A0A096M9G1_POEFO Loading...

Arp2/3 complex 34 kDa subunit

Functions as actin-binding component of the Arp2/3 complex which is involved in regulation of actin polymerization and together with an activating nucleation-promoting factor (NPF) mediates the formation of branched actin networks.

AlphaFold DB , UniProt , Accession A0A096M9G1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 299 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
1M82.3Confident95.6Very high132 Ų13270.1 Ų70.165%0.6534%0.34SS*.  0119.40-173.5172.28100107.5L3 L4 E5M1-L3 WeakPolarHBondContact CG-O 3.43Å; M1-L4 HydrophobicContact CE-CD2 3.99Å; M1-E5 HydrophobicContact SD-CG 4.04Å
2I93.4Very high95.8Very high123 Ų12367.3 Ų67.363%0.63133%0.325SS*.  trans-97.9-61.6-179.8-64.2173.3000109.4Y250 H254I2-Y250 HydrophobicContact CG2-CE2 4.41Å; I2-Y250 VanDerWaalsContact O-CE2 3.28Å; I2-Y250 WeakPolarHBondContact O-CE2 3.3Å; I2-H254 PolarHBondContact O-CE1 3.33Å; I2-H254 PolarHBondContact O-NE2 2.92Å
3L95.7Very high96Very high106 Ų10671.8 Ų71.856%0.55535%0.346SS*.SBendtrans-75143.7170.4-62.2177.2000109.4M1 L243 Y250M1-L3 WeakPolarHBondContact CG-O 3.43Å; L3-L243 HydrophobicContact CD1-CD2 4.13Å; L3-L243 HydrophobicContact CD2-CD2 4.36Å; L3-Y250 HydrophobicContact CD2-CD2 4.26Å; L3-Y250 HydrophobicContact CD2-CE2 3.87Å
4L96.2Very high96.1Very high16 Ų1668.4 Ų68.48%0.08433%0.332CS..PPolyproline II helixtrans-71.8146.9171.9-62.7-176.6000109.6M1 D249 Y253M1-L4 HydrophobicContact CE-CD2 3.99Å; L4-D249 HydrophobicContact CD1-CB 3.63Å; L4-Y253 HydrophobicContact CD2-CD1 3.89Å; L4-Y253 HydrophobicContact CD2-CD2 4.19Å; L4-Y253 HydrophobicContact CD2-CE1 4.28Å; L4-Y253 HydrophobicContact CD2-CG 3.84Å
5E96.4Very high96.2Very high81 Ų8163.9 Ų63.938%0.37931%0.31SS..PPolyproline II helixtrans-70.9148.9170.5-68173.2179.800109.8M1 R9M1-E5 HydrophobicContact SD-CG 4.04Å; E5-R9 VanDerWaalsContact CD-NH2 3.29Å; E5-R9 IonicContact OE1-CZ 3.56Å; E5-R9 IonicContact OE1-NE 3.09Å; E5-R9 IonicContact OE1-NH2 3.59Å; E5-R9 PolarHBondContact OE1-NH2 2.9Å; E5-R9 IonicContact OE2-CZ 2.68Å; E5-R9 VanDerWaalsContact OE2-CZ 3.3Å; E5-R9 IonicContact OE2-NE 3.07Å; E5-R9 PolarHBondContact OE2-NE 3.15Å; E5-R9 IonicContact OE2-NH2 2.64Å; E5-R9 PolarHBondContact OE2-NH2 3.07Å; E5-R9 VanDerWaalsContact OE2-NH2 3.09Å
6I96.8Very high96.3Very high53 Ų5363 Ų6327%0.27231%0.31SS..  trans-98.6-37.6-174-62.1145.1000110.7R118 N242I6-R118 HydrophobicContact CG2-CB 3.9Å; I6-R118 HydrophobicContact CG2-CG 3.84Å; I6-N242 HydrophobicContact CD1-CB 3.55Å; I6-N242 HydrophobicContact CG1-CB 4.23Å
7N97.1Very high96.4Very high42 Ų4266.7 Ų66.723%0.22533%0.33CS..SBendtrans-77.3143.2177.854.4-61.7000110.9R9 E12 G114N7-R9 PolarHBondContact O-N 3.34Å; N7-E12 WeakPolarHBondContact CB-OE1 3.31Å; N7-E12 VanDerWaalsContact ND2-CD 3.3Å; N7-E12 PolarHBondContact ND2-OE1 3.48Å; N7-E12 PolarHBondContact ND2-OE2 3.41Å; N7-G114 WeakPolarHBondContact CA-O 3.18Å
8N98.4Very high96.4Very high14 Ų1464.4 Ų64.48%0.07532%0.318CS..  trans-82.9113.2173.1-172-71.7000110.2I10 I11 E12 F35 D37 G114N8-I10 VanDerWaalsContact C-N 3.31Å; N8-I10 PolarHBondContact O-N 3.47Å; N8-I10 WeakPolarHBondContact OD1-CB 3.46Å; N8-I10 PolarHBondContact OD1-N 3.18Å; N8-I11 HydrophobicContact CB-CB 4.3Å; N8-I11 HydrophobicContact CB-CD1 3.93Å; N8-I11 HydrophobicContact CB-CG1 4.16Å; N8-I11 PolarHBondContact O-N 2.94Å; N8-I11 PolarHBondContact OD1-N 2.87Å; N8-I11 VanDerWaalsContact OD1-N 3.09Å; N8-E12 PolarHBondContact O-N 3.03Å; N8-E12 VanDerWaalsContact O-N 3.13Å; N8-F35 WeakPolarHBondContact OD1-CE2 3.4Å; N8-D37 PolarHBondContact ND2-OD2 3.26Å; N8-G114 PolarHBondContact N-O 3.3Å
9R98.1Very high96.4Very high132 Ų13261.1 Ų61.150%0.49830%0.301SS..Hα-helixtrans-60.7-36.4-179.6-67.8-171.9178.6-147.9-2.1113.9E5 N7 I11 E12 E13E5-R9 VanDerWaalsContact CD-NH2 3.29Å; E5-R9 IonicContact OE1-CZ 3.56Å; E5-R9 IonicContact OE1-NE 3.09Å; E5-R9 IonicContact OE1-NH2 3.59Å; E5-R9 PolarHBondContact OE1-NH2 2.9Å; E5-R9 IonicContact OE2-CZ 2.68Å; E5-R9 VanDerWaalsContact OE2-CZ 3.3Å; E5-R9 IonicContact OE2-NE 3.07Å; E5-R9 PolarHBondContact OE2-NE 3.15Å; E5-R9 IonicContact OE2-NH2 2.64Å; E5-R9 PolarHBondContact OE2-NH2 3.07Å; E5-R9 VanDerWaalsContact OE2-NH2 3.09Å; N7-R9 PolarHBondContact O-N 3.34Å; R9-I11 VanDerWaalsContact C-N 3.32Å; R9-I11 PolarHBondContact O-N 3.32Å; R9-E12 PolarHBondContact O-N 3.42Å; R9-E13 VanDerWaalsContact O-CB 3.27Å; R9-E13 WeakPolarHBondContact O-CB 3.34Å; R9-E13 VanDerWaalsContact O-CG 3.28Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.26Å
10I98.4Very high96.3Very high72 Ų7261.9 Ų61.937%0.36931%0.307SS..Hα-helixtrans-64.7-42-178.5-60.5173.7000109.6N8 T14 F35N8-I10 VanDerWaalsContact C-N 3.31Å; N8-I10 PolarHBondContact O-N 3.47Å; N8-I10 WeakPolarHBondContact OD1-CB 3.46Å; N8-I10 PolarHBondContact OD1-N 3.18Å; I10-T14 WeakPolarHBondContact O-CB 3.43Å; I10-T14 PolarHBondContact O-N 2.83Å; I10-T14 PolarHBondContact O-OG1 3.11Å; I10-F35 HydrophobicContact CB-CD2 3.94Å; I10-F35 HydrophobicContact CB-CE1 4.49Å; I10-F35 HydrophobicContact CB-CE2 3.83Å; I10-F35 HydrophobicContact CB-CG 4.33Å; I10-F35 HydrophobicContact CB-CZ 4.12Å; I10-F35 HydrophobicContact CD1-CB 3.86Å; I10-F35 HydrophobicContact CD1-CD2 3.71Å; I10-F35 HydrophobicContact CD1-CE2 4.46Å; I10-F35 HydrophobicContact CD1-CG 3.85Å; I10-F35 HydrophobicContact CG1-CD2 4.39Å; I10-F35 HydrophobicContact CG2-CD1 3.73Å; I10-F35 HydrophobicContact CG2-CD2 3.97Å; I10-F35 HydrophobicContact CG2-CE1 3.67Å; I10-F35 HydrophobicContact CG2-CE2 3.92Å; I10-F35 HydrophobicContact CG2-CG 3.87Å; I10-F35 HydrophobicContact CG2-CZ 3.77Å
11I98.5Very high96.2Very high0 Ų059.9 Ų59.90%030%0.302CS..Hα-helixtrans-61.4-53174.6-66.5172.6000110.3N8 R9 T14 L15 F35 Y43 I45 V57 A113N8-I11 HydrophobicContact CB-CB 4.3Å; N8-I11 HydrophobicContact CB-CD1 3.93Å; N8-I11 HydrophobicContact CB-CG1 4.16Å; N8-I11 PolarHBondContact O-N 2.94Å; N8-I11 PolarHBondContact OD1-N 2.87Å; N8-I11 VanDerWaalsContact OD1-N 3.09Å; R9-I11 VanDerWaalsContact C-N 3.32Å; R9-I11 PolarHBondContact O-N 3.32Å; I11-T14 PolarHBondContact O-N 3.4Å; I11-L15 HydrophobicContact CG2-CD1 3.75Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 WeakPolarHBondContact O-CG 3.2Å; I11-L15 PolarHBondContact O-N 3.23Å; I11-F35 HydrophobicContact CD1-CE2 4.4Å; I11-F35 HydrophobicContact CD1-CZ 4.3Å; I11-F35 HydrophobicContact CG1-CE2 3.91Å; I11-F35 HydrophobicContact CG1-CZ 3.56Å; I11-Y43 HydrophobicContact CD1-CD1 3.82Å; I11-Y43 HydrophobicContact CD1-CD2 4.44Å; I11-Y43 HydrophobicContact CD1-CE1 3.58Å; I11-Y43 HydrophobicContact CD1-CE2 4.2Å; I11-Y43 HydrophobicContact CD1-CG 4.24Å; I11-I45 HydrophobicContact CG1-CD1 4.3Å; I11-V57 HydrophobicContact CD1-CG1 4.16Å; I11-V57 HydrophobicContact CG1-CG1 4.31Å; I11-V57 HydrophobicContact CG2-CG1 4.48Å; I11-A113 HydrophobicContact CG2-CB 3.88Å
12E98.4Very high96.8Very high36 Ų3654.9 Ų54.917%0.16828%0.282CS..Hα-helixtrans-62.7-50.5-175.4-70.2-17416500112N7 N8 R9 T14 L15 T16 V110 H111N7-E12 WeakPolarHBondContact CB-OE1 3.31Å; N7-E12 VanDerWaalsContact ND2-CD 3.3Å; N7-E12 PolarHBondContact ND2-OE1 3.48Å; N7-E12 PolarHBondContact ND2-OE2 3.41Å; N8-E12 PolarHBondContact O-N 3.03Å; N8-E12 VanDerWaalsContact O-N 3.13Å; R9-E12 PolarHBondContact O-N 3.42Å; E12-T14 VanDerWaalsContact C-N 3.33Å; E12-T14 PolarHBondContact O-N 2.76Å; E12-L15 PolarHBondContact O-N 2.91Å; E12-T16 WeakPolarHBondContact O-CB 3.48Å; E12-T16 PolarHBondContact O-N 3.1Å; E12-T16 PolarHBondContact O-OG1 2.84Å; E12-V110 HydrophobicContact CB-CG1 3.91Å; E12-V110 HydrophobicContact CG-CG1 4.01Å; E12-H111 WeakPolarHBondContact OE1-CA 3.43Å; E12-H111 IonicContact OE1-CE1 3.79Å; E12-H111 IonicContact OE1-CG 3.6Å; E12-H111 IonicContact OE1-ND1 3.93Å; E12-H111 PolarHBondContact OE1-ND1 3.02Å
13E98.2Very high96.8Very high126 Ų12651.6 Ų51.659%0.58927%0.27SS*.Hα-helixtrans-61.8-40.2180-69.1175.3-167.400111.8R9 L17R9-E13 VanDerWaalsContact O-CB 3.27Å; R9-E13 WeakPolarHBondContact O-CB 3.34Å; R9-E13 VanDerWaalsContact O-CG 3.28Å; R9-E13 WeakPolarHBondContact O-CG 3.44Å; R9-E13 PolarHBondContact O-N 3.26Å; E13-L17 WeakPolarHBondContact O-CB 3.46Å; E13-L17 PolarHBondContact O-N 2.81Å; E13-L17 VanDerWaalsContact O-N 3.08Å
14T98.1Very high96.6Very high25 Ų2552.7 Ų52.715%0.15328%0.276CS..Hα-helixtrans-66.7-46.6178.5-58.30000111.3I10 I11 E12 L17 K18 V31 I45I10-T14 WeakPolarHBondContact O-CB 3.43Å; I10-T14 PolarHBondContact O-N 2.83Å; I10-T14 PolarHBondContact O-OG1 3.11Å; I11-T14 PolarHBondContact O-N 3.4Å; E12-T14 VanDerWaalsContact C-N 3.33Å; E12-T14 PolarHBondContact O-N 2.76Å; T14-L17 PolarHBondContact O-N 2.75Å; T14-K18 VanDerWaalsContact O-CG 3.3Å; T14-K18 WeakPolarHBondContact O-CG 3.18Å; T14-K18 PolarHBondContact O-N 3.44Å; T14-K18 VanDerWaalsContact O-N 3.11Å; T14-V31 HydrophobicContact CG2-CG2 4.09Å; T14-I45 HydrophobicContact CG2-CD1 4.05Å; T14-I45 HydrophobicContact CG2-CG2 4.15Å
15L97.7Very high96.4Very high0 Ų055.1 Ų55.10%031%0.305CS..Hα-helixtrans-69.7-41.9-179.2-70.1178.9000112I11 E12 L17 K18 F19 V55 V57 Y97 V110 A113I11-L15 HydrophobicContact CG2-CD1 3.75Å; I11-L15 HydrophobicContact CG2-CG 4.34Å; I11-L15 WeakPolarHBondContact O-CB 3.4Å; I11-L15 WeakPolarHBondContact O-CG 3.2Å; I11-L15 PolarHBondContact O-N 3.23Å; E12-L15 PolarHBondContact O-N 2.91Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.22Å; L15-K18 PolarHBondContact O-N 3.23Å; L15-F19 HydrophobicContact CD2-CE1 4.27Å; L15-F19 HydrophobicContact CD2-CZ 4.49Å; L15-F19 WeakPolarHBondContact O-CB 3.42Å; L15-F19 WeakPolarHBondContact O-CD1 3.45Å; L15-F19 VanDerWaalsContact O-CG 3.29Å; L15-F19 WeakPolarHBondContact O-CG 3.43Å; L15-F19 PolarHBondContact O-N 2.76Å; L15-V55 HydrophobicContact CD2-CG1 3.9Å; L15-V57 HydrophobicContact CD1-CG2 4.29Å; L15-V57 HydrophobicContact CD2-CG2 4.02Å; L15-V57 HydrophobicContact CG-CG2 4.46Å; L15-Y97 HydrophobicContact CD1-CD2 4.47Å; L15-Y97 HydrophobicContact CD1-CE2 4.03Å; L15-Y97 HydrophobicContact CD2-CD2 4.04Å; L15-Y97 HydrophobicContact CD2-CE2 4.38Å; L15-V110 HydrophobicContact CB-CG1 4.23Å; L15-V110 HydrophobicContact CB-CG2 4Å; L15-A113 HydrophobicContact CD1-CB 3.4Å; L15-A113 VanDerWaalsContact CD1-CB 3.4Å
16T97.5Very high96.2Very high50 Ų5055 Ų5531%0.30731%0.31SS..Hα-helixtrans-55.8-49.3174.1-65.20000110.6E12 K18 F19 D20E12-T16 WeakPolarHBondContact O-CB 3.48Å; E12-T16 PolarHBondContact O-N 3.1Å; E12-T16 PolarHBondContact O-OG1 2.84Å; T16-K18 VanDerWaalsContact C-N 3.32Å; T16-K18 PolarHBondContact O-N 2.88Å; T16-F19 PolarHBondContact O-N 2.9Å; T16-D20 WeakPolarHBondContact CG2-OD2 3.3Å; T16-D20 WeakPolarHBondContact O-CB 3.24Å; T16-D20 VanDerWaalsContact O-CG 3.32Å; T16-D20 PolarHBondContact O-N 2.98Å
17L96.9Very high96Very high126 Ų12660.7 Ų60.766%0.6633%0.333SS*.Hα-helixtrans-58.5-43.3178.5179.864000112.2E13 T14 L15 G21E13-L17 WeakPolarHBondContact O-CB 3.46Å; E13-L17 PolarHBondContact O-N 2.81Å; E13-L17 VanDerWaalsContact O-N 3.08Å; T14-L17 PolarHBondContact O-N 2.75Å; L15-L17 VanDerWaalsContact C-N 3.33Å; L15-L17 PolarHBondContact O-N 3.22Å; L17-G21 PolarHBondContact O-N 2.87Å
18K96.3Very high95.9Very high25 Ų2560.9 Ų60.911%0.10934%0.337CS..Hα-helixtrans-70.5-39.2179.9-66.1-66.2175.9176.50112.2T14 L15 T16 A22 E29 A30 V55 L99T14-K18 VanDerWaalsContact O-CG 3.3Å; T14-K18 WeakPolarHBondContact O-CG 3.18Å; T14-K18 PolarHBondContact O-N 3.44Å; T14-K18 VanDerWaalsContact O-N 3.11Å; L15-K18 PolarHBondContact O-N 3.23Å; T16-K18 VanDerWaalsContact C-N 3.32Å; T16-K18 PolarHBondContact O-N 2.88Å; K18-A22 WeakPolarHBondContact O-CB 3.2Å; K18-A22 PolarHBondContact O-N 3.32Å; K18-E29 PolarHBondContact NZ-O 3.27Å; K18-A30 PolarHBondContact NZ-O 3.05Å; K18-V55 HydrophobicContact CB-CG2 4.48Å; K18-V55 HydrophobicContact CG-CG2 4.45Å; K18-L99 HydrophobicContact CB-CD2 4.23Å
19F96.8Very high95.7Very high1 Ų166.7 Ų66.70%0.00436%0.363CS..Hα-helixtrans-70.3-42179.7-72.99.7000111.4L15 T16 A22 S23 Y97 L99 L102 K106 V109 V110L15-F19 HydrophobicContact CD2-CE1 4.27Å; L15-F19 HydrophobicContact CD2-CZ 4.49Å; L15-F19 WeakPolarHBondContact O-CB 3.42Å; L15-F19 WeakPolarHBondContact O-CD1 3.45Å; L15-F19 VanDerWaalsContact O-CG 3.29Å; L15-F19 WeakPolarHBondContact O-CG 3.43Å; L15-F19 PolarHBondContact O-N 2.76Å; T16-F19 PolarHBondContact O-N 2.9Å; F19-A22 PolarHBondContact O-N 3.33Å; F19-S23 WeakPolarHBondContact O-CB 3.49Å; F19-S23 PolarHBondContact O-N 3.49Å; F19-S23 PolarHBondContact O-OG 2.65Å; F19-Y97 HydrophobicContact CE1-CG 4.22Å; F19-Y97 AromaticContact CZ-CD1 3.77Å; F19-Y97 HydrophobicContact CZ-CD1 3.77Å; F19-Y97 HydrophobicContact CZ-CE1 4.43Å; F19-Y97 AromaticContact CZ-CG 3.83Å; F19-Y97 HydrophobicContact CZ-CG 3.83Å; F19-L99 HydrophobicContact CD1-CD2 3.75Å; F19-L99 HydrophobicContact CE1-CD2 4.03Å; F19-L102 HydrophobicContact CB-CD1 4.2Å; F19-L102 HydrophobicContact CD1-CD2 3.61Å; F19-L102 HydrophobicContact CD2-CD2 4.23Å; F19-L102 HydrophobicContact CE1-CD2 3.76Å; F19-L102 HydrophobicContact CE2-CD2 4.35Å; F19-L102 HydrophobicContact CG-CD1 4.41Å; F19-L102 HydrophobicContact CG-CD2 3.87Å; F19-L102 HydrophobicContact CZ-CD2 4.14Å; F19-K106 HydrophobicContact CD2-CB 4.24Å; F19-K106 HydrophobicContact CD2-CG 4.48Å; F19-V109 HydrophobicContact CE2-CG1 4.34Å; F19-V110 HydrophobicContact CD2-CG2 3.59Å; F19-V110 HydrophobicContact CE2-CG2 3.65Å
20D95.3Very high95.6Very high78 Ų7863.5 Ų63.542%0.41737%0.365SS..Hα-helixtrans-65-43175.5-73-15.6000111.2T16 A22 S23 N24T16-D20 WeakPolarHBondContact CG2-OD2 3.3Å; T16-D20 WeakPolarHBondContact O-CB 3.24Å; T16-D20 VanDerWaalsContact O-CG 3.32Å; T16-D20 PolarHBondContact O-N 2.98Å; D20-A22 PolarHBondContact O-N 3.35Å; D20-S23 PolarHBondContact O-N 2.92Å; D20-N24 WeakPolarHBondContact O-CB 3.35Å; D20-N24 VanDerWaalsContact O-CG 3.29Å; D20-N24 PolarHBondContact O-N 2.97Å; D20-N24 PolarHBondContact O-ND2 2.8Å; D20-N24 VanDerWaalsContact O-ND2 3.07Å
21G94.4Very high95.5Very high20 Ų2060.8 Ų60.821%0.20635%0.352CS..Hα-helixtrans-56.1-49.6174.300000112.2L17 S23 N24 G25 T26L17-G21 PolarHBondContact O-N 2.87Å; G21-S23 PolarHBondContact O-N 2.81Å; G21-N24 PolarHBondContact O-N 2.82Å; G21-G25 PolarHBondContact O-N 3.06Å; G21-T26 WeakPolarHBondContact O-CA 3.47Å; G21-T26 WeakPolarHBondContact O-CB 3.2Å; G21-T26 PolarHBondContact O-N 3.44Å; G21-T26 PolarHBondContact O-OG1 2.81Å
22A93.9Very high95.5Very high27 Ų2766.7 Ų66.722%0.22338%0.383CS..Hα-helixtrans-63.7-40.5178.100000112.4K18 F19 D20 N24 G25 L99 L102K18-A22 WeakPolarHBondContact O-CB 3.2Å; K18-A22 PolarHBondContact O-N 3.32Å; F19-A22 PolarHBondContact O-N 3.33Å; D20-A22 PolarHBondContact O-N 3.35Å; A22-N24 VanDerWaalsContact C-N 3.27Å; A22-N24 PolarHBondContact O-N 2.86Å; A22-G25 PolarHBondContact O-N 3.39Å; A22-G25 VanDerWaalsContact O-N 3.09Å; A22-L99 HydrophobicContact CB-CB 3.92Å; A22-L99 HydrophobicContact CB-CD2 4.31Å; A22-L102 HydrophobicContact CB-CD1 3.92Å
23S92.8Very high95.5Very high53 Ų5367.4 Ų67.437%0.37139%0.39SS..Hα-helixtrans-64.1-33.3178.6-56.50000113.1F19 D20 G21 G25 K106F19-S23 WeakPolarHBondContact O-CB 3.49Å; F19-S23 PolarHBondContact O-N 3.49Å; F19-S23 PolarHBondContact O-OG 2.65Å; D20-S23 PolarHBondContact O-N 2.92Å; G21-S23 PolarHBondContact O-N 2.81Å; S23-G25 VanDerWaalsContact C-N 3.26Å; S23-G25 PolarHBondContact O-N 2.84Å; S23-K106 WeakPolarHBondContact OG-CE 3.49Å; S23-K106 PolarHBondContact OG-NZ 2.83Å
24N93.3Very high95.5Very high129 Ų12965.5 Ų65.569%0.6939%0.387SS*.THydrogen-bonded Turntrans-86.26.3178.1-66.6-34000113D20 G21 A22 T26D20-N24 WeakPolarHBondContact O-CB 3.35Å; D20-N24 VanDerWaalsContact O-CG 3.29Å; D20-N24 PolarHBondContact O-N 2.97Å; D20-N24 PolarHBondContact O-ND2 2.8Å; D20-N24 VanDerWaalsContact O-ND2 3.07Å; G21-N24 PolarHBondContact O-N 2.82Å; A22-N24 VanDerWaalsContact C-N 3.27Å; A22-N24 PolarHBondContact O-N 2.86Å; N24-T26 PolarHBondContact O-N 2.87Å
25G90.6Very high95.5Very high68 Ų6865.3 Ų65.370%0.70138%0.384SS*.THydrogen-bonded Turntrans69.420.7-178.500000113.7G21 A22 S23G21-G25 PolarHBondContact O-N 3.06Å; A22-G25 PolarHBondContact O-N 3.39Å; A22-G25 VanDerWaalsContact O-N 3.09Å; S23-G25 VanDerWaalsContact C-N 3.26Å; S23-G25 PolarHBondContact O-N 2.84Å
26T93.1Very high95.5Very high78 Ų7868.5 Ų68.548%0.47941%0.411SS..PPolyproline II helixtrans-70.9142.5175.8-520000109.2G21 N24G21-T26 WeakPolarHBondContact O-CA 3.47Å; G21-T26 WeakPolarHBondContact O-CB 3.2Å; G21-T26 PolarHBondContact O-N 3.44Å; G21-T26 PolarHBondContact O-OG1 2.81Å; N24-T26 PolarHBondContact O-N 2.87Å
27K92.5Very high95.6Very high173 Ų17368 Ų6875%0.75241%0.406SS*.PPolyproline II helixtrans-59.7128.9177.3-174.6176-179.5176.90110E29K27-E29 PolarHBondContact O-N 3.39Å
28P93.8Very high95.6Very high46 Ų4667 Ų6730%0.29940%0.396SS..PPolyproline II helixtrans-59.3124.3179.1-25.534000112.2K52 T53 L99P28-K52 HydrophobicContact CB-CB 3.94Å; P28-K52 VanDerWaalsContact CB-O 3.3Å; P28-K52 WeakPolarHBondContact CB-O 3.24Å; P28-K52 WeakPolarHBondContact O-CD 3.35Å; P28-T53 HydrophobicContact CG-CG2 4.29Å; P28-L99 HydrophobicContact CB-CD1 4.4Å
29E94.2Very high95.6Very high135 Ų13566.2 Ų66.263%0.63139%0.394SS*.PPolyproline II helixtrans-96.7146.5177.5-66.6-169.5159.600111.1K18 K27K18-E29 PolarHBondContact NZ-O 3.27Å; K27-E29 PolarHBondContact O-N 3.39Å
30A96.4Very high95.5Very high65 Ų6568.6 Ų68.654%0.53742%0.419SS..PPolyproline II helixtrans-59.3149.7175.700000111.2K18 N47K18-A30 PolarHBondContact NZ-O 3.05Å; A30-N47 WeakPolarHBondContact CA-OD1 3.45Å
31V97.5Very high95.6Very high15 Ų1565 Ų659%0.09140%0.399CS..  trans-140.6134.3172.963.90000108.6T14 V33 I45 S46 N47 V55T14-V31 HydrophobicContact CG2-CG2 4.09Å; V31-V33 HydrophobicContact CG2-CG2 3.78Å; V31-I45 HydrophobicContact CG1-CG2 4.2Å; V31-I45 HydrophobicContact CG2-CG2 3.92Å; V31-S46 WeakPolarHBondContact O-CA 3.33Å; V31-N47 PolarHBondContact N-OD1 3.12Å; V31-N47 PolarHBondContact O-N 3.15Å; V31-N47 PolarHBondContact O-OD1 3.34Å; V31-V55 HydrophobicContact CG1-CG1 4.27Å; V31-V55 HydrophobicContact CG1-CG2 4.42Å
32D97.8Very high95.8Very high124 Ų12467.3 Ų67.366%0.66341%0.407SS*.EExtended strand (participates in β ladder)trans-154.4102.6174.7-176.6-6.6000106.5H44 I45D32-H44 IonicContact OD1-CD2 2.84Å; D32-H44 IonicContact OD1-NE2 3.32Å; D32-H44 PolarHBondContact OD1-NE2 2.74Å; D32-I45 CarbonylContact C-O 3.55Å; D32-I45 VanDerWaalsContact CA-O 3.28Å; D32-I45 WeakPolarHBondContact CA-O 3.39Å
33V97.8Very high96.1Very high51 Ų5166.1 Ų66.131%0.30940%0.396SS..EExtended strand (participates in β ladder)trans-137.3119.5-174-167.80000108.7V31 F35 H44 I45V31-V33 HydrophobicContact CG2-CG2 3.78Å; V33-F35 HydrophobicContact CB-CD1 4.43Å; V33-F35 HydrophobicContact CG1-CD1 3.81Å; V33-F35 HydrophobicContact CG1-CE1 4.36Å; V33-H44 CarbonylContact O-C 3.55Å; V33-H44 WeakPolarHBondContact O-CA 3.49Å; V33-I45 HydrophobicContact CB-CB 4.48Å; V33-I45 PolarHBondContact N-O 3.46Å; V33-I45 PolarHBondContact O-N 3.21Å
34T98.4Very high96.4Very high86 Ų8664.7 Ų64.753%0.52838%0.384SS..EExtended strand (participates in β ladder)trans-107.8128.3170.9-60.80000109.3L42 Y43 H44T34-L42 HydrophobicContact CG2-CD1 3.9Å; T34-L42 HydrophobicContact CG2-CG 4.39Å; T34-Y43 WeakPolarHBondContact CA-O 3.27Å; T34-H44 PolarHBondContact OG1-CD2 3.09Å
35F98.6Very high96.6Very high21 Ų2158.5 Ų58.59%0.09235%0.351CS..EExtended strand (participates in β ladder)trans-151.8168.4-178.758.2-81.4000110.9N8 I10 I11 V33 L42 Y43 I45N8-F35 WeakPolarHBondContact OD1-CE2 3.4Å; I10-F35 HydrophobicContact CB-CD2 3.94Å; I10-F35 HydrophobicContact CB-CE1 4.49Å; I10-F35 HydrophobicContact CB-CE2 3.83Å; I10-F35 HydrophobicContact CB-CG 4.33Å; I10-F35 HydrophobicContact CB-CZ 4.12Å; I10-F35 HydrophobicContact CD1-CB 3.86Å; I10-F35 HydrophobicContact CD1-CD2 3.71Å; I10-F35 HydrophobicContact CD1-CE2 4.46Å; I10-F35 HydrophobicContact CD1-CG 3.85Å; I10-F35 HydrophobicContact CG1-CD2 4.39Å; I10-F35 HydrophobicContact CG2-CD1 3.73Å; I10-F35 HydrophobicContact CG2-CD2 3.97Å; I10-F35 HydrophobicContact CG2-CE1 3.67Å; I10-F35 HydrophobicContact CG2-CE2 3.92Å; I10-F35 HydrophobicContact CG2-CG 3.87Å; I10-F35 HydrophobicContact CG2-CZ 3.77Å; I11-F35 HydrophobicContact CD1-CE2 4.4Å; I11-F35 HydrophobicContact CD1-CZ 4.3Å; I11-F35 HydrophobicContact CG1-CE2 3.91Å; I11-F35 HydrophobicContact CG1-CZ 3.56Å; V33-F35 HydrophobicContact CB-CD1 4.43Å; V33-F35 HydrophobicContact CG1-CD1 3.81Å; V33-F35 HydrophobicContact CG1-CE1 4.36Å; F35-L42 WeakPolarHBondContact O-CD1 3.44Å; F35-Y43 AromaticContact CD2-CD2 3.91Å; F35-Y43 HydrophobicContact CD2-CD2 3.91Å; F35-Y43 HydrophobicContact CD2-CG 4.3Å; F35-Y43 VanDerWaalsContact CE2-CB 3.44Å; F35-Y43 AromaticContact CE2-CD2 3.48Å; F35-Y43 HydrophobicContact CE2-CD2 3.48Å; F35-Y43 VanDerWaalsContact CE2-CD2 3.48Å; F35-Y43 HydrophobicContact CE2-CE2 4.34Å; F35-Y43 AromaticContact CE2-CG 3.68Å; F35-Y43 HydrophobicContact CE2-CG 3.68Å; F35-Y43 VanDerWaalsContact CZ-CB 3.42Å; F35-Y43 HydrophobicContact CZ-CD2 4.24Å; F35-Y43 AromaticContact CZ-CG 3.97Å; F35-Y43 HydrophobicContact CZ-CG 3.97Å; F35-Y43 PolarHBondContact N-O 3.28Å; F35-Y43 VanDerWaalsContact N-O 3.08Å; F35-Y43 PolarHBondContact O-N 3.48Å; F35-I45 HydrophobicContact CE1-CD1 3.62Å; F35-I45 HydrophobicContact CE1-CG1 3.75Å; F35-I45 HydrophobicContact CZ-CD1 3.77Å; F35-I45 HydrophobicContact CZ-CG1 4.1Å
36A98.1Very high97Very high67 Ų6755.9 Ų55.955%0.55432%0.322SS*.EExtended strand (participates in β ladder)trans-116.8168.6-175.300000112.2V41A36-V41 WeakPolarHBondContact CA-O 3.28Å
37D98.3Very high97.2Very high40 Ų4053.2 Ų53.221%0.21430%0.304CS..  trans-131179.3167.3-145.8-57.8000109.6N8 V41 Y43 K117N8-D37 PolarHBondContact ND2-OD2 3.26Å; D37-V41 HydrophobicContact CB-CB 3.93Å; D37-V41 HydrophobicContact CB-CG1 4.11Å; D37-V41 PolarHBondContact N-O 3.36Å; D37-Y43 HydrophobicContact CB-CD2 4.29Å; D37-Y43 HydrophobicContact CB-CE2 3.71Å; D37-K117 HydrophobicContact CB-CD 4.44Å
38F97.4Very high97.4Very high104 Ų10445.9 Ų45.946%0.45628%0.275SS..G310 helixtrans-59.8164.9171.9-56.7-73.1000111.7G40 V41 K117 D249F38-G40 PolarHBondContact O-N 3.34Å; F38-V41 WeakPolarHBondContact O-CG2 3.24Å; F38-V41 PolarHBondContact O-N 3.49Å; F38-K117 VanDerWaalsContact C-NZ 3.32Å; F38-K117 PolarHBondContact O-NZ 2.76Å; F38-D249 VanDerWaalsContact CB-CG 3.49Å; F38-D249 WeakPolarHBondContact CB-OD2 3.26Å; F38-D249 HydrophobicContact CD1-CB 4.35Å; F38-D249 HydrophobicContact CG-CB 4.23Å
