175.700000111.1P13 T14 A19 G164P13-A17 PolarHBondContact O-N 3.08Å; T14-A17 PolarHBondContact O-N 2.88Å; A17-A19 PolarHBondContact O-N 2.87Å; A17-G164 WeakPolarHBondContact O-CA 3.36Å; A17-G164 PolarHBondContact O-N 2.74Å
18V98.6Very high98.3Very high103 Ų10362.8 Ų62.862%0.62437%0.367SS*.PPolyproline II helixtrans-72.6120.4164.8-179.30000107.8
19A98.6Very high98.3Very high5 Ų567.8 Ų67.84%0.04139%0.39CS..PPolyproline II helixtrans-75.3151-176.100000112.2A17 P64 R71 I162A17-A19 PolarHBondContact O-N 2.87Å; A19-P64 HydrophobicContact CB-CG 3.9Å; A19-R71 HydrophobicContact CB-CG 3.97Å; A19-R71 WeakPolarHBondContact O-CD 3.44Å; A19-R71 WeakPolarHBondContact O-CG 3.29Å; A19-I162 HydrophobicContact CB-CB 4.07Å; A19-I162 WeakPolarHBondContact CB-O 3.41Å; A19-I162 PolarHBondContact N-O 3.46Å
20N98.6Very high98.3Very high109 Ų10963.7 Ų63.758%0.58338%0.375SS*.BIsolated β-bridgetrans-80.3142.3-175.8-59.6-81.9000112.2S69 K70 R71N20-S69 PolarHBondContact N-O 3.4Å; N20-S69 PolarHBondContact ND2-O 2.94Å; N20-K70 CarbonylContact O-C 3.47Å; N20-K70 WeakPolarHBondContact O-CA 2.99Å; N20-R71 WeakPolarHBondContact O-CG 3.27Å; N20-R71 PolarHBondContact O-N 2.99Å
21E98.7Very high98.4Very high138 Ų13862.3 Ų62.365%0.64537%0.37SS*.PPolyproline II helixtrans-62.7138.9170.4-75.8-172.9165.600110.9N95E21-N95 WeakPolarHBondContact CA-OD1 3.44Å; E21-N95 HydrophobicContact CG-CB 4.5Å
22V98.7Very high98.5Very high10 Ų1063.7 Ų63.76%0.06136%0.358CS..PPolyproline II helixtrans-85.1157.2171.3-62.10000111P26 K70 I72 Y94 N95V22-P26 HydrophobicContact CG2-CB 4.46Å; V22-K70 HydrophobicContact CG1-CB 3.91Å; V22-K70 HydrophobicContact CG1-CD 4.12Å; V22-K70 HydrophobicContact CG1-CG 4.24Å; V22-I72 HydrophobicContact CG1-CD1 4.02Å; V22-I72 HydrophobicContact CG1-CG1 3.9Å; V22-Y94 HydrophobicContact CG2-CD1 4.18Å; V22-N95 PolarHBondContact N-OD1 2.96Å; V22-N95 PolarHBondContact O-ND2 3.27Å
23P98.5Very high98.5Very high76 Ų7661.4 Ų61.449%0.49435%0.348SS..PPolyproline II helixtrans-55.7156170.6-24.435.8000112.4P25 P26 T27P23-P25 CarbonylContact C-O 3.01Å; P23-P25 VanDerWaalsContact C-O 3.24Å; P23-P25 CarbonylContact O-C 3.17Å; P23-P26 WeakPolarHBondContact O-CA 3.31Å; P23-P26 VanDerWaalsContact O-N 3.13Å; P23-T27 HydrophobicContact CG-CG2 4.08Å
24I98.2Very high98.5Very high71 Ų7157 Ų5736%0.36432%0.319SS..SBendtrans-122.6115.6172-60.1-59.6000108.2F136I24-F136 HydrophobicContact CD1-CB 3.55Å; I24-F136 HydrophobicContact CD1-CD1 4.12Å; I24-F136 HydrophobicContact CD1-CD2 3.43Å; I24-F136 VanDerWaalsContact CD1-CD2 3.43Å; I24-F136 HydrophobicContact CD1-CE2 4.06Å; I24-F136 HydrophobicContact CD1-CG 3.44Å; I24-F136 VanDerWaalsContact CD1-CG 3.44Å; I24-F136 HydrophobicContact CG1-CD1 4.36Å; I24-F136 HydrophobicContact CG1-CD2 3.9Å; I24-F136 HydrophobicContact CG1-CE1 4.44Å; I24-F136 HydrophobicContact CG1-CE2 4Å; I24-F136 HydrophobicContact CG1-CG 4.07Å; I24-F136 HydrophobicContact CG1-CZ 4.26Å; I24-F136 HydrophobicContact CG2-CD1 3.74Å; I24-F136 HydrophobicContact CG2-CE1 3.87Å; I24-F136 HydrophobicContact CG2-CG 4.19Å; I24-F136 HydrophobicContact CG2-CZ 4.43Å
25P97.8Very high98.5Very high84 Ų8460.4 Ų60.455%0.54533%0.332SS..SBendcis-63.2154.4-3.329.7-36.9000112.9P23P23-P25 CarbonylContact C-O 3.01Å; P23-P25 VanDerWaalsContact C-O 3.24Å; P23-P25 CarbonylContact O-C 3.17Å
26P98.3Very high98.5Very high12 Ų1263.6 Ų63.68%0.07835%0.347CS..PPolyproline II helixtrans-60.4155.8175.425.1-33.4000111.6V22 P23 D30 V31 Y94V22-P26 HydrophobicContact CG2-CB 4.46Å; P23-P26 WeakPolarHBondContact O-CA 3.31Å; P23-P26 VanDerWaalsContact O-N 3.13Å; P26-D30 HydrophobicContact CB-CB 3.92Å; P26-V31 HydrophobicContact CB-CG2 4.12Å; P26-V31 HydrophobicContact CG-CG2 3.74Å; P26-Y94 HydrophobicContact CB-CD1 3.82Å; P26-Y94 HydrophobicContact CB-CE1 4.07Å; P26-Y94 HydrophobicContact CB-CG 4.16Å; P26-Y94 HydrophobicContact CG-CD1 4.12Å; P26-Y94 HydrophobicContact CG-CD2 4.1Å; P26-Y94 HydrophobicContact CG-CE1 4.29Å; P26-Y94 HydrophobicContact CG-CE2 4.28Å; P26-Y94 HydrophobicContact CG-CG 4.05Å
27T98.6Very high98.5Very high57 Ų5758.5 Ų58.535%0.3533%0.327SS..PPolyproline II helixtrans-71.5161.6178.570.60000111.1P23 E29 D30 V31P23-T27 HydrophobicContact CG-CG2 4.08Å; T27-E29 PolarHBondContact O-N 3.36Å; T27-D30 WeakPolarHBondContact CB-OD2 3.35Å; T27-D30 WeakPolarHBondContact CG2-OD2 3.33Å; T27-D30 PolarHBondContact N-OD2 2.86Å; T27-D30 WeakPolarHBondContact O-CB 3.43Å; T27-D30 PolarHBondContact O-N 3.21Å; T27-D30 VanDerWaalsContact O-N 3.08Å; T27-D30 PolarHBondContact OG1-N 3.01Å; T27-D30 PolarHBondContact OG1-OD2 2.82Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 3.43Å
28A98.4Very high98.5Very high89 Ų8957.9 Ų57.974%0.73632%0.319SS*.Hα-helixtrans-58.4-32.3176.200000112.7E32A28-E32 PolarHBondContact O-N 2.7Å
29E98.4Very high98.5Very high133 Ų13356.8 Ų56.862%0.62131%0.307SS*.Hα-helixtrans-67.1-45.9173.4-174.6-162.1118.400111.6T27 V31 E32 L33 K70T27-E29 PolarHBondContact O-N 3.36Å; E29-V31 VanDerWaalsContact C-N 3.3Å; E29-V31 PolarHBondContact O-N 2.92Å; E29-E32 PolarHBondContact O-N 2.62Å; E29-L33 WeakPolarHBondContact O-CB 3.36Å; E29-L33 PolarHBondContact O-N 3.42Å; E29-K70 IonicContact OE1-NZ 3.82Å; E29-K70 PolarHBondContact OE1-NZ 2.97Å
30D98.7Very high98.5Very high3 Ų356.6 Ų56.62%0.01631%0.305CS..Hα-helixtrans-61.8-39.5176.3-58.2-44.9000111.6P26 T27 G34 K70 I72 Y94P26-D30 HydrophobicContact CB-CB 3.92Å; T27-D30 WeakPolarHBondContact CB-OD2 3.35Å; T27-D30 WeakPolarHBondContact CG2-OD2 3.33Å; T27-D30 PolarHBondContact N-OD2 2.86Å; T27-D30 WeakPolarHBondContact O-CB 3.43Å; T27-D30 PolarHBondContact O-N 3.21Å; T27-D30 VanDerWaalsContact O-N 3.08Å; T27-D30 PolarHBondContact OG1-N 3.01Å; T27-D30 PolarHBondContact OG1-OD2 2.82Å; D30-G34 PolarHBondContact O-N 2.9Å; D30-K70 WeakPolarHBondContact OD1-CD 3.45Å; D30-K70 WeakPolarHBondContact OD1-CE 3.36Å; D30-K70 IonicContact OD1-NZ 3.96Å; D30-K70 PolarHBondContact OD1-NZ 2.88Å; D30-I72 HydrophobicContact CB-CD1 3.89Å; D30-Y94 HydrophobicContact CB-CE1 4.25Å; D30-Y94 WeakPolarHBondContact O-CE1 3.34Å
31V98.7Very high98.5Very high19 Ų1951.4 Ų51.412%0.11528%0.278CS..Hα-helixtrans-66.3-40.4177.8170.70000111.8P26 T27 E29 K35 Y94 E138P26-V31 HydrophobicContact CB-CG2 4.12Å; P26-V31 HydrophobicContact CG-CG2 3.74Å; T27-V31 WeakPolarHBondContact O-CG2 3.38Å; T27-V31 PolarHBondContact O-N 3.43Å; E29-V31 VanDerWaalsContact C-N 3.3Å; E29-V31 PolarHBondContact O-N 2.92Å; V31-K35 HydrophobicContact CG1-CD 4.47Å; V31-K35 WeakPolarHBondContact O-CG 3.34Å; V31-K35 PolarHBondContact O-N 3.22Å; V31-K35 VanDerWaalsContact O-N 3.14Å; V31-Y94 WeakPolarHBondContact CA-OH 3.46Å; V31-E138 HydrophobicContact CG1-CB 3.96Å; V31-E138 HydrophobicContact CG2-CB 3.84Å
32E98.6Very high98.5Very high100 Ų10048.6 Ų48.647%0.46726%0.263SS..Hα-helixtrans-70.6-43.7177.2-163.158.8-157.100111.6A28 E29 G34 K35 E36A28-E32 PolarHBondContact O-N 2.7Å; E29-E32 PolarHBondContact O-N 2.62Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 2.97Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 3.13Å; E32-K35 VanDerWaalsContact O-N 3.08Å; E32-K35 IonicContact OE2-NZ 3.61Å; E32-E36 WeakPolarHBondContact O-CG 3.47Å; E32-E36 PolarHBondContact O-N 2.93Å
33L98.7Very high98.4Very high21 Ų2148.4 Ų48.411%0.1126%0.262CS..Hα-helixtrans-54.3-46.8171.9173.560.4000111.5E29 K35 E36 M37 A63 L66 I68 I72E29-L33 WeakPolarHBondContact O-CB 3.36Å; E29-L33 PolarHBondContact O-N 3.42Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.82Å; L33-E36 PolarHBondContact O-N 3.17Å; L33-M37 HydrophobicContact CD1-CG 4.12Å; L33-M37 HydrophobicContact CD1-SD 4.03Å; L33-M37 HydrophobicContact CG-CG 4.47Å; L33-M37 HydrophobicContact CG-SD 3.86Å; L33-M37 WeakPolarHBondContact O-CB 3.21Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.41Å; L33-A63 HydrophobicContact CD2-CB 4.36Å; L33-L66 HydrophobicContact CD1-CD1 3.92Å; L33-I68 HydrophobicContact CD1-CD1 3.81Å; L33-I68 HydrophobicContact CD2-CB 4.45Å; L33-I68 HydrophobicContact CD2-CD1 3.7Å; L33-I68 HydrophobicContact CD2-CG2 3.86Å; L33-I68 HydrophobicContact CG-CD1 4.43Å; L33-I72 HydrophobicContact CD2-CD1 4.02Å
34G98.7Very high98.4Very high0 Ų045.1 Ų45.10%024%0.24CC..Hα-helixtrans-57.9-41.3175.700000113.5D30 E32 L38 V92D30-G34 PolarHBondContact O-N 2.9Å; E32-G34 VanDerWaalsContact C-N 3.3Å; E32-G34 PolarHBondContact O-N 2.97Å; G34-L38 PolarHBondContact O-N 3.08Å; G34-V92 WeakPolarHBondContact O-CG2 3.18Å
35K98.6Very high98.3Very high94 Ų9445 Ų4541%0.40924%0.238SC..Hα-helixtrans-67.2-43.6175.8-70.1166.4-171.5165.50112V31 E32 L33 M37 L38 Q39V31-K35 HydrophobicContact CG1-CD 4.47Å; V31-K35 WeakPolarHBondContact O-CG 3.34Å; V31-K35 PolarHBondContact O-N 3.22Å; V31-K35 VanDerWaalsContact O-N 3.14Å; E32-K35 WeakPolarHBondContact O-CB 3.4Å; E32-K35 PolarHBondContact O-N 3.13Å; E32-K35 VanDerWaalsContact O-N 3.08Å; E32-K35 IonicContact OE2-NZ 3.61Å; L33-K35 VanDerWaalsContact C-N 3.32Å; L33-K35 PolarHBondContact O-N 2.82Å; K35-M37 VanDerWaalsContact C-N 3.33Å; K35-M37 PolarHBondContact O-N 3.17Å; K35-L38 PolarHBondContact O-N 3Å; K35-Q39 VanDerWaalsContact O-CB 3.29Å; K35-Q39 WeakPolarHBondContact O-CB 3.39Å; K35-Q39 PolarHBondContact O-N 3.36Å
36E98.5Very high98.3Very high68 Ų6843.4 Ų43.432%0.31823%0.226SC..Hα-helixtrans-60.8-43.7175.8-65.1-136.212500111.2M1 I2 E32 L33 L38 Q39 F40M1-E36 VanDerWaalsContact CA-OE1 3.22Å; M1-E36 WeakPolarHBondContact CA-OE1 3.23Å; M1-E36 PolarHBondContact N-OE1 3.19Å; M1-E36 PolarHBondContact N-OE2 2.87Å; I2-E36 HydrophobicContact CD1-CB 3.75Å; I2-E36 HydrophobicContact CG1-CB 4.27Å; E32-E36 WeakPolarHBondContact O-CG 3.47Å; E32-E36 PolarHBondContact O-N 2.93Å; L33-E36 PolarHBondContact O-N 3.17Å; E36-L38 PolarHBondContact O-N 3.19Å; E36-Q39 PolarHBondContact O-N 2.75Å; E36-F40 PolarHBondContact O-N 2.89Å
37M98.8Very high98.1Very high0 Ų047.8 Ų47.80%025%0.254CS..Hα-helixtrans-60-47176.9-70.5166.467.100111.6I2 L33 K35 Q39 F40 L41 L61 A63 L66 I72 A74I2-M37 HydrophobicContact CD1-CB 4.4Å; I2-M37 HydrophobicContact CD1-CG 3.82Å; L33-M37 HydrophobicContact CD1-CG 4.12Å; L33-M37 HydrophobicContact CD1-SD 4.03Å; L33-M37 HydrophobicContact CG-CG 4.47Å; L33-M37 HydrophobicContact CG-SD 3.86Å; L33-M37 WeakPolarHBondContact O-CB 3.21Å; L33-M37 WeakPolarHBondContact O-CG 3.48Å; L33-M37 PolarHBondContact O-N 3.41Å; K35-M37 VanDerWaalsContact C-N 3.33Å; K35-M37 PolarHBondContact O-N 3.17Å; M37-Q39 VanDerWaalsContact C-N 3.3Å; M37-Q39 PolarHBondContact O-N 2.96Å; M37-F40 PolarHBondContact O-N 2.83Å; M37-L41 WeakPolarHBondContact O-CG 3.32Å; M37-L41 PolarHBondContact O-N 3.35Å; M37-L61 HydrophobicContact CB-CD2 4.04Å; M37-L61 HydrophobicContact CE-CG 4.33Å; M37-L61 WeakPolarHBondContact CE-O 3.12Å; M37-L61 HydrophobicContact CG-CD2 3.99Å; M37-A63 HydrophobicContact CE-CB 4.27Å; M37-A63 HydrophobicContact SD-CB 4.22Å; M37-L66 HydrophobicContact CG-CD1 3.69Å; M37-L66 HydrophobicContact SD-CD1 4.26Å; M37-I72 HydrophobicContact CE-CG2 4.39Å; M37-I72 HydrophobicContact SD-CG2 4.09Å; M37-A74 HydrophobicContact CB-CB 3.68Å; M37-A74 HydrophobicContact CE-CB 4.28Å
38L98.6Very high98.1Very high24 Ų2450 Ų5013%0.12627%0.267CS..Hα-helixtrans-67.2-31.4177-173.563.8000112.3G34 K35 E36 K42 A74 V75 H76 V92G34-L38 PolarHBondContact O-N 3.08Å; K35-L38 PolarHBondContact O-N 3Å; E36-L38 PolarHBondContact O-N 3.19Å; L38-K42 WeakPolarHBondContact O-CG 3.42Å; L38-K42 PolarHBondContact O-N 3.25Å; L38-A74 HydrophobicContact CB-CB 4.26Å; L38-V75 WeakPolarHBondContact CD1-O 3.44Å; L38-H76 HydrophobicContact CD1-CB 4.04Å; L38-V92 HydrophobicContact CB-CG2 4.07Å; L38-V92 HydrophobicContact CD2-CG2 4.3Å
39Q98.3Very high98Very high79 Ų7949 Ų4937%0.36925%0.246SC..Hα-helixtrans-74.3-35.3177-169.656.859.400112.3K35 E36 M37 K42 N43K35-Q39 VanDerWaalsContact O-CB 3.29Å; K35-Q39 WeakPolarHBondContact O-CB 3.39Å; K35-Q39 PolarHBondContact O-N 3.36Å; E36-Q39 PolarHBondContact O-N 2.75Å; M37-Q39 VanDerWaalsContact C-N 3.3Å; M37-Q39 PolarHBondContact O-N 2.96Å; Q39-K42 PolarHBondContact O-N 3.21Å; Q39-N43 PolarHBondContact NE2-OD1 2.92Å; Q39-N43 WeakPolarHBondContact O-CB 3.5Å; Q39-N43 PolarHBondContact O-N 2.89Å; Q39-N43 PolarHBondContact O-OD1 3.18Å
40F98.5Very high97.9Very high2 Ų243.6 Ų43.61%0.00922%0.224CC..Hα-helixtrans-56.7-50.9169.1168.2-85.1000110.5I2 M4 I7 E36 M37 K42 N43 S44 L55 L61 L115I2-F40 HydrophobicContact CB-CB 4.11Å; I2-F40 HydrophobicContact CB-CD2 4.24Å; I2-F40 HydrophobicContact CB-CG 4.45Å; I2-F40 HydrophobicContact CG2-CB 4.16Å; I2-F40 HydrophobicContact CG2-CD2 3.65Å; I2-F40 HydrophobicContact CG2-CE2 4.31Å; I2-F40 HydrophobicContact CG2-CG 3.99Å; M4-F40 HydrophobicContact SD-CE2 4.19Å; M4-F40 HydrophobicContact SD-CZ 3.9Å; I7-F40 HydrophobicContact CD1-CE1 4.08Å; I7-F40 HydrophobicContact CD1-CE2 3.83Å; I7-F40 HydrophobicContact CD1-CZ 3.52Å; E36-F40 PolarHBondContact O-N 2.89Å; M37-F40 PolarHBondContact O-N 2.83Å; F40-K42 VanDerWaalsContact C-N 3.34Å; F40-K42 PolarHBondContact O-N 3.35Å; F40-N43 CarbonylContact O-C 3.38Å; F40-N43 PolarHBondContact O-N 3.34Å; F40-N43 VanDerWaalsContact O-N 3.09Å; F40-S44 WeakPolarHBondContact O-CB 3.4Å; F40-S44 PolarHBondContact O-N 2.95Å; F40-L55 HydrophobicContact CD2-CD2 4.32Å; F40-L55 HydrophobicContact CE2-CD2 3.9Å; F40-L61 HydrophobicContact CB-CD2 4.5Å; F40-L61 HydrophobicContact CD1-CD2 3.93Å; F40-L61 HydrophobicContact CG-CD2 4.31Å; F40-L115 HydrophobicContact CE1-CD1 3.57Å; F40-L115 HydrophobicContact CZ-CD1 4.09Å; F40-L115 HydrophobicContact CZ-CD2 4.43Å