39D96.5Very high97.4Very high10 Ų1052 Ų525%0.05331%0.305CS..G310 helixtrans64.219.6-178.7-51.4-43.3000115.8V41 K117 R147D39-V41 PolarHBondContact O-N 2.88Å; D39-K117 WeakPolarHBondContact OD2-CE 3.46Å; D39-K117 IonicContact OD2-NZ 3.69Å; D39-K117 PolarHBondContact OD2-NZ 3.4Å; D39-R147 HydrophobicContact CB-CG 4.38Å; D39-R147 IonicContact OD1-NH1 3.79Å
40G95.4Very high97.4Very high51 Ų5148.4 Ų48.453%0.52630%0.304SS..G310 helixtrans71.423.2177.700000113F38F38-G40 PolarHBondContact O-N 3.34Å
41V97.9Very high97.4Very high1 Ų148.1 Ų48.11%0.00629%0.293CS..  trans-72.8137.4172.6173.20000109.5A36 D37 F38 D39 Y43 I59 L61 K117A36-V41 WeakPolarHBondContact CA-O 3.28Å; D37-V41 HydrophobicContact CB-CB 3.93Å; D37-V41 HydrophobicContact CB-CG1 4.11Å; D37-V41 PolarHBondContact N-O 3.36Å; F38-V41 WeakPolarHBondContact O-CG2 3.24Å; F38-V41 PolarHBondContact O-N 3.49Å; D39-V41 PolarHBondContact O-N 2.88Å; V41-Y43 HydrophobicContact CG1-CD2 4.21Å; V41-Y43 HydrophobicContact CG1-CE2 3.86Å; V41-I59 HydrophobicContact CG1-CD1 3.72Å; V41-I59 HydrophobicContact CG1-CG1 3.61Å; V41-L61 HydrophobicContact CG2-CD2 3.88Å; V41-L61 HydrophobicContact CG2-CG 4.08Å; V41-K117 HydrophobicContact CG2-CD 4.04Å; V41-K117 HydrophobicContact CG2-CG 4.36Å
42L98.5Very high97.4Very high70 Ų7052.2 Ų52.237%0.36631%0.31SS..EExtended strand (participates in β ladder)trans-118.6135.7174.5-17273.1000109.6T34 F35 I59 S60T34-L42 HydrophobicContact CG2-CD1 3.9Å; T34-L42 HydrophobicContact CG2-CG 4.39Å; F35-L42 WeakPolarHBondContact O-CD1 3.44Å; L42-I59 CarbonylContact O-C 3.6Å; L42-I59 WeakPolarHBondContact O-CA 3.27Å; L42-S60 PolarHBondContact N-O 3.01Å; L42-S60 VanDerWaalsContact N-O 3.07Å; L42-S60 PolarHBondContact O-N 2.94Å
43Y98.8Very high97.3Very high1 Ų147.5 Ų47.50%0.00429%0.285CS..EExtended strand (participates in β ladder)trans-116.7152.6174.7-69.7-74.9000111.3I11 T34 F35 D37 V41 S58 I59 L116 K117I11-Y43 HydrophobicContact CD1-CD1 3.82Å; I11-Y43 HydrophobicContact CD1-CD2 4.44Å; I11-Y43 HydrophobicContact CD1-CE1 3.58Å; I11-Y43 HydrophobicContact CD1-CE2 4.2Å; I11-Y43 HydrophobicContact CD1-CG 4.24Å; T34-Y43 WeakPolarHBondContact CA-O 3.27Å; F35-Y43 AromaticContact CD2-CD2 3.91Å; F35-Y43 HydrophobicContact CD2-CD2 3.91Å; F35-Y43 HydrophobicContact CD2-CG 4.3Å; F35-Y43 VanDerWaalsContact CE2-CB 3.44Å; F35-Y43 AromaticContact CE2-CD2 3.48Å; F35-Y43 HydrophobicContact CE2-CD2 3.48Å; F35-Y43 VanDerWaalsContact CE2-CD2 3.48Å; F35-Y43 HydrophobicContact CE2-CE2 4.34Å; F35-Y43 AromaticContact CE2-CG 3.68Å; F35-Y43 HydrophobicContact CE2-CG 3.68Å; F35-Y43 VanDerWaalsContact CZ-CB 3.42Å; F35-Y43 HydrophobicContact CZ-CD2 4.24Å; F35-Y43 AromaticContact CZ-CG 3.97Å; F35-Y43 HydrophobicContact CZ-CG 3.97Å; F35-Y43 PolarHBondContact N-O 3.28Å; F35-Y43 VanDerWaalsContact N-O 3.08Å; F35-Y43 PolarHBondContact O-N 3.48Å; D37-Y43 HydrophobicContact CB-CD2 4.29Å; D37-Y43 HydrophobicContact CB-CE2 3.71Å; V41-Y43 HydrophobicContact CG1-CD2 4.21Å; V41-Y43 HydrophobicContact CG1-CE2 3.86Å; Y43-S58 CarbonylContact C-O 3.55Å; Y43-S58 VanDerWaalsContact CA-O 3.27Å; Y43-S58 WeakPolarHBondContact CA-O 3.16Å; Y43-I59 HydrophobicContact CD1-CB 3.67Å; Y43-I59 HydrophobicContact CD1-CD1 4.3Å; Y43-I59 HydrophobicContact CD1-CG1 3.76Å; Y43-I59 HydrophobicContact CE1-CB 3.54Å; Y43-I59 HydrophobicContact CE1-CD1 3.41Å; Y43-I59 VanDerWaalsContact CE1-CD1 3.41Å; Y43-I59 HydrophobicContact CE1-CG1 3.39Å; Y43-L116 HydrophobicContact CE1-CB 4.37Å; Y43-L116 HydrophobicContact CE1-CD2 4.17Å; Y43-L116 HydrophobicContact CE1-CG 4.46Å; Y43-K117 WeakPolarHBondContact OH-CB 3.33Å; Y43-K117 PolarHBondContact OH-N 3.11Å
44H98.8Very high97.3Very high23 Ų2348.5 Ų48.511%0.10629%0.286CS..EExtended strand (participates in β ladder)trans-140.2125.6171.9178.8-136.3000110.2D32 V33 T34 S46 S58 E88 Y91D32-H44 IonicContact OD1-CD2 2.84Å; D32-H44 IonicContact OD1-NE2 3.32Å; D32-H44 PolarHBondContact OD1-NE2 2.74Å; V33-H44 CarbonylContact O-C 3.55Å; V33-H44 WeakPolarHBondContact O-CA 3.49Å; T34-H44 PolarHBondContact OG1-CD2 3.09Å; H44-S46 VanDerWaalsContact CE1-CB 3.43Å; H44-S46 WeakPolarHBondContact CE1-CB 3.33Å; H44-S46 PolarHBondContact CE1-OG 3.36Å; H44-S58 PolarHBondContact N-O 2.78Å; H44-S58 PolarHBondContact O-N 3.08Å; H44-E88 IonicContact CE1-OE1 3.1Å; H44-E88 PolarHBondContact CE1-OE1 2.87Å; H44-E88 IonicContact CE1-OE2 3.9Å; H44-E88 IonicContact CG-OE2 3.89Å; H44-E88 VanDerWaalsContact ND1-CD 3.29Å; H44-E88 IonicContact ND1-OE1 3.14Å; H44-E88 PolarHBondContact ND1-OE1 3.34Å; H44-E88 IonicContact ND1-OE2 2.68Å; H44-E88 PolarHBondContact ND1-OE2 3.48Å; H44-Y91 HydrophobicContact CB-CE1 3.66Å; H44-Y91 HydrophobicContact CB-CE2 4.06Å; H44-Y91 WeakPolarHBondContact CB-OH 3.5Å
45I98.7Very high97.3Very high0 Ų044.4 Ų44.40%026%0.261CS..EExtended strand (participates in β ladder)trans-112.1119.8172.9-60.6175.3000107.9I11 T14 V31 D32 V33 F35 V55 M56 V57I11-I45 HydrophobicContact CG1-CD1 4.3Å; T14-I45 HydrophobicContact CG2-CD1 4.05Å; T14-I45 HydrophobicContact CG2-CG2 4.15Å; V31-I45 HydrophobicContact CG1-CG2 4.2Å; V31-I45 HydrophobicContact CG2-CG2 3.92Å; D32-I45 CarbonylContact C-O 3.55Å; D32-I45 VanDerWaalsContact CA-O 3.28Å; D32-I45 WeakPolarHBondContact CA-O 3.39Å; V33-I45 HydrophobicContact CB-CB 4.48Å; V33-I45 PolarHBondContact N-O 3.46Å; V33-I45 PolarHBondContact O-N 3.21Å; F35-I45 HydrophobicContact CE1-CD1 3.62Å; F35-I45 HydrophobicContact CE1-CG1 3.75Å; F35-I45 HydrophobicContact CZ-CD1 3.77Å; F35-I45 HydrophobicContact CZ-CG1 4.1Å; I45-V55 HydrophobicContact CG2-CG1 3.75Å; I45-M56 CarbonylContact C-O 3.5Å; I45-M56 VanDerWaalsContact CA-O 3.24Å; I45-M56 WeakPolarHBondContact CA-O 3.43Å; I45-V57 HydrophobicContact CG1-CB 4.45Å; I45-V57 HydrophobicContact CG1-CG1 4.13Å; I45-V57 HydrophobicContact CG1-CG2 4.1Å
46S98.3Very high97.3Very high13 Ų1344.5 Ų44.59%0.09126%0.262CS..EExtended strand (participates in β ladder)trans-147166.8-174.466.80000113.4V31 H44 M56V31-S46 WeakPolarHBondContact O-CA 3.33Å; H44-S46 VanDerWaalsContact CE1-CB 3.43Å; H44-S46 WeakPolarHBondContact CE1-CB 3.33Å; H44-S46 PolarHBondContact CE1-OG 3.36Å; S46-M56 PolarHBondContact N-O 2.84Å; S46-M56 PolarHBondContact O-N 3.13Å
47N98.3Very high97.3Very high21 Ų2141.3 Ų41.311%0.11224%0.235CC..  trans-93.4108.3167.1-64.1123.9000110.4A30 V31 N49 G50 D51 K54A30-N47 WeakPolarHBondContact CA-OD1 3.45Å; V31-N47 PolarHBondContact N-OD1 3.12Å; V31-N47 PolarHBondContact O-N 3.15Å; V31-N47 PolarHBondContact O-OD1 3.34Å; N47-N49 PolarHBondContact O-N 2.7Å; N47-G50 PolarHBondContact O-N 2.77Å; N47-G50 VanDerWaalsContact O-N 3.15Å; N47-D51 WeakPolarHBondContact CB-O 3.44Å; N47-D51 PolarHBondContact ND2-O 3.22Å; N47-K54 PolarHBondContact ND2-O 3.22Å
48P96.2Very high97.4Very high20 Ų2039.4 Ų39.413%0.1323%0.225CC..G310 helixtrans-63.7135.2-177.727.2-33.7000110.7G50 D51 K54 M56 L96P48-G50 PolarHBondContact O-N 2.65Å; P48-D51 WeakPolarHBondContact O-CB 3.3Å; P48-D51 PolarHBondContact O-N 2.87Å; P48-K54 WeakPolarHBondContact CD-O 3.47Å; P48-K54 HydrophobicContact CG-CB 3.92Å; P48-M56 HydrophobicContact CB-CE 3.9Å; P48-M56 HydrophobicContact CG-CB 4.34Å; P48-M56 HydrophobicContact CG-CE 4.17Å; P48-L96 HydrophobicContact CG-CD1 3.83Å
49N94.7Very high97.4Very high174 Ų17434.4 Ų34.493%0.9320%0.203SC*.G310 helixtrans56.918-177.4-48.2-54.3000114.6N47 D51N47-N49 PolarHBondContact O-N 2.7Å; N49-D51 VanDerWaalsContact C-N 3.27Å; N49-D51 PolarHBondContact O-N 3.07Å
50G93.9Very high97.5Very high59 Ų5935.5 Ų35.561%0.60821%0.211SC*.G310 helixtrans76.59.3-175.100000114.6N47 P48 K52N47-G50 PolarHBondContact O-N 2.77Å; N47-G50 VanDerWaalsContact O-N 3.15Å; P48-G50 PolarHBondContact O-N 2.65Å; G50-K52 PolarHBondContact O-N 3.41Å
51D96.6Very high97.6Very high59 Ų5933.1 Ų33.132%0.31619%0.187SC..  trans-77.9103.5179-171.12.5000111.3N47 P48 N49 T53 K54N47-D51 WeakPolarHBondContact CB-O 3.44Å; N47-D51 PolarHBondContact ND2-O 3.22Å; P48-D51 WeakPolarHBondContact O-CB 3.3Å; P48-D51 PolarHBondContact O-N 2.87Å; N49-D51 VanDerWaalsContact C-N 3.27Å; N49-D51 PolarHBondContact O-N 3.07Å; D51-T53 PolarHBondContact O-N 2.79Å; D51-T53 PolarHBondContact OD1-N 3.48Å; D51-T53 PolarHBondContact OD1-OG1 2.89Å; D51-T53 PolarHBondContact OD2-OG1 3.07Å; D51-K54 PolarHBondContact O-N 3.4Å; D51-K54 VanDerWaalsContact O-N 3.11Å; D51-K54 VanDerWaalsContact O-O 3.13Å; D51-K54 WeakPolarHBondContact OD2-CD 3.25Å; D51-K54 WeakPolarHBondContact OD2-CE 3.44Å; D51-K54 IonicContact OD2-NZ 3.75Å
52K96.4Very high97.6Very high101 Ų10140.2 Ų40.244%0.43922%0.217SC..THydrogen-bonded Turntrans-68.8-17.2-173.8-61.2-179.4-173.6179.70113.6P28 G50P28-K52 HydrophobicContact CB-CB 3.94Å; P28-K52 VanDerWaalsContact CB-O 3.3Å; P28-K52 WeakPolarHBondContact CB-O 3.24Å; P28-K52 WeakPolarHBondContact O-CD 3.35Å; G50-K52 PolarHBondContact O-N 3.41Å
53T96.3Very high97.5Very high25 Ų2537.2 Ų37.215%0.15320%0.201CC..THydrogen-bonded Turntrans-78.7-11.7176.666.40000111.7P28 D51 L99 E100P28-T53 HydrophobicContact CG-CG2 4.29Å; D51-T53 PolarHBondContact O-N 2.79Å; D51-T53 PolarHBondContact OD1-N 3.48Å; D51-T53 PolarHBondContact OD1-OG1 2.89Å; D51-T53 PolarHBondContact OD2-OG1 3.07Å; T53-L99 WeakPolarHBondContact O-CB 3.22Å; T53-L99 VanDerWaalsContact O-CG 3.24Å; T53-L99 WeakPolarHBondContact O-CG 3.49Å; T53-L99 PolarHBondContact O-N 3.02Å; T53-E100 HydrophobicContact CG2-CG 4.23Å
54K97.6Very high97.4Very high72 Ų7237.7 Ų37.731%0.31320%0.203SC..EExtended strand (participates in β ladder)trans-114.2130.7-179-69.1179.9-174.9170.70110.9N47 P48 D51 L96 Y97N47-K54 PolarHBondContact ND2-O 3.22Å; P48-K54 WeakPolarHBondContact CD-O 3.47Å; P48-K54 HydrophobicContact CG-CB 3.92Å; D51-K54 PolarHBondContact O-N 3.4Å; D51-K54 VanDerWaalsContact O-N 3.11Å; D51-K54 VanDerWaalsContact O-O 3.13Å; D51-K54 WeakPolarHBondContact OD2-CD 3.25Å; D51-K54 WeakPolarHBondContact OD2-CE 3.44Å; D51-K54 IonicContact OD2-NZ 3.75Å; K54-L96 HydrophobicContact CB-CD1 4.05Å; K54-Y97 WeakPolarHBondContact CA-O 3.49Å
55V98.3Very high97.4Very high0 Ų044.1 Ų44.10%023%0.231CC..EExtended strand (participates in β ladder)trans-115.9116.1176-177.50000108.2L15 K18 V31 I45 Y97 L99L15-V55 HydrophobicContact CD2-CG1 3.9Å; K18-V55 HydrophobicContact CB-CG2 4.48Å; K18-V55 HydrophobicContact CG-CG2 4.45Å; V31-V55 HydrophobicContact CG1-CG1 4.27Å; V31-V55 HydrophobicContact CG1-CG2 4.42Å; I45-V55 HydrophobicContact CG2-CG1 3.75Å; V55-Y97 PolarHBondContact N-O 3.31Å; V55-Y97 PolarHBondContact O-N 3.45Å; V55-L99 HydrophobicContact CG2-CD1 3.98Å; V55-L99 HydrophobicContact CG2-CD2 4.15Å; V55-L99 HydrophobicContact CG2-CG 4.13Å
56M98.6Very high97.3Very high23 Ų2346.4 Ų46.411%0.11324%0.242CC..EExtended strand (participates in β ladder)trans-98.4134.7175.3-175.3172.9-73.700109.6I45 S46 P48 V85 E88 L95 L96I45-M56 CarbonylContact C-O 3.5Å; I45-M56 VanDerWaalsContact CA-O 3.24Å; I45-M56 WeakPolarHBondContact CA-O 3.43Å; S46-M56 PolarHBondContact N-O 2.84Å; S46-M56 PolarHBondContact O-N 3.13Å; P48-M56 HydrophobicContact CB-CE 3.9Å; P48-M56 HydrophobicContact CG-CB 4.34Å; P48-M56 HydrophobicContact CG-CE 4.17Å; M56-V85 HydrophobicContact CE-CG2 4.3Å; M56-E88 HydrophobicContact SD-CB 4.02Å; M56-E88 HydrophobicContact SD-CG 4.48Å; M56-L95 CarbonylContact C-O 3.59Å; M56-L95 VanDerWaalsContact CA-O 3.27Å; M56-L95 WeakPolarHBondContact CA-O 3.3Å; M56-L96 HydrophobicContact CB-CD1 4.12Å; M56-L96 HydrophobicContact CE-CD1 4.16Å
57V98.8Very high97.2Very high0 Ų045.8 Ų45.80%024%0.237CC..EExtended strand (participates in β ladder)trans-119111.4172.6-175.60000108I11 L15 I45 S94 L95 Y97 L116I11-V57 HydrophobicContact CD1-CG1 4.16Å; I11-V57 HydrophobicContact CG1-CG1 4.31Å; I11-V57 HydrophobicContact CG2-CG1 4.48Å; L15-V57 HydrophobicContact CD1-CG2 4.29Å; L15-V57 HydrophobicContact CD2-CG2 4.02Å; L15-V57 HydrophobicContact CG-CG2 4.46Å; I45-V57 HydrophobicContact CG1-CB 4.45Å; I45-V57 HydrophobicContact CG1-CG1 4.13Å; I45-V57 HydrophobicContact CG1-CG2 4.1Å; V57-S94 CarbonylContact O-C 3.56Å; V57-S94 WeakPolarHBondContact O-CA 3.42Å; V57-L95 HydrophobicContact CB-CB 4.49Å; V57-L95 PolarHBondContact N-O 3.09Å; V57-L95 PolarHBondContact O-N 3.35Å; V57-Y97 HydrophobicContact CG2-CD2 4.29Å; V57-Y97 HydrophobicContact CG2-CE2 4.05Å; V57-L116 HydrophobicContact CG1-CD2 4.4Å
58S98.8Very high97.1Very high0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-111.2142-177.7-590000110.8Y43 H44 E88 V93 S94Y43-S58 CarbonylContact C-O 3.55Å; Y43-S58 VanDerWaalsContact CA-O 3.27Å; Y43-S58 WeakPolarHBondContact CA-O 3.16Å; H44-S58 PolarHBondContact N-O 2.78Å; H44-S58 PolarHBondContact O-N 3.08Å; S58-E88 WeakPolarHBondContact CB-OE2 3.4Å; S58-E88 VanDerWaalsContact OG-CB 3.31Å; S58-E88 WeakPolarHBondContact OG-CB 3.42Å; S58-E88 PolarHBondContact OG-OE2 2.9Å; S58-V93 CarbonylContact C-O 3.59Å; S58-V93 WeakPolarHBondContact CA-O 3.42Å; S58-S94 WeakPolarHBondContact CB-OG 3.38Å; S58-S94 PolarHBondContact OG-OG 3.02Å
59I98.8Very high97.1Very high0 Ų054.4 Ų54.40%028%0.275CS..EExtended strand (participates in β ladder)trans-124.8137.6176.8-173179.6000110.5V41 L42 Y43 L61 N92 V93 L116 K117V41-I59 HydrophobicContact CG1-CD1 3.72Å; V41-I59 HydrophobicContact CG1-CG1 3.61Å; L42-I59 CarbonylContact O-C 3.6Å; L42-I59 WeakPolarHBondContact O-CA 3.27Å; Y43-I59 HydrophobicContact CD1-CB 3.67Å; Y43-I59 HydrophobicContact CD1-CD1 4.3Å; Y43-I59 HydrophobicContact CD1-CG1 3.76Å; Y43-I59 HydrophobicContact CE1-CB 3.54Å; Y43-I59 HydrophobicContact CE1-CD1 3.41Å; Y43-I59 VanDerWaalsContact CE1-CD1 3.41Å; Y43-I59 HydrophobicContact CE1-CG1 3.39Å; I59-L61 HydrophobicContact CB-CD1 4.49Å; I59-L61 HydrophobicContact CD1-CD1 3.73Å; I59-L61 HydrophobicContact CD1-CD2 4.24Å; I59-L61 HydrophobicContact CD1-CG 4.09Å; I59-L61 HydrophobicContact CG1-CD1 3.71Å; I59-L61 HydrophobicContact CG1-CG 4.16Å; I59-L61 HydrophobicContact CG2-CD1 4.17Å; I59-N92 PolarHBondContact O-N 3.15Å; I59-V93 HydrophobicContact CG2-CB 3.63Å; I59-V93 HydrophobicContact CG2-CG1 4.41Å; I59-V93 HydrophobicContact CG2-CG2 4.37Å; I59-V93 PolarHBondContact N-O 3.27Å; I59-V93 PolarHBondContact O-N 2.7Å; I59-L116 HydrophobicContact CB-CD2 3.89Å; I59-L116 HydrophobicContact CB-CG 4.28Å; I59-L116 HydrophobicContact CD1-CG 4.23Å; I59-L116 HydrophobicContact CG2-CD1 4.43Å; I59-L116 HydrophobicContact CG2-CD2 3.66Å; I59-L116 HydrophobicContact CG2-CG 3.84Å; I59-K117 HydrophobicContact CD1-CB 4.07Å
60S98.5Very high97.2Very high32 Ų3247.2 Ų47.222%0.22424%0.236CC..EExtended strand (participates in β ladder)trans-121.6123.6176.6-1730000109.9L42 G90 N92L42-S60 PolarHBondContact N-O 3.01Å; L42-S60 VanDerWaalsContact N-O 3.07Å; L42-S60 PolarHBondContact O-N 2.94Å; S60-G90 PolarHBondContact OG-O 2.82Å; S60-N92 VanDerWaalsContact CA-OD1 3.3Å; S60-N92 WeakPolarHBondContact CA-OD1 3.19Å
61L97.6Very high97.3Very high2 Ų245.5 Ų45.51%0.0122%0.218CC..  trans-131.1126176.2-44.191.2000108.6V41 I59 F63 Y64 N92 C120 F121V41-L61 HydrophobicContact CG2-CD2 3.88Å; V41-L61 HydrophobicContact CG2-CG 4.08Å; I59-L61 HydrophobicContact CB-CD1 4.49Å; I59-L61 HydrophobicContact CD1-CD1 3.73Å; I59-L61 HydrophobicContact CD1-CD2 4.24Å; I59-L61 HydrophobicContact CD1-CG 4.09Å; I59-L61 HydrophobicContact CG1-CD1 3.71Å; I59-L61 HydrophobicContact CG1-CG 4.16Å; I59-L61 HydrophobicContact CG2-CD1 4.17Å; L61-F63 HydrophobicContact CB-CE1 4.27Å; L61-F63 HydrophobicContact CB-CE2 4.16Å; L61-F63 HydrophobicContact CB-CZ 4.04Å; L61-F63 HydrophobicContact CD2-CE2 3.76Å; L61-F63 HydrophobicContact CD2-CZ 3.75Å; L61-F63 HydrophobicContact CG-CZ 4.5Å; L61-F63 PolarHBondContact O-N 3.34Å; L61-F63 VanDerWaalsContact O-N 3.13Å; L61-Y64 HydrophobicContact CD1-CD2 4Å; L61-Y64 WeakPolarHBondContact O-CB 3.35Å; L61-Y64 PolarHBondContact O-N 3.5Å; L61-Y64 VanDerWaalsContact O-N 3.13Å; L61-N92 PolarHBondContact N-OD1 3.48Å; L61-N92 PolarHBondContact O-OD1 3.23Å; L61-N92 VanDerWaalsContact O-OD1 3.07Å; L61-C120 HydrophobicContact CD2-CB 4.45Å; L61-F121 HydrophobicContact CD2-CE2 4.31Å
62K97.1Very high97.3Very high149 Ų14942.7 Ų42.765%0.64820%0.203SC*.THydrogen-bonded Turntrans-57.8-31.7-179.2-63.8-176.6-176.1-177.50113.1D148K62-D148 WeakPolarHBondContact CD-OD1 3.28Å; K62-D148 IonicContact NZ-OD1 2.98Å; K62-D148 PolarHBondContact NZ-OD1 3.09Å; K62-D148 IonicContact NZ-OD2 3.94Å; K62-D148 PolarHBondContact NZ-OD2 2.95Å
63F96.2Very high97.3Very high7 Ų740.8 Ų40.83%0.03120%0.198CC..THydrogen-bonded Turntrans-99.814.5-17652-91.2000113.4L61 K65 E66 L67 F121 V144 H145 Y146L61-F63 HydrophobicContact CB-CE1 4.27Å; L61-F63 HydrophobicContact CB-CE2 4.16Å; L61-F63 HydrophobicContact CB-CZ 4.04Å; L61-F63 HydrophobicContact CD2-CE2 3.76Å; L61-F63 HydrophobicContact CD2-CZ 3.75Å; L61-F63 HydrophobicContact CG-CZ 4.5Å; L61-F63 PolarHBondContact O-N 3.34Å; L61-F63 VanDerWaalsContact O-N 3.13Å; F63-K65 PolarHBondContact O-N 3.34Å; F63-E66 WeakPolarHBondContact O-CB 3.43Å; F63-E66 PolarHBondContact O-N 2.66Å; F63-E66 VanDerWaalsContact O-N 3.1Å; F63-L67 HydrophobicContact CD2-CD1 3.92Å; F63-L67 HydrophobicContact CD2-CG 4.1Å; F63-L67 HydrophobicContact CE2-CD1 3.87Å; F63-L67 HydrophobicContact CE2-CG 4.49Å; F63-L67 PolarHBondContact O-N 3.11Å; F63-F121 HydrophobicContact CD2-CZ 4.3Å; F63-F121 HydrophobicContact CE1-CZ 4.49Å; F63-F121 HydrophobicContact CE2-CD2 4.49Å; F63-F121 AromaticContact CE2-CE1 3.82Å; F63-F121 HydrophobicContact CE2-CE1 3.82Å; F63-F121 AromaticContact CE2-CE2 3.58Å; F63-F121 HydrophobicContact CE2-CE2 3.58Å; F63-F121 AromaticContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CZ-CE1 4.31Å; F63-F121 AromaticContact CZ-CE2 3.64Å; F63-F121 HydrophobicContact CZ-CE2 3.64Å; F63-F121 AromaticContact CZ-CZ 3.32Å; F63-F121 HydrophobicContact CZ-CZ 3.32Å; F63-V144 HydrophobicContact CD2-CG1 3.86Å; F63-V144 HydrophobicContact CG-CG1 4.37Å; F63-H145 WeakPolarHBondContact CB-O 3.28Å; F63-H145 VanDerWaalsContact CD1-O 3.25Å; F63-H145 WeakPolarHBondContact CD1-O 3.2Å; F63-Y146 WeakPolarHBondContact CE1-O 3.39Å
64Y97.7Very high97.3Very high12 Ų1245.9 Ų45.95%0.04722%0.22CC..Hα-helixtrans-58.6-35.9-177.3-175.1-100000113.3L61 E66 L67 Q68 A72 D73 L76 N92 V93L61-Y64 HydrophobicContact CD1-CD2 4Å; L61-Y64 WeakPolarHBondContact O-CB 3.35Å; L61-Y64 PolarHBondContact O-N 3.5Å; L61-Y64 VanDerWaalsContact O-N 3.13Å; Y64-E66 VanDerWaalsContact C-N 3.27Å; Y64-E66 PolarHBondContact O-N 2.87Å; Y64-L67 WeakPolarHBondContact O-CB 3.3Å; Y64-L67 PolarHBondContact O-N 3.27Å; Y64-L67 VanDerWaalsContact O-N 3.12Å; Y64-Q68 HydrophobicContact CE1-CB 4.45Å; Y64-Q68 PolarHBondContact O-N 2.82Å; Y64-A72 HydrophobicContact CE2-CB 4.28Å; Y64-D73 PolarHBondContact OH-OD1 3.04Å; Y64-L76 HydrophobicContact CE2-CD1 4.07Å; Y64-L76 VanDerWaalsContact OH-CD1 3.24Å; Y64-L76 WeakPolarHBondContact OH-CD1 3.3Å; Y64-N92 HydrophobicContact CD1-CB 3.67Å; Y64-N92 HydrophobicContact CD2-CB 3.96Å; Y64-N92 HydrophobicContact CE1-CB 4.25Å; Y64-N92 HydrophobicContact CE2-CB 4.48Å; Y64-N92 HydrophobicContact CG-CB 3.5Å; Y64-V93 HydrophobicContact CD2-CG2 4.21Å; Y64-V93 HydrophobicContact CE1-CG2 4.28Å; Y64-V93 HydrophobicContact CE2-CG2 3.35Å; Y64-V93 WeakPolarHBondContact OH-CG2 3.14Å
65K97.3Very high97.3Very high157 Ų15742.7 Ų42.768%0.68321%0.206SC*.Hα-helixtrans-59.8-38.2177.7-69.8-173.3177.5-178.40112.5F63 L67 Q68 E69F63-K65 PolarHBondContact O-N 3.34Å; K65-L67 VanDerWaalsContact C-N 3.35Å; K65-Q68 WeakPolarHBondContact O-CB 3.37Å; K65-Q68 PolarHBondContact O-N 3.2Å; K65-E69 PolarHBondContact O-N 3.04Å; K65-E69 VanDerWaalsContact O-N 3.15Å
66E96.9Very high97.3Very high49 Ų4942.8 Ų42.823%0.22921%0.207CC..Hα-helixtrans-66.7-40.1177.2-58.6174.2166.900110.4F63 Y64 Q68 E69 H70 V144 H145F63-E66 WeakPolarHBondContact O-CB 3.43Å; F63-E66 PolarHBondContact O-N 2.66Å; F63-E66 VanDerWaalsContact O-N 3.1Å; Y64-E66 VanDerWaalsContact C-N 3.27Å; Y64-E66 PolarHBondContact O-N 2.87Å; E66-Q68 VanDerWaalsContact C-N 3.31Å; E66-Q68 PolarHBondContact O-N 3.42Å; E66-E69 PolarHBondContact O-N 3.08Å; E66-H70 PolarHBondContact O-CD2 3.15Å; E66-V144 WeakPolarHBondContact OE2-CA 3.39Å; E66-H145 IonicContact OE1-CE1 3.72Å; E66-H145 IonicContact OE1-CG 2.74Å; E66-H145 IonicContact OE1-ND1 3.65Å; E66-H145 PolarHBondContact OE1-ND1 2.86Å; E66-H145 IonicContact OE2-CG 2.87Å; E66-H145 PolarHBondContact OE2-N 2.65Å; E66-H145 IonicContact OE2-ND1 3.99Å
67L97.3Very high97.2Very high0 Ų048.9 Ų48.90%023%0.233CC..Hα-helixtrans-64.5-37.2173-60178.8000112F63 Y64 K65 E69 H70 G71 A72 C120 F121 V124 V144F63-L67 HydrophobicContact CD2-CD1 3.92Å; F63-L67 HydrophobicContact CD2-CG 4.1Å; F63-L67 HydrophobicContact CE2-CD1 3.87Å; F63-L67 HydrophobicContact CE2-CG 4.49Å; F63-L67 PolarHBondContact O-N 3.11Å; Y64-L67 WeakPolarHBondContact O-CB 3.3Å; Y64-L67 PolarHBondContact O-N 3.27Å; Y64-L67 VanDerWaalsContact O-N 3.12Å; K65-L67 VanDerWaalsContact C-N 3.35Å; L67-E69 VanDerWaalsContact C-N 3.32Å; L67-E69 PolarHBondContact O-N 3.07Å; L67-H70 CarbonylContact O-C 3.5Å; L67-H70 WeakPolarHBondContact O-CA 3.29Å; L67-H70 PolarHBondContact O-N 2.77Å; L67-G71 PolarHBondContact O-N 3.09Å; L67-A72 HydrophobicContact CB-CB 4.06Å; L67-A72 WeakPolarHBondContact O-CB 3.34Å; L67-A72 PolarHBondContact O-N 2.93Å; L67-C120 HydrophobicContact CD1-CB 4.2Å; L67-F121 HydrophobicContact CD2-CD1 4.36Å; L67-V124 HydrophobicContact CD2-CG1 4.24Å; L67-V144 HydrophobicContact CD2-CG1 3.91Å; L67-V144 HydrophobicContact CD2-CG2 4.03Å
68Q96.5Very high97.1Very high83 Ų8356.2 Ų56.239%0.38826%0.26SS..Hα-helixtrans-61.2-39178.1-162179.28.700111.8Y64 K65 E66 H70 G71 D73Y64-Q68 HydrophobicContact CE1-CB 4.45Å; Y64-Q68 PolarHBondContact O-N 2.82Å; K65-Q68 WeakPolarHBondContact O-CB 3.37Å; K65-Q68 PolarHBondContact O-N 3.2Å; E66-Q68 VanDerWaalsContact C-N 3.31Å; E66-Q68 PolarHBondContact O-N 3.42Å; Q68-H70 PolarHBondContact O-N 2.75Å; Q68-H70 VanDerWaalsContact O-N 3.09Å; Q68-G71 PolarHBondContact O-N 3.34Å; Q68-D73 WeakPolarHBondContact CG-OD2 3.34Å; Q68-D73 PolarHBondContact NE2-OD2 3.42Å
69E96.3Very high97Very high139 Ų13958.6 Ų58.665%0.6528%0.275SS*.THydrogen-bonded Turntrans-60.7-18.6172.7-66.3179.8-16800113.4K65 E66 L67 K127K65-E69 PolarHBondContact O-N 3.04Å; K65-E69 VanDerWaalsContact O-N 3.15Å; E66-E69 PolarHBondContact O-N 3.08Å; L67-E69 VanDerWaalsContact C-N 3.32Å; L67-E69 PolarHBondContact O-N 3.07Å; E69-K127 PolarHBondContact O-NZ 2.69Å; E69-K127 VanDerWaalsContact O-NZ 3.15Å