41L98.4Very high97.7Very high0 Ų051.4 Ų51.40%026%0.26CS..Hα-helixtrans-58.2-46.1-179-65.5173.9000111.6M37 N43 S44 Q45 G58 G60 L61 A74 H76M37-L41 WeakPolarHBondContact O-CG 3.32Å; M37-L41 PolarHBondContact O-N 3.35Å; L41-N43 PolarHBondContact O-N 3.21Å; L41-S44 PolarHBondContact O-N 3.26Å; L41-S44 PolarHBondContact O-OG 2.94Å; L41-Q45 WeakPolarHBondContact O-CG 3.44Å; L41-Q45 PolarHBondContact O-N 3.12Å; L41-G58 WeakPolarHBondContact CD2-O 3.4Å; L41-G60 WeakPolarHBondContact CD2-O 3.4Å; L41-L61 HydrophobicContact CD1-CB 4.42Å; L41-L61 HydrophobicContact CD2-CB 4.07Å; L41-L61 HydrophobicContact CG-CB 4.32Å; L41-A74 HydrophobicContact CD1-CB 3.94Å; L41-H76 HydrophobicContact CB-CB 3.79Å; L41-H76 HydrophobicContact CD1-CB 4.09Å
42K97.8Very high97.6Very high79 Ų7957.5 Ų57.534%0.34329%0.288SS..Hα-helixtrans-60.6-42.3174.7-71.9172-179.3177.40113.1L38 Q39 F40 Q45 D46L38-K42 WeakPolarHBondContact O-CG 3.42Å; L38-K42 PolarHBondContact O-N 3.25Å; Q39-K42 PolarHBondContact O-N 3.21Å; F40-K42 VanDerWaalsContact C-N 3.34Å; F40-K42 PolarHBondContact O-N 3.35Å; K42-Q45 PolarHBondContact O-N 2.77Å; K42-D46 PolarHBondContact O-N 2.74Å
43N97.8Very high97.4Very high6 Ų655.5 Ų55.53%0.03228%0.28CS..Hα-helixtrans-68.7-34.8177.5-70.5-7.1000111.7Q39 F40 L41 Q45 D46 K49 A50 L55Q39-N43 PolarHBondContact NE2-OD1 2.92Å; Q39-N43 WeakPolarHBondContact O-CB 3.5Å; Q39-N43 PolarHBondContact O-N 2.89Å; Q39-N43 PolarHBondContact O-OD1 3.18Å; F40-N43 CarbonylContact O-C 3.38Å; F40-N43 PolarHBondContact O-N 3.34Å; F40-N43 VanDerWaalsContact O-N 3.09Å; L41-N43 PolarHBondContact O-N 3.21Å; N43-Q45 PolarHBondContact O-N 3.46Å; N43-D46 PolarHBondContact O-N 3.46Å; N43-K49 HydrophobicContact CB-CB 4.25Å; N43-K49 HydrophobicContact CB-CD 4.04Å; N43-K49 WeakPolarHBondContact OD1-CD 3.17Å; N43-K49 PolarHBondContact OD1-NZ 2.92Å; N43-A50 PolarHBondContact O-N 3.47Å; N43-L55 HydrophobicContact CB-CD1 3.7Å
44S97.5Very high97.3Very high6 Ų660.9 Ų60.94%0.04231%0.309CS..Hα-helixtrans-70-18.9178.780.70000113.9F40 L41 R56 G57 G58F40-S44 WeakPolarHBondContact O-CB 3.4Å; F40-S44 PolarHBondContact O-N 2.95Å; L41-S44 PolarHBondContact O-N 3.26Å; L41-S44 PolarHBondContact O-OG 2.94Å; S44-R56 WeakPolarHBondContact CB-O 3.39Å; S44-G57 WeakPolarHBondContact O-CA 3.48Å; S44-G58 PolarHBondContact OG-N 3.38Å; S44-G58 VanDerWaalsContact OG-N 3.11Å; S44-G58 PolarHBondContact OG-O 3.36Å
45Q96.6Very high97.2Very high68 Ų6861.7 Ų61.732%0.31831%0.313SS..THydrogen-bonded Turntrans-101.1-7.3177.3-65.4177.330.100113L41 K42 N43 P47 G58 H76L41-Q45 WeakPolarHBondContact O-CG 3.44Å; L41-Q45 PolarHBondContact O-N 3.12Å; K42-Q45 PolarHBondContact O-N 2.77Å; N43-Q45 PolarHBondContact O-N 3.46Å; Q45-P47 WeakPolarHBondContact O-CD 3.31Å; Q45-G58 PolarHBondContact NE2-O 2.89Å; Q45-H76 PolarHBondContact NE2-O 3.01Å; Q45-H76 PolarHBondContact OE1-CD2 2.99Å
46D96.8Very high97Very high52 Ų5261.5 Ų61.528%0.27831%0.31SS..SBendtrans-90111.8173.7176.5-21.4000108.1K42 N43 V48 K49 A50K42-D46 PolarHBondContact O-N 2.74Å; N43-D46 PolarHBondContact O-N 3.46Å; D46-V48 PolarHBondContact O-N 3.3Å; D46-V48 VanDerWaalsContact O-N 3.14Å; D46-V48 PolarHBondContact OD1-N 2.74Å; D46-V48 VanDerWaalsContact OD1-N 3.15Å; D46-K49 HydrophobicContact CB-CB 4.16Å; D46-K49 HydrophobicContact CB-CD 4.21Å; D46-K49 HydrophobicContact CB-CG 4.32Å; D46-K49 PolarHBondContact O-N 3.04Å; D46-K49 VanDerWaalsContact O-N 3.17Å; D46-K49 PolarHBondContact OD1-N 2.68Å; D46-K49 WeakPolarHBondContact OD2-CD 3.44Å; D46-K49 VanDerWaalsContact OD2-CE 3.27Å; D46-K49 WeakPolarHBondContact OD2-CE 3.44Å; D46-K49 IonicContact OD2-NZ 3.45Å; D46-A50 VanDerWaalsContact O-CB 3.28Å; D46-A50 WeakPolarHBondContact O-CB 3.3Å; D46-A50 PolarHBondContact O-N 3.2Å
47P95.8Very high96.8Very high104 Ų10460.8 Ų60.868%0.67532%0.321SS*.Hα-helixtrans-56.9-34.6-172.8-27.435.6000114Q45 E51Q45-P47 WeakPolarHBondContact O-CD 3.31Å; P47-E51 WeakPolarHBondContact O-CB 3.28Å; P47-E51 PolarHBondContact O-N 2.89Å; P47-E51 VanDerWaalsContact O-N 3.15Å
48V97.5Very high96.7Very high102 Ų10261.3 Ų61.362%0.61833%0.326SS*.Hα-helixtrans-70.1-46.4-178.6-179.50000110D46 E52D46-V48 PolarHBondContact O-N 3.3Å; D46-V48 VanDerWaalsContact O-N 3.14Å; D46-V48 PolarHBondContact OD1-N 2.74Å; D46-V48 VanDerWaalsContact OD1-N 3.15Å; V48-E52 VanDerWaalsContact O-CB 3.28Å; V48-E52 WeakPolarHBondContact O-CB 3.33Å; V48-E52 PolarHBondContact O-N 3.44Å
49K96Very high96.6Very high69 Ų6962.1 Ų62.130%0.333%0.332SS..Hα-helixtrans-74.7-33.8-179.8-64.8-179-173.2162.60113.1N43 D46 E51 E52 L53N43-K49 HydrophobicContact CB-CB 4.25Å; N43-K49 HydrophobicContact CB-CD 4.04Å; N43-K49 WeakPolarHBondContact OD1-CD 3.17Å; N43-K49 PolarHBondContact OD1-NZ 2.92Å; D46-K49 HydrophobicContact CB-CB 4.16Å; D46-K49 HydrophobicContact CB-CD 4.21Å; D46-K49 HydrophobicContact CB-CG 4.32Å; D46-K49 PolarHBondContact O-N 3.04Å; D46-K49 VanDerWaalsContact O-N 3.17Å; D46-K49 PolarHBondContact OD1-N 2.68Å; D46-K49 WeakPolarHBondContact OD2-CD 3.44Å; D46-K49 VanDerWaalsContact OD2-CE 3.27Å; D46-K49 WeakPolarHBondContact OD2-CE 3.44Å; D46-K49 IonicContact OD2-NZ 3.45Å; K49-E51 VanDerWaalsContact C-N 3.3Å; K49-E52 PolarHBondContact O-N 2.92Å; K49-L53 VanDerWaalsContact O-CB 3.25Å; K49-L53 WeakPolarHBondContact O-CB 3.38Å; K49-L53 WeakPolarHBondContact O-CG 3.23Å; K49-L53 PolarHBondContact O-N 3.1Å
50A96.5Very high96.7Very high20 Ų2058.6 Ų58.617%0.16532%0.317CS..Hα-helixtrans-64.4-38.417600000110.9N43 D46 N54 L55N43-A50 PolarHBondContact O-N 3.47Å; D46-A50 VanDerWaalsContact O-CB 3.28Å; D46-A50 WeakPolarHBondContact O-CB 3.3Å; D46-A50 PolarHBondContact O-N 3.2Å; A50-N54 CarbonylContact O-C 3.51Å; A50-N54 VanDerWaalsContact O-CA 3.25Å; A50-N54 WeakPolarHBondContact O-CA 3.39Å; A50-N54 PolarHBondContact O-N 3.14Å; A50-L55 HydrophobicContact CB-CB 4.47Å; A50-L55 PolarHBondContact O-N 2.83Å
51E96Very high96.7Very high166 Ų16658.5 Ų58.578%0.77632%0.317SS*.Hα-helixtrans-70.1-50.7171.2-173.4173.5-160.700111.9P47 K49 L53 N54P47-E51 WeakPolarHBondContact O-CB 3.28Å; P47-E51 PolarHBondContact O-N 2.89Å; P47-E51 VanDerWaalsContact O-N 3.15Å; K49-E51 VanDerWaalsContact C-N 3.3Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.27Å; E51-N54 PolarHBondContact O-N 3.02Å
52E95.7Very high96.7Very high147 Ų14758.5 Ų58.569%0.68732%0.317SS*.Hα-helixtrans-56.9-41.6-179.2-177.7-175.6177.700113.2V48 K49V48-E52 VanDerWaalsContact O-CB 3.28Å; V48-E52 WeakPolarHBondContact O-CB 3.33Å; V48-E52 PolarHBondContact O-N 3.44Å; K49-E52 PolarHBondContact O-N 2.92Å
53L95.1Very high96.7Very high58 Ų5854.8 Ų54.830%0.30430%0.3SS..THydrogen-bonded Turntrans-1046.6-174.7-57.1172.7000113.1M1 K49 E51 L55M1-L53 HydrophobicContact SD-CD1 3.96Å; K49-L53 VanDerWaalsContact O-CB 3.25Å; K49-L53 WeakPolarHBondContact O-CB 3.38Å; K49-L53 WeakPolarHBondContact O-CG 3.23Å; K49-L53 PolarHBondContact O-N 3.1Å; E51-L53 VanDerWaalsContact C-N 3.32Å; E51-L53 PolarHBondContact O-N 3.27Å; L53-L55 HydrophobicContact CB-CD1 4.02Å; L53-L55 HydrophobicContact CB-CD2 3.94Å; L53-L55 HydrophobicContact CB-CG 3.72Å; L53-L55 HydrophobicContact CD1-CD1 4.18Å; L53-L55 WeakPolarHBondContact O-CD2 3.34Å; L53-L55 PolarHBondContact O-N 3.08Å
54N95.5Very high96.8Very high135 Ų13554.5 Ų54.572%0.72230%0.299SS*.THydrogen-bonded Turntrans49.649.5-178.5-171.749.4000113.4M4 A50 E51M4-N54 WeakPolarHBondContact CG-O 3.41Å; A50-N54 CarbonylContact O-C 3.51Å; A50-N54 VanDerWaalsContact O-CA 3.25Å; A50-N54 WeakPolarHBondContact O-CA 3.39Å; A50-N54 PolarHBondContact O-N 3.14Å; E51-N54 PolarHBondContact O-N 3.02Å
55L96.1Very high96.9Very high16 Ų1654.3 Ų54.38%0.08430%0.298CS..PPolyproline II helixtrans-92.5135.8-176.1-51.6176.7000111.6M4 F40 N43 A50 L53M4-L55 HydrophobicContact CG-CD2 4.4Å; F40-L55 HydrophobicContact CD2-CD2 4.32Å; F40-L55 HydrophobicContact CE2-CD2 3.9Å; N43-L55 HydrophobicContact CB-CD1 3.7Å; A50-L55 HydrophobicContact CB-CB 4.47Å; A50-L55 PolarHBondContact O-N 2.83Å; L53-L55 HydrophobicContact CB-CD1 4.02Å; L53-L55 HydrophobicContact CB-CD2 3.94Å; L53-L55 HydrophobicContact CB-CG 3.72Å; L53-L55 HydrophobicContact CD1-CD1 4.18Å; L53-L55 WeakPolarHBondContact O-CD2 3.34Å; L53-L55 PolarHBondContact O-N 3.08Å
56R95.4Very high97Very high90 Ų9052 Ų5234%0.3429%0.287SS..PPolyproline II helixtrans-79.3128.9164-176.8158.676.4-131.314.2109.2M4 S44 G58 C114 L115 V117 D118M4-R56 HydrophobicContact CE-CB 4.05Å; M4-R56 HydrophobicContact SD-CB 3.84Å; M4-R56 PolarHBondContact SD-N 3.14Å; M4-R56 VanDerWaalsContact SD-N 3.43Å; S44-R56 WeakPolarHBondContact CB-O 3.39Å; R56-G58 PolarHBondContact O-N 3.04Å; R56-C114 PolarHBondContact NH2-O 3.01Å; R56-L115 HydrophobicContact CB-CD2 4.02Å; R56-L115 HydrophobicContact CG-CD2 4.13Å; R56-L115 PolarHBondContact NH2-O 3.22Å; R56-L115 VanDerWaalsContact NH2-O 3.13Å; R56-L115 WeakPolarHBondContact O-CD2 3.26Å; R56-V117 PolarHBondContact NH2-O 3.05Å; R56-D118 IonicContact CZ-OD1 3.75Å; R56-D118 IonicContact NH1-OD1 3.58Å; R56-D118 PolarHBondContact NH1-OD1 3.21Å; R56-D118 IonicContact NH2-OD1 3.8Å; R56-D118 PolarHBondContact NH2-OD1 3.43Å
57G94.2Very high97Very high53 Ų5353.2 Ų53.255%0.54629%0.294SS..PPolyproline II helixtrans-56.5131.6176.200000112.4S44S44-G57 WeakPolarHBondContact O-CA 3.48Å
58G96.4Very high97.2Very high11 Ų1151 Ų5111%0.11328%0.275CS..  trans-141.3151.6176.200000112.2L41 S44 Q45 R56L41-G58 WeakPolarHBondContact CD2-O 3.4Å; S44-G58 PolarHBondContact OG-N 3.38Å; S44-G58 VanDerWaalsContact OG-N 3.11Å; S44-G58 PolarHBondContact OG-O 3.36Å; Q45-G58 PolarHBondContact NE2-O 2.89Å; R56-G58 PolarHBondContact O-N 3.04Å
59V97.8Very high97.2Very high41 Ų4147.9 Ų47.925%0.24826%0.258CS..SBendtrans-108.8-10.7177.2-67.90000113.5V75 H76 V77 Y150 V154V59-V75 CarbonylContact O-C 3.43Å; V59-V75 WeakPolarHBondContact O-CA 3.3Å; V59-H76 PolarHBondContact O-N 2.99Å; V59-V77 HydrophobicContact CB-CG2 4.08Å; V59-V77 HydrophobicContact CG1-CG2 4.49Å; V59-Y150 HydrophobicContact CG1-CE1 4.47Å; V59-Y150 HydrophobicContact CG2-CE1 4.41Å; V59-V154 HydrophobicContact CG2-CG1 4Å; V59-V154 HydrophobicContact CG2-CG2 3.67Å
60G98.6Very high97.4Very high6 Ų646.6 Ų46.66%0.06225%0.253CS..EExtended strand (participates in β ladder)trans-148.1153.3175.900000110.6L41 A74 E158L41-G60 WeakPolarHBondContact CD2-O 3.4Å; G60-A74 VanDerWaalsContact CA-O 3.32Å; G60-A74 WeakPolarHBondContact CA-O 3.46Å; G60-E158 VanDerWaalsContact C-CD 3.49Å; G60-E158 VanDerWaalsContact CA-OE1 3.31Å; G60-E158 WeakPolarHBondContact CA-OE1 3.32Å
61L98.8Very high97.5Very high0 Ų047 Ų470%025%0.25CC..EExtended strand (participates in β ladder)trans-150.3129.2174.5-179.966.8000108.7I7 M37 F40 L41 Q65 L66 I73 A74 L115 E158I7-L61 HydrophobicContact CD1-CD1 4.18Å; I7-L61 HydrophobicContact CG1-CD1 4.41Å; M37-L61 HydrophobicContact CB-CD2 4.04Å; M37-L61 HydrophobicContact CE-CG 4.33Å; M37-L61 WeakPolarHBondContact CE-O 3.12Å; M37-L61 HydrophobicContact CG-CD2 3.99Å; F40-L61 HydrophobicContact CB-CD2 4.5Å; F40-L61 HydrophobicContact CD1-CD2 3.93Å; F40-L61 HydrophobicContact CG-CD2 4.31Å; L41-L61 HydrophobicContact CD1-CB 4.42Å; L41-L61 HydrophobicContact CD2-CB 4.07Å; L41-L61 HydrophobicContact CG-CB 4.32Å; L61-Q65 HydrophobicContact CD1-CB 3.98Å; L61-L66 HydrophobicContact CD2-CD1 4.26Å; L61-L66 HydrophobicContact CD2-CD2 4.46Å; L61-I73 WeakPolarHBondContact O-CA 3.46Å; L61-A74 PolarHBondContact N-O 3.46Å; L61-A74 PolarHBondContact O-N 3.33Å; L61-L115 HydrophobicContact CD1-CD1 4.07Å; L61-E158 WeakPolarHBondContact CA-OE2 3.47Å; L61-E158 PolarHBondContact N-OE2 3.34Å; L61-E158 VanDerWaalsContact N-OE2 3.16Å
62A98.9Very high97.6Very high0 Ų039 Ų390%021%0.213CC..EExtended strand (participates in β ladder)trans-105.8142.2175.700000111P64 Q65 I73 E158 H161 I162A62-P64 VanDerWaalsContact C-N 3.29Å; A62-Q65 HydrophobicContact CB-CG 4.45Å; A62-Q65 VanDerWaalsContact O-CB 3.26Å; A62-Q65 WeakPolarHBondContact O-CB 3.45Å; A62-Q65 PolarHBondContact O-N 2.81Å; A62-I73 HydrophobicContact CB-CG2 3.91Å; A62-E158 PolarHBondContact N-OE2 2.84Å; A62-E158 VanDerWaalsContact N-OE2 3.12Å; A62-H161 HydrophobicContact CB-CB 3.48Å; A62-H161 VanDerWaalsContact CB-CB 3.48Å; A62-I162 HydrophobicContact CB-CG2 4.23Å