70H96.9Very high97Very high22 Ų2258.9 Ų58.910%0.10228%0.276CS..THydrogen-bonded Turntrans-107.514.5178.2-61.3-68.1000114.1E66 L67 Q68 V124 K127 Y128 A142E66-H70 PolarHBondContact O-CD2 3.15Å; L67-H70 CarbonylContact O-C 3.5Å; L67-H70 WeakPolarHBondContact O-CA 3.29Å; L67-H70 PolarHBondContact O-N 2.77Å; Q68-H70 PolarHBondContact O-N 2.75Å; Q68-H70 VanDerWaalsContact O-N 3.09Å; H70-V124 HydrophobicContact CB-CB 3.9Å; H70-V124 HydrophobicContact CB-CG2 3.9Å; H70-K127 HydrophobicContact CB-CD 4.02Å; H70-Y128 AromaticContact ND1-CE2 3.86Å; H70-A142 VanDerWaalsContact CE1-CB 3.49Å; H70-A142 WeakPolarHBondContact CE1-CB 3.29Å; H70-A142 VanDerWaalsContact NE2-CB 3.33Å; H70-A142 WeakPolarHBondContact NE2-CB 3.48Å
71G95.7Very high96.8Very high23 Ų2359 Ų5924%0.23728%0.283CS..THydrogen-bonded Turntrans91.530.4168.800000114.8L67 Q68 E74 L75 S123L67-G71 PolarHBondContact O-N 3.09Å; Q68-G71 PolarHBondContact O-N 3.34Å; G71-E74 VanDerWaalsContact C-OE2 3.26Å; G71-E74 WeakPolarHBondContact CA-OE2 3.33Å; G71-L75 PolarHBondContact O-N 2.95Å; G71-S123 WeakPolarHBondContact O-CB 3.34Å
72A96.7Very high96.7Very high0 Ų066.9 Ų66.90%032%0.324CS..Hα-helixtrans-59.2-45.8177.300000112.3Y64 L67 E74 L75 L76Y64-A72 HydrophobicContact CE2-CB 4.28Å; L67-A72 HydrophobicContact CB-CB 4.06Å; L67-A72 WeakPolarHBondContact O-CB 3.34Å; L67-A72 PolarHBondContact O-N 2.93Å; A72-E74 PolarHBondContact O-N 3.31Å; A72-L75 PolarHBondContact O-N 3.1Å; A72-L76 WeakPolarHBondContact O-CB 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.36Å; A72-L76 PolarHBondContact O-N 3.13Å
73D95.8Very high96.7Very high62 Ų6262.5 Ų62.533%0.33231%0.306SS..Hα-helixtrans-63.8-40.6-175.4-66.5-11.7000112.2Y64 Q68 L76 K77Y64-D73 PolarHBondContact OH-OD1 3.04Å; Q68-D73 WeakPolarHBondContact CG-OD2 3.34Å; Q68-D73 PolarHBondContact NE2-OD2 3.42Å; D73-L76 PolarHBondContact O-N 3.38Å; D73-K77 VanDerWaalsContact O-CB 3.22Å; D73-K77 WeakPolarHBondContact O-CB 3.49Å; D73-K77 PolarHBondContact O-N 3.46Å
74E96.9Very high96.8Very high132 Ų13264.6 Ų64.662%0.61732%0.317SS*.Hα-helixtrans-65.8-41177.9-64.782178.300111.7G71 A72 R78G71-E74 VanDerWaalsContact C-OE2 3.26Å; G71-E74 WeakPolarHBondContact CA-OE2 3.33Å; A72-E74 PolarHBondContact O-N 3.31Å; E74-R78 WeakPolarHBondContact O-CB 3.43Å; E74-R78 PolarHBondContact O-N 3.09Å
75L96.9Very high96.8Very high5 Ų566.3 Ų66.33%0.02633%0.328CS..Hα-helixtrans-66.2-48.1176.4-175.4155.2000110.6G71 A72 K77 R78 V79 N119 A122 E126G71-L75 PolarHBondContact O-N 2.95Å; A72-L75 PolarHBondContact O-N 3.1Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 3.41Å; L75-R78 WeakPolarHBondContact O-CB 3.46Å; L75-R78 PolarHBondContact O-N 2.87Å; L75-R78 VanDerWaalsContact O-N 3.08Å; L75-V79 HydrophobicContact CD2-CG2 3.78Å; L75-V79 HydrophobicContact CG-CG2 4.43Å; L75-V79 WeakPolarHBondContact O-CG2 3.11Å; L75-V79 PolarHBondContact O-N 3.26Å; L75-N119 HydrophobicContact CD2-CB 4.27Å; L75-N119 VanDerWaalsContact CD2-O 3.31Å; L75-N119 WeakPolarHBondContact CD2-O 3.25Å; L75-A122 HydrophobicContact CD1-CB 3.84Å; L75-E126 HydrophobicContact CD1-CG 4.36Å
76L97.8Very high96.8Very high1 Ų163.9 Ų63.91%0.00533%0.331CS..Hα-helixtrans-62.7-39.6-179.6-68.2172000111.3Y64 A72 D73 R78 V79 Y80 L84 V93 L116 N119Y64-L76 HydrophobicContact CE2-CD1 4.07Å; Y64-L76 VanDerWaalsContact OH-CD1 3.24Å; Y64-L76 WeakPolarHBondContact OH-CD1 3.3Å; A72-L76 WeakPolarHBondContact O-CB 3.29Å; A72-L76 WeakPolarHBondContact O-CG 3.36Å; A72-L76 PolarHBondContact O-N 3.13Å; D73-L76 PolarHBondContact O-N 3.38Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.42Å; L76-V79 PolarHBondContact O-N 3.31Å; L76-Y80 HydrophobicContact CB-CD2 4.3Å; L76-Y80 HydrophobicContact CD2-CD2 3.88Å; L76-Y80 HydrophobicContact CD2-CE2 3.54Å; L76-Y80 WeakPolarHBondContact O-CB 3.36Å; L76-Y80 WeakPolarHBondContact O-CD2 3.38Å; L76-Y80 PolarHBondContact O-N 3.31Å; L76-L84 HydrophobicContact CB-CD2 4.17Å; L76-V93 HydrophobicContact CD1-CG1 4.17Å; L76-V93 HydrophobicContact CD1-CG2 3.62Å; L76-L116 HydrophobicContact CD2-CD1 4.43Å; L76-N119 HydrophobicContact CD2-CB 4.19Å
77K97.4Very high96.9Very high151 Ų15165 Ų6566%0.65734%0.343SS*.Hα-helixtrans-63.6-37.3173.8-172.4172.2-176.4174.60112.1D73 L75 G81 L84D73-K77 VanDerWaalsContact O-CB 3.22Å; D73-K77 WeakPolarHBondContact O-CB 3.49Å; D73-K77 PolarHBondContact O-N 3.46Å; L75-K77 VanDerWaalsContact C-N 3.3Å; L75-K77 PolarHBondContact O-N 3.41Å; K77-G81 VanDerWaalsContact O-CA 3.25Å; K77-G81 WeakPolarHBondContact O-CA 3.5Å; K77-G81 PolarHBondContact O-N 3.05Å; K77-L84 HydrophobicContact CB-CD2 4.21Å
78R96.9Very high96.9Very high155 Ų15567.3 Ų67.359%0.58535%0.354SS*.Hα-helixtrans-67.9-39.4175.4-176.7-178.868.4-147.95112.3E74 L75 L76 E126E74-R78 WeakPolarHBondContact O-CB 3.43Å; E74-R78 PolarHBondContact O-N 3.09Å; L75-R78 WeakPolarHBondContact O-CB 3.46Å; L75-R78 PolarHBondContact O-N 2.87Å; L75-R78 VanDerWaalsContact O-N 3.08Å; L76-R78 VanDerWaalsContact C-N 3.31Å; L76-R78 PolarHBondContact O-N 3.42Å; R78-E126 IonicContact CZ-OE2 2.86Å; R78-E126 IonicContact NH1-OE2 2.71Å; R78-E126 VanDerWaalsContact NH2-CD 3.3Å; R78-E126 IonicContact NH2-OE1 3.4Å; R78-E126 PolarHBondContact NH2-OE1 3.42Å; R78-E126 VanDerWaalsContact NH2-OE1 3.09Å; R78-E126 IonicContact NH2-OE2 3.47Å; R78-E126 PolarHBondContact NH2-OE2 3.45Å
79V96.8Very high96.9Very high49 Ų4967.9 Ų67.930%0.29737%0.373SS..Hα-helixtrans-79-49.3-176.7172.90000111.9L75 L76L75-V79 HydrophobicContact CD2-CG2 3.78Å; L75-V79 HydrophobicContact CG-CG2 4.43Å; L75-V79 WeakPolarHBondContact O-CG2 3.11Å; L75-V79 PolarHBondContact O-N 3.26Å; L76-V79 PolarHBondContact O-N 3.31Å
80Y97.4Very high96.9Very high6 Ų664.6 Ų64.62%0.02438%0.376CS..Hα-helixtrans-96.8-18.1-171.3-63-68000113.5L76 N82 F83 L95 Q112 L116 N119L76-Y80 HydrophobicContact CB-CD2 4.3Å; L76-Y80 HydrophobicContact CD2-CD2 3.88Å; L76-Y80 HydrophobicContact CD2-CE2 3.54Å; L76-Y80 WeakPolarHBondContact O-CB 3.36Å; L76-Y80 WeakPolarHBondContact O-CD2 3.38Å; L76-Y80 PolarHBondContact O-N 3.31Å; Y80-N82 PolarHBondContact O-N 3.04Å; Y80-N82 VanDerWaalsContact O-N 3.09Å; Y80-F83 WeakPolarHBondContact O-CB 3.14Å; Y80-F83 VanDerWaalsContact O-CD2 3.28Å; Y80-F83 WeakPolarHBondContact O-CD2 3.2Å; Y80-F83 PolarHBondContact O-N 2.96Å; Y80-L95 HydrophobicContact CD1-CD1 3.61Å; Y80-L95 HydrophobicContact CD1-CD2 3.87Å; Y80-L95 HydrophobicContact CD1-CG 4.42Å; Y80-L95 HydrophobicContact CD2-CD2 3.96Å; Y80-L95 HydrophobicContact CE1-CD1 3.57Å; Y80-L95 HydrophobicContact CE1-CD2 4.5Å; Y80-L95 HydrophobicContact CG-CD1 4.16Å; Y80-L95 HydrophobicContact CG-CD2 3.58Å; Y80-Q112 HydrophobicContact CE1-CB 4.15Å; Y80-Q112 VanDerWaalsContact CE1-O 3.32Å; Y80-Q112 WeakPolarHBondContact CE1-O 3.34Å; Y80-Q112 PolarHBondContact OH-O 2.86Å; Y80-L116 HydrophobicContact CD2-CD1 4.49Å; Y80-L116 HydrophobicContact CE2-CD1 3.66Å; Y80-L116 VanDerWaalsContact OH-CA 3.3Å; Y80-L116 WeakPolarHBondContact OH-CA 3.48Å; Y80-N119 HydrophobicContact CE2-CB 4.17Å; Y80-N119 PolarHBondContact OH-ND2 3.31Å
81G95.3Very high97Very high36 Ų3665.5 Ų65.537%0.37138%0.379SS..G310 helixtrans50.6-116.8173.800000112.7K77 F83 L84K77-G81 VanDerWaalsContact O-CA 3.25Å; K77-G81 WeakPolarHBondContact O-CA 3.5Å; K77-G81 PolarHBondContact O-N 3.05Å; G81-F83 VanDerWaalsContact C-N 3.27Å; G81-F83 PolarHBondContact O-N 3.49Å; G81-L84 PolarHBondContact O-N 3.03Å
82N94.9Very high97.1Very high166 Ų16666.7 Ų66.789%0.88838%0.38SS*.G310 helixtrans-72.4-16.8-177.3-63.2-18.1000114Y80 L84Y80-N82 PolarHBondContact O-N 3.04Å; Y80-N82 VanDerWaalsContact O-N 3.09Å; N82-L84 VanDerWaalsContact C-N 3.31Å
83F97.3Very high97.2Very high58 Ų5866.9 Ų66.925%0.25438%0.381SS..G310 helixtrans-76.2-23.5176.4-57-62.6000111.8Y80 G81 V85 L95 L96 Y97 P103 V109Y80-F83 WeakPolarHBondContact O-CB 3.14Å; Y80-F83 VanDerWaalsContact O-CD2 3.28Å; Y80-F83 WeakPolarHBondContact O-CD2 3.2Å; Y80-F83 PolarHBondContact O-N 2.96Å; G81-F83 VanDerWaalsContact C-N 3.27Å; G81-F83 PolarHBondContact O-N 3.49Å; F83-V85 PolarHBondContact O-N 3.19Å; F83-L95 CarbonylContact O-C 3.55Å; F83-L95 VanDerWaalsContact O-CA 3.26Å; F83-L95 WeakPolarHBondContact O-CA 3.26Å; F83-L96 PolarHBondContact O-N 3.19Å; F83-Y97 HydrophobicContact CB-CE1 4.06Å; F83-Y97 AromaticContact CD1-CD1 3.55Å; F83-Y97 HydrophobicContact CD1-CD1 3.55Å; F83-Y97 AromaticContact CD1-CE1 3.58Å; F83-Y97 HydrophobicContact CD1-CE1 3.58Å; F83-Y97 HydrophobicContact CD2-CE1 4.24Å; F83-Y97 AromaticContact CE1-CD1 3.86Å; F83-Y97 HydrophobicContact CE1-CD1 3.86Å; F83-Y97 HydrophobicContact CE1-CE1 4.04Å; F83-Y97 HydrophobicContact CG-CD1 4.16Å; F83-Y97 AromaticContact CG-CE1 3.7Å; F83-Y97 HydrophobicContact CG-CE1 3.7Å; F83-P103 HydrophobicContact CZ-CB 4.43Å; F83-P103 HydrophobicContact CZ-CG 4.09Å; F83-V109 HydrophobicContact CD2-CG1 4.45Å; F83-V109 HydrophobicContact CE2-CG1 3.95Å; F83-V109 HydrophobicContact CE2-CG2 3.97Å; F83-V109 HydrophobicContact CZ-CG1 3.99Å; F83-V109 HydrophobicContact CZ-CG2 4.15Å
84L98.1Very high97.3Very high50 Ų5064 Ų6426%0.26237%0.366SS..EExtended strand (participates in β ladder)trans-75.2121.5179.3-17168.2000110.4L76 K77 G81 N82 V93 L95L76-L84 HydrophobicContact CB-CD2 4.17Å; K77-L84 HydrophobicContact CB-CD2 4.21Å; G81-L84 PolarHBondContact O-N 3.03Å; N82-L84 VanDerWaalsContact C-N 3.31Å; L84-V93 HydrophobicContact CD1-CG1 3.59Å; L84-L95 HydrophobicContact CB-CD2 4.42Å; L84-L95 HydrophobicContact CD1-CD2 3.8Å
85V98Very high97.4Very high48 Ų4857.7 Ų57.729%0.29134%0.336SS..EExtended strand (participates in β ladder)trans-122.4177.6-180-63.80000111.4M56 F83 S94 L96M56-V85 HydrophobicContact CE-CG2 4.3Å; F83-V85 PolarHBondContact O-N 3.19Å; V85-S94 WeakPolarHBondContact CG2-O 3.31Å; V85-S94 PolarHBondContact N-O 2.88Å; V85-L96 HydrophobicContact CB-CB 4.37Å; V85-L96 HydrophobicContact CG1-CB 3.64Å; V85-L96 HydrophobicContact CG1-CD2 4.1Å; V85-L96 HydrophobicContact CG2-CB 3.79Å
86S97.4Very high97.5Very high106 Ų10659.5 Ų59.574%0.74135%0.346SS*.SBendtrans-56.8133.9171-610000110.4
87P97.8Very high97.5Very high74 Ų7459.6 Ų59.648%0.48135%0.346SS..PPolyproline II helixtrans-65.1142.2-174.626-33.9000111.6N92 S94P87-N92 WeakPolarHBondContact CB-O 3.32Å; P87-S94 WeakPolarHBondContact CA-OG 3.38Å
88E97.8Very high97.5Very high47 Ų4755.2 Ų55.222%0.2233%0.33CS..PPolyproline II helixtrans-58.6145.2169.9-174.9-176.7175.700110.5H44 M56 S58 G90 Y91 S94H44-E88 IonicContact CE1-OE1 3.1Å; H44-E88 PolarHBondContact CE1-OE1 2.87Å; H44-E88 IonicContact CE1-OE2 3.9Å; H44-E88 IonicContact CG-OE2 3.89Å; H44-E88 VanDerWaalsContact ND1-CD 3.29Å; H44-E88 IonicContact ND1-OE1 3.14Å; H44-E88 PolarHBondContact ND1-OE1 3.34Å; H44-E88 IonicContact ND1-OE2 2.68Å; H44-E88 PolarHBondContact ND1-OE2 3.48Å; M56-E88 HydrophobicContact SD-CB 4.02Å; M56-E88 HydrophobicContact SD-CG 4.48Å; S58-E88 WeakPolarHBondContact CB-OE2 3.4Å; S58-E88 VanDerWaalsContact OG-CB 3.31Å; S58-E88 WeakPolarHBondContact OG-CB 3.42Å; S58-E88 PolarHBondContact OG-OE2 2.9Å; E88-G90 PolarHBondContact O-N 3.08Å; E88-Y91 HydrophobicContact CB-CD2 3.86Å; E88-Y91 HydrophobicContact CB-CG 4.42Å; E88-Y91 HydrophobicContact CG-CD2 3.84Å; E88-Y91 HydrophobicContact CG-CE2 4.3Å; E88-Y91 PolarHBondContact O-N 3.25Å; E88-S94 PolarHBondContact N-OG 3.36Å
89A97.4Very high97.4Very high96 Ų9648.6 Ų48.679%0.79331%0.306SS*.THydrogen-bonded Turntrans-57.2123.2178.200000111.2
90G96.2Very high97.3Very high70 Ų7053.6 Ų53.672%0.72233%0.326SS*.THydrogen-bonded Turntrans91.3-3.5-176.800000114.9S60 E88S60-G90 PolarHBondContact OG-O 2.82Å; E88-G90 PolarHBondContact O-N 3.08Å
91Y98.4Very high97.1Very high40 Ų4056.7 Ų56.716%0.15735%0.353CS..  trans-115.5164.8176.6-62.8-91.9000110.9H44 E88H44-Y91 HydrophobicContact CB-CE1 3.66Å; H44-Y91 HydrophobicContact CB-CE2 4.06Å; H44-Y91 WeakPolarHBondContact CB-OH 3.5Å; E88-Y91 HydrophobicContact CB-CD2 3.86Å; E88-Y91 HydrophobicContact CB-CG 4.42Å; E88-Y91 HydrophobicContact CG-CD2 3.84Å; E88-Y91 HydrophobicContact CG-CE2 4.3Å; E88-Y91 PolarHBondContact O-N 3.25Å
92N98.1Very high97Very high48 Ų4857 Ų5726%0.25735%0.345SS..SBendtrans-99.7-36.9-176.6-59.7105.8000112.5I59 S60 L61 Y64 P87I59-N92 PolarHBondContact O-N 3.15Å; S60-N92 VanDerWaalsContact CA-OD1 3.3Å; S60-N92 WeakPolarHBondContact CA-OD1 3.19Å; L61-N92 PolarHBondContact N-OD1 3.48Å; L61-N92 PolarHBondContact O-OD1 3.23Å; L61-N92 VanDerWaalsContact O-OD1 3.07Å; Y64-N92 HydrophobicContact CD1-CB 3.67Å; Y64-N92 HydrophobicContact CD2-CB 3.96Å; Y64-N92 HydrophobicContact CE1-CB 4.25Å; Y64-N92 HydrophobicContact CE2-CB 4.48Å; Y64-N92 HydrophobicContact CG-CB 3.5Å; P87-N92 WeakPolarHBondContact CB-O 3.32Å
93V98.5Very high96.8Very high5 Ų550.3 Ų50.33%0.0331%0.312CS..EExtended strand (participates in β ladder)trans-138.2137.3-177.9178.90000108.4S58 I59 Y64 L76 L84 L116S58-V93 CarbonylContact C-O 3.59Å; S58-V93 WeakPolarHBondContact CA-O 3.42Å; I59-V93 HydrophobicContact CG2-CB 3.63Å; I59-V93 HydrophobicContact CG2-CG1 4.41Å; I59-V93 HydrophobicContact CG2-CG2 4.37Å; I59-V93 PolarHBondContact N-O 3.27Å; I59-V93 PolarHBondContact O-N 2.7Å; Y64-V93 HydrophobicContact CD2-CG2 4.21Å; Y64-V93 HydrophobicContact CE1-CG2 4.28Å; Y64-V93 HydrophobicContact CE2-CG2 3.35Å; Y64-V93 WeakPolarHBondContact OH-CG2 3.14Å; L76-V93 HydrophobicContact CD1-CG1 4.17Å; L76-V93 HydrophobicContact CD1-CG2 3.62Å; L84-V93 HydrophobicContact CD1-CG1 3.59Å; V93-L116 HydrophobicContact CG1-CD1 4.22Å
94S98.6Very high96.5Very high0 Ų053.6 Ų53.60%034%0.341CS..EExtended strand (participates in β ladder)trans-132.7134174.6-62.80000111.1V57 S58 V85 P87 E88V57-S94 CarbonylContact O-C 3.56Å; V57-S94 WeakPolarHBondContact O-CA 3.42Å; S58-S94 WeakPolarHBondContact CB-OG 3.38Å; S58-S94 PolarHBondContact OG-OG 3.02Å; V85-S94 WeakPolarHBondContact CG2-O 3.31Å; V85-S94 PolarHBondContact N-O 2.88Å; P87-S94 WeakPolarHBondContact CA-OG 3.38Å; E88-S94 PolarHBondContact N-OG 3.36Å
95L98.6Very high96.3Very high0 Ų054.4 Ų54.40%035%0.346CS..EExtended strand (participates in β ladder)trans-106137.5172.4-53.3-178000108.8M56 V57 Y80 F83 L84 Y97 L116M56-L95 CarbonylContact C-O 3.59Å; M56-L95 VanDerWaalsContact CA-O 3.27Å; M56-L95 WeakPolarHBondContact CA-O 3.3Å; V57-L95 HydrophobicContact CB-CB 4.49Å; V57-L95 PolarHBondContact N-O 3.09Å; V57-L95 PolarHBondContact O-N 3.35Å; Y80-L95 HydrophobicContact CD1-CD1 3.61Å; Y80-L95 HydrophobicContact CD1-CD2 3.87Å; Y80-L95 HydrophobicContact CD1-CG 4.42Å; Y80-L95 HydrophobicContact CD2-CD2 3.96Å; Y80-L95 HydrophobicContact CE1-CD1 3.57Å; Y80-L95 HydrophobicContact CE1-CD2 4.5Å; Y80-L95 HydrophobicContact CG-CD1 4.16Å; Y80-L95 HydrophobicContact CG-CD2 3.58Å; F83-L95 CarbonylContact O-C 3.55Å; F83-L95 VanDerWaalsContact O-CA 3.26Å; F83-L95 WeakPolarHBondContact O-CA 3.26Å; L84-L95 HydrophobicContact CB-CD2 4.42Å; L84-L95 HydrophobicContact CD1-CD2 3.8Å; L95-Y97 HydrophobicContact CB-CE2 3.81Å; L95-Y97 WeakPolarHBondContact CD1-OH 3.32Å; L95-L116 HydrophobicContact CD1-CD1 4.07Å; L95-L116 HydrophobicContact CD1-CD2 4.1Å; L95-L116 HydrophobicContact CG-CD1 4.42Å; L95-L116 HydrophobicContact CG-CD2 4.32Å
96L98.4Very high96.1Very high43 Ų4355.1 Ų55.123%0.22535%0.345CS..EExtended strand (participates in β ladder)trans-120.5126.4178.8-17465.5000110.3P48 K54 M56 F83 V85P48-L96 HydrophobicContact CG-CD1 3.83Å; K54-L96 HydrophobicContact CB-CD1 4.05Å; M56-L96 HydrophobicContact CB-CD1 4.12Å; M56-L96 HydrophobicContact CE-CD1 4.16Å; F83-L96 PolarHBondContact O-N 3.19Å; V85-L96 HydrophobicContact CB-CB 4.37Å; V85-L96 HydrophobicContact CG1-CB 3.64Å; V85-L96 HydrophobicContact CG1-CD2 4.1Å; V85-L96 HydrophobicContact CG2-CB 3.79Å
97Y97.9Very high96Very high3 Ų356.4 Ų56.41%0.01234%0.344CS..EExtended strand (participates in β ladder)trans-115.8125177.2-59-76.6000109.9L15 F19 K54 V55 V57 F83 L95 V109 A113L15-Y97 HydrophobicContact CD1-CD2 4.47Å; L15-Y97 HydrophobicContact CD1-CE2 4.03Å; L15-Y97 HydrophobicContact CD2-CD2 4.04Å; L15-Y97 HydrophobicContact CD2-CE2 4.38Å; F19-Y97 HydrophobicContact CE1-CG 4.22Å; F19-Y97 AromaticContact CZ-CD1 3.77Å; F19-Y97 HydrophobicContact CZ-CD1 3.77Å; F19-Y97 HydrophobicContact CZ-CE1 4.43Å; F19-Y97 AromaticContact CZ-CG 3.83Å; F19-Y97 HydrophobicContact CZ-CG 3.83Å; K54-Y97 WeakPolarHBondContact CA-O 3.49Å; V55-Y97 PolarHBondContact N-O 3.31Å; V55-Y97 PolarHBondContact O-N 3.45Å; V57-Y97 HydrophobicContact CG2-CD2 4.29Å; V57-Y97 HydrophobicContact CG2-CE2 4.05Å; F83-Y97 HydrophobicContact CB-CE1 4.06Å; F83-Y97 AromaticContact CD1-CD1 3.55Å; F83-Y97 HydrophobicContact CD1-CD1 3.55Å; F83-Y97 AromaticContact CD1-CE1 3.58Å; F83-Y97 HydrophobicContact CD1-CE1 3.58Å; F83-Y97 HydrophobicContact CD2-CE1 4.24Å; F83-Y97 AromaticContact CE1-CD1 3.86Å; F83-Y97 HydrophobicContact CE1-CD1 3.86Å; F83-Y97 HydrophobicContact CE1-CE1 4.04Å; F83-Y97 HydrophobicContact CG-CD1 4.16Å; F83-Y97 AromaticContact CG-CE1 3.7Å; F83-Y97 HydrophobicContact CG-CE1 3.7Å; L95-Y97 HydrophobicContact CB-CE2 3.81Å; L95-Y97 WeakPolarHBondContact CD1-OH 3.32Å; Y97-V109 HydrophobicContact CD1-CG1 4.12Å; Y97-V109 HydrophobicContact CE1-CG1 3.45Å; Y97-V109 VanDerWaalsContact CE1-CG1 3.45Å; Y97-A113 HydrophobicContact CE2-CB 4.44Å; Y97-A113 VanDerWaalsContact OH-CB 3.3Å; Y97-A113 WeakPolarHBondContact OH-CB 3.42Å
98D96.9Very high95.9Very high60 Ų6058.2 Ų58.232%0.32135%0.346SS..EExtended strand (participates in β ladder)trans-93.3116.4174.1-169.2-19.8000109.5E100 A101D98-E100 PolarHBondContact O-N 3.29Å; D98-E100 WeakPolarHBondContact OD1-CB 3.39Å; D98-E100 PolarHBondContact OD1-N 3.13Å; D98-A101 HydrophobicContact CB-CB 4.32Å; D98-A101 CarbonylContact O-C 3.6Å; D98-A101 PolarHBondContact O-N 3.46Å
99L95.4Very high95.9Very high15 Ų1556.6 Ų56.68%0.07934%0.339CS..THydrogen-bonded Turntrans-71.5-17.3-179.6-60.8-178.9000112.5K18 F19 A22 P28 T53 V55 L102K18-L99 HydrophobicContact CB-CD2 4.23Å; F19-L99 HydrophobicContact CD1-CD2 3.75Å; F19-L99 HydrophobicContact CE1-CD2 4.03Å; A22-L99 HydrophobicContact CB-CB 3.92Å; A22-L99 HydrophobicContact CB-CD2 4.31Å; P28-L99 HydrophobicContact CB-CD1 4.4Å; T53-L99 WeakPolarHBondContact O-CB 3.22Å; T53-L99 VanDerWaalsContact O-CG 3.24Å; T53-L99 WeakPolarHBondContact O-CG 3.49Å; T53-L99 PolarHBondContact O-N 3.02Å; V55-L99 HydrophobicContact CG2-CD1 3.98Å; V55-L99 HydrophobicContact CG2-CD2 4.15Å; V55-L99 HydrophobicContact CG2-CG 4.13Å; L99-L102 HydrophobicContact CD2-CD2 4.27Å
100E94.6Very high95.9Very high155 Ų15552.3 Ų52.372%0.72430%0.303SS*.THydrogen-bonded Turntrans-83.1-21.5174.6-60.6-174.1161.600112.1T53 D98T53-E100 HydrophobicContact CG2-CG 4.23Å; D98-E100 PolarHBondContact O-N 3.29Å; D98-E100 WeakPolarHBondContact OD1-CB 3.39Å; D98-E100 PolarHBondContact OD1-N 3.13Å
101A93.9Very high96Very high70 Ų7052.8 Ų52.858%0.57929%0.286SS*.SBendtrans-126.252.6-175.800000112D98D98-A101 HydrophobicContact CB-CB 4.32Å; D98-A101 CarbonylContact O-C 3.6Å; D98-A101 PolarHBondContact O-N 3.46Å
102L92.1Very high95.9Very high42 Ų4253.4 Ų53.422%0.2229%0.291CS..  trans-66.6141.5-179.4-69.6178.6000112.7F19 A22 L99F19-L102 HydrophobicContact CB-CD1 4.2Å; F19-L102 HydrophobicContact CD1-CD2 3.61Å; F19-L102 HydrophobicContact CD2-CD2 4.23Å; F19-L102 HydrophobicContact CE1-CD2 3.76Å; F19-L102 HydrophobicContact CE2-CD2 4.35Å; F19-L102 HydrophobicContact CG-CD1 4.41Å; F19-L102 HydrophobicContact CG-CD2 3.87Å; F19-L102 HydrophobicContact CZ-CD2 4.14Å; A22-L102 HydrophobicContact CB-CD1 3.92Å; L99-L102 HydrophobicContact CD2-CD2 4.27Å
103P91.4Very high95.9Very high27 Ų2751.1 Ų51.118%0.17528%0.279CS..  trans-69.5160.2174.231.1-35.3000111.4F83 K106 V109F83-P103 HydrophobicContact CZ-CB 4.43Å; F83-P103 HydrophobicContact CZ-CG 4.09Å; P103-K106 VanDerWaalsContact O-CG 3.29Å; P103-K106 WeakPolarHBondContact O-CG 3.36Å; P103-V109 HydrophobicContact CB-CG2 4.39Å; P103-V109 HydrophobicContact CG-CB 4.29Å; P103-V109 HydrophobicContact CG-CG1 4.43Å; P103-V109 HydrophobicContact CG-CG2 3.83Å
104S91.3Very high95.9Very high126 Ų12651 Ų5188%0.88128%0.278SS*.SBendtrans-69.7-33.1175.5530000112.7K106S104-K106 PolarHBondContact O-N 3.18Å
105N93.7Very high95.9Very high68 Ų6851.8 Ų51.836%0.36428%0.282SS..  trans-94.258-179.163.9-31.6000112.5D107 E108 V109N105-D107 PolarHBondContact O-N 2.92Å; N105-E108 HydrophobicContact CB-CB 4.32Å; N105-E108 PolarHBondContact ND2-OE2 3.47Å; N105-E108 PolarHBondContact O-N 3.16Å; N105-V109 WeakPolarHBondContact O-CG2 3.28Å; N105-V109 PolarHBondContact O-N 2.87Å; N105-V109 VanDerWaalsContact O-N 3.16Å
106K94.2Very high95.8Very high63 Ų6351.8 Ų51.827%0.27428%0.282SS..Hα-helixtrans-54.6-49.3-175-63173.9-170.5160.20113.1F19 S23 P103 S104 E108 V109 V110F19-K106 HydrophobicContact CD2-CB 4.24Å; F19-K106 HydrophobicContact CD2-CG 4.48Å; S23-K106 WeakPolarHBondContact OG-CE 3.49Å; S23-K106 PolarHBondContact OG-NZ 2.83Å; P103-K106 VanDerWaalsContact O-CG 3.29Å; P103-K106 WeakPolarHBondContact O-CG 3.36Å; S104-K106 PolarHBondContact O-N 3.18Å; K106-E108 VanDerWaalsContact C-N 3.3Å; K106-E108 PolarHBondContact O-N 2.97Å; K106-V109 PolarHBondContact O-N 3.3Å; K106-V109 VanDerWaalsContact O-N 3.14Å; K106-V110 WeakPolarHBondContact O-CG2 3.27Å; K106-V110 PolarHBondContact O-N 3.06Å
107D95.1Very high95.8Very high133 Ų13350.4 Ų50.471%0.71127%0.274SS*.Hα-helixtrans-60.3-40.3-176.1-59.5-26.3000112.2N105 H111N105-D107 PolarHBondContact O-N 2.92Å; D107-H111 WeakPolarHBondContact O-CB 3.34Å; D107-H111 PolarHBondContact O-N 3.33Å
108E96Very high95.8Very high112 Ų11251.1 Ų51.152%0.52328%0.276SS..Hα-helixtrans-67.3-42.5177.5-174.1179.5-16700111.3N105 K106 H111 Q112N105-E108 HydrophobicContact CB-CB 4.32Å; N105-E108 PolarHBondContact ND2-OE2 3.47Å; N105-E108 PolarHBondContact O-N 3.16Å; K106-E108 VanDerWaalsContact C-N 3.3Å; K106-E108 PolarHBondContact O-N 2.97Å; E108-H111 PolarHBondContact O-N 3.41Å; E108-Q112 VanDerWaalsContact O-CG 3.32Å; E108-Q112 WeakPolarHBondContact O-CG 3.32Å; E108-Q112 PolarHBondContact O-N 3.41Å
109V96.6Very high95.9Very high12 Ų1248.2 Ų48.27%0.07326%0.261CS..Hα-helixtrans-65.2-42178.3172.50000111.4F19 F83 Y97 P103 N105 K106 Q112 A113F19-V109 HydrophobicContact CE2-CG1 4.34Å; F83-V109 HydrophobicContact CD2-CG1 4.45Å; F83-V109 HydrophobicContact CE2-CG1 3.95Å; F83-V109 HydrophobicContact CE2-CG2 3.97Å; F83-V109 HydrophobicContact CZ-CG1 3.99Å; F83-V109 HydrophobicContact CZ-CG2 4.15Å; Y97-V109 HydrophobicContact CD1-CG1 4.12Å; Y97-V109 HydrophobicContact CE1-CG1 3.45Å; Y97-V109 VanDerWaalsContact CE1-CG1 3.45Å; P103-V109 HydrophobicContact CB-CG2 4.39Å; P103-V109 HydrophobicContact CG-CB 4.29Å; P103-V109 HydrophobicContact CG-CG1 4.43Å; P103-V109 HydrophobicContact CG-CG2 3.83Å; N105-V109 WeakPolarHBondContact O-CG2 3.28Å; N105-V109 PolarHBondContact O-N 2.87Å; N105-V109 VanDerWaalsContact O-N 3.16Å; K106-V109 PolarHBondContact O-N 3.3Å; K106-V109 VanDerWaalsContact O-N 3.14Å; V109-Q112 PolarHBondContact O-N 3.42Å; V109-A113 WeakPolarHBondContact O-CB 3.49Å; V109-A113 PolarHBondContact O-N 2.88Å