63A98.9Very high97.8Very high0 Ų032 Ų320%018%0.18CC..G310 helixtrans-55.6-32.5-179.100000114.9L33 M37 Q65 L66 I68 I72L33-A63 HydrophobicContact CD2-CB 4.36Å; M37-A63 HydrophobicContact CE-CB 4.27Å; M37-A63 HydrophobicContact SD-CB 4.22Å; A63-Q65 PolarHBondContact O-N 2.83Å; A63-L66 WeakPolarHBondContact O-CA 3.37Å; A63-L66 WeakPolarHBondContact O-CB 3.5Å; A63-L66 PolarHBondContact O-N 2.72Å; A63-I68 CarbonylContact C-O 3.57Å; A63-I68 HydrophobicContact CB-CB 4.24Å; A63-I68 HydrophobicContact CB-CG2 4.27Å; A63-I68 PolarHBondContact O-N 3.47Å; A63-I68 VanDerWaalsContact O-N 3.08Å; A63-I68 VanDerWaalsContact O-O 3.11Å; A63-I72 HydrophobicContact CB-CB 4.01Å; A63-I72 PolarHBondContact N-O 3.38Å
64P98.8Very high98Very high0 Ų029.3 Ų29.30%017%0.166CC..G310 helixtrans-58.7-26172-28.937.8000114I8 T14 A19 A62 L66 D67 I68 I162I8-P64 VanDerWaalsContact CD1-O 3.22Å; I8-P64 WeakPolarHBondContact CD1-O 3.47Å; T14-P64 HydrophobicContact CG2-CB 4.32Å; A19-P64 HydrophobicContact CB-CG 3.9Å; A62-P64 VanDerWaalsContact C-N 3.29Å; P64-L66 PolarHBondContact O-N 2.78Å; P64-D67 PolarHBondContact O-N 2.93Å; P64-I68 WeakPolarHBondContact CA-O 3.5Å; P64-I68 VanDerWaalsContact N-O 3.08Å; P64-I162 HydrophobicContact CG-CG2 4.06Å
65Q98.8Very high98.1Very high3 Ų322.9 Ų22.91%0.01413%0.131CC..G310 helixtrans-71.8-9.6174.1-56.8-179.9-92.800113.3I7 I8 L15 L61 A62 A63 C114 S116 H161I7-Q65 CarbonylContact C-O 3.2Å; I7-Q65 VanDerWaalsContact CA-O 3.23Å; I7-Q65 WeakPolarHBondContact CA-O 3.37Å; I7-Q65 HydrophobicContact CG2-CB 4.39Å; I8-Q65 WeakPolarHBondContact CG1-O 3.43Å; I8-Q65 PolarHBondContact N-O 2.91Å; L15-Q65 HydrophobicContact CD2-CB 4.32Å; L15-Q65 HydrophobicContact CD2-CG 3.86Å; L61-Q65 HydrophobicContact CD1-CB 3.98Å; A62-Q65 HydrophobicContact CB-CG 4.45Å; A62-Q65 VanDerWaalsContact O-CB 3.26Å; A62-Q65 WeakPolarHBondContact O-CB 3.45Å; A62-Q65 PolarHBondContact O-N 2.81Å; A63-Q65 PolarHBondContact O-N 2.83Å; Q65-C114 PolarHBondContact NE2-SG 3.37Å; Q65-S116 PolarHBondContact NE2-OG 2.95Å; Q65-S116 VanDerWaalsContact NE2-OG 3.1Å; Q65-H161 VanDerWaalsContact CD-CD2 3.41Å; Q65-H161 PolarHBondContact NE2-NE2 3.26Å; Q65-H161 PolarHBondContact OE1-CD2 3.34Å; Q65-H161 VanDerWaalsContact OE1-CD2 3.28Å
66L98.8Very high98.2Very high19 Ų1923.5 Ų23.510%0.09913%0.134CC..G310 helixtrans-106.920.4174-56.3169.4000111.4I2 D6 I7 L33 M37 L61 A63 P64 I68I2-L66 HydrophobicContact CD1-CD1 3.5Å; I2-L66 VanDerWaalsContact CD1-CD1 3.5Å; I2-L66 HydrophobicContact CD1-CD2 4.29Å; I2-L66 HydrophobicContact CG1-CD1 4.2Å; I2-L66 HydrophobicContact CG1-CD2 4.25Å; I2-L66 HydrophobicContact CG2-CD2 3.64Å; D6-L66 HydrophobicContact CB-CD2 4.19Å; I7-L66 HydrophobicContact CG1-CD2 3.89Å; L33-L66 HydrophobicContact CD1-CD1 3.92Å; M37-L66 HydrophobicContact CG-CD1 3.69Å; M37-L66 HydrophobicContact SD-CD1 4.26Å; L61-L66 HydrophobicContact CD2-CD1 4.26Å; L61-L66 HydrophobicContact CD2-CD2 4.46Å; A63-L66 WeakPolarHBondContact O-CA 3.37Å; A63-L66 WeakPolarHBondContact O-CB 3.5Å; A63-L66 PolarHBondContact O-N 2.72Å; P64-L66 PolarHBondContact O-N 2.78Å; L66-I68 HydrophobicContact CB-CD1 4.31Å; L66-I68 PolarHBondContact O-N 2.91Å
67D98.6Very high98.3Very high78 Ų7820 Ų2042%0.41712%0.122SC..THydrogen-bonded Turntrans6016.2-169.6-153.529.4000115.5I8 H12 T14 P64I8-D67 HydrophobicContact CD1-CB 4.15Å; I8-D67 HydrophobicContact CG2-CB 3.99Å; H12-D67 IonicContact CE1-OD1 3.32Å; H12-D67 PolarHBondContact CE1-OD1 3.02Å; H12-D67 IonicContact CE1-OD2 3.67Å; H12-D67 IonicContact ND1-OD1 2.73Å; H12-D67 PolarHBondContact ND1-OD1 3.09Å; T14-D67 WeakPolarHBondContact CB-OD1 3.44Å; T14-D67 PolarHBondContact OG1-OD1 3.31Å; P64-D67 PolarHBondContact O-N 2.93Å
68I98.7Very high98.3Very high56 Ų5620.8 Ų20.829%0.28712%0.118SC..  trans-102.4102-178.8-63.3166.3000109.4L33 A63 P64 L66 K70L33-I68 HydrophobicContact CD1-CD1 3.81Å; L33-I68 HydrophobicContact CD2-CB 4.45Å; L33-I68 HydrophobicContact CD2-CD1 3.7Å; L33-I68 HydrophobicContact CD2-CG2 3.86Å; L33-I68 HydrophobicContact CG-CD1 4.43Å; A63-I68 CarbonylContact C-O 3.57Å; A63-I68 HydrophobicContact CB-CB 4.24Å; A63-I68 HydrophobicContact CB-CG2 4.27Å; A63-I68 PolarHBondContact O-N 3.47Å; A63-I68 VanDerWaalsContact O-N 3.08Å; A63-I68 VanDerWaalsContact O-O 3.11Å; P64-I68 WeakPolarHBondContact CA-O 3.5Å; P64-I68 VanDerWaalsContact N-O 3.08Å; L66-I68 HydrophobicContact CB-CD1 4.31Å; L66-I68 PolarHBondContact O-N 2.91Å; I68-K70 HydrophobicContact CG2-CB 4.05Å; I68-K70 HydrophobicContact CG2-CD 3.64Å; I68-K70 HydrophobicContact CG2-CG 3.68Å; I68-K70 PolarHBondContact O-N 3.31Å
69S98.5Very high98.1Very high37 Ų3721.7 Ų21.726%0.25912%0.122SC..  trans-74.559-178.2-165.90000113.6N20N20-S69 PolarHBondContact N-O 3.4Å; N20-S69 PolarHBondContact ND2-O 2.94Å
70K98.9Very high97.5Very high43 Ų4326.9 Ų26.919%0.18715%0.154CC..BIsolated β-bridgetrans-122.6147177.4-63.3-179.9-176.8175.50110.6N20 V22 E29 D30 I68 I72N20-K70 CarbonylContact O-C 3.47Å; N20-K70 WeakPolarHBondContact O-CA 2.99Å; V22-K70 HydrophobicContact CG1-CB 3.91Å; V22-K70 HydrophobicContact CG1-CD 4.12Å; V22-K70 HydrophobicContact CG1-CG 4.24Å; E29-K70 IonicContact OE1-NZ 3.82Å; E29-K70 PolarHBondContact OE1-NZ 2.97Å; D30-K70 WeakPolarHBondContact OD1-CD 3.45Å; D30-K70 WeakPolarHBondContact OD1-CE 3.36Å; D30-K70 IonicContact OD1-NZ 3.96Å; D30-K70 PolarHBondContact OD1-NZ 2.88Å; I68-K70 HydrophobicContact CG2-CB 4.05Å; I68-K70 HydrophobicContact CG2-CD 3.64Å; I68-K70 HydrophobicContact CG2-CG 3.68Å; I68-K70 PolarHBondContact O-N 3.31Å; K70-I72 HydrophobicContact CB-CD1 4.08Å; K70-I72 HydrophobicContact CB-CG1 4.08Å; K70-I72 HydrophobicContact CD-CD1 4.11Å; K70-I72 PolarHBondContact O-N 2.95Å
71R98.8Very high97Very high27 Ų2728.9 Ų28.910%0.10216%0.163CC..SBendtrans-80.163.5178-64.7-17778.877.44.2112A19 N20 N95 P96 I162 N163A19-R71 HydrophobicContact CB-CG 3.97Å; A19-R71 WeakPolarHBondContact O-CD 3.44Å; A19-R71 WeakPolarHBondContact O-CG 3.29Å; N20-R71 WeakPolarHBondContact O-CG 3.27Å; N20-R71 PolarHBondContact O-N 2.99Å; R71-N95 PolarHBondContact O-N 3.35Å; R71-P96 WeakPolarHBondContact O-CD 3.36Å; R71-I162 HydrophobicContact CB-CD1 4.08Å; R71-I162 HydrophobicContact CG-CB 4.3Å; R71-I162 HydrophobicContact CG-CD1 4.23Å; R71-I162 PolarHBondContact NH1-O 3.05Å; R71-N163 PolarHBondContact NH1-OD1 3.45Å; R71-N163 PolarHBondContact NH2-OD1 2.75Å
72I98.9Very high96.3Very high0 Ų034 Ų340%020%0.197CC..EExtended strand (participates in β ladder)trans-121.1130.7176.8-50.3173.1000107.8V22 D30 L33 M37 A63 K70 V92 Y94V22-I72 HydrophobicContact CG1-CD1 4.02Å; V22-I72 HydrophobicContact CG1-CG1 3.9Å; D30-I72 HydrophobicContact CB-CD1 3.89Å; L33-I72 HydrophobicContact CD2-CD1 4.02Å; M37-I72 HydrophobicContact CE-CG2 4.39Å; M37-I72 HydrophobicContact SD-CG2 4.09Å; A63-I72 HydrophobicContact CB-CB 4.01Å; A63-I72 PolarHBondContact N-O 3.38Å; K70-I72 HydrophobicContact CB-CD1 4.08Å; K70-I72 HydrophobicContact CB-CG1 4.08Å; K70-I72 HydrophobicContact CD-CD1 4.11Å; K70-I72 PolarHBondContact O-N 2.95Å; I72-V92 HydrophobicContact CG2-CG1 3.77Å; I72-Y94 HydrophobicContact CD1-CD1 4.24Å; I72-Y94 HydrophobicContact CD1-CE1 4.18Å; I72-Y94 HydrophobicContact CG1-CD1 3.91Å; I72-Y94 HydrophobicContact CG1-CE1 4.24Å; I72-Y94 HydrophobicContact CG2-CD1 4.04Å; I72-Y94 HydrophobicContact CG2-CE1 3.84Å
73I98.9Very high95.8Very high0 Ų042.1 Ų42.10%023%0.234CC..EExtended strand (participates in β ladder)trans-131.1143.9172.269179.1000109.6L61 A62 V92 M93 P96 V155 E158 I159 I162L61-I73 WeakPolarHBondContact O-CA 3.46Å; A62-I73 HydrophobicContact CB-CG2 3.91Å; I73-V92 CarbonylContact O-C 3.55Å; I73-V92 WeakPolarHBondContact O-CA 3.19Å; I73-V92 WeakPolarHBondContact O-CG1 3.46Å; I73-M93 HydrophobicContact CD1-CB 4.21Å; I73-M93 HydrophobicContact CD1-CG 4.43Å; I73-M93 HydrophobicContact CD1-SD 4.09Å; I73-M93 HydrophobicContact CG1-CB 3.77Å; I73-M93 HydrophobicContact CG1-CG 4.25Å; I73-M93 PolarHBondContact N-O 3.2Å; I73-M93 VanDerWaalsContact N-O 3.13Å; I73-M93 PolarHBondContact O-N 3.41Å; I73-P96 HydrophobicContact CD1-CB 4.11Å; I73-P96 HydrophobicContact CD1-CG 3.74Å; I73-P96 HydrophobicContact CG1-CG 3.96Å; I73-P96 HydrophobicContact CG2-CG 4.44Å; I73-V155 HydrophobicContact CD1-CG1 4.45Å; I73-E158 HydrophobicContact CB-CB 3.81Å; I73-E158 HydrophobicContact CB-CG 4.49Å; I73-E158 HydrophobicContact CD1-CB 3.72Å; I73-E158 HydrophobicContact CG1-CB 4.29Å; I73-E158 HydrophobicContact CG2-CB 3.79Å; I73-E158 WeakPolarHBondContact CG2-O 3.41Å; I73-I159 HydrophobicContact CD1-CG1 4.1Å; I73-I162 HydrophobicContact CG2-CD1 4.47Å; I73-I162 HydrophobicContact CG2-CG2 3.74Å
74A98.9Very high95.2Very high0 Ų046.6 Ų46.60%025%0.254CS..EExtended strand (participates in β ladder)trans-112142.1167.100000108.8M37 L38 L41 G60 L61 V92M37-A74 HydrophobicContact CB-CB 3.68Å; M37-A74 HydrophobicContact CE-CB 4.28Å; L38-A74 HydrophobicContact CB-CB 4.26Å; L41-A74 HydrophobicContact CD1-CB 3.94Å; G60-A74 VanDerWaalsContact CA-O 3.32Å; G60-A74 WeakPolarHBondContact CA-O 3.46Å; L61-A74 PolarHBondContact N-O 3.46Å; L61-A74 PolarHBondContact O-N 3.33Å; A74-V92 HydrophobicContact CB-CG2 4.38Å
75V98.7Very high94.5Very high0 Ų051 Ų510%028%0.282CS..EExtended strand (participates in β ladder)trans-133.8139.2172.2-68.60000110.2L38 V59 I89 S90 T91 M93 V154 V155 E158L38-V75 WeakPolarHBondContact CD1-O 3.44Å; V59-V75 CarbonylContact O-C 3.43Å; V59-V75 WeakPolarHBondContact O-CA 3.3Å; V75-I89 HydrophobicContact CG2-CD1 3.94Å; V75-I89 HydrophobicContact CG2-CG1 3.9Å; V75-I89 HydrophobicContact CG2-CG2 4.26Å; V75-S90 CarbonylContact O-C 3.5Å; V75-S90 VanDerWaalsContact O-CA 3.28Å; V75-S90 WeakPolarHBondContact O-CA 3.38Å; V75-T91 HydrophobicContact CG2-CG2 4.03Å; V75-T91 PolarHBondContact N-O 3.43Å; V75-T91 PolarHBondContact O-N 3.35Å; V75-M93 HydrophobicContact CG2-CE 3.96Å; V75-V154 HydrophobicContact CB-CG1 4.45Å; V75-V154 HydrophobicContact CG1-CG1 3.85Å; V75-V155 HydrophobicContact CG1-CG2 4.02Å; V75-V155 HydrophobicContact CG2-CG2 4.31Å; V75-E158 HydrophobicContact CG1-CG 3.79Å
76H98.1Very high93.7Very high30 Ų3057.2 Ų57.214%0.13931%0.312CS..EExtended strand (participates in β ladder)trans-141.493.6176.8-16763.7000110L38 L41 Q45 V59 I89 S90L38-H76 HydrophobicContact CD1-CB 4.04Å; L41-H76 HydrophobicContact CB-CB 3.79Å; L41-H76 HydrophobicContact CD1-CB 4.09Å; Q45-H76 PolarHBondContact NE2-O 3.01Å; Q45-H76 PolarHBondContact OE1-CD2 2.99Å; V59-H76 PolarHBondContact O-N 2.99Å; H76-I89 CarbonylContact C-O 3.5Å; H76-I89 WeakPolarHBondContact CA-O 3.09Å; H76-S90 VanDerWaalsContact ND1-CB 3.32Å; H76-S90 WeakPolarHBondContact ND1-CB 3.27Å; H76-S90 PolarHBondContact ND1-OG 2.6Å
77V96.7Very high93.2Very high15 Ų1559.5 Ų59.59%0.09132%0.324CS..EExtended strand (participates in β ladder)trans-114.2104.4169-174.40000107.1V59 G88 I89 Y150 V154V59-V77 HydrophobicContact CB-CG2 4.08Å; V59-V77 HydrophobicContact CG1-CG2 4.49Å; V77-G88 CarbonylContact O-C 3.59Å; V77-G88 WeakPolarHBondContact O-CA 3.44Å; V77-I89 HydrophobicContact CB-CG2 4.02Å; V77-I89 HydrophobicContact CG2-CG2 4.08Å; V77-I89 PolarHBondContact N-O 2.94Å; V77-I89 PolarHBondContact O-N 3.06Å; V77-Y150 HydrophobicContact CG1-CD1 3.89Å; V77-Y150 HydrophobicContact CG1-CE1 3.89Å; V77-Y150 HydrophobicContact CG2-CD1 4.19Å; V77-Y150 HydrophobicContact CG2-CE1 3.87Å; V77-V154 HydrophobicContact CG2-CG2 4.3Å
78P94.3Very high93Very high70 Ų7056.8 Ų56.846%0.45531%0.314SS..  trans-58151.6172-24.735.2000111.8
79S91.9Very high92.8Very high30 Ų3054.9 Ų54.921%0.2130%0.304CS..  trans-71.9132.9167.7-176.10000109.7D81 K84S79-D81 WeakPolarHBondContact CB-O 3.43Å; S79-D81 PolarHBondContact O-N 3.2Å; S79-D81 PolarHBondContact OG-N 2.96Å; S79-D81 VanDerWaalsContact OG-N 3.13Å; S79-D81 PolarHBondContact OG-O 3.37Å; S79-K84 PolarHBondContact OG-O 2.95Å
80V86Confident92.7Very high150 Ų15056 Ų5691%0.90931%0.312SS*.SBendtrans-68-18.2169.4-61.70000112.8
81D87.5Confident92.7Very high48 Ų4855.6 Ų55.626%0.25731%0.313SS..SBendtrans-115.8105.2177.4-176.3-10000108.8S79 E83 K84S79-D81 WeakPolarHBondContact CB-O 3.43Å; S79-D81 PolarHBondContact O-N 3.2Å; S79-D81 PolarHBondContact OG-N 2.96Å; S79-D81 VanDerWaalsContact OG-N 3.13Å; S79-D81 PolarHBondContact OG-O 3.37Å; D81-E83 PolarHBondContact O-N 3.3Å; D81-E83 WeakPolarHBondContact OD1-CB 3.48Å; D81-E83 PolarHBondContact OD1-N 3.45Å; D81-E83 VanDerWaalsContact OD1-N 3.09Å; D81-K84 HydrophobicContact CB-CB 4.23Å; D81-K84 CarbonylContact O-C 3.51Å; D81-K84 PolarHBondContact O-N 3.38Å; D81-K84 WeakPolarHBondContact OD2-CG 3.49Å; D81-K84 IonicContact OD2-NZ 3.71Å; D81-K84 PolarHBondContact OD2-NZ 2.85Å
82P84.2Confident92.7Very high109 Ų10955.1 Ų55.171%0.70831%0.313SS*.THydrogen-bonded Turntrans-59.9-26.2-179.7-2635.7000114K84P82-K84 PolarHBondContact O-N 2.79Å
83E89.3Confident92.7Very high169 Ų16955.1 Ų55.179%0.7931%0.313SS*.THydrogen-bonded Turntrans-78.5-7.2177-59.3-62.7127.900112.5D81 P85D81-E83 PolarHBondContact O-N 3.3Å; D81-E83 WeakPolarHBondContact OD1-CB 3.48Å; D81-E83 PolarHBondContact OD1-N 3.45Å; D81-E83 VanDerWaalsContact OD1-N 3.09Å; E83-P85 VanDerWaalsContact C-CD 3.49Å