110V97.9Very high96Very high6 Ų647.5 Ų47.54%0.03626%0.257CS..Hα-helixtrans-61.1-46.1173.9172.80000110.4E12 L15 F19 K106 Q112 A113 G114E12-V110 HydrophobicContact CB-CG1 3.91Å; E12-V110 HydrophobicContact CG-CG1 4.01Å; L15-V110 HydrophobicContact CB-CG1 4.23Å; L15-V110 HydrophobicContact CB-CG2 4Å; F19-V110 HydrophobicContact CD2-CG2 3.59Å; F19-V110 HydrophobicContact CE2-CG2 3.65Å; K106-V110 WeakPolarHBondContact O-CG2 3.27Å; K106-V110 PolarHBondContact O-N 3.06Å; V110-Q112 PolarHBondContact O-N 3.38Å; V110-A113 WeakPolarHBondContact O-CB 3.5Å; V110-A113 PolarHBondContact O-N 2.84Å; V110-G114 PolarHBondContact O-N 3.33Å
111H97.7Very high96Very high81 Ų8140.4 Ų40.438%0.37522%0.224SC..Hα-helixtrans-62.9-42.6178.6-173.751.9000112.6E12 D107 E108 A113 G114 M115E12-H111 WeakPolarHBondContact OE1-CA 3.43Å; E12-H111 IonicContact OE1-CE1 3.79Å; E12-H111 IonicContact OE1-CG 3.6Å; E12-H111 IonicContact OE1-ND1 3.93Å; E12-H111 PolarHBondContact OE1-ND1 3.02Å; D107-H111 WeakPolarHBondContact O-CB 3.34Å; D107-H111 PolarHBondContact O-N 3.33Å; E108-H111 PolarHBondContact O-N 3.41Å; H111-A113 VanDerWaalsContact C-N 3.3Å; H111-A113 PolarHBondContact O-N 3.14Å; H111-G114 PolarHBondContact O-N 2.82Å; H111-G114 VanDerWaalsContact O-N 3.16Å; H111-M115 WeakPolarHBondContact O-CG 3.44Å; H111-M115 PolarHBondContact O-N 3.36Å; H111-M115 VanDerWaalsContact O-N 3.12Å
112Q97.3Very high96.2Very high53 Ų5337.1 Ų37.125%0.24820%0.197CC..Hα-helixtrans-62.1-37.6174.4-71.2-60.5-29.900112.1Y80 E108 V109 V110 M115 N119Y80-Q112 HydrophobicContact CE1-CB 4.15Å; Y80-Q112 VanDerWaalsContact CE1-O 3.32Å; Y80-Q112 WeakPolarHBondContact CE1-O 3.34Å; Y80-Q112 PolarHBondContact OH-O 2.86Å; E108-Q112 VanDerWaalsContact O-CG 3.32Å; E108-Q112 WeakPolarHBondContact O-CG 3.32Å; E108-Q112 PolarHBondContact O-N 3.41Å; V109-Q112 PolarHBondContact O-N 3.42Å; V110-Q112 PolarHBondContact O-N 3.38Å; Q112-M115 HydrophobicContact CG-CE 4.49Å; Q112-M115 VanDerWaalsContact NE2-CE 3.33Å; Q112-M115 PolarHBondContact O-N 2.93Å; Q112-N119 PolarHBondContact OE1-ND2 2.79Å
113A97.9Very high96.4Very high0 Ų035.3 Ų35.30%019%0.188CC..Hα-helixtrans-63.9-42173.500000111.5I11 L15 Y97 V109 V110 H111 M115 L116I11-A113 HydrophobicContact CG2-CB 3.88Å; L15-A113 HydrophobicContact CD1-CB 3.4Å; L15-A113 VanDerWaalsContact CD1-CB 3.4Å; Y97-A113 HydrophobicContact CE2-CB 4.44Å; Y97-A113 VanDerWaalsContact OH-CB 3.3Å; Y97-A113 WeakPolarHBondContact OH-CB 3.42Å; V109-A113 WeakPolarHBondContact O-CB 3.49Å; V109-A113 PolarHBondContact O-N 2.88Å; V110-A113 WeakPolarHBondContact O-CB 3.5Å; V110-A113 PolarHBondContact O-N 2.84Å; H111-A113 VanDerWaalsContact C-N 3.3Å; H111-A113 PolarHBondContact O-N 3.14Å; A113-M115 PolarHBondContact O-N 3.16Å; A113-L116 VanDerWaalsContact O-CB 3.26Å; A113-L116 WeakPolarHBondContact O-CB 3.39Å; A113-L116 PolarHBondContact O-N 3.33Å; A113-L116 VanDerWaalsContact O-N 3.15Å
114G98.1Very high96.7Very high1 Ų134 Ų341%0.0118%0.179CC..Hα-helixtrans-59.2-28.3174.800000113.5N7 N8 V110 H111 L116N7-G114 WeakPolarHBondContact CA-O 3.18Å; N8-G114 PolarHBondContact N-O 3.3Å; V110-G114 PolarHBondContact O-N 3.33Å; H111-G114 PolarHBondContact O-N 2.82Å; H111-G114 VanDerWaalsContact O-N 3.16Å; G114-L116 VanDerWaalsContact C-N 3.34Å; G114-L116 PolarHBondContact O-N 3.14Å
115M98.1Very high97Very high17 Ų1728 Ų288%0.08414%0.137CC..THydrogen-bonded Turntrans-88.614.9178.3-67-169.4-6900114.5H111 Q112 A113 K117 R118 N119H111-M115 WeakPolarHBondContact O-CG 3.44Å; H111-M115 PolarHBondContact O-N 3.36Å; H111-M115 VanDerWaalsContact O-N 3.12Å; Q112-M115 HydrophobicContact CG-CE 4.49Å; Q112-M115 VanDerWaalsContact NE2-CE 3.33Å; Q112-M115 PolarHBondContact O-N 2.93Å; A113-M115 PolarHBondContact O-N 3.16Å; M115-K117 PolarHBondContact O-N 2.85Å; M115-R118 HydrophobicContact CB-CB 4.45Å; M115-R118 WeakPolarHBondContact O-CA 3.49Å; M115-R118 WeakPolarHBondContact O-CB 3.38Å; M115-R118 PolarHBondContact O-N 3.12Å; M115-N119 PolarHBondContact O-N 3.42Å
116L98.1Very high97.2Very high0 Ų026.3 Ų26.30%013%0.127CC..Hα-helixtrans-56.1-47.9-172.6-174.654.9000114.3Y43 V57 I59 L76 Y80 V93 L95 A113 G114 R118 N119 C120Y43-L116 HydrophobicContact CE1-CB 4.37Å; Y43-L116 HydrophobicContact CE1-CD2 4.17Å; Y43-L116 HydrophobicContact CE1-CG 4.46Å; V57-L116 HydrophobicContact CG1-CD2 4.4Å; I59-L116 HydrophobicContact CB-CD2 3.89Å; I59-L116 HydrophobicContact CB-CG 4.28Å; I59-L116 HydrophobicContact CD1-CG 4.23Å; I59-L116 HydrophobicContact CG2-CD1 4.43Å; I59-L116 HydrophobicContact CG2-CD2 3.66Å; I59-L116 HydrophobicContact CG2-CG 3.84Å; L76-L116 HydrophobicContact CD2-CD1 4.43Å; Y80-L116 HydrophobicContact CD2-CD1 4.49Å; Y80-L116 HydrophobicContact CE2-CD1 3.66Å; Y80-L116 VanDerWaalsContact OH-CA 3.3Å; Y80-L116 WeakPolarHBondContact OH-CA 3.48Å; V93-L116 HydrophobicContact CG1-CD1 4.22Å; L95-L116 HydrophobicContact CD1-CD1 4.07Å; L95-L116 HydrophobicContact CD1-CD2 4.1Å; L95-L116 HydrophobicContact CG-CD1 4.42Å; L95-L116 HydrophobicContact CG-CD2 4.32Å; A113-L116 VanDerWaalsContact O-CB 3.26Å; A113-L116 WeakPolarHBondContact O-CB 3.39Å; A113-L116 PolarHBondContact O-N 3.33Å; A113-L116 VanDerWaalsContact O-N 3.15Å; G114-L116 VanDerWaalsContact C-N 3.34Å; G114-L116 PolarHBondContact O-N 3.14Å; L116-R118 PolarHBondContact O-N 2.73Å; L116-N119 PolarHBondContact O-N 3.48Å; L116-C120 PolarHBondContact O-N 3.4Å; L116-C120 PolarHBondContact O-SG 3.38Å
117K98.3Very high97.4Very high15 Ų1526.6 Ų26.67%0.06513%0.128CC..Hα-helixtrans-56.7-50.6172.6172.7-177176.3-178.50111.3D37 F38 D39 V41 Y43 I59 M115 N119 C120 F121D37-K117 HydrophobicContact CB-CD 4.44Å; F38-K117 VanDerWaalsContact C-NZ 3.32Å; F38-K117 PolarHBondContact O-NZ 2.76Å; D39-K117 WeakPolarHBondContact OD2-CE 3.46Å; D39-K117 IonicContact OD2-NZ 3.69Å; D39-K117 PolarHBondContact OD2-NZ 3.4Å; V41-K117 HydrophobicContact CG2-CD 4.04Å; V41-K117 HydrophobicContact CG2-CG 4.36Å; Y43-K117 WeakPolarHBondContact OH-CB 3.33Å; Y43-K117 PolarHBondContact OH-N 3.11Å; I59-K117 HydrophobicContact CD1-CB 4.07Å; M115-K117 PolarHBondContact O-N 2.85Å; K117-N119 VanDerWaalsContact C-N 3.3Å; K117-N119 PolarHBondContact O-N 3.01Å; K117-C120 WeakPolarHBondContact O-CB 3.33Å; K117-C120 PolarHBondContact O-N 3.43Å; K117-F121 HydrophobicContact CG-CD2 4.06Å; K117-F121 HydrophobicContact CG-CE2 4.11Å; K117-F121 WeakPolarHBondContact O-CD2 3.45Å; K117-F121 PolarHBondContact O-N 3.01Å; K117-F121 VanDerWaalsContact O-N 3.17Å
118R98.1Very high97.5Very high17 Ų1720.4 Ų20.46%0.06410%0.095CC..Hα-helixtrans-56.5-45-179.9176.2-85.6-170.4-168-2.7111.3I6 M115 L116 F121 A122 D238 N242I6-R118 HydrophobicContact CG2-CB 3.9Å; I6-R118 HydrophobicContact CG2-CG 3.84Å; M115-R118 HydrophobicContact CB-CB 4.45Å; M115-R118 WeakPolarHBondContact O-CA 3.49Å; M115-R118 WeakPolarHBondContact O-CB 3.38Å; M115-R118 PolarHBondContact O-N 3.12Å; L116-R118 PolarHBondContact O-N 2.73Å; R118-F121 PolarHBondContact O-N 2.73Å; R118-A122 WeakPolarHBondContact O-CB 3.29Å; R118-A122 PolarHBondContact O-N 3.17Å; R118-D238 IonicContact CZ-OD1 3.6Å; R118-D238 IonicContact NH1-OD1 2.57Å; R118-D238 PolarHBondContact NH2-O 3.29Å; R118-D238 IonicContact NH2-OD1 2.72Å; R118-D238 PolarHBondContact NH2-OD1 3.08Å; R118-N242 PolarHBondContact NE-OD1 2.57Å; R118-N242 PolarHBondContact NH2-OD1 3.35Å
119N97.9Very high97.6Very high0 Ų015 Ų150%07%0.07CC..Hα-helixtrans-69-32.9-178.7-72.7-24000112.3L75 L76 Y80 Q112 M115 L116 K117 F121 A122L75-N119 HydrophobicContact CD2-CB 4.27Å; L75-N119 VanDerWaalsContact CD2-O 3.31Å; L75-N119 WeakPolarHBondContact CD2-O 3.25Å; L76-N119 HydrophobicContact CD2-CB 4.19Å; Y80-N119 HydrophobicContact CE2-CB 4.17Å; Y80-N119 PolarHBondContact OH-ND2 3.31Å; Q112-N119 PolarHBondContact OE1-ND2 2.79Å; M115-N119 PolarHBondContact O-N 3.42Å; L116-N119 PolarHBondContact O-N 3.48Å; K117-N119 VanDerWaalsContact C-N 3.3Å; K117-N119 PolarHBondContact O-N 3.01Å; N119-F121 PolarHBondContact O-N 3.09Å; N119-A122 PolarHBondContact O-N 3.49Å
120C97.3Very high97.6Very high0 Ų019.8 Ų19.80%09%0.09CC..Hα-helixtrans-59.2-47.3169.9-64.60000111.2L61 L67 L116 K117 S123L61-C120 HydrophobicContact CD2-CB 4.45Å; L67-C120 HydrophobicContact CD1-CB 4.2Å; L116-C120 PolarHBondContact O-N 3.4Å; L116-C120 PolarHBondContact O-SG 3.38Å; K117-C120 WeakPolarHBondContact O-CB 3.33Å; K117-C120 PolarHBondContact O-N 3.43Å; C120-S123 PolarHBondContact O-OG 3.42Å; C120-S123 VanDerWaalsContact O-OG 3.05Å
121F96.2Very high97.6Very high6 Ų620.9 Ų20.93%0.0269%0.094CC..Hα-helixtrans-69.3-31178.2-87.4-84.8000113.9L61 F63 L67 K117 R118 N119 S123 V124 F125 V144 M152L61-F121 HydrophobicContact CD2-CE2 4.31Å; F63-F121 HydrophobicContact CD2-CZ 4.3Å; F63-F121 HydrophobicContact CE1-CZ 4.49Å; F63-F121 HydrophobicContact CE2-CD2 4.49Å; F63-F121 AromaticContact CE2-CE1 3.82Å; F63-F121 HydrophobicContact CE2-CE1 3.82Å; F63-F121 AromaticContact CE2-CE2 3.58Å; F63-F121 HydrophobicContact CE2-CE2 3.58Å; F63-F121 AromaticContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CE2-CZ 3.19Å; F63-F121 HydrophobicContact CZ-CE1 4.31Å; F63-F121 AromaticContact CZ-CE2 3.64Å; F63-F121 HydrophobicContact CZ-CE2 3.64Å; F63-F121 AromaticContact CZ-CZ 3.32Å; F63-F121 HydrophobicContact CZ-CZ 3.32Å; L67-F121 HydrophobicContact CD2-CD1 4.36Å; K117-F121 HydrophobicContact CG-CD2 4.06Å; K117-F121 HydrophobicContact CG-CE2 4.11Å; K117-F121 WeakPolarHBondContact O-CD2 3.45Å; K117-F121 PolarHBondContact O-N 3.01Å; K117-F121 VanDerWaalsContact O-N 3.17Å; R118-F121 PolarHBondContact O-N 2.73Å; N119-F121 PolarHBondContact O-N 3.09Å; F121-S123 PolarHBondContact O-N 3.23Å; F121-S123 VanDerWaalsContact O-N 3.09Å; F121-V124 WeakPolarHBondContact O-CG1 3.44Å; F121-V124 PolarHBondContact O-N 2.95Å; F121-F125 HydrophobicContact CB-CE2 4.39Å; F121-F125 VanDerWaalsContact O-CD2 3.26Å; F121-F125 WeakPolarHBondContact O-CD2 3.35Å; F121-V144 HydrophobicContact CE1-CG1 4.35Å; F121-M152 HydrophobicContact CD1-CE 4.15Å; F121-M152 HydrophobicContact CE1-CE 4.19Å
122A97.5Very high97.6Very high0 Ų018 Ų180%08%0.081CC..Hα-helixtrans-57.6-30.8-172.500000113.4L75 R118 N119 V124 F125 E126 I241L75-A122 HydrophobicContact CD1-CB 3.84Å; R118-A122 WeakPolarHBondContact O-CB 3.29Å; R118-A122 PolarHBondContact O-N 3.17Å; N119-A122 PolarHBondContact O-N 3.49Å; A122-V124 PolarHBondContact O-N 3.35Å; A122-F125 PolarHBondContact O-N 3.06Å; A122-F125 VanDerWaalsContact O-N 3.14Å; A122-E126 PolarHBondContact O-N 2.9Å; A122-I241 HydrophobicContact CB-CD1 4.39Å; A122-I241 HydrophobicContact CB-CG2 4.08Å
123S96Very high97.5Very high4 Ų421 Ų213%0.02810%0.095CC..Hα-helixtrans-56.8-47.9-175.957.90000113.2G71 C120 F121 F125 E126 K127G71-S123 WeakPolarHBondContact O-CB 3.34Å; C120-S123 PolarHBondContact O-OG 3.42Å; C120-S123 VanDerWaalsContact O-OG 3.05Å; F121-S123 PolarHBondContact O-N 3.23Å; F121-S123 VanDerWaalsContact O-N 3.09Å; S123-F125 VanDerWaalsContact C-N 3.33Å; S123-F125 PolarHBondContact O-N 3.37Å; S123-E126 PolarHBondContact O-N 2.87Å; S123-K127 WeakPolarHBondContact O-CB 3.39Å; S123-K127 PolarHBondContact O-N 2.72Å
124V97.8Very high97.4Very high0 Ų025.3 Ų25.30%012%0.115CC..Hα-helixtrans-65-38.3179.270.10000110.9L67 H70 F121 A122 Y128 A142 V144 M152 L154L67-V124 HydrophobicContact CD2-CG1 4.24Å; H70-V124 HydrophobicContact CB-CB 3.9Å; H70-V124 HydrophobicContact CB-CG2 3.9Å; F121-V124 WeakPolarHBondContact O-CG1 3.44Å; F121-V124 PolarHBondContact O-N 2.95Å; A122-V124 PolarHBondContact O-N 3.35Å; V124-Y128 HydrophobicContact CG2-CD2 4.19Å; V124-Y128 HydrophobicContact CG2-CE2 4.02Å; V124-Y128 WeakPolarHBondContact O-CD2 3.5Å; V124-Y128 PolarHBondContact O-N 2.85Å; V124-A142 HydrophobicContact CG2-CB 3.5Å; V124-V144 HydrophobicContact CG2-CG2 4.5Å; V124-M152 HydrophobicContact CG1-CE 4.36Å; V124-L154 HydrophobicContact CG1-CD1 4.3Å; V124-L154 HydrophobicContact CG1-CD2 4.27Å; V124-L154 HydrophobicContact CG2-CD1 4.03Å; V124-L154 HydrophobicContact CG2-CD2 4.17Å
125F98.3Very high97.2Very high0 Ų027.3 Ų27.30%014%0.135CC..Hα-helixtrans-68.4-46.8176.9-63.1-78.2000111.9F121 A122 S123 K127 Y128 F129 M152 L154 V163 I241 I244 H245F121-F125 HydrophobicContact CB-CE2 4.39Å; F121-F125 VanDerWaalsContact O-CD2 3.26Å; F121-F125 WeakPolarHBondContact O-CD2 3.35Å; A122-F125 PolarHBondContact O-N 3.06Å; A122-F125 VanDerWaalsContact O-N 3.14Å; S123-F125 VanDerWaalsContact C-N 3.33Å; S123-F125 PolarHBondContact O-N 3.37Å; F125-K127 VanDerWaalsContact C-N 3.3Å; F125-K127 PolarHBondContact O-N 3.09Å; F125-Y128 PolarHBondContact O-N 3.12Å; F125-F129 HydrophobicContact CB-CE1 4.42Å; F125-F129 HydrophobicContact CB-CE2 4.35Å; F125-F129 HydrophobicContact CB-CZ 4.15Å; F125-F129 HydrophobicContact CD1-CZ 4.43Å; F125-F129 WeakPolarHBondContact O-CB 3.26Å; F125-F129 VanDerWaalsContact O-CD1 3.24Å; F125-F129 WeakPolarHBondContact O-CD1 3.48Å; F125-F129 WeakPolarHBondContact O-CG 3.04Å; F125-F129 PolarHBondContact O-N 2.88Å; F125-M152 HydrophobicContact CE1-SD 4.16Å; F125-M152 HydrophobicContact CE2-CE 4.33Å; F125-M152 HydrophobicContact CZ-CE 3.89Å; F125-M152 HydrophobicContact CZ-SD 3.6Å; F125-M152 VanDerWaalsContact CZ-SD 3.6Å; F125-L154 HydrophobicContact CD1-CD2 3.4Å; F125-L154 HydrophobicContact CE1-CD2 3.6Å; F125-L154 HydrophobicContact CE1-CG 4.42Å; F125-L154 HydrophobicContact CG-CD2 4.08Å; F125-L154 HydrophobicContact CZ-CD2 4.42Å; F125-V163 HydrophobicContact CD1-CG2 4.47Å; F125-V163 HydrophobicContact CE1-CG1 4.16Å; F125-V163 HydrophobicContact CE1-CG2 4.17Å; F125-I241 HydrophobicContact CB-CD1 3.8Å; F125-I241 HydrophobicContact CB-CG1 3.62Å; F125-I241 HydrophobicContact CD2-CG1 4.38Å; F125-I241 HydrophobicContact CD2-CG2 4.19Å; F125-I241 HydrophobicContact CG-CG1 4.08Å; F125-I244 HydrophobicContact CD1-CG2 3.95Å; F125-I244 HydrophobicContact CE1-CG1 4.39Å; F125-I244 HydrophobicContact CE1-CG2 3.51Å; F125-I244 HydrophobicContact CE2-CG2 4.39Å; F125-I244 HydrophobicContact CZ-CG2 3.76Å; F125-H245 HydrophobicContact CE2-CB 4.2Å
126E97.7Very high96.9Very high33 Ų3330.9 Ų30.915%0.15415%0.15CC..Hα-helixtrans-57.8-42.4178.9-76.5-169.2-166.900112.2L75 R78 A122 S123 Y128 F129 K130 I241L75-E126 HydrophobicContact CD1-CG 4.36Å; R78-E126 IonicContact CZ-OE2 2.86Å; R78-E126 IonicContact NH1-OE2 2.71Å; R78-E126 VanDerWaalsContact NH2-CD 3.3Å; R78-E126 IonicContact NH2-OE1 3.4Å; R78-E126 PolarHBondContact NH2-OE1 3.42Å; R78-E126 VanDerWaalsContact NH2-OE1 3.09Å; R78-E126 IonicContact NH2-OE2 3.47Å; R78-E126 PolarHBondContact NH2-OE2 3.45Å; A122-E126 PolarHBondContact O-N 2.9Å; S123-E126 PolarHBondContact O-N 2.87Å; E126-Y128 PolarHBondContact O-N 2.72Å; E126-F129 PolarHBondContact O-N 2.89Å; E126-K130 VanDerWaalsContact O-CB 3.32Å; E126-K130 WeakPolarHBondContact O-CB 3.41Å; E126-K130 PolarHBondContact O-N 3.24Å; E126-I241 HydrophobicContact CG-CD1 4.1Å
127K97.4Very high96.5Very high69 Ų6936.1 Ų36.130%0.318%0.175SC..Hα-helixtrans-57.7-48.1177.7-179.4174178.2171.50111.7E69 H70 S123 F125 K130 F131E69-K127 PolarHBondContact O-NZ 2.69Å; E69-K127 VanDerWaalsContact O-NZ 3.15Å; H70-K127 HydrophobicContact CB-CD 4.02Å; S123-K127 WeakPolarHBondContact O-CB 3.39Å; S123-K127 PolarHBondContact O-N 2.72Å; F125-K127 VanDerWaalsContact C-N 3.3Å; F125-K127 PolarHBondContact O-N 3.09Å; K127-K130 PolarHBondContact O-N 3.41Å; K127-F131 HydrophobicContact CD-CE2 4.48Å; K127-F131 HydrophobicContact CD-CZ 4.38Å; K127-F131 HydrophobicContact CG-CE1 4.38Å; K127-F131 HydrophobicContact CG-CE2 3.95Å; K127-F131 HydrophobicContact CG-CZ 3.89Å; K127-F131 WeakPolarHBondContact O-CG 3.43Å; K127-F131 PolarHBondContact O-N 3.05Å
128Y98Very high96.1Very high2 Ų239.3 Ų39.31%0.00821%0.212CC..Hα-helixtrans-78-30.3-177-76.8-100.8000112.9H70 V124 F125 E126 K130 F131 Q132 K140 A142 L154 A156H70-Y128 AromaticContact ND1-CE2 3.86Å; V124-Y128 HydrophobicContact CG2-CD2 4.19Å; V124-Y128 HydrophobicContact CG2-CE2 4.02Å; V124-Y128 WeakPolarHBondContact O-CD2 3.5Å; V124-Y128 PolarHBondContact O-N 2.85Å; F125-Y128 PolarHBondContact O-N 3.12Å; E126-Y128 PolarHBondContact O-N 2.72Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; Y128-F131 HydrophobicContact CD1-CD2 4.22Å; Y128-F131 HydrophobicContact CE1-CD2 4.37Å; Y128-F131 HydrophobicContact CG-CD2 4.42Å; Y128-F131 PolarHBondContact O-N 3.14Å; Y128-Q132 PolarHBondContact O-N 2.54Å; Y128-Q132 VanDerWaalsContact O-N 3.09Å; Y128-K140 PolarHBondContact OH-O 2.82Å; Y128-A142 HydrophobicContact CE2-CB 3.57Å; Y128-A142 WeakPolarHBondContact OH-CA 3.33Å; Y128-A142 WeakPolarHBondContact OH-CB 3.46Å; Y128-A142 PolarHBondContact OH-N 3.4Å; Y128-L154 HydrophobicContact CD1-CB 4.27Å; Y128-L154 HydrophobicContact CD2-CB 4.32Å; Y128-L154 WeakPolarHBondContact CE1-O 3.47Å; Y128-L154 HydrophobicContact CG-CB 4.15Å; Y128-A156 HydrophobicContact CD1-CB 4.01Å
129F97.9Very high95.9Very high0 Ų042.7 Ų42.70%023%0.228CC..Hα-helixtrans-63.7-41171.1-67.92.7000110.3F125 E126 Q132 E133 V161 L227 T232 R237 T240 I241F125-F129 HydrophobicContact CB-CE1 4.42Å; F125-F129 HydrophobicContact CB-CE2 4.35Å; F125-F129 HydrophobicContact CB-CZ 4.15Å; F125-F129 HydrophobicContact CD1-CZ 4.43Å; F125-F129 WeakPolarHBondContact O-CB 3.26Å; F125-F129 VanDerWaalsContact O-CD1 3.24Å; F125-F129 WeakPolarHBondContact O-CD1 3.48Å; F125-F129 WeakPolarHBondContact O-CG 3.04Å; F125-F129 PolarHBondContact O-N 2.88Å; E126-F129 PolarHBondContact O-N 2.89Å; F129-Q132 PolarHBondContact O-N 3.16Å; F129-E133 WeakPolarHBondContact O-CB 3.5Å; F129-E133 PolarHBondContact O-N 3.01Å; F129-V161 HydrophobicContact CD1-CB 4.25Å; F129-V161 HydrophobicContact CD1-CG1 4.07Å; F129-V161 HydrophobicContact CD1-CG2 4Å; F129-V161 HydrophobicContact CE1-CB 4.35Å; F129-V161 HydrophobicContact CE1-CG1 4.04Å; F129-L227 HydrophobicContact CE1-CD1 3.81Å; F129-L227 HydrophobicContact CZ-CD1 3.85Å; F129-T232 HydrophobicContact CD1-CG2 3.56Å; F129-T232 HydrophobicContact CD2-CG2 4.25Å; F129-T232 HydrophobicContact CE1-CG2 3.7Å; F129-T232 HydrophobicContact CE2-CG2 4.37Å; F129-T232 HydrophobicContact CG-CG2 3.86Å; F129-T232 HydrophobicContact CZ-CG2 4.11Å; F129-R237 HydrophobicContact CD2-CB 3.9Å; F129-R237 HydrophobicContact CE2-CB 4.13Å; F129-T240 HydrophobicContact CE2-CG2 4.27Å; F129-T240 HydrophobicContact CZ-CG2 3.97Å; F129-I241 HydrophobicContact CE2-CD1 4.3Å; F129-I241 HydrophobicContact CE2-CG1 3.97Å; F129-I241 HydrophobicContact CZ-CG1 4.46Å
130K96.7Very high95.6Very high111 Ų11151.4 Ų51.448%0.48327%0.266SS..Hα-helixtrans-66-41.1174.9-174.5173.3176.1176.70112.6E126 K127 Y128 Q132 E133 E134E126-K130 VanDerWaalsContact O-CB 3.32Å; E126-K130 WeakPolarHBondContact O-CB 3.41Å; E126-K130 PolarHBondContact O-N 3.24Å; K127-K130 PolarHBondContact O-N 3.41Å; Y128-K130 VanDerWaalsContact C-N 3.29Å; K130-Q132 VanDerWaalsContact C-N 3.31Å; K130-Q132 PolarHBondContact O-N 3.44Å; K130-E133 PolarHBondContact O-N 2.96Å; K130-E134 WeakPolarHBondContact CE-OE1 3.33Å; K130-E134 HydrophobicContact CG-CG 4.27Å; K130-E134 IonicContact NZ-OE1 2.77Å; K130-E134 WeakPolarHBondContact O-CB 3.21Å; K130-E134 WeakPolarHBondContact O-CG 3.49Å; K130-E134 PolarHBondContact O-N 3.26Å
131F97.4Very high95.5Very high29 Ų2953.7 Ų53.713%0.12728%0.275CS..Hα-helixtrans-57.4-44.3173.4-70.3-18.9000112.2K127 Y128 E134 G135 K136 E139 A156K127-F131 HydrophobicContact CD-CE2 4.48Å; K127-F131 HydrophobicContact CD-CZ 4.38Å; K127-F131 HydrophobicContact CG-CE1 4.38Å; K127-F131 HydrophobicContact CG-CE2 3.95Å; K127-F131 HydrophobicContact CG-CZ 3.89Å; K127-F131 WeakPolarHBondContact O-CG 3.43Å; K127-F131 PolarHBondContact O-N 3.05Å; Y128-F131 HydrophobicContact CD1-CD2 4.22Å; Y128-F131 HydrophobicContact CE1-CD2 4.37Å; Y128-F131 HydrophobicContact CG-CD2 4.42Å; Y128-F131 PolarHBondContact O-N 3.14Å; F131-E134 PolarHBondContact O-N 2.98Å; F131-G135 PolarHBondContact O-N 3.25Å; F131-G135 VanDerWaalsContact O-N 3.1Å; F131-K136 HydrophobicContact CB-CB 4.3Å; F131-K136 HydrophobicContact CD1-CB 4.44Å; F131-K136 HydrophobicContact CD1-CD 4.04Å; F131-K136 HydrophobicContact CE1-CD 4.42Å; F131-K136 PolarHBondContact O-N 2.81Å; F131-E139 HydrophobicContact CD2-CB 3.92Å; F131-E139 HydrophobicContact CD2-CG 3.87Å; F131-E139 HydrophobicContact CE2-CB 3.84Å; F131-E139 HydrophobicContact CE2-CG 3.86Å; F131-E139 HydrophobicContact CG-CG 4.2Å; F131-E139 HydrophobicContact CZ-CG 4.18Å; F131-A156 HydrophobicContact CB-CB 3.78Å
132Q97.1Very high95.5Very high20 Ų2053.4 Ų53.49%0.09327%0.273CS..Hα-helixtrans-65.3-41.9176.1-173.6-83.7-63.600112.1Y128 F129 K130 G135 A156 K157 K158 V161 T232Y128-Q132 PolarHBondContact O-N 2.54Å; Y128-Q132 VanDerWaalsContact O-N 3.09Å; F129-Q132 PolarHBondContact O-N 3.16Å; K130-Q132 VanDerWaalsContact C-N 3.31Å; K130-Q132 PolarHBondContact O-N 3.44Å; Q132-G135 PolarHBondContact O-N 3.38Å; Q132-A156 HydrophobicContact CB-CB 4.37Å; Q132-K157 WeakPolarHBondContact CG-O 3.17Å; Q132-K158 PolarHBondContact NE2-O 3.23Å; Q132-V161 HydrophobicContact CB-CG2 3.51Å; Q132-V161 HydrophobicContact CG-CG2 3.9Å; Q132-T232 PolarHBondContact OE1-OG1 3.34Å; Q132-T232 VanDerWaalsContact OE1-OG1 3.05Å
133E95.8Very high95.4Very high117 Ų11755.2 Ų55.255%0.54728%0.284SS..Hα-helixtrans-62.9-39.2177.7-176.3170-152.200112.5F129 K130 G135 R237F129-E133 WeakPolarHBondContact O-CB 3.5Å; F129-E133 PolarHBondContact O-N 3.01Å; K130-E133 PolarHBondContact O-N 2.96Å; E133-G135 VanDerWaalsContact C-N 3.3Å; E133-R237 IonicContact OE2-NH2 3.84Å; E133-R237 PolarHBondContact OE2-NH2 2.82Å
134E95.8Very high95.4Very high91 Ų9155 Ų5543%0.42528%0.283SS..THydrogen-bonded Turntrans-81.5-5.9177.6-67.3178.5170.700113.5K130 F131 K136K130-E134 WeakPolarHBondContact CE-OE1 3.33Å; K130-E134 HydrophobicContact CG-CG 4.27Å; K130-E134 IonicContact NZ-OE1 2.77Å; K130-E134 WeakPolarHBondContact O-CB 3.21Å; K130-E134 WeakPolarHBondContact O-CG 3.49Å; K130-E134 PolarHBondContact O-N 3.26Å; F131-E134 PolarHBondContact O-N 2.98Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 HydrophobicContact CB-CD 4.38Å; E134-K136 HydrophobicContact CB-CG 4.18Å; E134-K136 PolarHBondContact O-N 3.24Å; E134-K136 WeakPolarHBondContact OE2-CD 3.42Å; E134-K136 WeakPolarHBondContact OE2-CE 3.43Å; E134-K136 IonicContact OE2-NZ 2.73Å; E134-K136 PolarHBondContact OE2-NZ 2.81Å
135G93.2Very high95.4Very high42 Ų4257.9 Ų57.943%0.43330%0.296SS..THydrogen-bonded Turntrans67.825.9-175.800000113.9F131 Q132 E133 E137F131-G135 PolarHBondContact O-N 3.25Å; F131-G135 VanDerWaalsContact O-N 3.1Å; Q132-G135 PolarHBondContact O-N 3.38Å; E133-G135 VanDerWaalsContact C-N 3.3Å; G135-E137 PolarHBondContact O-N 2.91Å
136K92.6Very high95.3Very high92 Ų9258.1 Ų58.140%0.430%0.297SS..  trans-80106.8175.1-71.5178.7175.7162.30109.8F131 E134 E139F131-K136 HydrophobicContact CB-CB 4.3Å; F131-K136 HydrophobicContact CD1-CB 4.44Å; F131-K136 HydrophobicContact CD1-CD 4.04Å; F131-K136 HydrophobicContact CE1-CD 4.42Å; F131-K136 PolarHBondContact O-N 2.81Å; E134-K136 VanDerWaalsContact C-N 3.29Å; E134-K136 HydrophobicContact CB-CD 4.38Å; E134-K136 HydrophobicContact CB-CG 4.18Å; E134-K136 PolarHBondContact O-N 3.24Å; E134-K136 WeakPolarHBondContact OE2-CD 3.42Å; E134-K136 WeakPolarHBondContact OE2-CE 3.43Å; E134-K136 IonicContact OE2-NZ 2.73Å; E134-K136 PolarHBondContact OE2-NZ 2.81Å; K136-E139 HydrophobicContact CB-CG 4.25Å
137E90Very high95.2Very high111 Ų11160.2 Ų60.252%0.51930%0.304SS..  trans-103.6154.6-179.9-62.9-178.8-137.500111.2G135 E139 K158G135-E137 PolarHBondContact O-N 2.91Å; E137-E139 VanDerWaalsContact C-N 3.25Å; E137-E139 PolarHBondContact O-N 3.06Å; E137-K158 HydrophobicContact CG-CB 4.28Å; E137-K158 WeakPolarHBondContact OE1-CB 3.42Å; E137-K158 VanDerWaalsContact OE1-CD 3.29Å; E137-K158 WeakPolarHBondContact OE1-CD 2.78Å; E137-K158 WeakPolarHBondContact OE1-CG 3.32Å
138G88.6Confident95Very high81 Ų8163.1 Ų63.184%0.83532%0.322SS*.SBendtrans77.57.4175.900000114.9
139E94Very high94.8Very high89 Ų8965.9 Ų65.942%0.41634%0.337SS..PPolyproline II helixtrans-60.6142.5171.2-65.9-64159.900110.5F131 K136 E137 R141F131-E139 HydrophobicContact CD2-CB 3.92Å; F131-E139 HydrophobicContact CD2-CG 3.87Å; F131-E139 HydrophobicContact CE2-CB 3.84Å; F131-E139 HydrophobicContact CE2-CG 3.86Å; F131-E139 HydrophobicContact CG-CG 4.2Å; F131-E139 HydrophobicContact CZ-CG 4.18Å; K136-E139 HydrophobicContact CB-CG 4.25Å; E137-E139 VanDerWaalsContact C-N 3.25Å; E137-E139 PolarHBondContact O-N 3.06Å; E139-R141 PolarHBondContact O-N 2.68Å
140K92.6Very high94.7Very high182 Ų18266 Ų6679%0.79134%0.338SS*.PPolyproline II helixtrans-58.4127.8177.1-176.4-175175.9-171.10108.9Y128Y128-K140 PolarHBondContact OH-O 2.82Å
141R94.3Very high94.7Very high48 Ų4861.3 Ų61.318%0.18132%0.319CS..PPolyproline II helixtrans-59.6153.9175.973.9-173.874.2174.39.5112.5E139 V143 L154 E155 E208 D211E139-R141 PolarHBondContact O-N 2.68Å; R141-V143 HydrophobicContact CG-CG2 4.39Å; R141-L154 CarbonylContact C-O 3.5Å; R141-L154 VanDerWaalsContact CA-O 3.29Å; R141-L154 WeakPolarHBondContact CA-O 3.45Å; R141-L154 WeakPolarHBondContact CB-O 3.35Å; R141-E155 HydrophobicContact CB-CB 4.31Å; R141-E208 VanDerWaalsContact CZ-O 3.24Å; R141-E208 PolarHBondContact NH1-O 3.26Å; R141-E208 PolarHBondContact NH2-O 3.31Å; R141-D211 IonicContact CZ-OD1 3.62Å; R141-D211 IonicContact NH1-OD1 2.74Å; R141-D211 PolarHBondContact NH1-OD1 3.37Å; R141-D211 IonicContact NH2-OD1 3.3Å; R141-D211 PolarHBondContact NH2-OD1 3.41Å; R141-D211 IonicContact NH2-OD2 3.09Å; R141-D211 PolarHBondContact NH2-OD2 2.79Å; R141-D211 VanDerWaalsContact NH2-OD2 3.14Å
142A96.2Very high94.7Very high0 Ų060 Ų600%031%0.314CS..EExtended strand (participates in β ladder)trans-88143.2172.300000108.6H70 V124 Y128 Y153 L154H70-A142 VanDerWaalsContact CE1-CB 3.49Å; H70-A142 WeakPolarHBondContact CE1-CB 3.29Å; H70-A142 VanDerWaalsContact NE2-CB 3.33Å; H70-A142 WeakPolarHBondContact NE2-CB 3.48Å; V124-A142 HydrophobicContact CG2-CB 3.5Å; Y128-A142 HydrophobicContact CE2-CB 3.57Å; Y128-A142 WeakPolarHBondContact OH-CA 3.33Å; Y128-A142 WeakPolarHBondContact OH-CB 3.46Å; Y128-A142 PolarHBondContact OH-N 3.4Å; A142-Y153 VanDerWaalsContact O-CA 3.28Å; A142-Y153 WeakPolarHBondContact O-CA 3.13Å; A142-L154 HydrophobicContact CB-CB 4.16Å; A142-L154 HydrophobicContact CB-CD1 4.27Å; A142-L154 PolarHBondContact N-O 3.47Å; A142-L154 PolarHBondContact O-N 3.44Å
143V96.1Very high94.7Very high38 Ų3859.3 Ų59.323%0.2331%0.31CS..EExtended strand (participates in β ladder)trans-127.4120.4170.5-1720000106.4R141 M152 Y153R141-V143 HydrophobicContact CG-CG2 4.39Å; V143-M152 WeakPolarHBondContact CA-O 3.35Å; V143-Y153 HydrophobicContact CB-CD1 4.48Å; V143-Y153 HydrophobicContact CG1-CD1 4.13Å; V143-Y153 HydrophobicContact CG1-CE1 3.8Å; V143-Y153 HydrophobicContact CG2-CD1 3.9Å; V143-Y153 HydrophobicContact CG2-CE1 4.11Å
144V96.7Very high94.8Very high0 Ų053.7 Ų53.70%028%0.284CS..EExtended strand (participates in β ladder)trans-123.7113.7179.6-177.80000108.8F63 E66 L67 F121 V124 Y146 S151 M152F63-V144 HydrophobicContact CD2-CG1 3.86Å; F63-V144 HydrophobicContact CG-CG1 4.37Å; E66-V144 WeakPolarHBondContact OE2-CA 3.39Å; L67-V144 HydrophobicContact CD2-CG1 3.91Å; L67-V144 HydrophobicContact CD2-CG2 4.03Å; F121-V144 HydrophobicContact CE1-CG1 4.35Å; V124-V144 HydrophobicContact CG2-CG2 4.5Å; V144-Y146 PolarHBondContact O-N 3.02Å; V144-S151 CarbonylContact O-C 3.55Å; V144-S151 WeakPolarHBondContact O-CA 3.39Å; V144-M152 HydrophobicContact CB-CB 4.47Å; V144-M152 HydrophobicContact CB-CE 4.05Å; V144-M152 HydrophobicContact CG1-CE 4.37Å; V144-M152 HydrophobicContact CG2-CE 4.22Å; V144-M152 PolarHBondContact N-O 3.41Å; V144-M152 PolarHBondContact O-N 2.68Å
145H96.9Very high94.8Very high60 Ų6051.6 Ų51.628%0.27827%0.274SS..EExtended strand (participates in β ladder)trans-82.269.2176.5-61.893.9000110F63 E66 R147 E150 S151F63-H145 WeakPolarHBondContact CB-O 3.28Å; F63-H145 VanDerWaalsContact CD1-O 3.25Å; F63-H145 WeakPolarHBondContact CD1-O 3.2Å; E66-H145 IonicContact OE1-CE1 3.72Å; E66-H145 IonicContact OE1-CG 2.74Å; E66-H145 IonicContact OE1-ND1 3.65Å; E66-H145 PolarHBondContact OE1-ND1 2.86Å; E66-H145 IonicContact OE2-CG 2.87Å; E66-H145 PolarHBondContact OE2-N 2.65Å; E66-H145 IonicContact OE2-ND1 3.99Å; H145-R147 PolarHBondContact O-N 3.05Å; H145-R147 VanDerWaalsContact O-N 3.09Å; H145-E150 CarbonylContact C-O 3.49Å; H145-S151 PolarHBondContact CD2-OG 3.39Å; H145-S151 PolarHBondContact NE2-OG 3.4Å
146Y96.3Very high94.9Very high5 Ų550 Ų502%0.0226%0.257CS..EExtended strand (participates in β ladder)trans-64.4-15.8-174.567-85.1000113F63 V144 E150 M152 F165 S166 R248F63-Y146 WeakPolarHBondContact CE1-O 3.39Å; V144-Y146 PolarHBondContact O-N 3.02Å; Y146-E150 HydrophobicContact CE1-CB 4.02Å; Y146-E150 HydrophobicContact CE2-CB 3.95Å; Y146-E150 PolarHBondContact N-O 3.13Å; Y146-E150 PolarHBondContact OH-OE2 3.14Å; Y146-M152 HydrophobicContact CD1-CB 3.67Å; Y146-M152 HydrophobicContact CE1-CB 3.84Å; Y146-F165 HydrophobicContact CE1-CD1 4.13Å; Y146-S166 PolarHBondContact OH-O 3.5Å; Y146-S166 VanDerWaalsContact OH-O 3.13Å; Y146-R248 HydrophobicContact CE2-CB 4.23Å; Y146-R248 HydrophobicContact CE2-CG 3.8Å
147R96.2Very high95Very high78 Ų7848.6 Ų48.629%0.29425%0.251SS..EExtended strand (participates in β ladder)trans-139.6167.2164.7-54.6177.861.882.211.6109.9D39 H145 D149 E150 R248D39-R147 HydrophobicContact CB-CG 4.38Å; D39-R147 IonicContact OD1-NH1 3.79Å; H145-R147 PolarHBondContact O-N 3.05Å; H145-R147 VanDerWaalsContact O-N 3.09Å; R147-D149 PolarHBondContact O-N 2.71Å; R147-D149 VanDerWaalsContact O-N 3.08Å; R147-E150 HydrophobicContact CB-CB 3.99Å; R147-E150 HydrophobicContact CB-CG 4.34Å; R147-E150 WeakPolarHBondContact CD-OE1 3.16Å; R147-E150 HydrophobicContact CG-CB 4.45Å; R147-E150 PolarHBondContact N-O 2.9Å; R147-E150 IonicContact NE-OE1 2.7Å; R147-E150 PolarHBondContact O-N 3.4Å; R147-R248 VanDerWaalsContact CD-CZ 3.42Å; R147-R248 VanDerWaalsContact NE-NH2 3.18Å
148D92.7Very high95.1Very high129 Ų12950.2 Ų50.269%0.6926%0.256SS*.THydrogen-bonded Turntrans-57.2-28.2-175.9-61.7-25.4000113.6K62K62-D148 WeakPolarHBondContact CD-OD1 3.28Å; K62-D148 IonicContact NZ-OD1 2.98Å; K62-D148 PolarHBondContact NZ-OD1 3.09Å; K62-D148 IonicContact NZ-OD2 3.94Å; K62-D148 PolarHBondContact NZ-OD2 2.95Å
149D94.1Very high95.4Very high60 Ų6050 Ų5032%0.32124%0.236SC..THydrogen-bonded Turntrans-128.513.9-178.462.8-28.8000113.8R147 V168 K170R147-D149 PolarHBondContact O-N 2.71Å; R147-D149 VanDerWaalsContact O-N 3.08Å; D149-V168 HydrophobicContact CB-CG2 4.35Å; D149-V168 WeakPolarHBondContact O-CG2 3.45Å; D149-K170 VanDerWaalsContact OD2-CE 3.29Å; D149-K170 WeakPolarHBondContact OD2-CE 3.48Å; D149-K170 IonicContact OD2-NZ 3.52Å; D149-K170 PolarHBondContact OD2-NZ 3.3Å
150E96.4Very high95.5Very high3 Ų348.9 Ų48.91%0.01423%0.228CC..EExtended strand (participates in β ladder)trans-131.2138.8179.9-59-177.2-141.400110.6H145 Y146 R147 S166 T167 V168 R248H145-E150 CarbonylContact C-O 3.49Å; Y146-E150 HydrophobicContact CE1-CB 4.02Å; Y146-E150 HydrophobicContact CE2-CB 3.95Å; Y146-E150 PolarHBondContact N-O 3.13Å; Y146-E150 PolarHBondContact OH-OE2 3.14Å; R147-E150 HydrophobicContact CB-CB 3.99Å; R147-E150 HydrophobicContact CB-CG 4.34Å; R147-E150 WeakPolarHBondContact CD-OE1 3.16Å; R147-E150 HydrophobicContact CG-CB 4.45Å; R147-E150 PolarHBondContact N-O 2.9Å; R147-E150 IonicContact NE-OE1 2.7Å; R147-E150 PolarHBondContact O-N 3.4Å; E150-S166 WeakPolarHBondContact CB-O 3.37Å; E150-T167 WeakPolarHBondContact OE2-CA 3.35Å; E150-T167 WeakPolarHBondContact OE2-CB 3.36Å; E150-T167 PolarHBondContact OE2-OG1 3.33Å; E150-V168 HydrophobicContact CG-CB 4.21Å; E150-V168 HydrophobicContact CG-CG2 4.04Å; E150-R248 IonicContact OE1-CZ 3.83Å; E150-R248 IonicContact OE1-NE 3.05Å; E150-R248 PolarHBondContact OE1-NE 3.24Å; E150-R248 IonicContact OE1-NH2 3.98Å; E150-R248 PolarHBondContact OE1-NH2 3.35Å; E150-R248 IonicContact OE2-CZ 2.69Å; E150-R248 IonicContact OE2-NE 2.68Å; E150-R248 PolarHBondContact OE2-NE 3.37Å; E150-R248 IonicContact OE2-NH2 3.66Å
151S96.6Very high95.8Very high13 Ų1340.2 Ų40.29%0.09119%0.19CC..EExtended strand (participates in β ladder)trans-131.1143.9-175.2-48.30000111.4V144 H145 S166V144-S151 CarbonylContact O-C 3.55Å; V144-S151 WeakPolarHBondContact O-CA 3.39Å; H145-S151 PolarHBondContact CD2-OG 3.39Å; H145-S151 PolarHBondContact NE2-OG 3.4Å; S151-S166 PolarHBondContact N-O 2.99Å; S151-S166 WeakPolarHBondContact O-CB 3.35Å; S151-S166 PolarHBondContact O-N 3.05Å
152M97.3Very high95.9Very high2 Ų238.6 Ų38.61%0.0119%0.186CC..EExtended strand (participates in β ladder)trans-114.5130.9174.7179.9-179.457.400109.2F121 V124 F125 V143 V144 Y146 L154 V163 V164 F165F121-M152 HydrophobicContact CD1-CE 4.15Å; F121-M152 HydrophobicContact CE1-CE 4.19Å; V124-M152 HydrophobicContact CG1-CE 4.36Å; F125-M152 HydrophobicContact CE1-SD 4.16Å; F125-M152 HydrophobicContact CE2-CE 4.33Å; F125-M152 HydrophobicContact CZ-CE 3.89Å; F125-M152 HydrophobicContact CZ-SD 3.6Å; F125-M152 VanDerWaalsContact CZ-SD 3.6Å; V143-M152 WeakPolarHBondContact CA-O 3.35Å; V144-M152 HydrophobicContact CB-CB 4.47Å; V144-M152 HydrophobicContact CB-CE 4.05Å; V144-M152 HydrophobicContact CG1-CE 4.37Å; V144-M152 HydrophobicContact CG2-CE 4.22Å; V144-M152 PolarHBondContact N-O 3.41Å; V144-M152 PolarHBondContact O-N 2.68Å; Y146-M152 HydrophobicContact CD1-CB 3.67Å; Y146-M152 HydrophobicContact CE1-CB 3.84Å; M152-L154 HydrophobicContact CE-CD1 3.78Å; M152-L154 HydrophobicContact CG-CD1 3.81Å; M152-L154 HydrophobicContact SD-CD1 4.01Å; M152-V163 HydrophobicContact CG-CG1 4.08Å; M152-V163 HydrophobicContact SD-CG1 4.1Å; M152-V164 CarbonylContact C-O 3.53Å; M152-V164 WeakPolarHBondContact CA-O 3.18Å; M152-F165 HydrophobicContact CB-CD1 4.3Å; M152-F165 HydrophobicContact CB-CE1 4.35Å; M152-F165 HydrophobicContact CG-CD1 4.16Å; M152-F165 HydrophobicContact CG-CE1 3.91Å; M152-F165 HydrophobicContact CG-CZ 4.32Å; M152-F165 HydrophobicContact SD-CD1 4.36Å; M152-F165 HydrophobicContact SD-CE1 3.54Å; M152-F165 VanDerWaalsContact SD-CE1 3.54Å; M152-F165 HydrophobicContact SD-CZ 3.74Å
153Y97.3Very high96Very high4 Ų438.6 Ų38.62%0.01619%0.186CC..EExtended strand (participates in β ladder)trans-115.2131.6-179.3-51.8-97.6000109.5A142 V143 V163 V164 L209 Y222A142-Y153 VanDerWaalsContact O-CA 3.28Å; A142-Y153 WeakPolarHBondContact O-CA 3.13Å; V143-Y153 HydrophobicContact CB-CD1 4.48Å; V143-Y153 HydrophobicContact CG1-CD1 4.13Å; V143-Y153 HydrophobicContact CG1-CE1 3.8Å; V143-Y153 HydrophobicContact CG2-CD1 3.9Å; V143-Y153 HydrophobicContact CG2-CE1 4.11Å; Y153-V163 CarbonylContact O-C 3.57Å; Y153-V163 WeakPolarHBondContact O-CA 3.43Å; Y153-V164 HydrophobicContact CD2-CB 4.3Å; Y153-V164 PolarHBondContact N-O 2.75Å; Y153-V164 PolarHBondContact O-N 2.95Å; Y153-L209 HydrophobicContact CD1-CD1 4.24Å; Y153-L209 HydrophobicContact CD1-CD2 3.88Å; Y153-L209 HydrophobicContact CD2-CD1 3.51Å; Y153-L209 HydrophobicContact CD2-CD2 4.44Å; Y153-L209 HydrophobicContact CE1-CD1 4.46Å; Y153-L209 HydrophobicContact CE2-CD1 3.79Å; Y153-L209 HydrophobicContact CG-CD1 3.77Å; Y153-L209 HydrophobicContact CG-CD2 3.82Å; Y153-L209 HydrophobicContact CG-CG 4.48Å; Y153-Y222 HydrophobicContact CE2-CE1 4.48Å
154L96.9Very high96.1Very high0 Ų037.3 Ų37.30%018%0.177CC..EExtended strand (participates in β ladder)trans-123.1132.8174.7-62.884.5000110.3V124 F125 Y128 R141 A142 M152 T162 V163V124-L154 HydrophobicContact CG1-CD1 4.3Å; V124-L154 HydrophobicContact CG1-CD2 4.27Å; V124-L154 HydrophobicContact CG2-CD1 4.03Å; V124-L154 HydrophobicContact CG2-CD2 4.17Å; F125-L154 HydrophobicContact CD1-CD2 3.4Å; F125-L154 HydrophobicContact CE1-CD2 3.6Å; F125-L154 HydrophobicContact CE1-CG 4.42Å; F125-L154 HydrophobicContact CG-CD2 4.08Å; F125-L154 HydrophobicContact CZ-CD2 4.42Å; Y128-L154 HydrophobicContact CD1-CB 4.27Å; Y128-L154 HydrophobicContact CD2-CB 4.32Å; Y128-L154 WeakPolarHBondContact CE1-O 3.47Å; Y128-L154 HydrophobicContact CG-CB 4.15Å; R141-L154 CarbonylContact C-O 3.5Å; R141-L154 VanDerWaalsContact CA-O 3.29Å; R141-L154 WeakPolarHBondContact CA-O 3.45Å; R141-L154 WeakPolarHBondContact CB-O 3.35Å; A142-L154 HydrophobicContact CB-CB 4.16Å; A142-L154 HydrophobicContact CB-CD1 4.27Å; A142-L154 PolarHBondContact N-O 3.47Å; A142-L154 PolarHBondContact O-N 3.44Å; M152-L154 HydrophobicContact CE-CD1 3.78Å; M152-L154 HydrophobicContact CG-CD1 3.81Å; M152-L154 HydrophobicContact SD-CD1 4.01Å; L154-T162 WeakPolarHBondContact CA-O 3.41Å; L154-V163 HydrophobicContact CD2-CG2 4.29Å; L154-V163 HydrophobicContact CG-CG1 4.36Å; L154-V163 HydrophobicContact CG-CG2 4.25Å
155E95.7Very high96.2Very high46 Ų4637.5 Ų37.522%0.21518%0.179CC..EExtended strand (participates in β ladder)trans-140.1135.1178.4-171.6-172.2157.700109.7R141 K157 V161 T162R141-E155 HydrophobicContact CB-CB 4.31Å; E155-K157 WeakPolarHBondContact OE1-CE 3.24Å; E155-V161 WeakPolarHBondContact O-CA 3.47Å; E155-T162 PolarHBondContact N-O 3.25Å; E155-T162 PolarHBondContact O-N 3.18Å; E155-T162 PolarHBondContact O-OG1 3.5Å
156A96.4Very high96.2Very high9 Ų934.9 Ų34.97%0.07417%0.167CC..EExtended strand (participates in β ladder)trans-100129.4175.700000109Y128 F131 Q132 V161Y128-A156 HydrophobicContact CD1-CB 4.01Å; F131-A156 HydrophobicContact CB-CB 3.78Å; Q132-A156 HydrophobicContact CB-CB 4.37Å; A156-V161 HydrophobicContact CB-CG2 4.47Å
157K94.3Very high96.2Very high63 Ų6334.7 Ų34.727%0.27417%0.166SC..EExtended strand (participates in β ladder)trans-118170.7171.9-62.9-175.3179.6-178.30108.6Q132 E155 D159 R160Q132-K157 WeakPolarHBondContact CG-O 3.17Å; E155-K157 WeakPolarHBondContact OE1-CE 3.24Å; K157-D159 VanDerWaalsContact C-N 3.3Å; K157-D159 PolarHBondContact O-N 3.3Å; K157-R160 CarbonylContact C-O 3.59Å; K157-R160 WeakPolarHBondContact CA-O 3.44Å; K157-R160 HydrophobicContact CB-CG 3.99Å; K157-R160 PolarHBondContact N-O 2.89Å; K157-R160 PolarHBondContact O-N 3.04Å
158K92.1Very high96.2Very high145 Ų14531.8 Ų31.863%0.6316%0.157SC*.THydrogen-bonded Turntrans-48.1-48.3-177.7-166.9172.5-175.1165.70114.6Q132 E137Q132-K158 PolarHBondContact NE2-O 3.23Å; E137-K158 HydrophobicContact CG-CB 4.28Å; E137-K158 WeakPolarHBondContact OE1-CB 3.42Å; E137-K158 VanDerWaalsContact OE1-CD 3.29Å; E137-K158 WeakPolarHBondContact OE1-CD 2.78Å; E137-K158 WeakPolarHBondContact OE1-CG 3.32Å
159D94.9Very high96.3Very high75 Ų7525.7 Ų25.740%0.40112%0.124SC..THydrogen-bonded Turntrans-111.5-0.4-168.671-36.1000113.7K157 P229K157-D159 VanDerWaalsContact C-N 3.3Å; K157-D159 PolarHBondContact O-N 3.3Å; D159-P229 VanDerWaalsContact O-CD 3.3Å; D159-P229 WeakPolarHBondContact O-CD 3.37Å
160R96.4Very high96.3Very high67 Ų6730.4 Ų30.425%0.25314%0.142SC..EExtended strand (participates in β ladder)trans-162.7157.5-17166.2-167.765-155.91112.2K157 T162 V226 L227 F228K157-R160 CarbonylContact C-O 3.59Å; K157-R160 WeakPolarHBondContact CA-O 3.44Å; K157-R160 HydrophobicContact CB-CG 3.99Å; K157-R160 PolarHBondContact N-O 2.89Å; K157-R160 PolarHBondContact O-N 3.04Å; R160-T162 HydrophobicContact CG-CG2 4.48Å; R160-V226 HydrophobicContact CB-CG1 3.91Å; R160-V226 HydrophobicContact CG-CG1 4.19Å; R160-L227 CarbonylContact C-O 3.48Å; R160-L227 VanDerWaalsContact CA-O 3.27Å; R160-L227 WeakPolarHBondContact CA-O 3.22Å; R160-F228 HydrophobicContact CB-CD1 4.23Å; R160-F228 HydrophobicContact CB-CE1 4.33Å
161V98Very high96.2Very high0 Ų033.2 Ų33.20%016%0.157CC..EExtended strand (participates in β ladder)trans-110.4131.5163.9179.20000108.1F129 Q132 E155 A156 L227 T232F129-V161 HydrophobicContact CD1-CB 4.25Å; F129-V161 HydrophobicContact CD1-CG1 4.07Å; F129-V161 HydrophobicContact CD1-CG2 4Å; F129-V161 HydrophobicContact CE1-CB 4.35Å; F129-V161 HydrophobicContact CE1-CG1 4.04Å; Q132-V161 HydrophobicContact CB-CG2 3.51Å; Q132-V161 HydrophobicContact CG-CG2 3.9Å; E155-V161 WeakPolarHBondContact O-CA 3.47Å; A156-V161 HydrophobicContact CB-CG2 4.47Å; V161-L227 HydrophobicContact CB-CB 4.42Å; V161-L227 PolarHBondContact N-O 3.48Å; V161-L227 WeakPolarHBondContact O-CB 3.49Å; V161-L227 PolarHBondContact O-N 2.88Å; V161-T232 HydrophobicContact CB-CG2 4.24Å; V161-T232 HydrophobicContact CG2-CG2 4.05Å
162T97.4Very high96Very high14 Ų1437.8 Ų37.89%0.08618%0.181CC..EExtended strand (participates in β ladder)trans-105.6127.9176.148.10000110.1L154 E155 R160 F225 V226L154-T162 WeakPolarHBondContact CA-O 3.41Å; E155-T162 PolarHBondContact N-O 3.25Å; E155-T162 PolarHBondContact O-N 3.18Å; E155-T162 PolarHBondContact O-OG1 3.5Å; R160-T162 HydrophobicContact CG-CG2 4.48Å; T162-F225 WeakPolarHBondContact CA-O 3.44Å; T162-V226 HydrophobicContact CG2-CG2 4.3Å
163V98.1Very high95.9Very high0 Ų042.8 Ų42.80%021%0.207CC..EExtended strand (participates in β ladder)trans-116.1117.7173.8-175.90000107.5F125 M152 Y153 L154 F165 T224 F225 L227 I244F125-V163 HydrophobicContact CD1-CG2 4.47Å; F125-V163 HydrophobicContact CE1-CG1 4.16Å; F125-V163 HydrophobicContact CE1-CG2 4.17Å; M152-V163 HydrophobicContact CG-CG1 4.08Å; M152-V163 HydrophobicContact SD-CG1 4.1Å; Y153-V163 CarbonylContact O-C 3.57Å; Y153-V163 WeakPolarHBondContact O-CA 3.43Å; L154-V163 HydrophobicContact CD2-CG2 4.29Å; L154-V163 HydrophobicContact CG-CG1 4.36Å; L154-V163 HydrophobicContact CG-CG2 4.25Å; V163-F165 HydrophobicContact CG1-CD2 4.28Å; V163-F165 HydrophobicContact CG1-CE2 3.65Å; V163-F165 HydrophobicContact CG1-CZ 3.98Å; V163-T224 CarbonylContact O-C 3.59Å; V163-T224 WeakPolarHBondContact O-CA 3.46Å; V163-F225 HydrophobicContact CB-CB 4.42Å; V163-F225 PolarHBondContact N-O 3.15Å; V163-F225 PolarHBondContact O-N 3Å; V163-L227 HydrophobicContact CG2-CD1 3.97Å; V163-I244 HydrophobicContact CB-CG1 4.45Å; V163-I244 HydrophobicContact CG1-CG1 4.2Å
164V98.1Very high95.9Very high10 Ų1043.1 Ų43.16%0.06121%0.21CC..EExtended strand (participates in β ladder)trans-110.9122179-169.50000109.2M152 Y153 P206 L209 Y222 I223 T224M152-V164 CarbonylContact C-O 3.53Å; M152-V164 WeakPolarHBondContact CA-O 3.18Å; Y153-V164 HydrophobicContact CD2-CB 4.3Å; Y153-V164 PolarHBondContact N-O 2.75Å; Y153-V164 PolarHBondContact O-N 2.95Å; V164-P206 HydrophobicContact CG1-CG 4.35Å; V164-L209 HydrophobicContact CB-CD1 4.09Å; V164-L209 HydrophobicContact CG1-CD1 3.76Å; V164-L209 HydrophobicContact CG2-CD1 4.41Å; V164-Y222 HydrophobicContact CG1-CD1 3.98Å; V164-I223 CarbonylContact C-O 3.43Å; V164-I223 WeakPolarHBondContact CA-O 3.28Å; V164-T224 HydrophobicContact CG2-CG2 4Å
165F98Very high95.8Very high5 Ų543.6 Ų43.62%0.02221%0.212CC..EExtended strand (participates in β ladder)trans-96.4121.2168.8-67-87.4000109.1Y146 M152 V163 Y222 I223 F225 I244 F247 R248Y146-F165 HydrophobicContact CE1-CD1 4.13Å; M152-F165 HydrophobicContact CB-CD1 4.3Å; M152-F165 HydrophobicContact CB-CE1 4.35Å; M152-F165 HydrophobicContact CG-CD1 4.16Å; M152-F165 HydrophobicContact CG-CE1 3.91Å; M152-F165 HydrophobicContact CG-CZ 4.32Å; M152-F165 HydrophobicContact SD-CD1 4.36Å; M152-F165 HydrophobicContact SD-CE1 3.54Å; M152-F165 VanDerWaalsContact SD-CE1 3.54Å; M152-F165 HydrophobicContact SD-CZ 3.74Å; V163-F165 HydrophobicContact CG1-CD2 4.28Å; V163-F165 HydrophobicContact CG1-CE2 3.65Å; V163-F165 HydrophobicContact CG1-CZ 3.98Å; F165-Y222 CarbonylContact O-C 3.44Å; F165-Y222 VanDerWaalsContact O-CA 3.3Å; F165-Y222 WeakPolarHBondContact O-CA 3.27Å; F165-I223 PolarHBondContact N-O 3.01Å; F165-I223 PolarHBondContact O-N 3.11Å; F165-F225 HydrophobicContact CD2-CD2 4.3Å; F165-F225 HydrophobicContact CE2-CD2 4.31Å; F165-I244 HydrophobicContact CE2-CD1 3.94Å; F165-I244 HydrophobicContact CE2-CG1 4.01Å; F165-I244 HydrophobicContact CZ-CG1 4.2Å; F165-I244 VanDerWaalsContact CZ-O 3.23Å; F165-I244 WeakPolarHBondContact CZ-O 3.37Å; F165-F247 AromaticContact CD2-CD1 3.87Å; F165-F247 HydrophobicContact CD2-CD1 3.87Å; F165-F247 HydrophobicContact CD2-CE1 4.45Å; F165-F247 HydrophobicContact CE2-CB 4.47Å; F165-F247 HydrophobicContact CE2-CD1 4.1Å; F165-F247 HydrophobicContact CG-CD1 4.32Å; F165-R248 HydrophobicContact CD1-CB 4.48Å
166S97.1Very high95.8Very high4 Ų446.2 Ų46.23%0.02823%0.227CC..EExtended strand (participates in β ladder)trans-90.8113.3159-172.60000107.5Y146 E150 S151 Y222Y146-S166 PolarHBondContact OH-O 3.5Å; Y146-S166 VanDerWaalsContact OH-O 3.13Å; E150-S166 WeakPolarHBondContact CB-O 3.37Å; S151-S166 PolarHBondContact N-O 2.99Å; S151-S166 WeakPolarHBondContact O-CB 3.35Å; S151-S166 PolarHBondContact O-N 3.05Å; S166-Y222 VanDerWaalsContact CB-CE1 3.5Å; S166-Y222 WeakPolarHBondContact OG-CE1 3.3Å; S166-Y222 PolarHBondContact OG-OH 3.2Å
167T96.1Very high95.8Very high2 Ų247.4 Ų47.41%0.01223%0.232CC..EExtended strand (participates in β ladder)trans-121.5148-179.7-166.30000110.7E150 F169 G221 I223 H252E150-T167 WeakPolarHBondContact OE2-CA 3.35Å; E150-T167 WeakPolarHBondContact OE2-CB 3.36Å; E150-T167 PolarHBondContact OE2-OG1 3.33Å; T167-F169 HydrophobicContact CG2-CE2 3.87Å; T167-F169 HydrophobicContact CG2-CZ 3.87Å; T167-G221 PolarHBondContact N-O 3.16Å; T167-G221 PolarHBondContact O-N 3.22Å; T167-I223 HydrophobicContact CG2-CD1 3.51Å; T167-H252 PolarHBondContact OG1-NE2 2.9Å