84K86.7Confident92.7Very high94 Ų9455.2 Ų55.241%0.40931%0.314SS..  trans-130.660.7178.6-57.3-167.3-169.385.50112.2S79 D81 P82 E86 N87S79-K84 PolarHBondContact OG-O 2.95Å; D81-K84 HydrophobicContact CB-CB 4.23Å; D81-K84 CarbonylContact O-C 3.51Å; D81-K84 PolarHBondContact O-N 3.38Å; D81-K84 WeakPolarHBondContact OD2-CG 3.49Å; D81-K84 IonicContact OD2-NZ 3.71Å; D81-K84 PolarHBondContact OD2-NZ 2.85Å; P82-K84 PolarHBondContact O-N 2.79Å; K84-E86 VanDerWaalsContact CA-OE2 3.23Å; K84-E86 WeakPolarHBondContact CA-OE2 3.28Å; K84-E86 WeakPolarHBondContact CB-OE1 3.46Å; K84-E86 PolarHBondContact O-N 3.06Å; K84-N87 WeakPolarHBondContact CB-ND2 3.4Å; K84-N87 PolarHBondContact O-N 3.26Å
85P83.2Confident92.7Very high92 Ų9255.6 Ų55.660%0.59732%0.316SS*.G310 helixtrans-57.9-23.2-17726.1-35.5000113.3E83 N87 G88E83-P85 VanDerWaalsContact C-CD 3.49Å; P85-N87 PolarHBondContact O-N 2.85Å; P85-G88 PolarHBondContact O-N 3.03Å
86E83Confident92.7Very high135 Ų13555.6 Ų55.663%0.63132%0.316SS*.G310 helixtrans-67.3-11.5175.776.8-70.8169.500115.1K84K84-E86 VanDerWaalsContact CA-OE2 3.23Å; K84-E86 WeakPolarHBondContact CA-OE2 3.28Å; K84-E86 WeakPolarHBondContact CB-OE1 3.46Å; K84-E86 PolarHBondContact O-N 3.06Å
87N87.9Confident92.7Very high67 Ų6759.1 Ų59.136%0.35833%0.331SS..G310 helixtrans-81.2-19.9169.6-69.7-55.5000112.8K84 P85 N151K84-N87 WeakPolarHBondContact CB-ND2 3.4Å; K84-N87 PolarHBondContact O-N 3.26Å; P85-N87 PolarHBondContact O-N 2.85Å; N87-N151 PolarHBondContact O-ND2 3.13Å
88G93.1Very high92.8Very high20 Ų2061.2 Ų61.221%0.20634%0.341CS..SBendtrans-78.6169.2170.100000112V77 P85V77-G88 CarbonylContact O-C 3.59Å; V77-G88 WeakPolarHBondContact O-CA 3.44Å; P85-G88 PolarHBondContact O-N 3.03Å
89I95.3Very high93Very high17 Ų1762 Ų629%0.08734%0.341CS..EExtended strand (participates in β ladder)trans-140.7122167.7-172.6170.9000109.8V75 H76 V77 T91 M93 I145 L147 N151 V155V75-I89 HydrophobicContact CG2-CD1 3.94Å; V75-I89 HydrophobicContact CG2-CG1 3.9Å; V75-I89 HydrophobicContact CG2-CG2 4.26Å; H76-I89 CarbonylContact C-O 3.5Å; H76-I89 WeakPolarHBondContact CA-O 3.09Å; V77-I89 HydrophobicContact CB-CG2 4.02Å; V77-I89 HydrophobicContact CG2-CG2 4.08Å; V77-I89 PolarHBondContact N-O 2.94Å; V77-I89 PolarHBondContact O-N 3.06Å; I89-T91 HydrophobicContact CD1-CG2 4.2Å; I89-T91 HydrophobicContact CG1-CG2 4.03Å; I89-M93 HydrophobicContact CD1-CE 3.58Å; I89-I145 HydrophobicContact CD1-CD1 3.91Å; I89-L147 HydrophobicContact CD1-CD1 4.14Å; I89-L147 HydrophobicContact CD1-CD2 4.04Å; I89-N151 HydrophobicContact CG2-CB 4.25Å; I89-V155 HydrophobicContact CD1-CG2 4.4Å
90S97.1Very high93.3Very high61 Ų6163.5 Ų63.543%0.42735%0.351SS..EExtended strand (participates in β ladder)trans-137.487.9179.9173.80000109.3V75 H76V75-S90 CarbonylContact O-C 3.5Å; V75-S90 VanDerWaalsContact O-CA 3.28Å; V75-S90 WeakPolarHBondContact O-CA 3.38Å; H76-S90 VanDerWaalsContact ND1-CB 3.32Å; H76-S90 WeakPolarHBondContact ND1-CB 3.27Å; H76-S90 PolarHBondContact ND1-OG 2.6Å
91T97.9Very high93.9Very high33 Ų3362.8 Ų62.820%0.20234%0.337CS..EExtended strand (participates in β ladder)trans-154.1162-171.4-160.10000112.5V75 I89 M93V75-T91 HydrophobicContact CG2-CG2 4.03Å; V75-T91 PolarHBondContact N-O 3.43Å; V75-T91 PolarHBondContact O-N 3.35Å; I89-T91 HydrophobicContact CD1-CG2 4.2Å; I89-T91 HydrophobicContact CG1-CG2 4.03Å; T91-M93 HydrophobicContact CG2-CE 3.63Å; T91-M93 HydrophobicContact CG2-CG 3.93Å
92V98.8Very high94.4Very high17 Ų1761.4 Ų61.410%0.10333%0.332CS..EExtended strand (participates in β ladder)trans-106.7133.8167.4-173.10000107.4G34 L38 I72 I73 A74 Y94G34-V92 WeakPolarHBondContact O-CG2 3.18Å; L38-V92 HydrophobicContact CB-CG2 4.07Å; L38-V92 HydrophobicContact CD2-CG2 4.3Å; I72-V92 HydrophobicContact CG2-CG1 3.77Å; I73-V92 CarbonylContact O-C 3.55Å; I73-V92 WeakPolarHBondContact O-CA 3.19Å; I73-V92 WeakPolarHBondContact O-CG1 3.46Å; A74-V92 HydrophobicContact CB-CG2 4.38Å; V92-Y94 HydrophobicContact CB-CE2 4.14Å; V92-Y94 HydrophobicContact CG1-CD2 4.45Å; V92-Y94 HydrophobicContact CG1-CE1 4.1Å; V92-Y94 HydrophobicContact CG1-CE2 3.78Å
93M98.9Very high95Very high0 Ų063.2 Ų63.20%034%0.341CS..EExtended strand (participates in β ladder)trans-115.7119.1178.3-51.8-172.2-166.100110.5I73 V75 I89 T91 P96 V133 Y135 I145 V155I73-M93 HydrophobicContact CD1-CB 4.21Å; I73-M93 HydrophobicContact CD1-CG 4.43Å; I73-M93 HydrophobicContact CD1-SD 4.09Å; I73-M93 HydrophobicContact CG1-CB 3.77Å; I73-M93 HydrophobicContact CG1-CG 4.25Å; I73-M93 PolarHBondContact N-O 3.2Å; I73-M93 VanDerWaalsContact N-O 3.13Å; I73-M93 PolarHBondContact O-N 3.41Å; V75-M93 HydrophobicContact CG2-CE 3.96Å; I89-M93 HydrophobicContact CD1-CE 3.58Å; T91-M93 HydrophobicContact CG2-CE 3.63Å; T91-M93 HydrophobicContact CG2-CG 3.93Å; M93-P96 HydrophobicContact CB-CB 3.94Å; M93-P96 HydrophobicContact CB-CG 4.25Å; M93-P96 HydrophobicContact SD-CB 4.35Å; M93-V133 HydrophobicContact SD-CG1 4.18Å; M93-Y135 HydrophobicContact CB-CD2 3.62Å; M93-Y135 HydrophobicContact CB-CE2 4.34Å; M93-Y135 HydrophobicContact CB-CG 3.72Å; M93-Y135 HydrophobicContact CE-CE1 4.48Å; M93-Y135 HydrophobicContact CG-CD1 4.07Å; M93-Y135 HydrophobicContact CG-CD2 3.62Å; M93-Y135 HydrophobicContact CG-CE1 4.32Å; M93-Y135 HydrophobicContact CG-CE2 3.89Å; M93-Y135 HydrophobicContact CG-CG 3.72Å; M93-Y135 HydrophobicContact SD-CD1 3.83Å; M93-Y135 HydrophobicContact SD-CD2 4.45Å; M93-Y135 HydrophobicContact SD-CE1 4.19Å; M93-Y135 HydrophobicContact SD-CG 3.98Å; M93-I145 HydrophobicContact CE-CD1 3.66Å; M93-I145 HydrophobicContact SD-CD1 4.46Å; M93-V155 HydrophobicContact CE-CG1 4.32Å; M93-V155 HydrophobicContact CE-CG2 3.95Å; M93-V155 HydrophobicContact SD-CG1 4.31Å
94Y98.9Very high95.4Very high3 Ų359 Ų591%0.01232%0.321CS..EExtended strand (participates in β ladder)trans-95.1132.6173.6-55-87.4000109.5V22 P26 D30 V31 I72 V92 P96 F136 D137 E138V22-Y94 HydrophobicContact CG2-CD1 4.18Å; P26-Y94 HydrophobicContact CB-CD1 3.82Å; P26-Y94 HydrophobicContact CB-CE1 4.07Å; P26-Y94 HydrophobicContact CB-CG 4.16Å; P26-Y94 HydrophobicContact CG-CD1 4.12Å; P26-Y94 HydrophobicContact CG-CD2 4.1Å; P26-Y94 HydrophobicContact CG-CE1 4.29Å; P26-Y94 HydrophobicContact CG-CE2 4.28Å; P26-Y94 HydrophobicContact CG-CG 4.05Å; D30-Y94 HydrophobicContact CB-CE1 4.25Å; D30-Y94 WeakPolarHBondContact O-CE1 3.34Å; V31-Y94 WeakPolarHBondContact CA-OH 3.46Å; I72-Y94 HydrophobicContact CD1-CD1 4.24Å; I72-Y94 HydrophobicContact CD1-CE1 4.18Å; I72-Y94 HydrophobicContact CG1-CD1 3.91Å; I72-Y94 HydrophobicContact CG1-CE1 4.24Å; I72-Y94 HydrophobicContact CG2-CD1 4.04Å; I72-Y94 HydrophobicContact CG2-CE1 3.84Å; V92-Y94 HydrophobicContact CB-CE2 4.14Å; V92-Y94 HydrophobicContact CG1-CD2 4.45Å; V92-Y94 HydrophobicContact CG1-CE1 4.1Å; V92-Y94 HydrophobicContact CG1-CE2 3.78Å; Y94-P96 VanDerWaalsContact C-CD 3.5Å; Y94-F136 WeakPolarHBondContact CB-O 3.34Å; Y94-F136 VanDerWaalsContact CD2-O 3.29Å; Y94-F136 WeakPolarHBondContact CD2-O 3.43Å; Y94-F136 PolarHBondContact N-O 3.44Å; Y94-F136 PolarHBondContact O-N 2.95Å; Y94-D137 VanDerWaalsContact CD2-C 3.45Å; Y94-E138 HydrophobicContact CE2-CB 4.2Å
95N98.7Very high96Very high8 Ų857.7 Ų57.74%0.04332%0.316CS..EExtended strand (participates in β ladder)trans47.649.4-174-58.9-26000114.5E21 V22 R71 F136E21-N95 WeakPolarHBondContact CA-OD1 3.44Å; E21-N95 HydrophobicContact CG-CB 4.5Å; V22-N95 PolarHBondContact N-OD1 2.96Å; V22-N95 PolarHBondContact O-ND2 3.27Å; R71-N95 PolarHBondContact O-N 3.35Å; N95-F136 HydrophobicContact CB-CD2 4.31Å
96P98.8Very high96.7Very high0 Ų053.3 Ų53.30%029%0.288CS..EExtended strand (participates in β ladder)trans-68.5145.3-178.631.5-36.4000111.8R71 I73 M93 Y94 V133 S134 I159 I162R71-P96 WeakPolarHBondContact O-CD 3.36Å; I73-P96 HydrophobicContact CD1-CB 4.11Å; I73-P96 HydrophobicContact CD1-CG 3.74Å; I73-P96 HydrophobicContact CG1-CG 3.96Å; I73-P96 HydrophobicContact CG2-CG 4.44Å; M93-P96 HydrophobicContact CB-CB 3.94Å; M93-P96 HydrophobicContact CB-CG 4.25Å; M93-P96 HydrophobicContact SD-CB 4.35Å; Y94-P96 VanDerWaalsContact C-CD 3.5Å; P96-V133 HydrophobicContact CB-CG1 4.36Å; P96-S134 WeakPolarHBondContact CA-O 3.32Å; P96-I159 HydrophobicContact CB-CD1 4.18Å; P96-I159 HydrophobicContact CB-CG1 4.2Å; P96-I159 HydrophobicContact CG-CG1 4.21Å; P96-I162 HydrophobicContact CG-CD1 3.58Å
97K98.4Very high97.4Very high104 Ų10446.9 Ų46.945%0.45226%0.257SS..EExtended strand (participates in β ladder)trans-149.6143.5172.358.4-175.8169.4-159.20113L99 V133 S134K97-L99 HydrophobicContact CG-CD2 4.28Å; K97-L99 PolarHBondContact O-N 3.05Å; K97-V133 WeakPolarHBondContact O-CA 3.45Å; K97-S134 PolarHBondContact N-O 2.52Å; K97-S134 PolarHBondContact O-N 3.31Å
98I98.7Very high97.8Very high59 Ų5944.9 Ų44.930%0.30325%0.247SC..EExtended strand (participates in β ladder)trans-75.7119171.7-59.2171.9000108.1S100 H101 I131 V133 Q156 I159I98-S100 WeakPolarHBondContact CG2-O 3.36Å; I98-H101 HydrophobicContact CG2-CB 4.45Å; I98-I131 HydrophobicContact CD1-CG2 4.42Å; I98-I131 HydrophobicContact CG2-CB 4.32Å; I98-I131 HydrophobicContact CG2-CG2 4.32Å; I98-V133 HydrophobicContact CG1-CG2 4.36Å; I98-Q156 HydrophobicContact CD1-CG 3.72Å; I98-I159 HydrophobicContact CD1-CD1 4.42Å; I98-I159 HydrophobicContact CD1-CG2 4.45Å; I98-I159 HydrophobicContact CG1-CD1 3.83Å
99L98.6Very high98Very high86 Ų8644.9 Ų44.945%0.4525%0.246SC..EExtended strand (participates in β ladder)trans-86.9-29.5175.1-62.9-174.9000112.6K97 T132 K144K97-L99 HydrophobicContact CG-CD2 4.28Å; K97-L99 PolarHBondContact O-N 3.05Å; L99-T132 HydrophobicContact CB-CG2 4.43Å; L99-T132 HydrophobicContact CD1-CG2 4.49Å; L99-T132 PolarHBondContact N-O 3.5Å; L99-K144 HydrophobicContact CD1-CD 4.17Å; L99-K144 HydrophobicContact CD1-CG 4.28Å
100S98.5Very high97.9Very high61 Ų6152.8 Ų52.843%0.42728%0.283SS..EExtended strand (participates in β ladder)trans-162.5157.4174.562.70000110.7I98 I131 T132I98-S100 WeakPolarHBondContact CG2-O 3.36Å; S100-I131 CarbonylContact O-C 3.24Å; S100-I131 WeakPolarHBondContact O-CA 3.32Å; S100-T132 PolarHBondContact N-O 3.36Å; S100-T132 PolarHBondContact O-N 2.75Å; S100-T132 WeakPolarHBondContact OG-CB 3.19Å; S100-T132 PolarHBondContact OG-OG1 3.32Å
101H98.4Very high97.8Very high135 Ų13550.5 Ų50.563%0.62527%0.269SS*.EExtended strand (participates in β ladder)trans-135.7162178.151.5-109.2000110.6I98 A128 R130 I131I98-H101 HydrophobicContact CG2-CB 4.45Å; H101-A128 HydrophobicContact CB-CB 3.63Å; H101-R130 CarbonylContact C-O 3.27Å; H101-R130 VanDerWaalsContact CA-O 3.31Å; H101-R130 WeakPolarHBondContact CA-O 3.17Å; H101-I131 HydrophobicContact CB-CG2 4.18Å
102S97.9Very high97.8Very high19 Ų1950 Ų5013%0.13326%0.264CS..  trans-80.7149.9173.1540000112.6Q104 A129 R130S102-Q104 PolarHBondContact OG-O 3.45Å; S102-A129 PolarHBondContact OG-N 2.76Å; S102-R130 PolarHBondContact N-O 3.1Å; S102-R130 PolarHBondContact OG-N 3.32Å; S102-R130 PolarHBondContact OG-O 3.16Å
103V97.5Very high97.7Very high148 Ų14852.1 Ų52.190%0.89729%0.29SS*.SBendtrans-65.4-30.1163.8179.50000111.4E105V103-E105 PolarHBondContact O-N 3.21Å
104Q97.7Very high97.6Very high79 Ų7952.7 Ų52.737%0.36929%0.294SS..SBendtrans-60.8116.7170.9-179.562.566.500109.8S102 A129 G182S102-Q104 PolarHBondContact OG-O 3.45Å; Q104-A129 HydrophobicContact CB-CB 4.16Å; Q104-A129 HydrophobicContact CG-CB 3.66Å; Q104-A129 VanDerWaalsContact O-CB 3.3Å; Q104-A129 WeakPolarHBondContact O-CB 3.44Å; Q104-A129 PolarHBondContact O-N 2.66Å; Q104-G182 PolarHBondContact NE2-O 3.2Å
105E97.9Very high97.6Very high67 Ų6752.9 Ų52.931%0.31330%0.295SS..EExtended strand (participates in β ladder)trans-84.3153.4172.2-68.8179.7147.900110.5V103 V126 R127 K180 V183 L184V103-E105 PolarHBondContact O-N 3.21Å; E105-V126 HydrophobicContact CB-CG1 3.71Å; E105-V126 HydrophobicContact CG-CG1 3.97Å; E105-R127 CarbonylContact C-O 3.52Å; E105-R127 VanDerWaalsContact CA-O 3.3Å; E105-R127 WeakPolarHBondContact CA-O 3.47Å; E105-K180 IonicContact OE1-NZ 3.67Å; E105-K180 PolarHBondContact OE1-NZ 3.31Å; E105-K180 IonicContact OE2-NZ 3.64Å; E105-K180 PolarHBondContact OE2-NZ 3.05Å; E105-V183 HydrophobicContact CB-CG1 4.41Å; E105-V183 HydrophobicContact CB-CG2 4.09Å; E105-L184 PolarHBondContact O-N 3.47Å
106A98.1Very high97.6Very high0 Ų052.5 Ų52.50%029%0.293CS..EExtended strand (participates in β ladder)trans-147.9159.9173.300000111.6R127 A129 L184 I186A106-R127 PolarHBondContact N-O 3.28Å; A106-R127 PolarHBondContact O-N 2.91Å; A106-A129 HydrophobicContact CB-CB 3.7Å; A106-L184 CarbonylContact C-O 3.39Å; A106-L184 WeakPolarHBondContact CA-O 3.45Å; A106-L184 HydrophobicContact CB-CB 4Å; A106-L184 HydrophobicContact CB-CG 4.48Å; A106-L184 VanDerWaalsContact CB-O 3.27Å; A106-L184 WeakPolarHBondContact CB-O 3.43Å; A106-I186 HydrophobicContact CB-CD1 3.83Å