168V96.4Very high95.9Very high16 Ų1644.4 Ų44.410%0.09722%0.218CC..EExtended strand (participates in β ladder)trans-108.3128.3-178.7178.40000109.7D149 E150 K170 I220 H252D149-V168 HydrophobicContact CB-CG2 4.35Å; D149-V168 WeakPolarHBondContact O-CG2 3.45Å; E150-V168 HydrophobicContact CG-CB 4.21Å; E150-V168 HydrophobicContact CG-CG2 4.04Å; V168-K170 HydrophobicContact CG1-CD 4.22Å; V168-I220 HydrophobicContact CG2-CG1 4.34Å; V168-H252 PolarHBondContact O-CE1 3.35Å
169F95.6Very high96Very high2 Ų240.8 Ų40.81%0.00920%0.203CC..  trans-96.8105.1172.4-59.9-84.4000109.1T167 D171 D174 V175 N219 L251 I255T167-F169 HydrophobicContact CG2-CE2 3.87Å; T167-F169 HydrophobicContact CG2-CZ 3.87Å; F169-D171 PolarHBondContact O-N 3.26Å; F169-D174 HydrophobicContact CB-CB 4.4Å; F169-D174 HydrophobicContact CD1-CB 4.21Å; F169-V175 HydrophobicContact CB-CB 4.46Å; F169-V175 HydrophobicContact CB-CG2 3.51Å; F169-V175 HydrophobicContact CD2-CG2 4.27Å; F169-V175 HydrophobicContact CG-CG2 4.08Å; F169-N219 PolarHBondContact N-O 2.83Å; F169-N219 WeakPolarHBondContact O-CB 3.45Å; F169-N219 PolarHBondContact O-ND2 3.26Å; F169-N219 VanDerWaalsContact O-ND2 3.11Å; F169-L251 HydrophobicContact CE1-CD2 4.45Å; F169-L251 HydrophobicContact CZ-CD2 4.28Å; F169-I255 HydrophobicContact CD1-CD1 4.23Å; F169-I255 HydrophobicContact CE1-CD1 3.73Å
170K93.1Very high96.1Very high158 Ų15841.6 Ų41.669%0.68721%0.21SC*.SBendtrans-66.2-25.5-176.8-64.3-64.8180-176.50114.2D149 V168D149-K170 VanDerWaalsContact OD2-CE 3.29Å; D149-K170 WeakPolarHBondContact OD2-CE 3.48Å; D149-K170 IonicContact OD2-NZ 3.52Å; D149-K170 PolarHBondContact OD2-NZ 3.3Å; V168-K170 HydrophobicContact CG1-CD 4.22Å
171D94.1Very high96.2Very high62 Ų6240.9 Ų40.933%0.33221%0.209SC..SBendtrans-109.4132.1-179.7-175.7-10.9000108.5F169 D173 D174 V175 K259F169-D171 PolarHBondContact O-N 3.26Å; D171-D173 PolarHBondContact O-N 2.68Å; D171-D173 PolarHBondContact OD1-N 3.35Å; D171-D173 VanDerWaalsContact OD1-N 3.07Å; D171-D174 HydrophobicContact CB-CB 4.04Å; D171-D174 WeakPolarHBondContact O-CB 3.42Å; D171-D174 PolarHBondContact O-N 3.29Å; D171-V175 PolarHBondContact O-N 2.74Å; D171-K259 IonicContact OD2-NZ 2.64Å; D171-K259 PolarHBondContact OD2-NZ 2.77Å
172D93.7Very high96.1Very high110 Ų11040.9 Ų40.959%0.58821%0.209SC*.Hα-helixtrans-62.2-33.2179.8-69-15000111.2D174 V175 I176 N219D172-D174 VanDerWaalsContact C-N 3.3Å; D172-D174 PolarHBondContact O-N 3.09Å; D172-V175 WeakPolarHBondContact O-CB 3.38Å; D172-V175 PolarHBondContact O-N 2.7Å; D172-I176 PolarHBondContact O-N 2.69Å; D172-N219 PolarHBondContact OD1-ND2 2.96Å
173D95.3Very high96Very high107 Ų10744.3 Ų44.357%0.57222%0.224SC*.Hα-helixtrans-67.4-33.5175.1-75-16.3000111.4D171 V175 I176 I177D171-D173 PolarHBondContact O-N 2.68Å; D171-D173 PolarHBondContact OD1-N 3.35Å; D171-D173 VanDerWaalsContact OD1-N 3.07Å; D173-V175 VanDerWaalsContact C-N 3.27Å; D173-V175 PolarHBondContact O-N 2.68Å; D173-I176 PolarHBondContact O-N 3.05Å; D173-I176 VanDerWaalsContact O-N 3.15Å; D173-I177 WeakPolarHBondContact O-CG1 3.4Å; D173-I177 PolarHBondContact O-N 2.67Å
174D96.2Very high95.9Very high11 Ų1150.1 Ų50.16%0.05925%0.251CS..Hα-helixtrans-67.6-28.8176.9-75.4-7.3000111.6F169 D171 D172 I176 G178 I255 K259F169-D174 HydrophobicContact CB-CB 4.4Å; F169-D174 HydrophobicContact CD1-CB 4.21Å; D171-D174 HydrophobicContact CB-CB 4.04Å; D171-D174 WeakPolarHBondContact O-CB 3.42Å; D171-D174 PolarHBondContact O-N 3.29Å; D172-D174 VanDerWaalsContact C-N 3.3Å; D172-D174 PolarHBondContact O-N 3.09Å; D174-I176 VanDerWaalsContact C-N 3.35Å; D174-G178 WeakPolarHBondContact O-CA 3.35Å; D174-G178 PolarHBondContact O-N 2.91Å; D174-I255 HydrophobicContact CB-CG2 4.03Å; D174-I255 WeakPolarHBondContact OD1-CG2 3.48Å; D174-K259 VanDerWaalsContact CG-NZ 3.33Å; D174-K259 WeakPolarHBondContact OD1-CE 3.43Å; D174-K259 IonicContact OD1-NZ 3.03Å; D174-K259 PolarHBondContact OD1-NZ 3.08Å; D174-K259 IonicContact OD2-NZ 3.88Å; D174-K259 PolarHBondContact OD2-NZ 3.32Å
175V94.9Very high95.8Very high9 Ų952.5 Ų52.56%0.05526%0.261CS..Hα-helixtrans-61.6-45.9171.3179.30000110.1F169 D171 D172 D173 K179F169-V175 HydrophobicContact CB-CB 4.46Å; F169-V175 HydrophobicContact CB-CG2 3.51Å; F169-V175 HydrophobicContact CD2-CG2 4.27Å; F169-V175 HydrophobicContact CG-CG2 4.08Å; D171-V175 PolarHBondContact O-N 2.74Å; D172-V175 WeakPolarHBondContact O-CB 3.38Å; D172-V175 PolarHBondContact O-N 2.7Å; D173-V175 VanDerWaalsContact C-N 3.27Å; D173-V175 PolarHBondContact O-N 2.68Å; V175-K179 HydrophobicContact CG1-CD 4.32Å; V175-K179 VanDerWaalsContact O-CG 3.27Å; V175-K179 WeakPolarHBondContact O-CG 3.27Å; V175-K179 PolarHBondContact O-N 3.11Å
176I95.4Very high95.6Very high102 Ų10257.9 Ų57.952%0.52328%0.284SS..Hα-helixtrans-68.9-46.8-177.2-56-55.2000110.8D172 D173 D174 G178 K179 V180D172-I176 PolarHBondContact O-N 2.69Å; D173-I176 PolarHBondContact O-N 3.05Å; D173-I176 VanDerWaalsContact O-N 3.15Å; D174-I176 VanDerWaalsContact C-N 3.35Å; I176-G178 VanDerWaalsContact C-N 3.35Å; I176-K179 WeakPolarHBondContact O-CB 3.23Å; I176-K179 PolarHBondContact O-N 2.85Å; I176-V180 PolarHBondContact O-N 2.95Å
177I96.6Very high95.5Very high34 Ų3460.6 Ų60.617%0.17430%0.296CS..Hα-helixtrans-63-44.9176.3-62.3171000109.9D173 K179 V180 F181 I255 K259D173-I177 WeakPolarHBondContact O-CG1 3.4Å; D173-I177 PolarHBondContact O-N 2.67Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-K179 PolarHBondContact O-N 3.07Å; I177-V180 WeakPolarHBondContact O-CB 3.13Å; I177-V180 PolarHBondContact O-N 3.18Å; I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE2 3.79Å; I177-F181 WeakPolarHBondContact O-CD2 3.21Å; I177-F181 PolarHBondContact O-N 3.26Å; I177-I255 HydrophobicContact CB-CG2 4.32Å; I177-I255 HydrophobicContact CG2-CB 4.43Å; I177-I255 HydrophobicContact CG2-CG1 4.16Å; I177-I255 HydrophobicContact CG2-CG2 4.09Å; I177-K259 HydrophobicContact CD1-CD 3.96Å; I177-K259 HydrophobicContact CD1-CG 3.58Å
178G95.8Very high95.3Very high0 Ų061.9 Ų61.90%031%0.31CS..Hα-helixtrans-57.2-42177.600000112.7D174 I176 V180 F181 M182D174-G178 WeakPolarHBondContact O-CA 3.35Å; D174-G178 PolarHBondContact O-N 2.91Å; I176-G178 VanDerWaalsContact C-N 3.35Å; G178-V180 VanDerWaalsContact C-N 3.3Å; G178-V180 PolarHBondContact O-N 2.9Å; G178-F181 PolarHBondContact O-N 3.36Å; G178-M182 WeakPolarHBondContact O-CG 3.32Å; G178-M182 PolarHBondContact O-N 2.81Å
179K95.6Very high95.1Very high69 Ų6966 Ų6630%0.332%0.324SS..Hα-helixtrans-57.5-40174-78.7170.1-179.5171.50112.7V175 I176 I177 M182 Q183 F200 H202V175-K179 HydrophobicContact CG1-CD 4.32Å; V175-K179 VanDerWaalsContact O-CG 3.27Å; V175-K179 WeakPolarHBondContact O-CG 3.27Å; V175-K179 PolarHBondContact O-N 3.11Å; I176-K179 WeakPolarHBondContact O-CB 3.23Å; I176-K179 PolarHBondContact O-N 2.85Å; I177-K179 VanDerWaalsContact C-N 3.32Å; I177-K179 PolarHBondContact O-N 3.07Å; K179-M182 PolarHBondContact O-N 2.93Å; K179-Q183 PolarHBondContact O-N 2.84Å; K179-F200 HydrophobicContact CG-CE1 3.93Å; K179-F200 HydrophobicContact CG-CZ 4.24Å; K179-H202 WeakPolarHBondContact CE-CD2 3.39Å; K179-H202 VanDerWaalsContact CE-NE2 3.31Å; K179-H202 WeakPolarHBondContact CE-NE2 3.44Å; K179-H202 PolarHBondContact NZ-CD2 3.1Å; K179-H202 PolarHBondContact NZ-NE2 3.29Å
180V97.1Very high95Very high92 Ų9274.8 Ų74.856%0.55836%0.357SS*.Hα-helixtrans-63.4-47.3176.6178.50000110.5I176 I177 G178 M182 Q183 E184I176-V180 PolarHBondContact O-N 2.95Å; I177-V180 WeakPolarHBondContact O-CB 3.13Å; I177-V180 PolarHBondContact O-N 3.18Å; G178-V180 VanDerWaalsContact C-N 3.3Å; G178-V180 PolarHBondContact O-N 2.9Å; V180-M182 VanDerWaalsContact C-N 3.34Å; V180-M182 PolarHBondContact O-N 2.84Å; V180-Q183 PolarHBondContact O-N 2.84Å; V180-E184 PolarHBondContact O-N 3.41Å
181F97.2Very high95Very high51 Ų5172 Ų7222%0.22436%0.364CS..Hα-helixtrans-58.5-45.4174.2-82.6-91.1000111.7I177 G178 Q183 E184 F185 L251 H254 I255I177-F181 HydrophobicContact CG2-CD2 3.98Å; I177-F181 HydrophobicContact CG2-CE2 3.79Å; I177-F181 WeakPolarHBondContact O-CD2 3.21Å; I177-F181 PolarHBondContact O-N 3.26Å; G178-F181 PolarHBondContact O-N 3.36Å; F181-Q183 VanDerWaalsContact C-N 3.31Å; F181-Q183 PolarHBondContact O-N 3.37Å; F181-E184 PolarHBondContact O-N 3.46Å; F181-F185 WeakPolarHBondContact O-CD2 3.35Å; F181-F185 PolarHBondContact O-N 3.42Å; F181-L251 HydrophobicContact CB-CD1 3.92Å; F181-L251 HydrophobicContact CG-CD1 4.3Å; F181-H254 HydrophobicContact CE1-CB 3.8Å; F181-H254 HydrophobicContact CZ-CB 3.94Å; F181-I255 HydrophobicContact CD2-CG1 4.22Å; F181-I255 HydrophobicContact CE2-CG1 4.36Å
182M95.9Very high95Very high1 Ų171.5 Ų71.51%0.00537%0.365CS..Hα-helixtrans-66.1-32-178.3-68.5-55.295.200113.2G178 K179 V180 F185 K186 F200 I223 F247 L251G178-M182 WeakPolarHBondContact O-CG 3.32Å; G178-M182 PolarHBondContact O-N 2.81Å; K179-M182 PolarHBondContact O-N 2.93Å; V180-M182 VanDerWaalsContact C-N 3.34Å; V180-M182 PolarHBondContact O-N 2.84Å; M182-F185 HydrophobicContact CE-CD2 3.58Å; M182-F185 HydrophobicContact CE-CE2 4.12Å; M182-F185 HydrophobicContact CE-CG 4.28Å; M182-F185 PolarHBondContact O-N 3.31Å; M182-K186 WeakPolarHBondContact O-CB 3.11Å; M182-K186 PolarHBondContact O-N 2.99Å; M182-F200 HydrophobicContact CB-CB 3.96Å; M182-F200 HydrophobicContact CB-CD1 3.87Å; M182-F200 HydrophobicContact CB-CD2 3.91Å; M182-F200 HydrophobicContact CB-CE1 4.35Å; M182-F200 HydrophobicContact CB-CE2 4.37Å; M182-F200 HydrophobicContact CB-CG 3.63Å; M182-F200 HydrophobicContact CG-CB 4.44Å; M182-F200 HydrophobicContact CG-CD1 4.39Å; M182-F200 HydrophobicContact CG-CD2 3.6Å; M182-F200 HydrophobicContact CG-CE2 3.84Å; M182-F200 HydrophobicContact CG-CG 3.89Å; M182-F200 HydrophobicContact CG-CZ 4.34Å; M182-F200 HydrophobicContact SD-CD2 4.3Å; M182-I223 HydrophobicContact SD-CB 4.5Å; M182-I223 HydrophobicContact SD-CG1 3.54Å; M182-I223 VanDerWaalsContact SD-CG1 3.54Å; M182-I223 HydrophobicContact SD-CG2 4.08Å; M182-F247 HydrophobicContact CE-CZ 4.04Å; M182-F247 HydrophobicContact SD-CZ 4.21Å; M182-L251 HydrophobicContact CE-CD1 3.44Å; M182-L251 VanDerWaalsContact CE-CD1 3.44Å; M182-L251 HydrophobicContact CE-CD2 3.67Å; M182-L251 HydrophobicContact CE-CG 4.14Å; M182-L251 HydrophobicContact SD-CD2 4.19Å
183Q95.3Very high95Very high86 Ų8674 Ų7440%0.40237%0.373SS..Hα-helixtrans-62.6-44.8172.2-174.862.427.700111.1K179 V180 F181 K186 E187K179-Q183 PolarHBondContact O-N 2.84Å; V180-Q183 PolarHBondContact O-N 2.84Å; F181-Q183 VanDerWaalsContact C-N 3.31Å; F181-Q183 PolarHBondContact O-N 3.37Å; Q183-K186 WeakPolarHBondContact O-CB 3.34Å; Q183-K186 PolarHBondContact O-N 3.46Å; Q183-E187 PolarHBondContact NE2-OE1 3.09Å; Q183-E187 PolarHBondContact O-N 3.07Å; Q183-E187 VanDerWaalsContact O-N 3.14Å
184E96.5Very high95Very high122 Ų12272.8 Ų72.857%0.5737%0.369SS*.Hα-helixtrans-64.5-40.6176.1-64-56.5133.900112V180 F181 K186 E187 G188V180-E184 PolarHBondContact O-N 3.41Å; F181-E184 PolarHBondContact O-N 3.46Å; E184-K186 PolarHBondContact O-N 3.34Å; E184-E187 CarbonylContact O-C 3.59Å; E184-E187 PolarHBondContact O-N 3.03Å; E184-G188 PolarHBondContact O-N 2.88Å
185F96Very high95Very high59 Ų5973.7 Ų73.726%0.25938%0.378SS..Hα-helixtrans-62.4-40.6174.6-91-79.4000112.6F181 M182 E187 G188 V198 F247 Y250F181-F185 WeakPolarHBondContact O-CD2 3.35Å; F181-F185 PolarHBondContact O-N 3.42Å; M182-F185 HydrophobicContact CE-CD2 3.58Å; M182-F185 HydrophobicContact CE-CE2 4.12Å; M182-F185 HydrophobicContact CE-CG 4.28Å; M182-F185 PolarHBondContact O-N 3.31Å; F185-E187 PolarHBondContact O-N 3.23Å; F185-G188 PolarHBondContact O-N 3.1Å; F185-G188 VanDerWaalsContact O-N 3.1Å; F185-V198 HydrophobicContact CB-CB 4.41Å; F185-V198 HydrophobicContact CB-CG1 4.14Å; F185-V198 HydrophobicContact CD1-CG2 4.44Å; F185-F247 HydrophobicContact CE1-CE2 4.27Å; F185-F247 HydrophobicContact CE2-CE2 4.41Å; F185-F247 HydrophobicContact CZ-CE2 4.14Å; F185-Y250 HydrophobicContact CE2-CE1 4.19Å; F185-Y250 HydrophobicContact CZ-CD1 4.42Å; F185-Y250 AromaticContact CZ-CE1 3.75Å; F185-Y250 HydrophobicContact CZ-CE1 3.75Å
186K94.2Very high95.1Very high119 Ų11975 Ų7552%0.51739%0.387SS..Hα-helixtrans-61.3-35.5176-175.6179.3177.8179.80111.8M182 Q183 E184M182-K186 WeakPolarHBondContact O-CB 3.11Å; M182-K186 PolarHBondContact O-N 2.99Å; Q183-K186 WeakPolarHBondContact O-CB 3.34Å; Q183-K186 PolarHBondContact O-N 3.46Å; E184-K186 PolarHBondContact O-N 3.34Å
187E94.4Very high95.2Very high60 Ų6072.4 Ų72.428%0.2837%0.373SS..Hα-helixtrans-89.9-0.9176.8-63.8-174-165.700113.7Q183 E184 F185 R189 R190Q183-E187 PolarHBondContact NE2-OE1 3.09Å; Q183-E187 PolarHBondContact O-N 3.07Å; Q183-E187 VanDerWaalsContact O-N 3.14Å; E184-E187 CarbonylContact O-C 3.59Å; E184-E187 PolarHBondContact O-N 3.03Å; F185-E187 PolarHBondContact O-N 3.23Å; E187-R189 PolarHBondContact O-N 3.25Å; E187-R190 WeakPolarHBondContact O-CB 3.42Å; E187-R190 WeakPolarHBondContact O-CG 3.44Å; E187-R190 PolarHBondContact O-N 2.83Å; E187-R190 IonicContact OE2-CZ 3.55Å; E187-R190 IonicContact OE2-NE 2.96Å; E187-R190 IonicContact OE2-NH1 3.41Å; E187-R190 PolarHBondContact OE2-NH1 2.91Å; E187-R190 IonicContact OE2-NH2 3.82Å; E187-R190 PolarHBondContact OE2-NH2 2.95Å
188G91.6Very high95.2Very high30 Ų3071.4 Ų71.431%0.30937%0.368SS..G310 helixtrans-58.8-23.3-172.300000115.1E184 F185 R190 A191 S192E184-G188 PolarHBondContact O-N 2.88Å; F185-G188 PolarHBondContact O-N 3.1Å; F185-G188 VanDerWaalsContact O-N 3.1Å; G188-R190 PolarHBondContact O-N 2.78Å; G188-R190 VanDerWaalsContact O-N 3.14Å; G188-A191 PolarHBondContact O-N 2.64Å; G188-S192 PolarHBondContact O-N 3.3Å
189R92Very high95.3Very high102 Ų10274.9 Ų74.939%0.38539%0.386SS..G310 helixtrans-66.6-9.5173.4-70-167.8-62.6175.6-2.2114.2E187 S192 H193E187-R189 PolarHBondContact O-N 3.25Å; R189-S192 WeakPolarHBondContact CA-O 3.36Å; R189-S192 CarbonylContact O-C 3.57Å; R189-H193 PolarHBondContact O-N 3.4Å; R189-H193 PolarHBondContact O-ND1 2.84Å
190R93.8Very high95.3Very high186 Ų18674 Ų7470%0.70238%0.383SS*.G310 helixtrans-67.9-35.5166.9-70.3-176.7-179.7161.211.3112E187 G188E187-R190 WeakPolarHBondContact O-CB 3.42Å; E187-R190 WeakPolarHBondContact O-CG 3.44Å; E187-R190 PolarHBondContact O-N 2.83Å; E187-R190 IonicContact OE2-CZ 3.55Å; E187-R190 IonicContact OE2-NE 2.96Å; E187-R190 IonicContact OE2-NH1 3.41Å; E187-R190 PolarHBondContact OE2-NH1 2.91Å; E187-R190 IonicContact OE2-NH2 3.82Å; E187-R190 PolarHBondContact OE2-NH2 2.95Å; G188-R190 PolarHBondContact O-N 2.78Å; G188-R190 VanDerWaalsContact O-N 3.14Å
191A94.6Very high95.2Very high101 Ų10171.4 Ų71.484%0.83537%0.369SS*.THydrogen-bonded Turntrans-83.7-36.7178.400000112G188G188-A191 PolarHBondContact O-N 2.64Å
192S93.1Very high95.1Very high51 Ų5171.7 Ų71.736%0.35737%0.371SS..  trans-138.9104176.4-178.80000111.2G188 R189 T194 A195G188-S192 PolarHBondContact O-N 3.3Å; R189-S192 WeakPolarHBondContact CA-O 3.36Å; R189-S192 CarbonylContact O-C 3.57Å; S192-T194 PolarHBondContact O-N 3.07Å; S192-T194 VanDerWaalsContact O-N 3.16Å; S192-T194 PolarHBondContact OG-OG1 3.37Å; S192-A195 WeakPolarHBondContact O-CB 3.37Å; S192-A195 PolarHBondContact O-N 3.3Å; S192-A195 VanDerWaalsContact O-N 3.16Å
193H93.5Very high94.9Very high163 Ų16377.5 Ų77.576%0.75539%0.393SS*.THydrogen-bonded Turntrans-61.8-23-179.9-64.3-51.8000113.6R189R189-H193 PolarHBondContact O-N 3.4Å; R189-H193 PolarHBondContact O-ND1 2.84Å
194T95.3Very high94.8Very high80 Ų8079 Ų7949%0.49140%0.4SS..THydrogen-bonded Turntrans-91.3-5.5-178.658.80000113.5S192 R230 H231S192-T194 PolarHBondContact O-N 3.07Å; S192-T194 VanDerWaalsContact O-N 3.16Å; S192-T194 PolarHBondContact OG-OG1 3.37Å; T194-R230 WeakPolarHBondContact O-CD 3.32Å; T194-H231 PolarHBondContact O-NE2 3.19Å
195A95.9Very high94.7Very high30 Ų3074 Ų7425%0.24838%0.378CS..SBendtrans-70159.7-179.600000112.8S192S192-A195 WeakPolarHBondContact O-CB 3.37Å; S192-A195 PolarHBondContact O-N 3.3Å; S192-A195 VanDerWaalsContact O-N 3.16Å
196P97.4Very high94.6Very high37 Ų3772.1 Ų72.124%0.2437%0.371CS..PPolyproline II helixtrans-52146.9169.5-28.336.9000112.6F225 V226 L227 H231P196-F225 HydrophobicContact CB-CD1 4.28Å; P196-V226 WeakPolarHBondContact CA-O 3.32Å; P196-L227 HydrophobicContact CB-CD2 3.87Å; P196-L227 HydrophobicContact CG-CD2 3.65Å; P196-H231 WeakPolarHBondContact CD-NE2 3.15Å
197Q96.8Very high94.4Very high48 Ų4872.6 Ų72.622%0.22438%0.379CS..EExtended strand (participates in β ladder)trans-79.6134.4168.9173.517813.600109L199 V226Q197-L199 HydrophobicContact CG-CD1 4.42Å; Q197-V226 HydrophobicContact CB-CB 4.08Å; Q197-V226 HydrophobicContact CB-CG2 4.39Å; Q197-V226 PolarHBondContact N-O 3.41Å; Q197-V226 PolarHBondContact O-N 3.03Å
198V97.8Very high94Very high12 Ų1274.1 Ų74.17%0.07339%0.386CS..EExtended strand (participates in β ladder)trans-112.3132.8175-172.90000109.3F185 I223 T224 F225F185-V198 HydrophobicContact CB-CB 4.41Å; F185-V198 HydrophobicContact CB-CG1 4.14Å; F185-V198 HydrophobicContact CD1-CG2 4.44Å; V198-I223 HydrophobicContact CG1-CG2 3.81Å; V198-T224 CarbonylContact C-O 3.4Å; V198-T224 WeakPolarHBondContact CA-O 3.33Å; V198-F225 HydrophobicContact CG1-CZ 4.46Å; V198-F225 HydrophobicContact CG2-CD1 3.81Å; V198-F225 HydrophobicContact CG2-CE1 3.53Å; V198-F225 HydrophobicContact CG2-CZ 4.05Å
199L96.8Very high93.9Very high73 Ų7372.9 Ų72.938%0.38237%0.372SS..EExtended strand (participates in β ladder)trans-118153.2168.1-49.6103.8000109.3Q197 T224 V226Q197-L199 HydrophobicContact CG-CD1 4.42Å; L199-T224 HydrophobicContact CD1-CG2 3.88Å; L199-T224 PolarHBondContact N-O 3.14Å; L199-T224 PolarHBondContact O-N 3.48Å; L199-V226 HydrophobicContact CD1-CG2 3.7Å
200F96.3Very high93.5Very high50 Ų5074.4 Ų74.422%0.21938%0.382CS..EExtended strand (participates in β ladder)trans-133.7128.8176.5176-112.3000109.2K179 M182 H202 Y222 I223K179-F200 HydrophobicContact CG-CE1 3.93Å; K179-F200 HydrophobicContact CG-CZ 4.24Å; M182-F200 HydrophobicContact CB-CB 3.96Å; M182-F200 HydrophobicContact CB-CD1 3.87Å; M182-F200 HydrophobicContact CB-CD2 3.91Å; M182-F200 HydrophobicContact CB-CE1 4.35Å; M182-F200 HydrophobicContact CB-CE2 4.37Å; M182-F200 HydrophobicContact CB-CG 3.63Å; M182-F200 HydrophobicContact CG-CB 4.44Å; M182-F200 HydrophobicContact CG-CD1 4.39Å; M182-F200 HydrophobicContact CG-CD2 3.6Å; M182-F200 HydrophobicContact CG-CE2 3.84Å; M182-F200 HydrophobicContact CG-CG 3.89Å; M182-F200 HydrophobicContact CG-CZ 4.34Å; M182-F200 HydrophobicContact SD-CD2 4.3Å; F200-H202 HydrophobicContact CE1-CB 3.98Å; F200-H202 HydrophobicContact CZ-CB 4.11Å; F200-Y222 WeakPolarHBondContact CA-O 3.35Å; F200-Y222 WeakPolarHBondContact CD2-O 3.33Å; F200-I223 HydrophobicContact CD2-CG1 4.11Å
201S95.4Very high92.9Very high39 Ų3971.2 Ų71.227%0.27338%0.379SS..EExtended strand (participates in β ladder)trans-119.2136169.1-174.90000108.8E204 Y222S201-E204 WeakPolarHBondContact CB-O 3.13Å; S201-E204 PolarHBondContact OG-O 3.49Å; S201-Y222 PolarHBondContact N-O 3.23Å; S201-Y222 PolarHBondContact O-N 3.45Å
202H94.1Very high92.4Very high56 Ų5668.3 Ų68.326%0.25935%0.35SS..EExtended strand (participates in β ladder)trans-104.9137.4178.1179.348.6000109.2K179 F200 E204 D218 I220K179-H202 WeakPolarHBondContact CE-CD2 3.39Å; K179-H202 VanDerWaalsContact CE-NE2 3.31Å; K179-H202 WeakPolarHBondContact CE-NE2 3.44Å; K179-H202 PolarHBondContact NZ-CD2 3.1Å; K179-H202 PolarHBondContact NZ-NE2 3.29Å; F200-H202 HydrophobicContact CE1-CB 3.98Å; F200-H202 HydrophobicContact CZ-CB 4.11Å; H202-E204 PolarHBondContact O-N 3.28Å; H202-D218 PolarHBondContact CE1-O 3.35Å; H202-I220 PolarHBondContact ND1-O 3.47Å
203R92.8Very high91.8Very high124 Ų12471.4 Ų71.447%0.46836%0.363SS..SBendtrans71.9-50.3179-45.7170.168.9-166.45.3115.1V216 G217 D218 I220R203-V216 WeakPolarHBondContact O-CA 3.33Å; R203-V216 WeakPolarHBondContact O-CG1 3.36Å; R203-G217 VanDerWaalsContact CA-O 3.28Å; R203-G217 WeakPolarHBondContact CA-O 3.42Å; R203-G217 PolarHBondContact O-N 3.29Å; R203-D218 IonicContact CZ-OD1 3.26Å; R203-D218 IonicContact NE-OD1 3.19Å; R203-D218 PolarHBondContact NE-OD1 3.08Å; R203-D218 IonicContact NH2-OD1 3.19Å; R203-D218 PolarHBondContact NH2-OD1 3.39Å; R203-D218 IonicContact NH2-OD2 3.37Å; R203-I220 PolarHBondContact N-O 2.91Å
204E93.4Very high91.6Very high117 Ų11764.2 Ų64.255%0.54733%0.332SS..SBendtrans-105.4140.8-173.7-64.9-175-178.100111.9S201 H202 V216 Y222S201-E204 WeakPolarHBondContact CB-O 3.13Å; S201-E204 PolarHBondContact OG-O 3.49Å; H202-E204 PolarHBondContact O-N 3.28Å; E204-V216 HydrophobicContact CG-CG1 4.38Å; E204-Y222 WeakPolarHBondContact O-CD2 3.22Å
205P94.4Very high91.5Very high17 Ų1762.8 Ų62.811%0.1133%0.328CS..  trans-62.9152.9172.422.7-30.4000112L209 A214 V216 Y222P205-L209 HydrophobicContact CB-CB 3.94Å; P205-A214 HydrophobicContact CB-CB 3.82Å; P205-A214 HydrophobicContact CG-CB 3.95Å; P205-V216 HydrophobicContact CG-CG2 4.47Å; P205-Y222 HydrophobicContact CB-CD1 4.29Å; P205-Y222 HydrophobicContact CB-CD2 4.43Å; P205-Y222 HydrophobicContact CB-CE1 3.82Å; P205-Y222 HydrophobicContact CB-CE2 4Å
206P92.9Very high91.4Very high19 Ų1966 Ų6612%0.12334%0.344CS..  trans-53.7155.8166-23.333.9000111.8V164 E208 L209V164-P206 HydrophobicContact CG1-CG 4.35Å; P206-E208 WeakPolarHBondContact CB-OE2 3.29Å; P206-E208 PolarHBondContact O-N 3.36Å; P206-E208 VanDerWaalsContact O-N 3.08Å; P206-L209 PolarHBondContact O-N 3.32Å
207L89.6Confident91.2Very high130 Ų13065.1 Ų65.168%0.68134%0.343SS*.G310 helixtrans-54.7-33.2-178.8-71.8172.5000112.3L209 K210L207-L209 PolarHBondContact O-N 3.25Å; L207-K210 HydrophobicContact CD2-CD 3.86Å; L207-K210 PolarHBondContact O-N 3.23Å
208E86Confident91Very high91 Ų9167.3 Ų67.343%0.42536%0.356SS..G310 helixtrans-61.9-28.4177.8-60.190.416000112.9R141 P206 D211R141-E208 VanDerWaalsContact CZ-O 3.24Å; R141-E208 PolarHBondContact NH1-O 3.26Å; R141-E208 PolarHBondContact NH2-O 3.31Å; P206-E208 WeakPolarHBondContact CB-OE2 3.29Å; P206-E208 PolarHBondContact O-N 3.36Å; P206-E208 VanDerWaalsContact O-N 3.08Å; E208-D211 VanDerWaalsContact O-OD1 3.05Å