107C97.9Very high97.5Very high0 Ų053 Ų530%030%0.296CS..EExtended strand (participates in β ladder)trans-144.1167.1170.763.70000110Y124 V125 L184 I186C107-Y124 HydrophobicContact CB-CD1 4.33Å; C107-V125 WeakPolarHBondContact CA-O 3.37Å; C107-V125 WeakPolarHBondContact CB-O 3.11Å; C107-L184 PolarHBondContact N-O 2.92Å; C107-I186 PolarHBondContact O-N 3.18Å
108L97.5Very high97.5Very high26 Ų2652.2 Ų52.214%0.13630%0.297CS..EExtended strand (participates in β ladder)trans-83.8142.9167.5-57.5-176.2000110.1G111 E112 Y124 Y150 I153 I186L108-G111 VanDerWaalsContact CB-O 3.32Å; L108-G111 WeakPolarHBondContact CB-O 3.46Å; L108-G111 WeakPolarHBondContact CD1-O 3.49Å; L108-G111 PolarHBondContact O-N 3.2Å; L108-E112 HydrophobicContact CD1-CG 4.04Å; L108-Y124 WeakPolarHBondContact O-CD1 3.21Å; L108-Y150 HydrophobicContact CD1-CD2 4.45Å; L108-Y150 HydrophobicContact CD1-CE2 4.11Å; L108-Y150 HydrophobicContact CD2-CD2 3.75Å; L108-Y150 HydrophobicContact CD2-CE2 4.21Å; L108-I153 HydrophobicContact CD1-CG2 4.23Å; L108-I153 HydrophobicContact CD2-CD1 3.67Å; L108-I153 HydrophobicContact CD2-CG2 4.35Å; L108-I153 HydrophobicContact CG-CD1 4.05Å; L108-I153 HydrophobicContact CG-CG2 4.14Å; L108-I186 CarbonylContact C-O 3.54Å; L108-I186 WeakPolarHBondContact CA-O 3.22Å; L108-I186 HydrophobicContact CD2-CB 4.15Å; L108-I186 HydrophobicContact CD2-CG2 4.14Å
109G95.7Very high97.4Very high19 Ų1955.4 Ų55.420%0.19631%0.305CS..THydrogen-bonded Turntrans-62.7-42.1178.500000113G111 Y124 I186G109-G111 VanDerWaalsContact C-N 3.26Å; G109-G111 PolarHBondContact O-N 3.17Å; G109-Y124 WeakPolarHBondContact O-CE1 3.37Å; G109-I186 PolarHBondContact N-O 3.08Å
110E94.2Very high97.2Very high184 Ų18460 Ų6086%0.8633%0.325SS*.THydrogen-bonded Turntrans-81.93.1176.5-61.1-67.8171.900113.6
111G95.8Very high97Very high13 Ų1358.8 Ų58.813%0.13431%0.314CS..  trans75.1-165.3-171.300000113.7L108 G109L108-G111 VanDerWaalsContact CB-O 3.32Å; L108-G111 WeakPolarHBondContact CB-O 3.46Å; L108-G111 WeakPolarHBondContact CD1-O 3.49Å; L108-G111 PolarHBondContact O-N 3.2Å; G109-G111 VanDerWaalsContact C-N 3.26Å; G109-G111 PolarHBondContact O-N 3.17Å
112E97.2Very high96.8Very high21 Ų2157.1 Ų57.110%0.09832%0.315CS..  trans-117145.5177.4-74-179.7-151.300111.7L108 V125 R127 I153 H157 F167L108-E112 HydrophobicContact CD1-CG 4.04Å; E112-V125 HydrophobicContact CB-CB 4.45Å; E112-V125 HydrophobicContact CB-CG2 3.91Å; E112-V125 HydrophobicContact CG-CB 4.06Å; E112-V125 HydrophobicContact CG-CG2 4.09Å; E112-V125 WeakPolarHBondContact OE1-CB 3.35Å; E112-V125 WeakPolarHBondContact OE1-CG1 3.31Å; E112-R127 WeakPolarHBondContact OE1-CD 3.2Å; E112-R127 IonicContact OE1-CZ 3.71Å; E112-R127 IonicContact OE1-NE 2.68Å; E112-R127 PolarHBondContact OE1-NE 3.04Å; E112-R127 IonicContact OE1-NH2 3.31Å; E112-R127 IonicContact OE2-CZ 3.98Å; E112-R127 IonicContact OE2-NE 3.32Å; E112-R127 PolarHBondContact OE2-NE 3.4Å; E112-R127 IonicContact OE2-NH2 3.05Å; E112-R127 PolarHBondContact OE2-NH2 3.25Å; E112-I153 HydrophobicContact CG-CG2 4.49Å; E112-I153 VanDerWaalsContact OE1-CG2 3.32Å; E112-I153 WeakPolarHBondContact OE1-CG2 3.34Å; E112-H157 IonicContact OE2-CE1 2.72Å; E112-H157 IonicContact OE2-CG 3.6Å; E112-H157 IonicContact OE2-ND1 2.6Å; E112-H157 PolarHBondContact OE2-ND1 2.9Å; E112-F167 HydrophobicContact CB-CB 4.37Å; E112-F167 HydrophobicContact CB-CD2 4Å; E112-F167 HydrophobicContact CB-CG 4.26Å; E112-F167 WeakPolarHBondContact O-CE2 3.41Å
113G96.2Very high96.8Very high63 Ų6356.6 Ų56.665%0.64931%0.313SS*.  trans-113.9168165.800000111.3H157G113-H157 PolarHBondContact O-CE1 3.12Å; G113-H157 VanDerWaalsContact O-CE1 3.25Å
114C98Very high96.8Very high11 Ų1152.3 Ų52.37%0.07428%0.281CS..  trans-143144.2177.41740000109.5R56 Q65 S116 V117 H161 F167R56-C114 PolarHBondContact NH2-O 3.01Å; Q65-C114 PolarHBondContact NE2-SG 3.37Å; C114-S116 PolarHBondContact O-N 3.22Å; C114-S116 PolarHBondContact SG-N 2.8Å; C114-S116 VanDerWaalsContact SG-N 3.35Å; C114-V117 HydrophobicContact CB-CB 4.21Å; C114-V117 HydrophobicContact CB-CG2 4.12Å; C114-V117 PolarHBondContact O-N 3.31Å; C114-V117 VanDerWaalsContact O-N 3.15Å; C114-V117 VanDerWaalsContact O-O 3.09Å; C114-H161 PolarHBondContact SG-CE1 3.46Å; C114-H161 PolarHBondContact SG-NE2 3.25Å; C114-F167 HydrophobicContact CB-CD1 3.68Å; C114-F167 HydrophobicContact CB-CE1 3.6Å
115L97.8Very high96.8Very high8 Ų848.6 Ų48.64%0.04226%0.264CS..THydrogen-bonded Turntrans-64.1-20.2176.9-65.9167.5000113.4M4 I7 F40 R56 L61M4-L115 HydrophobicContact CE-CD2 4.47Å; M4-L115 HydrophobicContact SD-CD2 4.38Å; I7-L115 HydrophobicContact CD1-CB 4.09Å; I7-L115 HydrophobicContact CD1-CD1 4.09Å; I7-L115 HydrophobicContact CG2-CB 4.11Å; F40-L115 HydrophobicContact CE1-CD1 3.57Å; F40-L115 HydrophobicContact CZ-CD1 4.09Å; F40-L115 HydrophobicContact CZ-CD2 4.43Å; R56-L115 HydrophobicContact CB-CD2 4.02Å; R56-L115 HydrophobicContact CG-CD2 4.13Å; R56-L115 PolarHBondContact NH2-O 3.22Å; R56-L115 VanDerWaalsContact NH2-O 3.13Å; R56-L115 WeakPolarHBondContact O-CD2 3.26Å; L61-L115 HydrophobicContact CD1-CD1 4.07Å
116S98.3Very high96.8Very high0 Ų047.5 Ų47.50%026%0.261CS..THydrogen-bonded Turntrans-93.21.3177.1-59.50000114.2I8 R9 E10 Q65 C114I8-S116 WeakPolarHBondContact O-CB 3.41Å; I8-S116 PolarHBondContact O-OG 3.44Å; R9-S116 CarbonylContact C-O 3.56Å; R9-S116 WeakPolarHBondContact CA-O 3.26Å; E10-S116 PolarHBondContact N-O 2.93Å; Q65-S116 PolarHBondContact NE2-OG 2.95Å; Q65-S116 VanDerWaalsContact NE2-OG 3.1Å; C114-S116 PolarHBondContact O-N 3.22Å; C114-S116 PolarHBondContact SG-N 2.8Å; C114-S116 VanDerWaalsContact SG-N 3.35Å
117V98.2Very high96.8Very high9 Ų948.1 Ų48.16%0.05526%0.264CS..  trans-125.6114.7-178.6176.40000108.9E10 R56 C114 R119 V121 M166 F167 Y168E10-V117 HydrophobicContact CB-CG2 4.14Å; E10-V117 HydrophobicContact CG-CG2 4.3Å; R56-V117 PolarHBondContact NH2-O 3.05Å; C114-V117 HydrophobicContact CB-CB 4.21Å; C114-V117 HydrophobicContact CB-CG2 4.12Å; C114-V117 PolarHBondContact O-N 3.31Å; C114-V117 VanDerWaalsContact O-N 3.15Å; C114-V117 VanDerWaalsContact O-O 3.09Å; V117-R119 HydrophobicContact CG1-CG 3.98Å; V117-V121 HydrophobicContact CG1-CG2 3.9Å; V117-M166 HydrophobicContact CG2-CE 3.69Å; V117-F167 HydrophobicContact CB-CE1 4.02Å; V117-F167 HydrophobicContact CG1-CE1 4.18Å; V117-F167 HydrophobicContact CG1-CZ 4.23Å; V117-F167 HydrophobicContact CG2-CE1 3.83Å; V117-Y168 HydrophobicContact CG2-CD1 4.26Å; V117-Y168 HydrophobicContact CG2-CE1 3.94Å
118D96.8Very high96.8Very high89 Ų8948.7 Ų48.748%0.47627%0.268SS..  trans-97.8-16-175.1-66.6-29.9000113.5R9 R56R9-D118 WeakPolarHBondContact CD-OD2 3.45Å; R9-D118 IonicContact CZ-OD2 3.32Å; R9-D118 IonicContact NE-OD1 2.81Å; R9-D118 IonicContact NE-OD2 2.75Å; R9-D118 PolarHBondContact NE-OD2 2.89Å; R9-D118 IonicContact NH2-OD2 3.48Å; R56-D118 IonicContact CZ-OD1 3.75Å; R56-D118 IonicContact NH1-OD1 3.58Å; R56-D118 PolarHBondContact NH1-OD1 3.21Å; R56-D118 IonicContact NH2-OD1 3.8Å; R56-D118 PolarHBondContact NH2-OD1 3.43Å
119R96.4Very high96.8Very high125 Ų12547.5 Ų47.547%0.47226%0.262SS..SBendtrans-79.8152.8172.266164-172.9-82.5-20111.1E10 V117 V121E10-R119 IonicContact OE1-CZ 3.03Å; E10-R119 IonicContact OE1-NH1 3.5Å; E10-R119 PolarHBondContact OE1-NH1 3.37Å; E10-R119 IonicContact OE1-NH2 2.71Å; E10-R119 IonicContact OE2-CZ 3.62Å; E10-R119 IonicContact OE2-NH1 3.73Å; E10-R119 PolarHBondContact OE2-NH1 2.97Å; E10-R119 IonicContact OE2-NH2 3.36Å; E10-R119 PolarHBondContact OE2-NH2 3.22Å; V117-R119 HydrophobicContact CG1-CG 3.98Å; R119-V121 HydrophobicContact CG-CG2 3.96Å
120E94.3Very high97Very high184 Ų18453.4 Ų53.486%0.8628%0.279SS*.  trans-63.2139.1161-66.7177.1-177.300109.9
121V95.8Very high97.2Very high35 Ų3544.8 Ų44.821%0.21224%0.239CC..  trans-129.193.2175.2-173.40000108.7V117 R119 G123 F167 I171V117-V121 HydrophobicContact CG1-CG2 3.9Å; R119-V121 HydrophobicContact CG-CG2 3.96Å; V121-G123 PolarHBondContact O-N 3.44Å; V121-F167 HydrophobicContact CB-CE2 3.85Å; V121-F167 HydrophobicContact CB-CZ 3.89Å; V121-F167 HydrophobicContact CG1-CE2 4.03Å; V121-F167 HydrophobicContact CG1-CZ 4.4Å; V121-F167 HydrophobicContact CG2-CE2 4.26Å; V121-F167 HydrophobicContact CG2-CZ 3.81Å; V121-I171 HydrophobicContact CG1-CD1 3.72Å
122P94.2Very high97.3Very high99 Ų9944.9 Ų44.964%0.64324%0.237SC*.  trans-71.5122.9-178.828.2-33.7000110.6P176P122-P176 WeakPolarHBondContact O-CB 3.25Å
123G96.4Very high97.4Very high8 Ų843.9 Ų43.98%0.08223%0.232CC..SBendtrans155.8159.6171.500000114.1V121 P176V121-G123 PolarHBondContact O-N 3.44Å; G123-P176 CarbonylContact C-O 3.43Å; G123-P176 VanDerWaalsContact CA-O 3.23Å; G123-P176 WeakPolarHBondContact CA-O 3.49Å
124Y97.6Very high97.5Very high59 Ų5941.1 Ų41.123%0.23120%0.203CC..  trans-85.2124.5176.3-65.7-64.2000111.6C107 L108 G109 P176 L177 L179C107-Y124 HydrophobicContact CB-CD1 4.33Å; L108-Y124 WeakPolarHBondContact O-CD1 3.21Å; G109-Y124 WeakPolarHBondContact O-CE1 3.37Å; Y124-P176 PolarHBondContact N-O 3.33Å; Y124-L177 HydrophobicContact CE2-CB 4.46Å; Y124-L177 WeakPolarHBondContact CE2-O 3.28Å; Y124-L179 HydrophobicContact CD1-CD1 4.44Å; Y124-L179 HydrophobicContact CD1-CD2 4.49Å; Y124-L179 HydrophobicContact CD2-CD1 3.97Å; Y124-L179 HydrophobicContact CD2-CD2 3.68Å; Y124-L179 HydrophobicContact CD2-CG 3.55Å; Y124-L179 HydrophobicContact CE1-CD1 4.46Å; Y124-L179 HydrophobicContact CE2-CD1 4Å; Y124-L179 HydrophobicContact CE2-CG 3.93Å; Y124-L179 HydrophobicContact CG-CD1 4.19Å; Y124-L179 HydrophobicContact CG-CD2 3.66Å; Y124-L179 HydrophobicContact CG-CG 3.98Å
125V98.2Very high97.6Very high1 Ų141.5 Ų41.51%0.00620%0.203CC..  trans-87.4107.7167.7-176.90000108.1C107 E112 R127 F167 H170 I171C107-V125 WeakPolarHBondContact CA-O 3.37Å; C107-V125 WeakPolarHBondContact CB-O 3.11Å; E112-V125 HydrophobicContact CB-CB 4.45Å; E112-V125 HydrophobicContact CB-CG2 3.91Å; E112-V125 HydrophobicContact CG-CB 4.06Å; E112-V125 HydrophobicContact CG-CG2 4.09Å; E112-V125 WeakPolarHBondContact OE1-CB 3.35Å; E112-V125 WeakPolarHBondContact OE1-CG1 3.31Å; V125-R127 HydrophobicContact CG1-CG 3.99Å; V125-F167 HydrophobicContact CG2-CB 4.17Å; V125-F167 HydrophobicContact CG2-CD2 3.73Å; V125-F167 HydrophobicContact CG2-CG 4.45Å; V125-H170 HydrophobicContact CG1-CB 4.04Å; V125-I171 HydrophobicContact CG2-CD1 4.06Å; V125-I171 HydrophobicContact CG2-CG1 3.84Å
126V97.9Very high97.6Very high43 Ų4343.3 Ų43.326%0.26121%0.21SC..  trans-90.7121.9-178.4-176.70000109.7E105 L179 V183E105-V126 HydrophobicContact CB-CG1 3.71Å; E105-V126 HydrophobicContact CG-CG1 3.97Å; V126-L179 HydrophobicContact CG2-CD2 3.85Å; V126-V183 HydrophobicContact CG1-CG1 4.4Å; V126-V183 HydrophobicContact CG1-CG2 4.44Å
127R98.4Very high97.6Very high13 Ų1344.6 Ų44.65%0.04922%0.217CC..EExtended strand (participates in β ladder)trans-130172.4-177.2-58.8-170.2-179.5-86.95.6111.2E105 A106 E112 V125 A129 I153 D160E105-R127 CarbonylContact C-O 3.52Å; E105-R127 VanDerWaalsContact CA-O 3.3Å; E105-R127 WeakPolarHBondContact CA-O 3.47Å; A106-R127 PolarHBondContact N-O 3.28Å; A106-R127 PolarHBondContact O-N 2.91Å; E112-R127 WeakPolarHBondContact OE1-CD 3.2Å; E112-R127 IonicContact OE1-CZ 3.71Å; E112-R127 IonicContact OE1-NE 2.68Å; E112-R127 PolarHBondContact OE1-NE 3.04Å; E112-R127 IonicContact OE1-NH2 3.31Å; E112-R127 IonicContact OE2-CZ 3.98Å; E112-R127 IonicContact OE2-NE 3.32Å; E112-R127 PolarHBondContact OE2-NE 3.4Å; E112-R127 IonicContact OE2-NH2 3.05Å; E112-R127 PolarHBondContact OE2-NH2 3.25Å; V125-R127 HydrophobicContact CG1-CG 3.99Å; R127-A129 PolarHBondContact O-N 2.88Å; R127-I153 HydrophobicContact CB-CG1 4.36Å; R127-D160 IonicContact CZ-OD2 2.76Å; R127-D160 IonicContact NH1-OD2 3.76Å; R127-D160 PolarHBondContact NH1-OD2 2.76Å; R127-D160 IonicContact NH2-OD2 2.76Å
128A98.5Very high97.6Very high12 Ų1248.6 Ų48.610%0.09924%0.235CC..EExtended strand (participates in β ladder)trans-73129.5171.500000110.9H101 R130 I131 Q156H101-A128 HydrophobicContact CB-CB 3.63Å; A128-R130 PolarHBondContact O-N 3.12Å; A128-I131 HydrophobicContact CB-CG2 4.23Å; A128-Q156 PolarHBondContact O-NE2 3.35Å
129A98Very high97.7Very high1 Ų150.8 Ų50.81%0.00824%0.24CC..SBendtrans-63.9-21.1-179.500000113.8S102 Q104 A106 R127 K148 N149S102-A129 PolarHBondContact OG-N 2.76Å; Q104-A129 HydrophobicContact CB-CB 4.16Å; Q104-A129 HydrophobicContact CG-CB 3.66Å; Q104-A129 VanDerWaalsContact O-CB 3.3Å; Q104-A129 WeakPolarHBondContact O-CB 3.44Å; Q104-A129 PolarHBondContact O-N 2.66Å; A106-A129 HydrophobicContact CB-CB 3.7Å; R127-A129 PolarHBondContact O-N 2.88Å; A129-K148 CarbonylContact O-C 3.55Å; A129-K148 WeakPolarHBondContact O-CA 3.5Å; A129-N149 PolarHBondContact O-N 2.76Å
130R98.4Very high97.7Very high143 Ų14345.6 Ų45.654%0.5423%0.226SC..EExtended strand (participates in β ladder)trans-142.3140.8175.7-60.4-175.8-71.3-101.30.6110.7H101 S102 A128 L147 K148H101-R130 CarbonylContact C-O 3.27Å; H101-R130 VanDerWaalsContact CA-O 3.31Å; H101-R130 WeakPolarHBondContact CA-O 3.17Å; S102-R130 PolarHBondContact N-O 3.1Å; S102-R130 PolarHBondContact OG-N 3.32Å; S102-R130 PolarHBondContact OG-O 3.16Å; A128-R130 PolarHBondContact O-N 3.12Å; R130-L147 VanDerWaalsContact CA-O 3.28Å; R130-L147 WeakPolarHBondContact CA-O 3.48Å; R130-K148 HydrophobicContact CG-CB 3.88Å
131I98.7Very high97.9Very high4 Ų441.8 Ų41.82%0.02121%0.208CC..EExtended strand (participates in β ladder)trans-134151.2176.161.7-179.5000111I98 S100 H101 A128 V133 R146 L147 A152 V155 Q156I98-I131 HydrophobicContact CD1-CG2 4.42Å; I98-I131 HydrophobicContact CG2-CB 4.32Å; I98-I131 HydrophobicContact CG2-CG2 4.32Å; S100-I131 CarbonylContact O-C 3.24Å; S100-I131 WeakPolarHBondContact O-CA 3.32Å; H101-I131 HydrophobicContact CB-CG2 4.18Å; A128-I131 HydrophobicContact CB-CG2 4.23Å; I131-V133 HydrophobicContact CB-CG2 4.43Å; I131-V133 HydrophobicContact CD1-CG2 3.5Å; I131-V133 HydrophobicContact CG1-CG2 3.84Å; I131-R146 WeakPolarHBondContact O-CA 3.29Å; I131-L147 HydrophobicContact CD1-CB 4.49Å; I131-L147 HydrophobicContact CD1-CD1 4.4Å; I131-L147 HydrophobicContact CG1-CB 3.92Å; I131-L147 PolarHBondContact N-O 3.45Å; I131-L147 PolarHBondContact O-N 2.96Å; I131-A152 HydrophobicContact CD1-CB 4.2Å; I131-A152 HydrophobicContact CG1-CB 3.9Å; I131-V155 HydrophobicContact CD1-CB 4.19Å; I131-V155 HydrophobicContact CD1-CG1 4.16Å; I131-Q156 HydrophobicContact CD1-CG 4.06Å; I131-Q156 HydrophobicContact CG2-CG 4.05Å
132T98.7Very high98.1Very high15 Ų1546.7 Ų46.79%0.09223%0.227CC..EExtended strand (participates in β ladder)trans-107.8118.7162-56.20000107.8L99 S100 K144 I145 R146L99-T132 HydrophobicContact CB-CG2 4.43Å; L99-T132 HydrophobicContact CD1-CG2 4.49Å; L99-T132 PolarHBondContact N-O 3.5Å; S100-T132 PolarHBondContact N-O 3.36Å; S100-T132 PolarHBondContact O-N 2.75Å; S100-T132 WeakPolarHBondContact OG-CB 3.19Å; S100-T132 PolarHBondContact OG-OG1 3.32Å; T132-K144 HydrophobicContact CG2-CD 4.34Å; T132-K144 VanDerWaalsContact CG2-CE 3.44Å; T132-K144 HydrophobicContact CG2-CG 3.93Å; T132-I145 CarbonylContact C-O 3.56Å; T132-I145 WeakPolarHBondContact CA-O 3.18Å; T132-R146 HydrophobicContact CG2-CG 4.36Å
133V98.7Very high98.3Very high0 Ų044.9 Ų44.90%021%0.21CC..EExtended strand (participates in β ladder)trans-108.3143.8-179.3179.40000109.2M93 P96 K97 I98 I131 Y135 K144 I145 V155 I159M93-V133 HydrophobicContact SD-CG1 4.18Å; P96-V133 HydrophobicContact CB-CG1 4.36Å; K97-V133 WeakPolarHBondContact O-CA 3.45Å; I98-V133 HydrophobicContact CG1-CG2 4.36Å; I131-V133 HydrophobicContact CB-CG2 4.43Å; I131-V133 HydrophobicContact CD1-CG2 3.5Å; I131-V133 HydrophobicContact CG1-CG2 3.84Å; V133-Y135 HydrophobicContact CG1-CD1 4.46Å; V133-K144 CarbonylContact O-C 3.49Å; V133-K144 WeakPolarHBondContact O-CA 3.47Å; V133-I145 HydrophobicContact CB-CG1 4.04Å; V133-I145 PolarHBondContact N-O 3.23Å; V133-I145 PolarHBondContact O-N 3.4Å; V133-V155 HydrophobicContact CG1-CG1 4.44Å; V133-V155 HydrophobicContact CG2-CG1 3.89Å; V133-I159 HydrophobicContact CG1-CD1 4.21Å; V133-I159 HydrophobicContact CG2-CD1 4.33Å
134S98.7Very high98.4Very high5 Ų551.4 Ų51.44%0.03524%0.236CC..EExtended strand (participates in β ladder)trans-123.6140.2164.3-174.40000109.6P96 K97 K142 H143P96-S134 WeakPolarHBondContact CA-O 3.32Å; K97-S134 PolarHBondContact N-O 2.52Å; K97-S134 PolarHBondContact O-N 3.31Å; S134-K142 VanDerWaalsContact OG-CE 3.23Å; S134-K142 WeakPolarHBondContact OG-CE 3.12Å; S134-H143 VanDerWaalsContact CA-O 3.26Å; S134-H143 WeakPolarHBondContact CA-O 3.32Å; S134-H143 WeakPolarHBondContact CB-O 3.32Å; S134-H143 PolarHBondContact OG-O 3.23Å
135Y98.8Very high98.4Very high18 Ų1850.5 Ų50.57%0.07123%0.234CC..EExtended strand (participates in β ladder)trans-152.5175.4-176.367.3-82.4000109M93 V133 H143 I145M93-Y135 HydrophobicContact CB-CD2 3.62Å; M93-Y135 HydrophobicContact CB-CE2 4.34Å; M93-Y135 HydrophobicContact CB-CG 3.72Å; M93-Y135 HydrophobicContact CE-CE1 4.48Å; M93-Y135 HydrophobicContact CG-CD1 4.07Å; M93-Y135 HydrophobicContact CG-CD2 3.62Å; M93-Y135 HydrophobicContact CG-CE1 4.32Å; M93-Y135 HydrophobicContact CG-CE2 3.89Å; M93-Y135 HydrophobicContact CG-CG 3.72Å; M93-Y135 HydrophobicContact SD-CD1 3.83Å; M93-Y135 HydrophobicContact SD-CD2 4.45Å; M93-Y135 HydrophobicContact SD-CE1 4.19Å; M93-Y135 HydrophobicContact SD-CG 3.98Å; V133-Y135 HydrophobicContact CG1-CD1 4.46Å; Y135-H143 HydrophobicContact CD1-CB 3.88Å; Y135-H143 HydrophobicContact CD2-CB 4.28Å; Y135-H143 HydrophobicContact CE1-CB 3.43Å; Y135-H143 VanDerWaalsContact CE1-CB 3.43Å; Y135-H143 HydrophobicContact CE2-CB 3.9Å; Y135-H143 AromaticContact CE2-CD2 3.95Å; Y135-H143 HydrophobicContact CG-CB 4.28Å; Y135-H143 VanDerWaalsContact CZ-CB 3.45Å; Y135-H143 AromaticContact CZ-CG 3.88Å; Y135-H143 PolarHBondContact N-O 3Å; Y135-H143 PolarHBondContact O-N 2.83Å; Y135-I145 HydrophobicContact CD1-CD1 4.4Å; Y135-I145 HydrophobicContact CD1-CG1 4.47Å; Y135-I145 HydrophobicContact CE1-CD1 3.77Å; Y135-I145 HydrophobicContact CE1-CG1 4Å; Y135-I145 HydrophobicContact CE1-CG2 4.05Å
136F98.8Very high98.3Very high47 Ų4760.6 Ų60.621%0.20627%0.273CS..EExtended strand (participates in β ladder)trans-115.4151.1169.3-59.5-92.3000110.2I24 Y94 N95 G140 E141 K142I24-F136 HydrophobicContact CD1-CB 3.55Å; I24-F136 HydrophobicContact CD1-CD1 4.12Å; I24-F136 HydrophobicContact CD1-CD2 3.43Å; I24-F136 VanDerWaalsContact CD1-CD2 3.43Å; I24-F136 HydrophobicContact CD1-CE2 4.06Å; I24-F136 HydrophobicContact CD1-CG 3.44Å; I24-F136 VanDerWaalsContact CD1-CG 3.44Å; I24-F136 HydrophobicContact CG1-CD1 4.36Å; I24-F136 HydrophobicContact CG1-CD2 3.9Å; I24-F136 HydrophobicContact CG1-CE1 4.44Å; I24-F136 HydrophobicContact CG1-CE2 4Å; I24-F136 HydrophobicContact CG1-CG 4.07Å; I24-F136 HydrophobicContact CG1-CZ 4.26Å; I24-F136 HydrophobicContact CG2-CD1 3.74Å; I24-F136 HydrophobicContact CG2-CE1 3.87Å; I24-F136 HydrophobicContact CG2-CG 4.19Å; I24-F136 HydrophobicContact CG2-CZ 4.43Å; Y94-F136 WeakPolarHBondContact CB-O 3.34Å; Y94-F136 VanDerWaalsContact CD2-O 3.29Å; Y94-F136 WeakPolarHBondContact CD2-O 3.43Å; Y94-F136 PolarHBondContact N-O 3.44Å; Y94-F136 PolarHBondContact O-N 2.95Å; N95-F136 HydrophobicContact CB-CD2 4.31Å; F136-G140 WeakPolarHBondContact CD1-O 3.3Å; F136-E141 VanDerWaalsContact CA-O 3.27Å; F136-E141 WeakPolarHBondContact CA-O 3.41Å; F136-K142 HydrophobicContact CD1-CB 3.83Å; F136-K142 HydrophobicContact CD1-CG 4.18Å; F136-K142 HydrophobicContact CE1-CB 3.7Å; F136-K142 HydrophobicContact CE1-CD 4.1Å; F136-K142 HydrophobicContact CE1-CG 3.87Å; F136-K142 HydrophobicContact CZ-CD 4.25Å; F136-K142 HydrophobicContact CZ-CG 4.29Å
137D98.5Very high98.3Very high27 Ų2759.6 Ų59.614%0.14427%0.265CS..  trans-92.4-173.4173.167.915.5000112.9Y94 K139 G140 E141 H143Y94-D137 VanDerWaalsContact CD2-C 3.45Å; D137-K139 PolarHBondContact O-N 3.49Å; D137-K139 VanDerWaalsContact O-N 3.11Å; D137-K139 WeakPolarHBondContact OD1-CA 3.26Å; D137-K139 WeakPolarHBondContact OD1-CB 3.43Å; D137-K139 PolarHBondContact OD1-N 2.89Å; D137-G140 PolarHBondContact O-N 3.18Å; D137-G140 PolarHBondContact OD1-N 2.84Å; D137-E141 PolarHBondContact N-O 2.87Å; D137-E141 VanDerWaalsContact N-O 3.08Å; D137-E141 PolarHBondContact OD1-N 3.25Å; D137-H143 IonicContact OD2-CD2 3.68Å; D137-H143 IonicContact OD2-CE1 2.66Å; D137-H143 IonicContact OD2-NE2 2.8Å; D137-H143 PolarHBondContact OD2-NE2 2.86Å
138E97.9Very high98.2Very high92 Ų9264.9 Ų64.943%0.4329%0.289SS..THydrogen-bonded Turntrans-60.8-15.7179.258.5170-151.900114.6V31 Y94V31-E138 HydrophobicContact CG1-CB 3.96Å; V31-E138 HydrophobicContact CG2-CB 3.84Å; Y94-E138 HydrophobicContact CE2-CB 4.2Å
139K98.2Very high98Very high135 Ų13567.3 Ų67.359%0.58730%0.3SS*.THydrogen-bonded Turntrans-98.9-2.9176.1-59.4175.6-172.11670112.6D137 E141D137-K139 PolarHBondContact O-N 3.49Å; D137-K139 VanDerWaalsContact O-N 3.11Å; D137-K139 WeakPolarHBondContact OD1-CA 3.26Å; D137-K139 WeakPolarHBondContact OD1-CB 3.43Å; D137-K139 PolarHBondContact OD1-N 2.89Å; K139-E141 VanDerWaalsContact C-N 3.27Å; K139-E141 HydrophobicContact CB-CG 4.13Å; K139-E141 WeakPolarHBondContact CD-OE1 3.32Å
140G98.1Very high97.9Very high17 Ų1771.2 Ų71.218%0.17532%0.315CS..  trans73.815.4-169.900000113.7F136 D137F136-G140 WeakPolarHBondContact CD1-O 3.3Å; D137-G140 PolarHBondContact O-N 3.18Å; D137-G140 PolarHBondContact OD1-N 2.84Å
141E98.5Very high97.9Very high103 Ų10365.7 Ų65.748%0.48130%0.296SS..PPolyproline II helixtrans-74135.1172.9-63.9178.1-159.100109.3F136 D137 K139 H143F136-E141 VanDerWaalsContact CA-O 3.27Å; F136-E141 WeakPolarHBondContact CA-O 3.41Å; D137-E141 PolarHBondContact N-O 2.87Å; D137-E141 VanDerWaalsContact N-O 3.08Å; D137-E141 PolarHBondContact OD1-N 3.25Å; K139-E141 VanDerWaalsContact C-N 3.27Å; K139-E141 HydrophobicContact CB-CG 4.13Å; K139-E141 WeakPolarHBondContact CD-OE1 3.32Å; E141-H143 PolarHBondContact O-CD2 2.85Å; E141-H143 VanDerWaalsContact O-CD2 3.24Å
142K98.6Very high97.8Very high139 Ų13965.5 Ų65.560%0.60430%0.295SS*.EExtended strand (participates in β ladder)trans-89.5117-173.3-171179.1-178.6176.80111.7S134 F136S134-K142 VanDerWaalsContact OG-CE 3.23Å; S134-K142 WeakPolarHBondContact OG-CE 3.12Å; F136-K142 HydrophobicContact CD1-CB 3.83Å; F136-K142 HydrophobicContact CD1-CG 4.18Å; F136-K142 HydrophobicContact CE1-CB 3.7Å; F136-K142 HydrophobicContact CE1-CD 4.1Å; F136-K142 HydrophobicContact CE1-CG 3.87Å; F136-K142 HydrophobicContact CZ-CD 4.25Å; F136-K142 HydrophobicContact CZ-CG 4.29Å
143H98.4Very high97.8Very high61 Ų6164.9 Ų64.928%0.28229%0.291SS..EExtended strand (participates in β ladder)trans-99.3155.3178.5-66.7-75.2000112.3S134 Y135 D137 E141S134-H143 VanDerWaalsContact CA-O 3.26Å; S134-H143 WeakPolarHBondContact CA-O 3.32Å; S134-H143 WeakPolarHBondContact CB-O 3.32Å; S134-H143 PolarHBondContact OG-O 3.23Å; Y135-H143 HydrophobicContact CD1-CB 3.88Å; Y135-H143 HydrophobicContact CD2-CB 4.28Å; Y135-H143 HydrophobicContact CE1-CB 3.43Å; Y135-H143 VanDerWaalsContact CE1-CB 3.43Å; Y135-H143 HydrophobicContact CE2-CB 3.9Å; Y135-H143 AromaticContact CE2-CD2 3.95Å; Y135-H143 HydrophobicContact CG-CB 4.28Å; Y135-H143 VanDerWaalsContact CZ-CB 3.45Å; Y135-H143 AromaticContact CZ-CG 3.88Å; Y135-H143 PolarHBondContact N-O 3Å; Y135-H143 PolarHBondContact O-N 2.83Å; D137-H143 IonicContact OD2-CD2 3.68Å; D137-H143 IonicContact OD2-CE1 2.66Å; D137-H143 IonicContact OD2-NE2 2.8Å; D137-H143 PolarHBondContact OD2-NE2 2.86Å; E141-H143 PolarHBondContact O-CD2 2.85Å; E141-H143 VanDerWaalsContact O-CD2 3.24Å
144K98.4Very high97.8Very high145 Ų14565.2 Ų65.263%0.6329%0.294SS*.EExtended strand (participates in β ladder)trans-143.3109.9172.3-176.7-179.2-176.9177.90109.6L99 T132 V133L99-K144 HydrophobicContact CD1-CD 4.17Å; L99-K144 HydrophobicContact CD1-CG 4.28Å; T132-K144 HydrophobicContact CG2-CD 4.34Å; T132-K144 VanDerWaalsContact CG2-CE 3.44Å; T132-K144 HydrophobicContact CG2-CG 3.93Å; V133-K144 CarbonylContact O-C 3.49Å; V133-K144 WeakPolarHBondContact O-CA 3.47Å
145I97.5Very high97.8Very high39 Ų3965 Ų6520%0.229%0.292CS..EExtended strand (participates in β ladder)trans-115.8152.4-175.859.7175.1000110.9I89 M93 T132 V133 Y135 L147I89-I145 HydrophobicContact CD1-CD1 3.91Å; M93-I145 HydrophobicContact CE-CD1 3.66Å; M93-I145 HydrophobicContact SD-CD1 4.46Å; T132-I145 CarbonylContact C-O 3.56Å; T132-I145 WeakPolarHBondContact CA-O 3.18Å; V133-I145 HydrophobicContact CB-CG1 4.04Å; V133-I145 PolarHBondContact N-O 3.23Å; V133-I145 PolarHBondContact O-N 3.4Å; Y135-I145 HydrophobicContact CD1-CD1 4.4Å; Y135-I145 HydrophobicContact CD1-CG1 4.47Å; Y135-I145 HydrophobicContact CE1-CD1 3.77Å; Y135-I145 HydrophobicContact CE1-CG1 4Å; Y135-I145 HydrophobicContact CE1-CG2 4.05Å; I145-L147 HydrophobicContact CD1-CD1 3.82Å; I145-L147 HydrophobicContact CD1-CD2 4.15Å; I145-L147 HydrophobicContact CD1-CG 4.05Å; I145-L147 HydrophobicContact CG1-CD1 4.44Å; I145-L147 HydrophobicContact CG1-CG 4.32Å
146R97.7Very high97.8Very high214 Ų21465 Ų6581%0.80829%0.293SS*.EExtended strand (participates in β ladder)trans-112124.5170.5-66.1-173.5-177.7-154.52.5108.3I131 T132I131-R146 WeakPolarHBondContact O-CA 3.29Å; T132-R146 HydrophobicContact CG2-CG 4.36Å
147L97.2Very high97.8Very high21 Ų2163.4 Ų63.411%0.1129%0.286CS..EExtended strand (participates in β ladder)trans-117.6153.4-179.7-58.5174.9000109.9I89 R130 I131 I145 N151 A152 V155I89-L147 HydrophobicContact CD1-CD1 4.14Å; I89-L147 HydrophobicContact CD1-CD2 4.04Å; R130-L147 VanDerWaalsContact CA-O 3.28Å; R130-L147 WeakPolarHBondContact CA-O 3.48Å; I131-L147 HydrophobicContact CD1-CB 4.49Å; I131-L147 HydrophobicContact CD1-CD1 4.4Å; I131-L147 HydrophobicContact CG1-CB 3.92Å; I131-L147 PolarHBondContact N-O 3.45Å; I131-L147 PolarHBondContact O-N 2.96Å; I145-L147 HydrophobicContact CD1-CD1 3.82Å; I145-L147 HydrophobicContact CD1-CD2 4.15Å; I145-L147 HydrophobicContact CD1-CG 4.05Å; I145-L147 HydrophobicContact CG1-CD1 4.44Å; I145-L147 HydrophobicContact CG1-CG 4.32Å; L147-N151 HydrophobicContact CB-CB 4.49Å; L147-N151 HydrophobicContact CD2-CB 4.2Å; L147-A152 HydrophobicContact CB-CB 4.1Å; L147-V155 HydrophobicContact CD1-CB 3.8Å; L147-V155 HydrophobicContact CD1-CG1 4.1Å; L147-V155 HydrophobicContact CD1-CG2 3.56Å