209L90.7Very high90.9Very high4 Ų469.1 Ų69.12%0.02137%0.365CS..G310 helixtrans-101.39.2-177.6-53.3-173.9000113.6Y153 V164 P205 P206 L207 D211 T212 A214 Y222Y153-L209 HydrophobicContact CD1-CD1 4.24Å; Y153-L209 HydrophobicContact CD1-CD2 3.88Å; Y153-L209 HydrophobicContact CD2-CD1 3.51Å; Y153-L209 HydrophobicContact CD2-CD2 4.44Å; Y153-L209 HydrophobicContact CE1-CD1 4.46Å; Y153-L209 HydrophobicContact CE2-CD1 3.79Å; Y153-L209 HydrophobicContact CG-CD1 3.77Å; Y153-L209 HydrophobicContact CG-CD2 3.82Å; Y153-L209 HydrophobicContact CG-CG 4.48Å; V164-L209 HydrophobicContact CB-CD1 4.09Å; V164-L209 HydrophobicContact CG1-CD1 3.76Å; V164-L209 HydrophobicContact CG2-CD1 4.41Å; P205-L209 HydrophobicContact CB-CB 3.94Å; P206-L209 PolarHBondContact O-N 3.32Å; L207-L209 PolarHBondContact O-N 3.25Å; L209-D211 PolarHBondContact O-N 2.98Å; L209-T212 PolarHBondContact O-N 3.39Å; L209-T212 PolarHBondContact O-OG1 3.15Å; L209-T212 VanDerWaalsContact O-OG1 3.05Å; L209-A214 HydrophobicContact CB-CB 4.16Å; L209-Y222 HydrophobicContact CD1-CD1 4.1Å; L209-Y222 HydrophobicContact CD1-CE1 4.02Å
210K83.3Confident90.9Very high135 Ų13566.4 Ų66.459%0.58735%0.351SS*.THydrogen-bonded Turntrans-67-20.4-178.6-80.5-170.4171.4-177.70114.3L207L207-K210 HydrophobicContact CD2-CD 3.86Å; L207-K210 PolarHBondContact O-N 3.23Å
211D81.7Confident90.9Very high119 Ų11964 Ų6464%0.63634%0.34SS*.THydrogen-bonded Turntrans-911.5179.362.6-37.4000113.4R141 E208 L209R141-D211 IonicContact CZ-OD1 3.62Å; R141-D211 IonicContact NH1-OD1 2.74Å; R141-D211 PolarHBondContact NH1-OD1 3.37Å; R141-D211 IonicContact NH2-OD1 3.3Å; R141-D211 PolarHBondContact NH2-OD1 3.41Å; R141-D211 IonicContact NH2-OD2 3.09Å; R141-D211 PolarHBondContact NH2-OD2 2.79Å; R141-D211 VanDerWaalsContact NH2-OD2 3.14Å; E208-D211 VanDerWaalsContact O-OD1 3.05Å; L209-D211 PolarHBondContact O-N 2.98Å
212T82.8Confident91Very high39 Ų3962.2 Ų62.224%0.23933%0.327CS..THydrogen-bonded Turntrans-105.9175.9178.874.40000111.6L209 A214L209-T212 PolarHBondContact O-N 3.39Å; L209-T212 PolarHBondContact O-OG1 3.15Å; L209-T212 VanDerWaalsContact O-OG1 3.05Å; T212-A214 PolarHBondContact O-N 2.97Å; T212-A214 WeakPolarHBondContact OG1-CB 3.21Å; T212-A214 PolarHBondContact OG1-N 3.45Å
213D80.8Confident91.1Very high116 Ų11659.6 Ų59.662%0.6232%0.315SS*.THydrogen-bonded Turntrans-74.228.4169.659-20000113.1A215D213-A215 PolarHBondContact O-N 3.2Å; D213-A215 VanDerWaalsContact O-N 3.14Å
214A90Very high91.4Very high13 Ų1354.4 Ų54.411%0.10730%0.297CS..  trans-62.9116.1-178.300000110.9P205 L209 T212 Y222P205-A214 HydrophobicContact CB-CB 3.82Å; P205-A214 HydrophobicContact CG-CB 3.95Å; L209-A214 HydrophobicContact CB-CB 4.16Å; T212-A214 PolarHBondContact O-N 2.97Å; T212-A214 WeakPolarHBondContact OG1-CB 3.21Å; T212-A214 PolarHBondContact OG1-N 3.45Å; A214-Y222 HydrophobicContact CB-CE1 4.34Å; A214-Y222 WeakPolarHBondContact CB-OH 3.27Å
215A91.9Very high91.6Very high49 Ų4949.7 Ų49.741%0.40528%0.275SS..  trans-63.6139.2-176.900000112.7D213 I220 Y222D213-A215 PolarHBondContact O-N 3.2Å; D213-A215 VanDerWaalsContact O-N 3.14Å; A215-I220 HydrophobicContact CB-CD1 3.59Å; A215-Y222 PolarHBondContact N-OH 2.87Å; A215-Y222 VanDerWaalsContact N-OH 3.16Å; A215-Y222 WeakPolarHBondContact O-CE2 3.31Å; A215-Y222 PolarHBondContact O-OH 2.86Å
216V93.6Very high91.8Very high97 Ų9749.1 Ų49.159%0.58827%0.271SS*.  trans-111.1136174.31790000108.4R203 E204 P205R203-V216 WeakPolarHBondContact O-CA 3.33Å; R203-V216 WeakPolarHBondContact O-CG1 3.36Å; E204-V216 HydrophobicContact CG-CG1 4.38Å; P205-V216 HydrophobicContact CG-CG2 4.47Å
217G93.7Very high92.1Very high20 Ų2048.3 Ų48.321%0.20627%0.266CS..  trans179.3156177.800000114.6R203 N219 I220R203-G217 VanDerWaalsContact CA-O 3.28Å; R203-G217 WeakPolarHBondContact CA-O 3.42Å; R203-G217 PolarHBondContact O-N 3.29Å; G217-N219 PolarHBondContact O-N 3.14Å; G217-I220 PolarHBondContact O-N 2.9Å
218D93.7Very high92.5Very high93 Ų9344.2 Ų44.250%0.49724%0.243SC..THydrogen-bonded Turntrans-63.5-24.9-176.3-66-18.5000113.2H202 R203H202-D218 PolarHBondContact CE1-O 3.35Å; R203-D218 IonicContact CZ-OD1 3.26Å; R203-D218 IonicContact NE-OD1 3.19Å; R203-D218 PolarHBondContact NE-OD1 3.08Å; R203-D218 IonicContact NH2-OD1 3.19Å; R203-D218 PolarHBondContact NH2-OD1 3.39Å; R203-D218 IonicContact NH2-OD2 3.37Å
219N94.9Very high93Very high50 Ų5042.8 Ų42.827%0.26724%0.242SC..THydrogen-bonded Turntrans-99.410.1179.3-66.680.8000113.1F169 D172 G217F169-N219 PolarHBondContact N-O 2.83Å; F169-N219 WeakPolarHBondContact O-CB 3.45Å; F169-N219 PolarHBondContact O-ND2 3.26Å; F169-N219 VanDerWaalsContact O-ND2 3.11Å; D172-N219 PolarHBondContact OD1-ND2 2.96Å; G217-N219 PolarHBondContact O-N 3.14Å
220I95.9Very high93.3Very high17 Ų1749.7 Ų49.79%0.08727%0.267CS..EExtended strand (participates in β ladder)trans-103.8135.5-177.8-53.2-173000110.2V168 H202 R203 A215 G217 Y222V168-I220 HydrophobicContact CG2-CG1 4.34Å; H202-I220 PolarHBondContact ND1-O 3.47Å; R203-I220 PolarHBondContact N-O 2.91Å; A215-I220 HydrophobicContact CB-CD1 3.59Å; G217-I220 PolarHBondContact O-N 2.9Å; I220-Y222 HydrophobicContact CG2-CD2 4.17Å; I220-Y222 HydrophobicContact CG2-CE2 3.65Å
221G96.3Very high94Very high0 Ų044.2 Ų44.20%024%0.244CC..EExtended strand (participates in β ladder)trans-124.8134.8171.700000111.2T167T167-G221 PolarHBondContact N-O 3.16Å; T167-G221 PolarHBondContact O-N 3.22Å
222Y97.6Very high94.8Very high0 Ų038.7 Ų38.70%021%0.214CC..EExtended strand (participates in β ladder)trans-104.4118.5172.9-73.2-92.6000109.5Y153 V164 F165 S166 F200 S201 E204 P205 L209 A214 A215 I220Y153-Y222 HydrophobicContact CE2-CE1 4.48Å; V164-Y222 HydrophobicContact CG1-CD1 3.98Å; F165-Y222 CarbonylContact O-C 3.44Å; F165-Y222 VanDerWaalsContact O-CA 3.3Å; F165-Y222 WeakPolarHBondContact O-CA 3.27Å; S166-Y222 VanDerWaalsContact CB-CE1 3.5Å; S166-Y222 WeakPolarHBondContact OG-CE1 3.3Å; S166-Y222 PolarHBondContact OG-OH 3.2Å; F200-Y222 WeakPolarHBondContact CA-O 3.35Å; F200-Y222 WeakPolarHBondContact CD2-O 3.33Å; S201-Y222 PolarHBondContact N-O 3.23Å; S201-Y222 PolarHBondContact O-N 3.45Å; E204-Y222 WeakPolarHBondContact O-CD2 3.22Å; P205-Y222 HydrophobicContact CB-CD1 4.29Å; P205-Y222 HydrophobicContact CB-CD2 4.43Å; P205-Y222 HydrophobicContact CB-CE1 3.82Å; P205-Y222 HydrophobicContact CB-CE2 4Å; L209-Y222 HydrophobicContact CD1-CD1 4.1Å; L209-Y222 HydrophobicContact CD1-CE1 4.02Å; A214-Y222 HydrophobicContact CB-CE1 4.34Å; A214-Y222 WeakPolarHBondContact CB-OH 3.27Å; A215-Y222 PolarHBondContact N-OH 2.87Å; A215-Y222 VanDerWaalsContact N-OH 3.16Å; A215-Y222 WeakPolarHBondContact O-CE2 3.31Å; A215-Y222 PolarHBondContact O-OH 2.86Å; I220-Y222 HydrophobicContact CG2-CD2 4.17Å; I220-Y222 HydrophobicContact CG2-CE2 3.65Å
223I97.9Very high95.4Very high1 Ų139.3 Ų39.31%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-111.3117.1177.2-52.582.4000108.5V164 F165 T167 M182 V198 F200 F225 F247V164-I223 CarbonylContact C-O 3.43Å; V164-I223 WeakPolarHBondContact CA-O 3.28Å; F165-I223 PolarHBondContact N-O 3.01Å; F165-I223 PolarHBondContact O-N 3.11Å; T167-I223 HydrophobicContact CG2-CD1 3.51Å; M182-I223 HydrophobicContact SD-CB 4.5Å; M182-I223 HydrophobicContact SD-CG1 3.54Å; M182-I223 VanDerWaalsContact SD-CG1 3.54Å; M182-I223 HydrophobicContact SD-CG2 4.08Å; V198-I223 HydrophobicContact CG1-CG2 3.81Å; F200-I223 HydrophobicContact CD2-CG1 4.11Å; I223-F225 HydrophobicContact CG2-CD2 4.11Å; I223-F225 HydrophobicContact CG2-CE2 3.67Å; I223-F247 HydrophobicContact CB-CE1 3.93Å; I223-F247 HydrophobicContact CB-CZ 4.37Å; I223-F247 HydrophobicContact CD1-CE1 4.43Å; I223-F247 HydrophobicContact CG1-CE1 3.98Å; I223-F247 HydrophobicContact CG1-CZ 4.24Å; I223-F247 HydrophobicContact CG2-CE1 3.73Å; I223-F247 HydrophobicContact CG2-CZ 3.78Å
224T98.1Very high96.1Very high15 Ų1536.5 Ų36.59%0.09221%0.209CC..EExtended strand (participates in β ladder)trans-105.7118.2179.6-56.50000110.3V163 V164 V198 L199 V226V163-T224 CarbonylContact O-C 3.59Å; V163-T224 WeakPolarHBondContact O-CA 3.46Å; V164-T224 HydrophobicContact CG2-CG2 4Å; V198-T224 CarbonylContact C-O 3.4Å; V198-T224 WeakPolarHBondContact CA-O 3.33Å; L199-T224 HydrophobicContact CD1-CG2 3.88Å; L199-T224 PolarHBondContact N-O 3.14Å; L199-T224 PolarHBondContact O-N 3.48Å; T224-V226 HydrophobicContact CG2-CG2 4.33Å
225F98.3Very high96.4Very high18 Ų1843.6 Ų43.68%0.07925%0.245CC..EExtended strand (participates in β ladder)trans-94.6129.1166.8-77.3-96.3000110.3T162 V163 F165 P196 V198 I223 I244 F247T162-F225 WeakPolarHBondContact CA-O 3.44Å; V163-F225 HydrophobicContact CB-CB 4.42Å; V163-F225 PolarHBondContact N-O 3.15Å; V163-F225 PolarHBondContact O-N 3Å; F165-F225 HydrophobicContact CD2-CD2 4.3Å; F165-F225 HydrophobicContact CE2-CD2 4.31Å; P196-F225 HydrophobicContact CB-CD1 4.28Å; V198-F225 HydrophobicContact CG1-CZ 4.46Å; V198-F225 HydrophobicContact CG2-CD1 3.81Å; V198-F225 HydrophobicContact CG2-CE1 3.53Å; V198-F225 HydrophobicContact CG2-CZ 4.05Å; I223-F225 HydrophobicContact CG2-CD2 4.11Å; I223-F225 HydrophobicContact CG2-CE2 3.67Å; F225-I244 HydrophobicContact CB-CD1 3.82Å; F225-I244 HydrophobicContact CD1-CD1 3.77Å; F225-I244 HydrophobicContact CD2-CD1 3.62Å; F225-I244 HydrophobicContact CE1-CD1 4.23Å; F225-I244 HydrophobicContact CE2-CD1 4.1Å; F225-I244 HydrophobicContact CG-CD1 3.44Å; F225-I244 VanDerWaalsContact CG-CD1 3.44Å; F225-I244 HydrophobicContact CZ-CD1 4.38Å; F225-F247 AromaticContact CE2-CD1 3.61Å; F225-F247 HydrophobicContact CE2-CD1 3.61Å; F225-F247 AromaticContact CE2-CD2 3.8Å; F225-F247 HydrophobicContact CE2-CD2 3.8Å; F225-F247 AromaticContact CE2-CE1 3.64Å; F225-F247 HydrophobicContact CE2-CE1 3.64Å; F225-F247 AromaticContact CE2-CE2 3.82Å; F225-F247 HydrophobicContact CE2-CE2 3.82Å; F225-F247 AromaticContact CE2-CG 3.69Å; F225-F247 HydrophobicContact CE2-CG 3.69Å; F225-F247 AromaticContact CE2-CZ 3.73Å; F225-F247 HydrophobicContact CE2-CZ 3.73Å; F225-F247 HydrophobicContact CZ-CD1 4.21Å; F225-F247 AromaticContact CZ-CD2 3.51Å; F225-F247 HydrophobicContact CZ-CD2 3.51Å; F225-F247 HydrophobicContact CZ-CE1 4.25Å; F225-F247 AromaticContact CZ-CE2 3.54Å; F225-F247 HydrophobicContact CZ-CE2 3.54Å; F225-F247 AromaticContact CZ-CG 3.86Å; F225-F247 HydrophobicContact CZ-CG 3.86Å; F225-F247 AromaticContact CZ-CZ 3.92Å; F225-F247 HydrophobicContact CZ-CZ 3.92Å
226V98Very high96.7Very high5 Ų542.4 Ų42.43%0.0324%0.235CC..EExtended strand (participates in β ladder)trans-107.1107.6173.6-174.50000109R160 T162 P196 Q197 L199 T224 F228R160-V226 HydrophobicContact CB-CG1 3.91Å; R160-V226 HydrophobicContact CG-CG1 4.19Å; T162-V226 HydrophobicContact CG2-CG2 4.3Å; P196-V226 WeakPolarHBondContact CA-O 3.32Å; Q197-V226 HydrophobicContact CB-CB 4.08Å; Q197-V226 HydrophobicContact CB-CG2 4.39Å; Q197-V226 PolarHBondContact N-O 3.41Å; Q197-V226 PolarHBondContact O-N 3.03Å; L199-V226 HydrophobicContact CD1-CG2 3.7Å; T224-V226 HydrophobicContact CG2-CG2 4.33Å; V226-F228 HydrophobicContact CG1-CE1 4.17Å; V226-F228 HydrophobicContact CG1-CE2 4.27Å; V226-F228 HydrophobicContact CG1-CZ 3.85Å
227L98.3Very high96.8Very high2 Ų240 Ų401%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-99.1114.4-177.8-55.1177.1000110.1F129 R160 V161 V163 P196 H231 T232 T240F129-L227 HydrophobicContact CE1-CD1 3.81Å; F129-L227 HydrophobicContact CZ-CD1 3.85Å; R160-L227 CarbonylContact C-O 3.48Å; R160-L227 VanDerWaalsContact CA-O 3.27Å; R160-L227 WeakPolarHBondContact CA-O 3.22Å; V161-L227 HydrophobicContact CB-CB 4.42Å; V161-L227 PolarHBondContact N-O 3.48Å; V161-L227 WeakPolarHBondContact O-CB 3.49Å; V161-L227 PolarHBondContact O-N 2.88Å; V163-L227 HydrophobicContact CG2-CD1 3.97Å; P196-L227 HydrophobicContact CB-CD2 3.87Å; P196-L227 HydrophobicContact CG-CD2 3.65Å; L227-H231 HydrophobicContact CB-CB 4.32Å; L227-H231 HydrophobicContact CD2-CB 4.35Å; L227-T232 HydrophobicContact CB-CG2 3.88Å; L227-T240 HydrophobicContact CD1-CG2 3.9Å; L227-T240 HydrophobicContact CD2-CG2 4.17Å
228F98.1Very high96.9Very high45 Ų4542.7 Ų42.720%0.19723%0.225CC..  trans-82168.2172.4-61.1-70.5000113.2R160 V226 R230 H231 T232R160-F228 HydrophobicContact CB-CD1 4.23Å; R160-F228 HydrophobicContact CB-CE1 4.33Å; V226-F228 HydrophobicContact CG1-CE1 4.17Å; V226-F228 HydrophobicContact CG1-CE2 4.27Å; V226-F228 HydrophobicContact CG1-CZ 3.85Å; F228-R230 HydrophobicContact CB-CG 4.23Å; F228-R230 PolarHBondContact O-N 2.69Å; F228-H231 AromaticContact CD2-CE1 3.93Å; F228-H231 PolarHBondContact N-ND1 2.96Å; F228-H231 WeakPolarHBondContact O-CA 3.39Å; F228-H231 WeakPolarHBondContact O-CB 3.4Å; F228-H231 PolarHBondContact O-N 2.87Å; F228-H231 PolarHBondContact O-ND1 3.48Å; F228-T232 PolarHBondContact O-N 3.44Å
229P97.7Very high97.1Very high61 Ų6143 Ų4340%0.39623%0.227SC..Hα-helixtrans-49.7-31.4178.5-32.635.7000115.3D159 H231 T232 N233D159-P229 VanDerWaalsContact O-CD 3.3Å; D159-P229 WeakPolarHBondContact O-CD 3.37Å; P229-H231 PolarHBondContact O-N 3.19Å; P229-T232 WeakPolarHBondContact CA-OG1 3.37Å; P229-T232 PolarHBondContact O-N 3.46Å; P229-N233 WeakPolarHBondContact O-CB 3.48Å; P229-N233 PolarHBondContact O-N 3.48Å; P229-N233 PolarHBondContact O-ND2 3Å
230R96.9Very high97.3Very high149 Ų14941.5 Ų41.556%0.56222%0.22SC*.Hα-helixtrans-62.5-21.2175.169.5-179.566-145.30.8113.9T194 F228 N233T194-R230 WeakPolarHBondContact O-CD 3.32Å; F228-R230 HydrophobicContact CB-CG 4.23Å; F228-R230 PolarHBondContact O-N 2.69Å; R230-N233 WeakPolarHBondContact CA-ND2 3.43Å; R230-N233 PolarHBondContact O-ND2 3.36Å
231H98Very high97.4Very high19 Ų1940.7 Ų40.79%0.08822%0.216CC..Hα-helixtrans-101.3-28.6178.3-43.8124.2000112.7T194 P196 L227 F228 P229 T240T194-H231 PolarHBondContact O-NE2 3.19Å; P196-H231 WeakPolarHBondContact CD-NE2 3.15Å; L227-H231 HydrophobicContact CB-CB 4.32Å; L227-H231 HydrophobicContact CD2-CB 4.35Å; F228-H231 AromaticContact CD2-CE1 3.93Å; F228-H231 PolarHBondContact N-ND1 2.96Å; F228-H231 WeakPolarHBondContact O-CA 3.39Å; F228-H231 WeakPolarHBondContact O-CB 3.4Å; F228-H231 PolarHBondContact O-N 2.87Å; F228-H231 PolarHBondContact O-ND1 3.48Å; P229-H231 PolarHBondContact O-N 3.19Å; H231-T240 HydrophobicContact CB-CG2 4.31Å; H231-T240 WeakPolarHBondContact O-CB 3.43Å; H231-T240 PolarHBondContact O-OG1 2.88Å
232T97.6Very high97.5Very high4 Ų442 Ų423%0.02522%0.223CC..Hα-helixtrans-97.2-13.6-172.657.80000113.7F129 Q132 V161 L227 F228 P229F129-T232 HydrophobicContact CD1-CG2 3.56Å; F129-T232 HydrophobicContact CD2-CG2 4.25Å; F129-T232 HydrophobicContact CE1-CG2 3.7Å; F129-T232 HydrophobicContact CE2-CG2 4.37Å; F129-T232 HydrophobicContact CG-CG2 3.86Å; F129-T232 HydrophobicContact CZ-CG2 4.11Å; Q132-T232 PolarHBondContact OE1-OG1 3.34Å; Q132-T232 VanDerWaalsContact OE1-OG1 3.05Å; V161-T232 HydrophobicContact CB-CG2 4.24Å; V161-T232 HydrophobicContact CG2-CG2 4.05Å; L227-T232 HydrophobicContact CB-CG2 3.88Å; F228-T232 PolarHBondContact O-N 3.44Å; P229-T232 WeakPolarHBondContact CA-OG1 3.37Å; P229-T232 PolarHBondContact O-N 3.46Å
233N96.3Very high97.5Very high52 Ų5245.7 Ų45.728%0.27824%0.242SC..SBendtrans-59.3160.9177.866.772.7000113P229 R230 N235 A236 R237P229-N233 WeakPolarHBondContact O-CB 3.48Å; P229-N233 PolarHBondContact O-N 3.48Å; P229-N233 PolarHBondContact O-ND2 3Å; R230-N233 WeakPolarHBondContact CA-ND2 3.43Å; R230-N233 PolarHBondContact O-ND2 3.36Å; N233-N235 PolarHBondContact O-N 2.95Å; N233-N235 VanDerWaalsContact O-N 3.14Å; N233-N235 WeakPolarHBondContact OD1-CB 3.43Å; N233-N235 PolarHBondContact OD1-N 3.36Å; N233-A236 PolarHBondContact O-N 3.15Å; N233-A236 VanDerWaalsContact O-N 3.11Å; N233-A236 PolarHBondContact OD1-N 2.87Å; N233-R237 WeakPolarHBondContact O-CB 3.49Å; N233-R237 PolarHBondContact O-N 3.3Å
234A95.4Very high97.5Very high56 Ų5646 Ų4646%0.46324%0.244SC..THydrogen-bonded Turntrans-53.5-34-177.800000114.8
235N96.8Very high97.5Very high163 Ų16346.2 Ų46.287%0.87224%0.243SC*.THydrogen-bonded Turntrans-78.8-28-177.3-59.7-24.8000112.6N233N233-N235 PolarHBondContact O-N 2.95Å; N233-N235 VanDerWaalsContact O-N 3.14Å; N233-N235 WeakPolarHBondContact OD1-CB 3.43Å; N233-N235 PolarHBondContact OD1-N 3.36Å
236A96.6Very high97.4Very high24 Ų2446.3 Ų46.320%0.19825%0.245CC..THydrogen-bonded Turntrans-103.6-19.1-175.900000113.6N233 D238 N239 T240N233-A236 PolarHBondContact O-N 3.15Å; N233-A236 VanDerWaalsContact O-N 3.11Å; N233-A236 PolarHBondContact OD1-N 2.87Å; A236-D238 VanDerWaalsContact C-N 3.32Å; A236-D238 PolarHBondContact O-N 3.05Å; A236-N239 PolarHBondContact O-N 3.05Å; A236-T240 PolarHBondContact O-N 2.79Å; A236-T240 PolarHBondContact O-OG1 2.85Å
237R96.1Very high97.5Very high45 Ų4546.6 Ų46.617%0.1725%0.246CC..Hα-helixtrans-56-42.1-168.565.4176.857.9167.55.4113.4F129 E133 N233 N239 T240 I241F129-R237 HydrophobicContact CD2-CB 3.9Å; F129-R237 HydrophobicContact CE2-CB 4.13Å; E133-R237 IonicContact OE2-NH2 3.84Å; E133-R237 PolarHBondContact OE2-NH2 2.82Å; N233-R237 WeakPolarHBondContact O-CB 3.49Å; N233-R237 PolarHBondContact O-N 3.3Å; R237-N239 PolarHBondContact O-N 2.98Å; R237-T240 PolarHBondContact O-N 3.06Å; R237-I241 WeakPolarHBondContact O-CB 3.42Å; R237-I241 VanDerWaalsContact O-CG1 3.22Å; R237-I241 WeakPolarHBondContact O-CG1 3.34Å; R237-I241 PolarHBondContact O-N 3.19Å
238D97Very high97.4Very high78 Ų7847.8 Ų47.842%0.41725%0.251SS..Hα-helixtrans-65-44.3-176.3-78.9-46000111.8R118 A236 I241 N242R118-D238 IonicContact CZ-OD1 3.6Å; R118-D238 IonicContact NH1-OD1 2.57Å; R118-D238 PolarHBondContact NH2-O 3.29Å; R118-D238 IonicContact NH2-OD1 2.72Å; R118-D238 PolarHBondContact NH2-OD1 3.08Å; A236-D238 VanDerWaalsContact C-N 3.32Å; A236-D238 PolarHBondContact O-N 3.05Å; D238-I241 PolarHBondContact O-N 2.87Å; D238-N242 WeakPolarHBondContact O-CB 3.35Å; D238-N242 PolarHBondContact O-N 3.47Å; D238-N242 PolarHBondContact O-ND2 2.8Å; D238-N242 PolarHBondContact O-OD1 2.8Å
239N97.9Very high97.4Very high100 Ų10046 Ų4654%0.53524%0.243SC..Hα-helixtrans-66.8-39.5175.9-17762.4000111.7A236 R237 N242 L243A236-N239 PolarHBondContact O-N 3.05Å; R237-N239 PolarHBondContact O-N 2.98Å; N239-N242 WeakPolarHBondContact O-CB 3.35Å; N239-N242 PolarHBondContact O-N 2.69Å; N239-L243 WeakPolarHBondContact O-CG 3.44Å; N239-L243 PolarHBondContact O-N 3.32Å; N239-L243 VanDerWaalsContact O-N 3.08Å
240T98.4Very high97.4Very high18 Ų1845.2 Ų45.211%0.1123%0.233CC..Hα-helixtrans-61-45.9174.6-62.60000111.1F129 L227 H231 A236 R237 N242 L243 I244F129-T240 HydrophobicContact CE2-CG2 4.27Å; F129-T240 HydrophobicContact CZ-CG2 3.97Å; L227-T240 HydrophobicContact CD1-CG2 3.9Å; L227-T240 HydrophobicContact CD2-CG2 4.17Å; H231-T240 HydrophobicContact CB-CG2 4.31Å; H231-T240 WeakPolarHBondContact O-CB 3.43Å; H231-T240 PolarHBondContact O-OG1 2.88Å; A236-T240 PolarHBondContact O-N 2.79Å; A236-T240 PolarHBondContact O-OG1 2.85Å; R237-T240 PolarHBondContact O-N 3.06Å; T240-N242 VanDerWaalsContact C-N 3.35Å; T240-N242 PolarHBondContact O-N 3.05Å; T240-L243 PolarHBondContact O-N 3.21Å; T240-I244 WeakPolarHBondContact O-CB 3.29Å; T240-I244 VanDerWaalsContact O-CG2 3.27Å; T240-I244 WeakPolarHBondContact O-CG2 3.43Å; T240-I244 PolarHBondContact O-N 2.79Å
241I98.4Very high97.5Very high0 Ų038.1 Ų38.10%021%0.206CC..Hα-helixtrans-60.8-46176.8-69.7168.7000110A122 F125 E126 F129 R237 D238 L243 I244 H245A122-I241 HydrophobicContact CB-CD1 4.39Å; A122-I241 HydrophobicContact CB-CG2 4.08Å; F125-I241 HydrophobicContact CB-CD1 3.8Å; F125-I241 HydrophobicContact CB-CG1 3.62Å; F125-I241 HydrophobicContact CD2-CG1 4.38Å; F125-I241 HydrophobicContact CD2-CG2 4.19Å; F125-I241 HydrophobicContact CG-CG1 4.08Å; E126-I241 HydrophobicContact CG-CD1 4.1Å; F129-I241 HydrophobicContact CE2-CD1 4.3Å; F129-I241 HydrophobicContact CE2-CG1 3.97Å; F129-I241 HydrophobicContact CZ-CG1 4.46Å; R237-I241 WeakPolarHBondContact O-CB 3.42Å; R237-I241 VanDerWaalsContact O-CG1 3.22Å; R237-I241 WeakPolarHBondContact O-CG1 3.34Å; R237-I241 PolarHBondContact O-N 3.19Å; D238-I241 PolarHBondContact O-N 2.87Å; I241-L243 VanDerWaalsContact C-N 3.3Å; I241-L243 PolarHBondContact O-N 3.19Å; I241-I244 PolarHBondContact O-N 3.35Å; I241-H245 PolarHBondContact O-N 3.3Å; I241-H245 PolarHBondContact O-ND1 3.02Å
242N98Very high97.5Very high27 Ų2737.9 Ų37.914%0.14421%0.205CC..Hα-helixtrans-54.9-43.2178.4-75-2.5000113I6 R118 D238 N239 T240 H245 T246I6-N242 HydrophobicContact CD1-CB 3.55Å; I6-N242 HydrophobicContact CG1-CB 4.23Å; R118-N242 PolarHBondContact NE-OD1 2.57Å; R118-N242 PolarHBondContact NH2-OD1 3.35Å; D238-N242 WeakPolarHBondContact O-CB 3.35Å; D238-N242 PolarHBondContact O-N 3.47Å; D238-N242 PolarHBondContact O-ND2 2.8Å; D238-N242 PolarHBondContact O-OD1 2.8Å; N239-N242 WeakPolarHBondContact O-CB 3.35Å; N239-N242 PolarHBondContact O-N 2.69Å; T240-N242 VanDerWaalsContact C-N 3.35Å; T240-N242 PolarHBondContact O-N 3.05Å; N242-H245 WeakPolarHBondContact CA-ND1 3.36Å; N242-H245 PolarHBondContact O-CE1 3.49Å; N242-H245 PolarHBondContact O-ND1 3.23Å; N242-T246 PolarHBondContact O-OG1 3.37Å; N242-T246 VanDerWaalsContact O-OG1 3.05Å
243L98.2Very high97.5Very high78 Ų7841.4 Ų41.441%0.40822%0.218SC..Hα-helixtrans-79.1-42.2179.8-65173.6000112.6L3 N239 T240 I241 T246 F247L3-L243 HydrophobicContact CD1-CD2 4.13Å; L3-L243 HydrophobicContact CD2-CD2 4.36Å; N239-L243 WeakPolarHBondContact O-CG 3.44Å; N239-L243 PolarHBondContact O-N 3.32Å; N239-L243 VanDerWaalsContact O-N 3.08Å; T240-L243 PolarHBondContact O-N 3.21Å; I241-L243 VanDerWaalsContact C-N 3.3Å; I241-L243 PolarHBondContact O-N 3.19Å; L243-T246 PolarHBondContact O-N 3.45Å; L243-T246 PolarHBondContact O-OG1 2.85Å; L243-F247 PolarHBondContact O-N 3.42Å
244I98Very high97.6Very high8 Ų840.2 Ų40.24%0.04121%0.211CC..Hα-helixtrans-72.6-37.7-172.4-160.865.9000111.7F125 V163 F165 F225 T240 I241 T246 F247F125-I244 HydrophobicContact CD1-CG2 3.95Å; F125-I244 HydrophobicContact CE1-CG1 4.39Å; F125-I244 HydrophobicContact CE1-CG2 3.51Å; F125-I244 HydrophobicContact CE2-CG2 4.39Å; F125-I244 HydrophobicContact CZ-CG2 3.76Å; V163-I244 HydrophobicContact CB-CG1 4.45Å; V163-I244 HydrophobicContact CG1-CG1 4.2Å; F165-I244 HydrophobicContact CE2-CD1 3.94Å; F165-I244 HydrophobicContact CE2-CG1 4.01Å; F165-I244 HydrophobicContact CZ-CG1 4.2Å; F165-I244 VanDerWaalsContact CZ-O 3.23Å; F165-I244 WeakPolarHBondContact CZ-O 3.37Å; F225-I244 HydrophobicContact CB-CD1 3.82Å; F225-I244 HydrophobicContact CD1-CD1 3.77Å; F225-I244 HydrophobicContact CD2-CD1 3.62Å; F225-I244 HydrophobicContact CE1-CD1 4.23Å; F225-I244 HydrophobicContact CE2-CD1 4.1Å; F225-I244 HydrophobicContact CG-CD1 3.44Å; F225-I244 VanDerWaalsContact CG-CD1 3.44Å; F225-I244 HydrophobicContact CZ-CD1 4.38Å; T240-I244 WeakPolarHBondContact O-CB 3.29Å; T240-I244 VanDerWaalsContact O-CG2 3.27Å; T240-I244 WeakPolarHBondContact O-CG2 3.43Å; T240-I244 PolarHBondContact O-N 2.79Å; I241-I244 PolarHBondContact O-N 3.35Å; I244-T246 VanDerWaalsContact C-N 3.27Å; I244-T246 PolarHBondContact O-N 2.99Å; I244-F247 WeakPolarHBondContact O-CB 3.25Å; I244-F247 PolarHBondContact O-N 2.87Å