148K96.1Very high97.8Very high124 Ų12462.5 Ų62.554%0.53928%0.281SS..EExtended strand (participates in β ladder)trans-139.5156.8179.664177.6179.7177.30110.1A129 R130 Y150 N151 A152A129-K148 CarbonylContact O-C 3.55Å; A129-K148 WeakPolarHBondContact O-CA 3.5Å; R130-K148 HydrophobicContact CG-CB 3.88Å; K148-Y150 PolarHBondContact O-N 2.74Å; K148-N151 PolarHBondContact O-N 3.23Å; K148-A152 PolarHBondContact O-N 3.38Å
149N94.6Very high97.8Very high63 Ų6358.4 Ų58.434%0.33726%0.262SS..Hα-helixtrans50.5-131.7171.7-54.211.7000111A129 N151 A152 I153 I186A129-N149 PolarHBondContact O-N 2.76Å; N149-N151 PolarHBondContact O-N 2.97Å; N149-A152 WeakPolarHBondContact O-CA 3.49Å; N149-A152 WeakPolarHBondContact O-CB 3.38Å; N149-A152 PolarHBondContact O-N 3.09Å; N149-I153 PolarHBondContact O-N 3.44Å; N149-I186 HydrophobicContact CB-CD1 3.76Å; N149-I186 HydrophobicContact CB-CG1 4.4Å
150Y96Very high97.9Very high84 Ų8452.9 Ų52.933%0.32924%0.239SC..Hα-helixtrans-48.5-51.4-178.8-168-96000113.6V59 V77 L108 K148 A152 I153 V154V59-Y150 HydrophobicContact CG1-CE1 4.47Å; V59-Y150 HydrophobicContact CG2-CE1 4.41Å; V77-Y150 HydrophobicContact CG1-CD1 3.89Å; V77-Y150 HydrophobicContact CG1-CE1 3.89Å; V77-Y150 HydrophobicContact CG2-CD1 4.19Å; V77-Y150 HydrophobicContact CG2-CE1 3.87Å; L108-Y150 HydrophobicContact CD1-CD2 4.45Å; L108-Y150 HydrophobicContact CD1-CE2 4.11Å; L108-Y150 HydrophobicContact CD2-CD2 3.75Å; L108-Y150 HydrophobicContact CD2-CE2 4.21Å; K148-Y150 PolarHBondContact O-N 2.74Å; Y150-A152 PolarHBondContact O-N 3.26Å; Y150-I153 WeakPolarHBondContact O-CA 3.42Å; Y150-I153 WeakPolarHBondContact O-CB 3.23Å; Y150-I153 PolarHBondContact O-N 2.73Å; Y150-V154 HydrophobicContact CD1-CG2 3.91Å; Y150-V154 HydrophobicContact CE1-CG2 3.59Å; Y150-V154 WeakPolarHBondContact O-CG2 3.23Å; Y150-V154 PolarHBondContact O-N 2.8Å
151N96.8Very high97.9Very high26 Ų2652.1 Ų52.114%0.13923%0.23CC..Hα-helixtrans-63.7-28.4-179.9-603000112.8N87 I89 L147 K148 N149 V155N87-N151 PolarHBondContact O-ND2 3.13Å; I89-N151 HydrophobicContact CG2-CB 4.25Å; L147-N151 HydrophobicContact CB-CB 4.49Å; L147-N151 HydrophobicContact CD2-CB 4.2Å; K148-N151 PolarHBondContact O-N 3.23Å; N149-N151 PolarHBondContact O-N 2.97Å; N151-V155 WeakPolarHBondContact O-CG2 3.38Å; N151-V155 PolarHBondContact O-N 2.8Å
152A97.8Very high97.9Very high0 Ų047.2 Ų47.20%021%0.207CC..Hα-helixtrans-74.2-38.4172.700000111.7I131 L147 K148 N149 Y150 Q156I131-A152 HydrophobicContact CD1-CB 4.2Å; I131-A152 HydrophobicContact CG1-CB 3.9Å; L147-A152 HydrophobicContact CB-CB 4.1Å; K148-A152 PolarHBondContact O-N 3.38Å; N149-A152 WeakPolarHBondContact O-CA 3.49Å; N149-A152 WeakPolarHBondContact O-CB 3.38Å; N149-A152 PolarHBondContact O-N 3.09Å; Y150-A152 PolarHBondContact O-N 3.26Å; A152-Q156 WeakPolarHBondContact O-CB 3.25Å; A152-Q156 WeakPolarHBondContact O-CG 3.43Å; A152-Q156 PolarHBondContact O-N 2.82Å; A152-Q156 PolarHBondContact O-NE2 3.21Å
153I98.3Very high97.9Very high2 Ų243 Ų431%0.0119%0.192CC..Hα-helixtrans-62.5-52.7176.1-73.3179.5000110.2L108 E112 R127 N149 Y150 V155 Q156 H157 I186L108-I153 HydrophobicContact CD1-CG2 4.23Å; L108-I153 HydrophobicContact CD2-CD1 3.67Å; L108-I153 HydrophobicContact CD2-CG2 4.35Å; L108-I153 HydrophobicContact CG-CD1 4.05Å; L108-I153 HydrophobicContact CG-CG2 4.14Å; E112-I153 HydrophobicContact CG-CG2 4.49Å; E112-I153 VanDerWaalsContact OE1-CG2 3.32Å; E112-I153 WeakPolarHBondContact OE1-CG2 3.34Å; R127-I153 HydrophobicContact CB-CG1 4.36Å; N149-I153 PolarHBondContact O-N 3.44Å; Y150-I153 WeakPolarHBondContact O-CA 3.42Å; Y150-I153 WeakPolarHBondContact O-CB 3.23Å; Y150-I153 PolarHBondContact O-N 2.73Å; I153-V155 PolarHBondContact O-N 2.8Å; I153-Q156 WeakPolarHBondContact O-CB 3.2Å; I153-Q156 PolarHBondContact O-N 3.39Å; I153-Q156 VanDerWaalsContact O-N 3.09Å; I153-H157 PolarHBondContact O-N 3.48Å; I153-I186 HydrophobicContact CD1-CD1 3.72Å
154V98.4Very high97.9Very high8 Ų840.5 Ų40.55%0.04818%0.182CC..Hα-helixtrans-55.5-51.2178.7175.60000111.1V59 V75 V77 Y150 Q156 H157 E158V59-V154 HydrophobicContact CG2-CG1 4Å; V59-V154 HydrophobicContact CG2-CG2 3.67Å; V75-V154 HydrophobicContact CB-CG1 4.45Å; V75-V154 HydrophobicContact CG1-CG1 3.85Å; V77-V154 HydrophobicContact CG2-CG2 4.3Å; Y150-V154 HydrophobicContact CD1-CG2 3.91Å; Y150-V154 HydrophobicContact CE1-CG2 3.59Å; Y150-V154 WeakPolarHBondContact O-CG2 3.23Å; Y150-V154 PolarHBondContact O-N 2.8Å; V154-Q156 VanDerWaalsContact C-N 3.28Å; V154-Q156 PolarHBondContact O-N 2.97Å; V154-H157 WeakPolarHBondContact O-CB 3.22Å; V154-H157 PolarHBondContact O-N 2.61Å; V154-H157 VanDerWaalsContact O-N 3.1Å; V154-E158 WeakPolarHBondContact O-CG 3.41Å; V154-E158 PolarHBondContact O-N 3.21Å
155V98.7Very high97.9Very high0 Ų036.3 Ų36.30%017%0.166CC..Hα-helixtrans-69.8-24.2-179175.40000112.8I73 V75 I89 M93 I131 V133 L147 N151 I153 I159I73-V155 HydrophobicContact CD1-CG1 4.45Å; V75-V155 HydrophobicContact CG1-CG2 4.02Å; V75-V155 HydrophobicContact CG2-CG2 4.31Å; I89-V155 HydrophobicContact CD1-CG2 4.4Å; M93-V155 HydrophobicContact CE-CG1 4.32Å; M93-V155 HydrophobicContact CE-CG2 3.95Å; M93-V155 HydrophobicContact SD-CG1 4.31Å; I131-V155 HydrophobicContact CD1-CB 4.19Å; I131-V155 HydrophobicContact CD1-CG1 4.16Å; V133-V155 HydrophobicContact CG1-CG1 4.44Å; V133-V155 HydrophobicContact CG2-CG1 3.89Å; L147-V155 HydrophobicContact CD1-CB 3.8Å; L147-V155 HydrophobicContact CD1-CG1 4.1Å; L147-V155 HydrophobicContact CD1-CG2 3.56Å; N151-V155 WeakPolarHBondContact O-CG2 3.38Å; N151-V155 PolarHBondContact O-N 2.8Å; I153-V155 PolarHBondContact O-N 2.8Å; V155-I159 HydrophobicContact CG1-CD1 3.83Å; V155-I159 HydrophobicContact CG1-CG1 4.39Å; V155-I159 VanDerWaalsContact O-CB 3.31Å; V155-I159 WeakPolarHBondContact O-CB 3.43Å; V155-I159 WeakPolarHBondContact O-CD1 3.43Å; V155-I159 WeakPolarHBondContact O-CG1 3.45Å; V155-I159 PolarHBondContact O-N 3.22Å; V155-I159 VanDerWaalsContact O-N 3.14Å
156Q98.9Very high98Very high18 Ų1834.5 Ų34.58%0.08416%0.157CC..Hα-helixtrans-69.2-42.9168-86.3163.1113.400111.7I98 A128 I131 A152 I153 V154 I159 D160I98-Q156 HydrophobicContact CD1-CG 3.72Å; A128-Q156 PolarHBondContact O-NE2 3.35Å; I131-Q156 HydrophobicContact CD1-CG 4.06Å; I131-Q156 HydrophobicContact CG2-CG 4.05Å; A152-Q156 WeakPolarHBondContact O-CB 3.25Å; A152-Q156 WeakPolarHBondContact O-CG 3.43Å; A152-Q156 PolarHBondContact O-N 2.82Å; A152-Q156 PolarHBondContact O-NE2 3.21Å; I153-Q156 WeakPolarHBondContact O-CB 3.2Å; I153-Q156 PolarHBondContact O-N 3.39Å; I153-Q156 VanDerWaalsContact O-N 3.09Å; V154-Q156 VanDerWaalsContact C-N 3.28Å; V154-Q156 PolarHBondContact O-N 2.97Å; Q156-I159 PolarHBondContact O-N 3.1Å; Q156-D160 PolarHBondContact O-N 3.47Å
157H98.8Very high98Very high14 Ų1424.6 Ų24.67%0.06512%0.12CC..Hα-helixtrans-57.9-48.3176-168.5118.4000111.8E112 G113 I153 V154 I159 D160 H161 F167E112-H157 IonicContact OE2-CE1 2.72Å; E112-H157 IonicContact OE2-CG 3.6Å; E112-H157 IonicContact OE2-ND1 2.6Å; E112-H157 PolarHBondContact OE2-ND1 2.9Å; G113-H157 PolarHBondContact O-CE1 3.12Å; G113-H157 VanDerWaalsContact O-CE1 3.25Å; I153-H157 PolarHBondContact O-N 3.48Å; V154-H157 WeakPolarHBondContact O-CB 3.22Å; V154-H157 PolarHBondContact O-N 2.61Å; V154-H157 VanDerWaalsContact O-N 3.1Å; H157-I159 VanDerWaalsContact C-N 3.35Å; H157-I159 PolarHBondContact O-N 2.97Å; H157-D160 WeakPolarHBondContact O-CB 3.2Å; H157-D160 PolarHBondContact O-N 2.81Å; H157-H161 AromaticContact CD2-CD2 3.81Å; H157-H161 AromaticContact CD2-NE2 3.57Å; H157-H161 AromaticContact NE2-NE2 3.37Å; H157-H161 PolarHBondContact NE2-NE2 2.81Å; H157-H161 PolarHBondContact O-N 3.48Å; H157-F167 AromaticContact CE1-CD1 3.83Å
158E98.8Very high98.1Very high8 Ų825.9 Ų25.94%0.03712%0.124CC..Hα-helixtrans-67.5-34.5178.4-57.9-41.9129.800113G60 L61 A62 I73 V75 V154 D160 H161 I162G60-E158 VanDerWaalsContact C-CD 3.49Å; G60-E158 VanDerWaalsContact CA-OE1 3.31Å; G60-E158 WeakPolarHBondContact CA-OE1 3.32Å; L61-E158 WeakPolarHBondContact CA-OE2 3.47Å; L61-E158 PolarHBondContact N-OE2 3.34Å; L61-E158 VanDerWaalsContact N-OE2 3.16Å; A62-E158 PolarHBondContact N-OE2 2.84Å; A62-E158 VanDerWaalsContact N-OE2 3.12Å; I73-E158 HydrophobicContact CB-CB 3.81Å; I73-E158 HydrophobicContact CB-CG 4.49Å; I73-E158 HydrophobicContact CD1-CB 3.72Å; I73-E158 HydrophobicContact CG1-CB 4.29Å; I73-E158 HydrophobicContact CG2-CB 3.79Å; I73-E158 WeakPolarHBondContact CG2-O 3.41Å; V75-E158 HydrophobicContact CG1-CG 3.79Å; V154-E158 WeakPolarHBondContact O-CG 3.41Å; V154-E158 PolarHBondContact O-N 3.21Å; E158-D160 VanDerWaalsContact C-N 3.32Å; E158-H161 PolarHBondContact O-N 3.09Å; E158-H161 IonicContact OE2-CD2 3.46Å; E158-I162 PolarHBondContact O-N 2.84Å
159I98.9Very high98.1Very high6 Ų623.5 Ų23.53%0.03112%0.117CC..Hα-helixtrans-69.2-31.9174.7-73.7173.6000111.3I73 P96 I98 V133 V155 Q156 H157 I162 N163I73-I159 HydrophobicContact CD1-CG1 4.1Å; P96-I159 HydrophobicContact CB-CD1 4.18Å; P96-I159 HydrophobicContact CB-CG1 4.2Å; P96-I159 HydrophobicContact CG-CG1 4.21Å; I98-I159 HydrophobicContact CD1-CD1 4.42Å; I98-I159 HydrophobicContact CD1-CG2 4.45Å; I98-I159 HydrophobicContact CG1-CD1 3.83Å; V133-I159 HydrophobicContact CG1-CD1 4.21Å; V133-I159 HydrophobicContact CG2-CD1 4.33Å; V155-I159 HydrophobicContact CG1-CD1 3.83Å; V155-I159 HydrophobicContact CG1-CG1 4.39Å; V155-I159 VanDerWaalsContact O-CB 3.31Å; V155-I159 WeakPolarHBondContact O-CB 3.43Å; V155-I159 WeakPolarHBondContact O-CD1 3.43Å; V155-I159 WeakPolarHBondContact O-CG1 3.45Å; V155-I159 PolarHBondContact O-N 3.22Å; V155-I159 VanDerWaalsContact O-N 3.14Å; Q156-I159 PolarHBondContact O-N 3.1Å; H157-I159 VanDerWaalsContact C-N 3.35Å; H157-I159 PolarHBondContact O-N 2.97Å; I159-I162 WeakPolarHBondContact O-CG1 3.42Å; I159-N163 PolarHBondContact O-N 3.39Å; I159-N163 PolarHBondContact O-ND2 3.29Å
160D98.8Very high98.3Very high19 Ų1924.2 Ų24.210%0.10212%0.118CC..Hα-helixtrans-65.1-43.2174.2-79.3-15000111.8R127 Q156 H157 E158 I162 N163 G164 I165 H170R127-D160 IonicContact CZ-OD2 2.76Å; R127-D160 IonicContact NH1-OD2 3.76Å; R127-D160 PolarHBondContact NH1-OD2 2.76Å; R127-D160 IonicContact NH2-OD2 2.76Å; Q156-D160 PolarHBondContact O-N 3.47Å; H157-D160 WeakPolarHBondContact O-CB 3.2Å; H157-D160 PolarHBondContact O-N 2.81Å; E158-D160 VanDerWaalsContact C-N 3.32Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-I162 PolarHBondContact O-N 3.11Å; D160-N163 CarbonylContact O-C 3.56Å; D160-N163 WeakPolarHBondContact O-CA 3.44Å; D160-N163 WeakPolarHBondContact O-CB 3.35Å; D160-N163 PolarHBondContact O-N 3.43Å; D160-G164 PolarHBondContact O-N 3.47Å; D160-G164 VanDerWaalsContact O-N 3.12Å; D160-I165 CarbonylContact C-O 3.49Å; D160-I165 VanDerWaalsContact C-O 3.27Å; D160-I165 HydrophobicContact CB-CB 3.78Å; D160-I165 HydrophobicContact CB-CG2 3.92Å; D160-I165 PolarHBondContact O-N 2.71Å; D160-H170 IonicContact OD1-NE2 3.36Å; D160-H170 IonicContact OD2-CD2 2.74Å; D160-H170 IonicContact OD2-CE1 2.74Å; D160-H170 IonicContact OD2-NE2 2.7Å; D160-H170 PolarHBondContact OD2-NE2 3.32Å
161H98.8Very high98.4Very high0 Ų021.1 Ų21.10%011%0.107CC..Hα-helixtrans-56.6-43.3176.3-80.1-33.3000113.2A62 Q65 C114 H157 E158 N163 G164 I165A62-H161 HydrophobicContact CB-CB 3.48Å; A62-H161 VanDerWaalsContact CB-CB 3.48Å; Q65-H161 VanDerWaalsContact CD-CD2 3.41Å; Q65-H161 PolarHBondContact NE2-NE2 3.26Å; Q65-H161 PolarHBondContact OE1-CD2 3.34Å; Q65-H161 VanDerWaalsContact OE1-CD2 3.28Å; C114-H161 PolarHBondContact SG-CE1 3.46Å; C114-H161 PolarHBondContact SG-NE2 3.25Å; H157-H161 AromaticContact CD2-CD2 3.81Å; H157-H161 AromaticContact CD2-NE2 3.57Å; H157-H161 AromaticContact NE2-NE2 3.37Å; H157-H161 PolarHBondContact NE2-NE2 2.81Å; H157-H161 PolarHBondContact O-N 3.48Å; E158-H161 PolarHBondContact O-N 3.09Å; E158-H161 IonicContact OE2-CD2 3.46Å; H161-N163 PolarHBondContact O-N 2.86Å; H161-G164 PolarHBondContact O-N 2.93Å; H161-I165 PolarHBondContact N-O 2.92Å
162I98.8Very high98.3Very high0 Ų023.5 Ų23.50%012%0.119CC..THydrogen-bonded Turntrans-73.3-3.8175.966.2171.9000113.8A19 A62 P64 R71 I73 P96 E158 I159 D160A19-I162 HydrophobicContact CB-CB 4.07Å; A19-I162 WeakPolarHBondContact CB-O 3.41Å; A19-I162 PolarHBondContact N-O 3.46Å; A62-I162 HydrophobicContact CB-CG2 4.23Å; P64-I162 HydrophobicContact CG-CG2 4.06Å; R71-I162 HydrophobicContact CB-CD1 4.08Å; R71-I162 HydrophobicContact CG-CB 4.3Å; R71-I162 HydrophobicContact CG-CD1 4.23Å; R71-I162 PolarHBondContact NH1-O 3.05Å; I73-I162 HydrophobicContact CG2-CD1 4.47Å; I73-I162 HydrophobicContact CG2-CG2 3.74Å; P96-I162 HydrophobicContact CG-CD1 3.58Å; E158-I162 PolarHBondContact O-N 2.84Å; I159-I162 WeakPolarHBondContact O-CG1 3.42Å; D160-I162 VanDerWaalsContact C-N 3.34Å; D160-I162 PolarHBondContact O-N 3.11Å
163N98.8Very high98Very high52 Ų5232.4 Ų32.428%0.27816%0.161SC..THydrogen-bonded Turntrans-110.35.7173.7-59.1-30.5000112.7R71 I159 D160 H161 I165R71-N163 PolarHBondContact NH1-OD1 3.45Å; R71-N163 PolarHBondContact NH2-OD1 2.75Å; I159-N163 PolarHBondContact O-N 3.39Å; I159-N163 PolarHBondContact O-ND2 3.29Å; D160-N163 CarbonylContact O-C 3.56Å; D160-N163 WeakPolarHBondContact O-CA 3.44Å; D160-N163 WeakPolarHBondContact O-CB 3.35Å; D160-N163 PolarHBondContact O-N 3.43Å; H161-N163 PolarHBondContact O-N 2.86Å; N163-I165 HydrophobicContact CB-CD1 4.29Å
164G98.5Very high97.9Very high8 Ų841.6 Ų41.68%0.08220%0.201CC..THydrogen-bonded Turntrans78.515-179.700000115.2L15 R16 A17 D160 H161L15-G164 CarbonylContact O-C 3.52Å; L15-G164 WeakPolarHBondContact O-CA 3.48Å; R16-G164 WeakPolarHBondContact CD-O 3.44Å; R16-G164 PolarHBondContact NH1-O 3.03Å; A17-G164 WeakPolarHBondContact O-CA 3.36Å; A17-G164 PolarHBondContact O-N 2.74Å; D160-G164 PolarHBondContact O-N 3.47Å; D160-G164 VanDerWaalsContact O-N 3.12Å; H161-G164 PolarHBondContact O-N 2.93Å
165I98.7Very high97.7Very high57 Ų5745.1 Ų45.129%0.29222%0.219SC..  trans-102.4136.9-177.8-60169.1000108.7D160 H161 N163 D169D160-I165 CarbonylContact C-O 3.49Å; D160-I165 VanDerWaalsContact C-O 3.27Å; D160-I165 HydrophobicContact CB-CB 3.78Å; D160-I165 HydrophobicContact CB-CG2 3.92Å; D160-I165 PolarHBondContact O-N 2.71Å; H161-I165 PolarHBondContact N-O 2.92Å; N163-I165 HydrophobicContact CB-CD1 4.29Å; I165-D169 HydrophobicContact CG2-CB 4.33Å
166M98.5Very high97.5Very high1 Ų147.1 Ų47.11%0.00523%0.233CC..  trans-105.4149.2173.5-60.4-62.4-69.400109.3E10 L15 V117 Y168 D169E10-M166 HydrophobicContact CB-CE 4.45Å; L15-M166 HydrophobicContact CB-SD 4.11Å; V117-M166 HydrophobicContact CG2-CE 3.69Å; M166-Y168 HydrophobicContact CB-CD1 3.83Å; M166-Y168 HydrophobicContact CB-CD2 4.36Å; M166-Y168 HydrophobicContact CB-CE1 3.5Å; M166-Y168 HydrophobicContact CB-CE2 4.1Å; M166-Y168 HydrophobicContact CB-CG 4.24Å; M166-Y168 HydrophobicContact CE-CE1 4.05Å; M166-Y168 HydrophobicContact CG-CE1 3.91Å; M166-Y168 PolarHBondContact O-N 3.15Å; M166-D169 PolarHBondContact N-OD2 3.43Å; M166-D169 WeakPolarHBondContact O-CB 3.47Å; M166-D169 PolarHBondContact O-N 2.79Å
167F98.5Very high97.3Very high5 Ų551.8 Ų51.82%0.02226%0.257CS..G310 helixtrans-52-36.5-178.774.5-91.7000113.4E112 C114 V117 V121 V125 H157 D169 H170 I171E112-F167 HydrophobicContact CB-CB 4.37Å; E112-F167 HydrophobicContact CB-CD2 4Å; E112-F167 HydrophobicContact CB-CG 4.26Å; E112-F167 WeakPolarHBondContact O-CE2 3.41Å; C114-F167 HydrophobicContact CB-CD1 3.68Å; C114-F167 HydrophobicContact CB-CE1 3.6Å; V117-F167 HydrophobicContact CB-CE1 4.02Å; V117-F167 HydrophobicContact CG1-CE1 4.18Å; V117-F167 HydrophobicContact CG1-CZ 4.23Å; V117-F167 HydrophobicContact CG2-CE1 3.83Å; V121-F167 HydrophobicContact CB-CE2 3.85Å; V121-F167 HydrophobicContact CB-CZ 3.89Å; V121-F167 HydrophobicContact CG1-CE2 4.03Å; V121-F167 HydrophobicContact CG1-CZ 4.4Å; V121-F167 HydrophobicContact CG2-CE2 4.26Å; V121-F167 HydrophobicContact CG2-CZ 3.81Å; V125-F167 HydrophobicContact CG2-CB 4.17Å; V125-F167 HydrophobicContact CG2-CD2 3.73Å; V125-F167 HydrophobicContact CG2-CG 4.45Å; H157-F167 AromaticContact CE1-CD1 3.83Å; F167-D169 PolarHBondContact O-N 2.72Å; F167-H170 PolarHBondContact O-N 3.43Å; F167-I171 HydrophobicContact CD2-CD1 4.3Å; F167-I171 HydrophobicContact CE2-CD1 4.27Å
168Y97.8Very high97.1Very high49 Ų4956.1 Ų56.119%0.19228%0.278CS..G310 helixtrans-72.2-14.4-177.561.3-108.6000113.9E10 R16 V117 M166 H170 I171E10-Y168 WeakPolarHBondContact OE2-CE1 3.21Å; E10-Y168 PolarHBondContact OE2-OH 2.81Å; R16-Y168 PolarHBondContact NH2-OH 2.8Å; R16-Y168 VanDerWaalsContact NH2-OH 3.1Å; V117-Y168 HydrophobicContact CG2-CD1 4.26Å; V117-Y168 HydrophobicContact CG2-CE1 3.94Å; M166-Y168 HydrophobicContact CB-CD1 3.83Å; M166-Y168 HydrophobicContact CB-CD2 4.36Å; M166-Y168 HydrophobicContact CB-CE1 3.5Å; M166-Y168 HydrophobicContact CB-CE2 4.1Å; M166-Y168 HydrophobicContact CB-CG 4.24Å; M166-Y168 HydrophobicContact CE-CE1 4.05Å; M166-Y168 HydrophobicContact CG-CE1 3.91Å; M166-Y168 PolarHBondContact O-N 3.15Å; Y168-H170 PolarHBondContact O-N 3.43Å; Y168-I171 PolarHBondContact O-N 3.13Å
169D98Very high96.9Very high74 Ų7457.6 Ų57.640%0.39629%0.285SS..G310 helixtrans-70.2-18.8173.2-53.4-33.1000112.1R16 I165 M166 F167R16-D169 IonicContact CZ-OD1 3.12Å; R16-D169 IonicContact CZ-OD2 3.46Å; R16-D169 IonicContact NH1-OD1 2.75Å; R16-D169 PolarHBondContact NH1-OD1 2.75Å; R16-D169 IonicContact NH1-OD2 3.68Å; R16-D169 PolarHBondContact NH1-OD2 2.9Å; R16-D169 IonicContact NH2-OD1 2.8Å; R16-D169 PolarHBondContact NH2-OD1 3.26Å; R16-D169 IonicContact NH2-OD2 3.61Å; R16-D169 PolarHBondContact NH2-OD2 3.24Å; I165-D169 HydrophobicContact CG2-CB 4.33Å; M166-D169 PolarHBondContact N-OD2 3.43Å; M166-D169 WeakPolarHBondContact O-CB 3.47Å; M166-D169 PolarHBondContact O-N 2.79Å; F167-D169 PolarHBondContact O-N 2.72Å
170H97.6Very high96.6Very high77 Ų7763.5 Ų63.536%0.35631%0.311SS..G310 helixtrans-88.7-8.3174.6-61.2-81.9000113.2V125 D160 F167 Y168V125-H170 HydrophobicContact CG1-CB 4.04Å; D160-H170 IonicContact OD1-NE2 3.36Å; D160-H170 IonicContact OD2-CD2 2.74Å; D160-H170 IonicContact OD2-CE1 2.74Å; D160-H170 IonicContact OD2-NE2 2.7Å; D160-H170 PolarHBondContact OD2-NE2 3.32Å; F167-H170 PolarHBondContact O-N 3.43Å; Y168-H170 PolarHBondContact O-N 3.43Å
171I97.5Very high96.4Very high19 Ų1970.8 Ų70.810%0.09735%0.35CS..SBendtrans-79.7134.5-178.9-62.9176.3000109.3V121 V125 F167 Y168 E173 P176V121-I171 HydrophobicContact CG1-CD1 3.72Å; V125-I171 HydrophobicContact CG2-CD1 4.06Å; V125-I171 HydrophobicContact CG2-CG1 3.84Å; F167-I171 HydrophobicContact CD2-CD1 4.3Å; F167-I171 HydrophobicContact CE2-CD1 4.27Å; Y168-I171 PolarHBondContact O-N 3.13Å; I171-E173 PolarHBondContact O-N 3.36Å; I171-P176 HydrophobicContact CG2-CB 3.54Å
172N94.5Very high96.2Very high76 Ų7673.7 Ų73.741%0.40638%0.38SS..  trans-70.998.1176.9178.8-3.5000111.2K174 N175 P176N172-K174 PolarHBondContact O-N 3.48Å; N172-K174 PolarHBondContact OD1-N 3.14Å; N172-N175 CarbonylContact O-C 3.6Å; N172-N175 PolarHBondContact O-N 3.15Å; N172-N175 PolarHBondContact OD1-N 3.17Å; N172-P176 VanDerWaalsContact O-CA 3.25Å; N172-P176 WeakPolarHBondContact O-CA 3.33Å; N172-P176 WeakPolarHBondContact O-CD 3.25Å
173E93.1Very high96.1Very high187 Ų18774.6 Ų74.687%0.87439%0.385SS*.THydrogen-bonded Turntrans-46.8-33.2179.7-61.1-177.4157.500114.7I171I171-E173 PolarHBondContact O-N 3.36Å
174K94.6Very high96Very high196 Ų19675.5 Ų75.585%0.85239%0.39SS*.THydrogen-bonded Turntrans-86.7-24.4-176.7-66.2-179.5-178.8174.80113.5N172N172-K174 PolarHBondContact O-N 3.48Å; N172-K174 PolarHBondContact OD1-N 3.14Å
175N94.8Very high95.9Very high81 Ų8177.5 Ų77.543%0.43340%0.4SS..  trans-156.373.5-178.3-160.9-11.1000110N172 L177 H178N172-N175 CarbonylContact O-C 3.6Å; N172-N175 PolarHBondContact O-N 3.15Å; N172-N175 PolarHBondContact OD1-N 3.17Å; N175-L177 PolarHBondContact O-N 3.36Å; N175-H178 HydrophobicContact CB-CB 3.95Å; N175-H178 WeakPolarHBondContact ND2-CB 3.48Å; N175-H178 PolarHBondContact O-N 2.88Å; N175-H178 VanDerWaalsContact O-N 3.12Å; N175-H178 WeakPolarHBondContact OD1-CB 3.27Å
176P95.1Very high95.7Very high43 Ų4375.8 Ų75.828%0.27939%0.391SS..THydrogen-bonded Turntrans-67.1-22.6-167.624.3-34.8000113.6P122 G123 Y124 I171 N172P122-P176 WeakPolarHBondContact O-CB 3.25Å; G123-P176 CarbonylContact C-O 3.43Å; G123-P176 VanDerWaalsContact CA-O 3.23Å; G123-P176 WeakPolarHBondContact CA-O 3.49Å; Y124-P176 PolarHBondContact N-O 3.33Å; I171-P176 HydrophobicContact CG2-CB 3.54Å; N172-P176 VanDerWaalsContact O-CA 3.25Å; N172-P176 WeakPolarHBondContact O-CA 3.33Å; N172-P176 WeakPolarHBondContact O-CD 3.25Å
177L94.6Very high95.1Very high115 Ų11585.4 Ų85.460%0.60244%0.436SS*.THydrogen-bonded Turntrans-96.75.9179-57.6176.9000113.2Y124 N175Y124-L177 HydrophobicContact CE2-CB 4.46Å; Y124-L177 WeakPolarHBondContact CE2-O 3.28Å; N175-L177 PolarHBondContact O-N 3.36Å
178H95.3Very high95Very high106 Ų10689.5 Ų89.549%0.49146%0.457SS..PPolyproline II helixtrans-92.7118178.3173.265.4000112.1N175N175-H178 HydrophobicContact CB-CB 3.95Å; N175-H178 WeakPolarHBondContact ND2-CB 3.48Å; N175-H178 PolarHBondContact O-N 2.88Å; N175-H178 VanDerWaalsContact O-N 3.12Å; N175-H178 WeakPolarHBondContact OD1-CB 3.27Å
179L94.1Very high94.8Very high38 Ų3891.6 Ų91.620%0.19947%0.471CS..PPolyproline II helixtrans-97.7144.6167.9-63.7177.9000110.7Y124 V126 V183 V185Y124-L179 HydrophobicContact CD1-CD1 4.44Å; Y124-L179 HydrophobicContact CD1-CD2 4.49Å; Y124-L179 HydrophobicContact CD2-CD1 3.97Å; Y124-L179 HydrophobicContact CD2-CD2 3.68Å; Y124-L179 HydrophobicContact CD2-CG 3.55Å; Y124-L179 HydrophobicContact CE1-CD1 4.46Å; Y124-L179 HydrophobicContact CE2-CD1 4Å; Y124-L179 HydrophobicContact CE2-CG 3.93Å; Y124-L179 HydrophobicContact CG-CD1 4.19Å; Y124-L179 HydrophobicContact CG-CD2 3.66Å; Y124-L179 HydrophobicContact CG-CG 3.98Å; V126-L179 HydrophobicContact CG2-CD2 3.85Å; L179-V183 HydrophobicContact CB-CB 4.42Å; L179-V183 HydrophobicContact CD2-CB 4.45Å; L179-V183 HydrophobicContact CD2-CG1 4.11Å; L179-V185 HydrophobicContact CD1-CG2 3.59Å
180K92.5Very high94.6Very high130 Ų13092.6 Ų92.657%0.56548%0.475SS*.PPolyproline II helixtrans-72.4156.5167.8-56.7172.6-160.2147.20109.7E105 G182 V183E105-K180 IonicContact OE1-NZ 3.67Å; E105-K180 PolarHBondContact OE1-NZ 3.31Å; E105-K180 IonicContact OE2-NZ 3.64Å; E105-K180 PolarHBondContact OE2-NZ 3.05Å; K180-G182 PolarHBondContact O-N 3.15Å; K180-V183 HydrophobicContact CB-CG2 4.27Å; K180-V183 WeakPolarHBondContact O-CG2 3.28Å; K180-V183 PolarHBondContact O-N 2.89Å
181D93.9Very high94.5Very high172 Ų17293.5 Ų93.592%0.9248%0.482SS*.THydrogen-bonded Turntrans-55132.2171.9-67.1-31.4000111.3
182G94.4Very high94.3Very high61 Ų6198.1 Ų98.163%0.62951%0.506SS*.THydrogen-bonded Turntrans86.2-0176.200000116.1Q104 K180 L184Q104-G182 PolarHBondContact NE2-O 3.2Å; K180-G182 PolarHBondContact O-N 3.15Å; G182-L184 PolarHBondContact O-N 2.82Å
183V96.8Very high94.3Very high19 Ų1999.6 Ų99.612%0.11551%0.513CS..  trans-63.8130.1167.4-179.90000109.3E105 V126 L179 K180 V185E105-V183 HydrophobicContact CB-CG1 4.41Å; E105-V183 HydrophobicContact CB-CG2 4.09Å; V126-V183 HydrophobicContact CG1-CG1 4.4Å; V126-V183 HydrophobicContact CG1-CG2 4.44Å; L179-V183 HydrophobicContact CB-CB 4.42Å; L179-V183 HydrophobicContact CD2-CB 4.45Å; L179-V183 HydrophobicContact CD2-CG1 4.11Å; K180-V183 HydrophobicContact CB-CG2 4.27Å; K180-V183 WeakPolarHBondContact O-CG2 3.28Å; K180-V183 PolarHBondContact O-N 2.89Å; V183-V185 PolarHBondContact O-N 3.32Å
184L97.1Very high94.3Very high71 Ų7193.4 Ų93.437%0.37249%0.487SS..EExtended strand (participates in β ladder)trans-80.8108.4176.6175.165.7000110.1E105 A106 C107 G182 I186E105-L184 PolarHBondContact O-N 3.47Å; A106-L184 CarbonylContact C-O 3.39Å; A106-L184 WeakPolarHBondContact CA-O 3.45Å; A106-L184 HydrophobicContact CB-CB 4Å; A106-L184 HydrophobicContact CB-CG 4.48Å; A106-L184 VanDerWaalsContact CB-O 3.27Å; A106-L184 WeakPolarHBondContact CB-O 3.43Å; C107-L184 PolarHBondContact N-O 2.92Å; G182-L184 PolarHBondContact O-N 2.82Å; L184-I186 HydrophobicContact CD2-CG1 4.35Å; L184-I186 HydrophobicContact CG-CG1 4.2Å
185V97.2Very high94.3Very high51 Ų5185.5 Ų85.531%0.30946%0.459SS..EExtended strand (participates in β ladder)trans-74131.7167.5-1700000108.8L179 V183 E187L179-V185 HydrophobicContact CD1-CG2 3.59Å; V183-V185 PolarHBondContact O-N 3.32Å; V185-E187 WeakPolarHBondContact CG1-OE1 3.41Å
186I93.9Very high94.3Very high20 Ų2085.8 Ų85.810%0.10346%0.461CS..EExtended strand (participates in β ladder)trans-113.1115176.5-63159.4000107.1A106 C107 L108 G109 N149 I153 L184A106-I186 HydrophobicContact CB-CD1 3.83Å; C107-I186 PolarHBondContact O-N 3.18Å; L108-I186 CarbonylContact C-O 3.54Å; L108-I186 WeakPolarHBondContact CA-O 3.22Å; L108-I186 HydrophobicContact CD2-CB 4.15Å; L108-I186 HydrophobicContact CD2-CG2 4.14Å; G109-I186 PolarHBondContact N-O 3.08Å; N149-I186 HydrophobicContact CB-CD1 3.76Å; N149-I186 HydrophobicContact CB-CG1 4.4Å; I153-I186 HydrophobicContact CD1-CD1 3.72Å; L184-I186 HydrophobicContact CD2-CG1 4.35Å; L184-I186 HydrophobicContact CG-CG1 4.2Å
187E86.6Confident94.2Very high204 Ų20489.7 Ų89.795%0.95348%0.478SS*.  trans-82.60168.1-43-63.315400110.3V185V185-E187 WeakPolarHBondContact CG1-OE1 3.41Å

Retrieved 187 of 187 residues in 381.1 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).