245H97.1Very high97.7Very high18 Ų1837.6 Ų37.68%0.08319%0.189CC..Hα-helixtrans-71.2-22.9-179.485.6-77.3000112.9F125 I241 N242F125-H245 HydrophobicContact CE2-CB 4.2Å; I241-H245 PolarHBondContact O-N 3.3Å; I241-H245 PolarHBondContact O-ND1 3.02Å; N242-H245 WeakPolarHBondContact CA-ND1 3.36Å; N242-H245 PolarHBondContact O-CE1 3.49Å; N242-H245 PolarHBondContact O-ND1 3.23Å
246T97.6Very high97.8Very high20 Ų2034.9 Ų34.912%0.12317%0.17CC..THydrogen-bonded Turntrans-92.8-4.3176.255.30000113.2N242 L243 I244 R248 D249 Y250N242-T246 PolarHBondContact O-OG1 3.37Å; N242-T246 VanDerWaalsContact O-OG1 3.05Å; L243-T246 PolarHBondContact O-N 3.45Å; L243-T246 PolarHBondContact O-OG1 2.85Å; I244-T246 VanDerWaalsContact C-N 3.27Å; I244-T246 PolarHBondContact O-N 2.99Å; T246-R248 PolarHBondContact O-N 3.27Å; T246-D249 PolarHBondContact O-N 3.39Å; T246-Y250 WeakPolarHBondContact O-CB 3.33Å; T246-Y250 PolarHBondContact O-N 2.9Å
247F98.2Very high97.8Very high11 Ų1136 Ų365%0.04818%0.176CC..Hα-helixtrans-57.1-45.1-171.1168.1-102.5000113.1F165 M182 F185 I223 F225 L243 I244 D249 Y250 L251F165-F247 AromaticContact CD2-CD1 3.87Å; F165-F247 HydrophobicContact CD2-CD1 3.87Å; F165-F247 HydrophobicContact CD2-CE1 4.45Å; F165-F247 HydrophobicContact CE2-CB 4.47Å; F165-F247 HydrophobicContact CE2-CD1 4.1Å; F165-F247 HydrophobicContact CG-CD1 4.32Å; M182-F247 HydrophobicContact CE-CZ 4.04Å; M182-F247 HydrophobicContact SD-CZ 4.21Å; F185-F247 HydrophobicContact CE1-CE2 4.27Å; F185-F247 HydrophobicContact CE2-CE2 4.41Å; F185-F247 HydrophobicContact CZ-CE2 4.14Å; I223-F247 HydrophobicContact CB-CE1 3.93Å; I223-F247 HydrophobicContact CB-CZ 4.37Å; I223-F247 HydrophobicContact CD1-CE1 4.43Å; I223-F247 HydrophobicContact CG1-CE1 3.98Å; I223-F247 HydrophobicContact CG1-CZ 4.24Å; I223-F247 HydrophobicContact CG2-CE1 3.73Å; I223-F247 HydrophobicContact CG2-CZ 3.78Å; F225-F247 AromaticContact CE2-CD1 3.61Å; F225-F247 HydrophobicContact CE2-CD1 3.61Å; F225-F247 AromaticContact CE2-CD2 3.8Å; F225-F247 HydrophobicContact CE2-CD2 3.8Å; F225-F247 AromaticContact CE2-CE1 3.64Å; F225-F247 HydrophobicContact CE2-CE1 3.64Å; F225-F247 AromaticContact CE2-CE2 3.82Å; F225-F247 HydrophobicContact CE2-CE2 3.82Å; F225-F247 AromaticContact CE2-CG 3.69Å; F225-F247 HydrophobicContact CE2-CG 3.69Å; F225-F247 AromaticContact CE2-CZ 3.73Å; F225-F247 HydrophobicContact CE2-CZ 3.73Å; F225-F247 HydrophobicContact CZ-CD1 4.21Å; F225-F247 AromaticContact CZ-CD2 3.51Å; F225-F247 HydrophobicContact CZ-CD2 3.51Å; F225-F247 HydrophobicContact CZ-CE1 4.25Å; F225-F247 AromaticContact CZ-CE2 3.54Å; F225-F247 HydrophobicContact CZ-CE2 3.54Å; F225-F247 AromaticContact CZ-CG 3.86Å; F225-F247 HydrophobicContact CZ-CG 3.86Å; F225-F247 AromaticContact CZ-CZ 3.92Å; F225-F247 HydrophobicContact CZ-CZ 3.92Å; L243-F247 PolarHBondContact O-N 3.42Å; I244-F247 WeakPolarHBondContact O-CB 3.25Å; I244-F247 PolarHBondContact O-N 2.87Å; F247-D249 PolarHBondContact O-N 2.96Å; F247-Y250 WeakPolarHBondContact O-CB 3.09Å; F247-Y250 PolarHBondContact O-N 3.24Å; F247-L251 HydrophobicContact CZ-CB 4.46Å; F247-L251 HydrophobicContact CZ-CD2 4.26Å; F247-L251 PolarHBondContact O-N 3.3Å
248R97.5Very high97.9Very high28 Ų2835.7 Ų35.711%0.10618%0.18CC..Hα-helixtrans-60.2-49.4-179178.3-91-176.2-157.2-4.6110.8Y146 R147 E150 F165 T246 Y250 L251 H252Y146-R248 HydrophobicContact CE2-CB 4.23Å; Y146-R248 HydrophobicContact CE2-CG 3.8Å; R147-R248 VanDerWaalsContact CD-CZ 3.42Å; R147-R248 VanDerWaalsContact NE-NH2 3.18Å; E150-R248 IonicContact OE1-CZ 3.83Å; E150-R248 IonicContact OE1-NE 3.05Å; E150-R248 PolarHBondContact OE1-NE 3.24Å; E150-R248 IonicContact OE1-NH2 3.98Å; E150-R248 PolarHBondContact OE1-NH2 3.35Å; E150-R248 IonicContact OE2-CZ 2.69Å; E150-R248 IonicContact OE2-NE 2.68Å; E150-R248 PolarHBondContact OE2-NE 3.37Å; E150-R248 IonicContact OE2-NH2 3.66Å; F165-R248 HydrophobicContact CD1-CB 4.48Å; T246-R248 PolarHBondContact O-N 3.27Å; R248-Y250 VanDerWaalsContact C-N 3.33Å; R248-Y250 PolarHBondContact O-N 2.93Å; R248-L251 PolarHBondContact O-N 3.24Å; R248-H252 PolarHBondContact O-CD2 2.75Å; R248-H252 VanDerWaalsContact O-CD2 3.3Å; R248-H252 PolarHBondContact O-N 2.9Å; R248-H252 VanDerWaalsContact O-N 3.1Å
249D97.7Very high97.9Very high8 Ų834.3 Ų34.34%0.04317%0.17CC..Hα-helixtrans-67.1-36.7178.8-65-43.9000111.7L4 F38 T246 F247 L251 H252 Y253L4-D249 HydrophobicContact CD1-CB 3.63Å; F38-D249 VanDerWaalsContact CB-CG 3.49Å; F38-D249 WeakPolarHBondContact CB-OD2 3.26Å; F38-D249 HydrophobicContact CD1-CB 4.35Å; F38-D249 HydrophobicContact CG-CB 4.23Å; T246-D249 PolarHBondContact O-N 3.39Å; F247-D249 PolarHBondContact O-N 2.96Å; D249-L251 VanDerWaalsContact C-N 3.34Å; D249-L251 PolarHBondContact O-N 3.13Å; D249-H252 PolarHBondContact O-N 3.39Å; D249-Y253 WeakPolarHBondContact O-CB 3.28Å; D249-Y253 PolarHBondContact O-N 3.41Å
250Y98.4Very high97.9Very high43 Ų4332.1 Ų32.117%0.16917%0.166CC..Hα-helixtrans-56.7-48.2173.4170.7-84.9000111.2I2 L3 F185 T246 F247 R248 Y253 H254I2-Y250 HydrophobicContact CG2-CE2 4.41Å; I2-Y250 VanDerWaalsContact O-CE2 3.28Å; I2-Y250 WeakPolarHBondContact O-CE2 3.3Å; L3-Y250 HydrophobicContact CD2-CD2 4.26Å; L3-Y250 HydrophobicContact CD2-CE2 3.87Å; F185-Y250 HydrophobicContact CE2-CE1 4.19Å; F185-Y250 HydrophobicContact CZ-CD1 4.42Å; F185-Y250 AromaticContact CZ-CE1 3.75Å; F185-Y250 HydrophobicContact CZ-CE1 3.75Å; T246-Y250 WeakPolarHBondContact O-CB 3.33Å; T246-Y250 PolarHBondContact O-N 2.9Å; F247-Y250 WeakPolarHBondContact O-CB 3.09Å; F247-Y250 PolarHBondContact O-N 3.24Å; R248-Y250 VanDerWaalsContact C-N 3.33Å; R248-Y250 PolarHBondContact O-N 2.93Å; Y250-Y253 PolarHBondContact O-N 3.01Å; Y250-H254 AromaticContact CD1-CD2 3.9Å; Y250-H254 AromaticContact CD2-CD2 3.55Å; Y250-H254 AromaticContact CD2-NE2 3.6Å; Y250-H254 AromaticContact CE1-CD2 3.58Å; Y250-H254 AromaticContact CE2-CD2 3.25Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.5Å; Y250-H254 AromaticContact CE2-NE2 3.09Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.37Å; Y250-H254 AromaticContact CG-CD2 3.87Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-NE2 3.47Å; Y250-H254 PolarHBondContact O-CD2 3.41Å; Y250-H254 PolarHBondContact O-N 3.18Å
251L97.8Very high97.9Very high1 Ų137.3 Ų37.31%0.00518%0.184CC..Hα-helixtrans-60.5-52.3178.7175.256.7000111F169 F181 M182 F247 R248 D249 Y253 H254 I255F169-L251 HydrophobicContact CE1-CD2 4.45Å; F169-L251 HydrophobicContact CZ-CD2 4.28Å; F181-L251 HydrophobicContact CB-CD1 3.92Å; F181-L251 HydrophobicContact CG-CD1 4.3Å; M182-L251 HydrophobicContact CE-CD1 3.44Å; M182-L251 VanDerWaalsContact CE-CD1 3.44Å; M182-L251 HydrophobicContact CE-CD2 3.67Å; M182-L251 HydrophobicContact CE-CG 4.14Å; M182-L251 HydrophobicContact SD-CD2 4.19Å; F247-L251 HydrophobicContact CZ-CB 4.46Å; F247-L251 HydrophobicContact CZ-CD2 4.26Å; F247-L251 PolarHBondContact O-N 3.3Å; R248-L251 PolarHBondContact O-N 3.24Å; D249-L251 VanDerWaalsContact C-N 3.34Å; D249-L251 PolarHBondContact O-N 3.13Å; L251-Y253 VanDerWaalsContact C-N 3.29Å; L251-Y253 PolarHBondContact O-N 3.45Å; L251-H254 PolarHBondContact O-N 2.94Å; L251-I255 HydrophobicContact CD1-CD1 3.93Å; L251-I255 HydrophobicContact CD1-CG1 4.23Å; L251-I255 HydrophobicContact CG-CD1 3.99Å; L251-I255 WeakPolarHBondContact O-CG1 3.46Å; L251-I255 PolarHBondContact O-N 3.32Å
252H97.8Very high97.9Very high14 Ų1441 Ų417%0.06520%0.203CC..Hα-helixtrans-65.6-31.2-178.8-83.5-85.7000113.3T167 V168 R248 D249 K256T167-H252 PolarHBondContact OG1-NE2 2.9Å; V168-H252 PolarHBondContact O-CE1 3.35Å; R248-H252 PolarHBondContact O-CD2 2.75Å; R248-H252 VanDerWaalsContact O-CD2 3.3Å; R248-H252 PolarHBondContact O-N 2.9Å; R248-H252 VanDerWaalsContact O-N 3.1Å; D249-H252 PolarHBondContact O-N 3.39Å; H252-K256 WeakPolarHBondContact O-CG 3.34Å; H252-K256 PolarHBondContact O-N 3.28Å; H252-K256 PolarHBondContact O-NZ 3.3Å
253Y98.3Very high97.9Very high77 Ų7743.9 Ų43.930%0.30222%0.216SC..Hα-helixtrans-65.4-49.9172.2170-101.3000110.9L4 D249 Y250 L251 I255 K256 C257L4-Y253 HydrophobicContact CD2-CD1 3.89Å; L4-Y253 HydrophobicContact CD2-CD2 4.19Å; L4-Y253 HydrophobicContact CD2-CE1 4.28Å; L4-Y253 HydrophobicContact CD2-CG 3.84Å; D249-Y253 WeakPolarHBondContact O-CB 3.28Å; D249-Y253 PolarHBondContact O-N 3.41Å; Y250-Y253 PolarHBondContact O-N 3.01Å; L251-Y253 VanDerWaalsContact C-N 3.29Å; L251-Y253 PolarHBondContact O-N 3.45Å; Y253-I255 PolarHBondContact O-N 3.41Å; Y253-K256 PolarHBondContact O-N 3.42Å; Y253-K256 VanDerWaalsContact O-N 3.15Å; Y253-C257 PolarHBondContact O-N 3.1Å; Y253-C257 PolarHBondContact O-SG 3.37Å; Y253-C257 VanDerWaalsContact O-SG 3.41Å
254H98.4Very high97.9Very high28 Ų2843.5 Ų43.513%0.1322%0.217CC..Hα-helixtrans-69.6-30.8-178.1-80.3-62.4000113.8I2 F181 Y250 L251 C257 S258I2-H254 PolarHBondContact O-CE1 3.33Å; I2-H254 PolarHBondContact O-NE2 2.92Å; F181-H254 HydrophobicContact CE1-CB 3.8Å; F181-H254 HydrophobicContact CZ-CB 3.94Å; Y250-H254 AromaticContact CD1-CD2 3.9Å; Y250-H254 AromaticContact CD2-CD2 3.55Å; Y250-H254 AromaticContact CD2-NE2 3.6Å; Y250-H254 AromaticContact CE1-CD2 3.58Å; Y250-H254 AromaticContact CE2-CD2 3.25Å; Y250-H254 WeakPolarHBondContact CE2-CD2 3.5Å; Y250-H254 AromaticContact CE2-NE2 3.09Å; Y250-H254 WeakPolarHBondContact CE2-NE2 3.37Å; Y250-H254 AromaticContact CG-CD2 3.87Å; Y250-H254 AromaticContact CZ-CD2 3.25Å; Y250-H254 AromaticContact CZ-NE2 3.47Å; Y250-H254 PolarHBondContact O-CD2 3.41Å; Y250-H254 PolarHBondContact O-N 3.18Å; L251-H254 PolarHBondContact O-N 2.94Å; H254-C257 PolarHBondContact O-N 3.4Å; H254-S258 WeakPolarHBondContact O-CB 3.49Å; H254-S258 PolarHBondContact O-N 3.32Å
255I97.7Very high97.9Very high0 Ų050.6 Ų50.60%024%0.243CC..Hα-helixtrans-58.9-49168.9-70.1168.3000110.1F169 D174 I177 F181 L251 Y253 C257 S258 K259F169-I255 HydrophobicContact CD1-CD1 4.23Å; F169-I255 HydrophobicContact CE1-CD1 3.73Å; D174-I255 HydrophobicContact CB-CG2 4.03Å; D174-I255 WeakPolarHBondContact OD1-CG2 3.48Å; I177-I255 HydrophobicContact CB-CG2 4.32Å; I177-I255 HydrophobicContact CG2-CB 4.43Å; I177-I255 HydrophobicContact CG2-CG1 4.16Å; I177-I255 HydrophobicContact CG2-CG2 4.09Å; F181-I255 HydrophobicContact CD2-CG1 4.22Å; F181-I255 HydrophobicContact CE2-CG1 4.36Å; L251-I255 HydrophobicContact CD1-CD1 3.93Å; L251-I255 HydrophobicContact CD1-CG1 4.23Å; L251-I255 HydrophobicContact CG-CD1 3.99Å; L251-I255 WeakPolarHBondContact O-CG1 3.46Å; L251-I255 PolarHBondContact O-N 3.32Å; Y253-I255 PolarHBondContact O-N 3.41Å; I255-C257 PolarHBondContact O-N 3.36Å; I255-S258 WeakPolarHBondContact O-CB 3.38Å; I255-S258 PolarHBondContact O-N 3.17Å; I255-K259 PolarHBondContact O-N 3.16Å
256K97.9Very high98Very high107 Ų10754.4 Ų54.447%0.46526%0.262SS..Hα-helixtrans-64.1-41.5178.5-69.6171.3-174.161.50112.1H252 Y253 S258 K259 A260H252-K256 WeakPolarHBondContact O-CG 3.34Å; H252-K256 PolarHBondContact O-N 3.28Å; H252-K256 PolarHBondContact O-NZ 3.3Å; Y253-K256 PolarHBondContact O-N 3.42Å; Y253-K256 VanDerWaalsContact O-N 3.15Å; K256-S258 VanDerWaalsContact C-N 3.33Å; K256-S258 PolarHBondContact O-N 2.97Å; K256-K259 PolarHBondContact O-N 2.94Å; K256-A260 PolarHBondContact O-N 3.46Å
257C98.1Very high98Very high48 Ų4860.9 Ų60.932%0.32428%0.284SS..Hα-helixtrans-61.9-39.6174.4-72.50000112.3Y253 H254 I255 A260 Y261Y253-C257 PolarHBondContact O-N 3.1Å; Y253-C257 PolarHBondContact O-SG 3.37Å; Y253-C257 VanDerWaalsContact O-SG 3.41Å; H254-C257 PolarHBondContact O-N 3.4Å; I255-C257 PolarHBondContact O-N 3.36Å; C257-A260 PolarHBondContact O-N 2.88Å; C257-Y261 PolarHBondContact O-N 3.15Å
258S97.9Very high98Very high37 Ų3762.9 Ų62.926%0.25930%0.303SS..Hα-helixtrans-61.9-46.3174.6-173.70000111.4H254 I255 K256 A260 Y261 I262H254-S258 WeakPolarHBondContact O-CB 3.49Å; H254-S258 PolarHBondContact O-N 3.32Å; I255-S258 WeakPolarHBondContact O-CB 3.38Å; I255-S258 PolarHBondContact O-N 3.17Å; K256-S258 VanDerWaalsContact C-N 3.33Å; K256-S258 PolarHBondContact O-N 2.97Å; S258-A260 VanDerWaalsContact C-N 3.34Å; S258-A260 PolarHBondContact O-N 3.46Å; S258-Y261 WeakPolarHBondContact O-CB 3.43Å; S258-Y261 PolarHBondContact O-N 3.34Å; S258-Y261 VanDerWaalsContact O-N 3.13Å; S258-I262 WeakPolarHBondContact O-CG1 3.37Å; S258-I262 PolarHBondContact O-N 3.23Å
259K97.3Very high98.1Very high50 Ų5066.9 Ų66.922%0.21732%0.321CS..Hα-helixtrans-58.2-45.2174-66.8-161-66.7-163.20111.9D171 D174 I177 I255 K256 Y261 I262 H263D171-K259 IonicContact OD2-NZ 2.64Å; D171-K259 PolarHBondContact OD2-NZ 2.77Å; D174-K259 VanDerWaalsContact CG-NZ 3.33Å; D174-K259 WeakPolarHBondContact OD1-CE 3.43Å; D174-K259 IonicContact OD1-NZ 3.03Å; D174-K259 PolarHBondContact OD1-NZ 3.08Å; D174-K259 IonicContact OD2-NZ 3.88Å; D174-K259 PolarHBondContact OD2-NZ 3.32Å; I177-K259 HydrophobicContact CD1-CD 3.96Å; I177-K259 HydrophobicContact CD1-CG 3.58Å; I255-K259 PolarHBondContact O-N 3.16Å; K256-K259 PolarHBondContact O-N 2.94Å; K259-Y261 VanDerWaalsContact C-N 3.31Å; K259-Y261 PolarHBondContact O-N 2.65Å; K259-I262 PolarHBondContact O-N 3.38Å; K259-H263 PolarHBondContact O-CD2 2.83Å; K259-H263 VanDerWaalsContact O-CD2 3.24Å; K259-H263 PolarHBondContact O-N 2.94Å
260A98.2Very high98.1Very high53 Ų5370 Ų7044%0.43834%0.341SS..Hα-helixtrans-60.3-40.417600000112.3K256 C257 S258 H263 T264K256-A260 PolarHBondContact O-N 3.46Å; C257-A260 PolarHBondContact O-N 2.88Å; S258-A260 VanDerWaalsContact C-N 3.34Å; S258-A260 PolarHBondContact O-N 3.46Å; A260-H263 WeakPolarHBondContact O-CB 3.42Å; A260-H263 PolarHBondContact O-N 3.02Å; A260-T264 PolarHBondContact O-N 2.95Å
261Y97.9Very high98.1Very high128 Ų12870.6 Ų70.650%0.50235%0.351SS..Hα-helixtrans-63.8-46175-178.4-104.8000111.9C257 S258 K259 H263 T264 R265C257-Y261 PolarHBondContact O-N 3.15Å; S258-Y261 WeakPolarHBondContact O-CB 3.43Å; S258-Y261 PolarHBondContact O-N 3.34Å; S258-Y261 VanDerWaalsContact O-N 3.13Å; K259-Y261 VanDerWaalsContact C-N 3.31Å; K259-Y261 PolarHBondContact O-N 2.65Å; Y261-H263 PolarHBondContact O-N 3.48Å; Y261-T264 PolarHBondContact O-N 3.14Å; Y261-T264 PolarHBondContact O-OG1 2.97Å; Y261-R265 HydrophobicContact CD1-CG 4.44Å; Y261-R265 HydrophobicContact CE1-CG 4.03Å; Y261-R265 PolarHBondContact O-N 2.89Å; Y261-R265 VanDerWaalsContact O-N 3.14Å; Y261-R265 PolarHBondContact OH-NE 3.48Å; Y261-R265 VanDerWaalsContact OH-NE 3.14Å; Y261-R265 PolarHBondContact OH-NH2 3.38Å
262I97.8Very high98.1Very high77 Ų7774 Ų7440%0.39537%0.369SS..Hα-helixtrans-56.3-41174.3-66.1166.2000110.3S258 K259 T264 R265 M266S258-I262 WeakPolarHBondContact O-CG1 3.37Å; S258-I262 PolarHBondContact O-N 3.23Å; K259-I262 PolarHBondContact O-N 3.38Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 3.5Å; I262-R265 WeakPolarHBondContact O-CB 3.5Å; I262-R265 PolarHBondContact O-N 3.26Å; I262-R265 VanDerWaalsContact O-N 3.15Å; I262-M266 HydrophobicContact CG2-CE 4.18Å; I262-M266 HydrophobicContact CG2-CG 4.35Å; I262-M266 HydrophobicContact CG2-SD 4.41Å; I262-M266 WeakPolarHBondContact O-CG 3.45Å; I262-M266 PolarHBondContact O-N 3.2Å
263H98.1Very high98.1Very high87 Ų8779.4 Ų79.440%0.40339%0.392SS..Hα-helixtrans-58.9-38.9174.2-67.5-177.9000112.8K259 A260 Y261 M266 R267K259-H263 PolarHBondContact O-CD2 2.83Å; K259-H263 VanDerWaalsContact O-CD2 3.24Å; K259-H263 PolarHBondContact O-N 2.94Å; A260-H263 WeakPolarHBondContact O-CB 3.42Å; A260-H263 PolarHBondContact O-N 3.02Å; Y261-H263 PolarHBondContact O-N 3.48Å; H263-M266 HydrophobicContact CB-CE 4.4Å; H263-M266 WeakPolarHBondContact CD2-CE 3.32Å; H263-M266 PolarHBondContact O-N 3.15Å; H263-R267 WeakPolarHBondContact O-CG 3.47Å; H263-R267 PolarHBondContact O-N 2.99Å; H263-R267 PolarHBondContact O-NH1 3.35Å
264T98.3Very high98.1Very high70 Ų7080.1 Ų80.143%0.42940%0.401SS..Hα-helixtrans-65.8-39.8176.469.50000112A260 Y261 I262 R267 A268A260-T264 PolarHBondContact O-N 2.95Å; Y261-T264 PolarHBondContact O-N 3.14Å; Y261-T264 PolarHBondContact O-OG1 2.97Å; I262-T264 VanDerWaalsContact C-N 3.31Å; I262-T264 PolarHBondContact O-N 3.5Å; T264-R267 PolarHBondContact O-N 3.08Å; T264-A268 PolarHBondContact O-N 3.37Å
265R98.4Very high97.9Very high158 Ų15883.2 Ų83.260%0.59641%0.414SS*.Hα-helixtrans-65-42.6175.6-68.6-68.7-177.5176.32.2112.1Y261 I262 A268 K269Y261-R265 HydrophobicContact CD1-CG 4.44Å; Y261-R265 HydrophobicContact CE1-CG 4.03Å; Y261-R265 PolarHBondContact O-N 2.89Å; Y261-R265 VanDerWaalsContact O-N 3.14Å; Y261-R265 PolarHBondContact OH-NE 3.48Å; Y261-R265 VanDerWaalsContact OH-NE 3.14Å; Y261-R265 PolarHBondContact OH-NH2 3.38Å; I262-R265 WeakPolarHBondContact O-CB 3.5Å; I262-R265 PolarHBondContact O-N 3.26Å; I262-R265 VanDerWaalsContact O-N 3.15Å; R265-A268 PolarHBondContact O-N 3.04Å; R265-K269 PolarHBondContact O-N 3.25Å
266M98.3Very high97.9Very high98 Ų9887.4 Ų87.448%0.48344%0.439SS..Hα-helixtrans-60.4-48.3174.5-70.8-168.8-64.200111.4I262 H263 A268 K269 T270I262-M266 HydrophobicContact CG2-CE 4.18Å; I262-M266 HydrophobicContact CG2-CG 4.35Å; I262-M266 HydrophobicContact CG2-SD 4.41Å; I262-M266 WeakPolarHBondContact O-CG 3.45Å; I262-M266 PolarHBondContact O-N 3.2Å; H263-M266 HydrophobicContact CB-CE 4.4Å; H263-M266 WeakPolarHBondContact CD2-CE 3.32Å; H263-M266 PolarHBondContact O-N 3.15Å; M266-A268 VanDerWaalsContact C-N 3.33Å; M266-A268 PolarHBondContact O-N 2.78Å; M266-K269 PolarHBondContact O-N 2.87Å; M266-K269 VanDerWaalsContact O-N 3.15Å; M266-T270 WeakPolarHBondContact O-CB 3.32Å; M266-T270 PolarHBondContact O-N 2.95Å; M266-T270 PolarHBondContact O-OG1 3.21Å
267R98.4Very high97.8Very high155 Ų15586.8 Ų86.859%0.58544%0.441SS*.Hα-helixtrans-58-43.7177.2-71.2-178.7-163.2103.2-4.8112.5H263 T264 T270 S271H263-R267 WeakPolarHBondContact O-CG 3.47Å; H263-R267 PolarHBondContact O-N 2.99Å; H263-R267 PolarHBondContact O-NH1 3.35Å; T264-R267 PolarHBondContact O-N 3.08Å; R267-T270 PolarHBondContact O-N 2.85Å; R267-S271 WeakPolarHBondContact O-CB 3.46Å; R267-S271 PolarHBondContact O-N 3.14Å
268A98.3Very high97.6Very high53 Ų5388.8 Ų88.844%0.43845%0.448SS..Hα-helixtrans-60.2-47176.500000111.2T264 R265 M266 S271 D272T264-A268 PolarHBondContact O-N 3.37Å; R265-A268 PolarHBondContact O-N 3.04Å; M266-A268 VanDerWaalsContact C-N 3.33Å; M266-A268 PolarHBondContact O-N 2.78Å; A268-S271 WeakPolarHBondContact O-CB 3.37Å; A268-S271 PolarHBondContact O-N 2.9Å; A268-D272 PolarHBondContact O-N 3.14Å; A268-D272 VanDerWaalsContact O-N 3.08Å
269K98.2Very high97.4Very high112 Ų11296.4 Ų96.449%0.48747%0.471SS..Hα-helixtrans-68.2-39.1-179.4-165.665.2-179.7177.30112.9R265 M266 S271 D272 F273R265-K269 PolarHBondContact O-N 3.25Å; M266-K269 PolarHBondContact O-N 2.87Å; M266-K269 VanDerWaalsContact O-N 3.15Å; K269-S271 VanDerWaalsContact C-N 3.33Å; K269-S271 PolarHBondContact O-N 2.91Å; K269-D272 PolarHBondContact O-N 3Å; K269-F273 HydrophobicContact CD-CE2 4.47Å; K269-F273 HydrophobicContact CD-CZ 4.27Å; K269-F273 HydrophobicContact CG-CD2 4.21Å; K269-F273 HydrophobicContact CG-CE2 3.65Å; K269-F273 HydrophobicContact CG-CZ 3.91Å; K269-F273 WeakPolarHBondContact O-CD2 3.39Å; K269-F273 WeakPolarHBondContact O-CG 3.44Å; K269-F273 PolarHBondContact O-N 3.24Å
270T98.4Very high97.2Very high75 Ų7597.9 Ų97.946%0.4649%0.493SS..Hα-helixtrans-61.2-42.4172.7-59.20000111.1M266 R267 D272 F273 L274M266-T270 WeakPolarHBondContact O-CB 3.32Å; M266-T270 PolarHBondContact O-N 2.95Å; M266-T270 PolarHBondContact O-OG1 3.21Å; R267-T270 PolarHBondContact O-N 2.85Å; T270-D272 VanDerWaalsContact C-N 3.28Å; T270-D272 PolarHBondContact O-N 3.33Å; T270-F273 PolarHBondContact O-N 2.81Å; T270-L274 HydrophobicContact CG2-CD1 4.21Å; T270-L274 HydrophobicContact CG2-CG 4.41Å; T270-L274 VanDerWaalsContact O-CG 3.32Å; T270-L274 WeakPolarHBondContact O-CG 3.38Å; T270-L274 PolarHBondContact O-N 3.16Å
271S98.2Very high96.8Very high55 Ų55103 Ų10339%0.38550%0.501SS..Hα-helixtrans-57.8-42.4174.2-175.30000111.6R267 A268 K269 L274 K275R267-S271 WeakPolarHBondContact O-CB 3.46Å; R267-S271 PolarHBondContact O-N 3.14Å; A268-S271 WeakPolarHBondContact O-CB 3.37Å; A268-S271 PolarHBondContact O-N 2.9Å; K269-S271 VanDerWaalsContact C-N 3.33Å; K269-S271 PolarHBondContact O-N 2.91Å; S271-L274 PolarHBondContact O-N 3.06Å; S271-K275 WeakPolarHBondContact O-CG 3.32Å; S271-K275 PolarHBondContact O-N 3.25Å
272D98Very high96.3Very high72 Ų72102.9 Ų102.939%0.38552%0.516SS..Hα-helixtrans-66-42.3176.7-68.2-20.7000112.7A268 K269 T270 L274 K275 V276A268-D272 PolarHBondContact O-N 3.14Å; A268-D272 VanDerWaalsContact O-N 3.08Å; K269-D272 PolarHBondContact O-N 3Å; T270-D272 VanDerWaalsContact C-N 3.28Å; T270-D272 PolarHBondContact O-N 3.33Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.47Å; D272-K275 WeakPolarHBondContact O-CB 3.32Å; D272-K275 PolarHBondContact O-N 3.39Å; D272-K275 IonicContact OD1-NZ 2.89Å; D272-K275 PolarHBondContact OD1-NZ 2.88Å; D272-V276 WeakPolarHBondContact O-CG2 3.39Å; D272-V276 PolarHBondContact O-N 3.4Å
273F98Very high95.4Very high127 Ų127106.6 Ų106.656%0.55754%0.537SS*.Hα-helixtrans-62.6-40.8174.7-68.1-39000112.5K269 T270 K275 V276 L277K269-F273 HydrophobicContact CD-CE2 4.47Å; K269-F273 HydrophobicContact CD-CZ 4.27Å; K269-F273 HydrophobicContact CG-CD2 4.21Å; K269-F273 HydrophobicContact CG-CE2 3.65Å; K269-F273 HydrophobicContact CG-CZ 3.91Å; K269-F273 WeakPolarHBondContact O-CD2 3.39Å; K269-F273 WeakPolarHBondContact O-CG 3.44Å; K269-F273 PolarHBondContact O-N 3.24Å; T270-F273 PolarHBondContact O-N 2.81Å; F273-K275 VanDerWaalsContact C-N 3.32Å; F273-K275 PolarHBondContact O-N 3.14Å; F273-V276 PolarHBondContact O-N 3.01Å; F273-L277 WeakPolarHBondContact O-CB 3.48Å; F273-L277 PolarHBondContact O-N 3.21Å
274L97.4Very high93.9Very high93 Ų93106.9 Ų106.949%0.48755%0.554SS.*Hα-helixtrans-63.4-38.3175.3-70.4174.8000111.8T270 S271 D272 L277 N278T270-L274 HydrophobicContact CG2-CD1 4.21Å; T270-L274 HydrophobicContact CG2-CG 4.41Å; T270-L274 VanDerWaalsContact O-CG 3.32Å; T270-L274 WeakPolarHBondContact O-CG 3.38Å; T270-L274 PolarHBondContact O-N 3.16Å; S271-L274 PolarHBondContact O-N 3.06Å; D272-L274 VanDerWaalsContact C-N 3.35Å; D272-L274 PolarHBondContact O-N 3.47Å; L274-L277 PolarHBondContact O-N 3.45Å; L274-N278 VanDerWaalsContact O-CB 3.32Å; L274-N278 WeakPolarHBondContact O-CB 3.45Å; L274-N278 PolarHBondContact O-N 2.99Å; L274-N278 PolarHBondContact O-ND2 3.39Å
275K96.1Very high92.2Very high93 Ų93112.3 Ų112.340%0.40457%0.574SS.*Hα-helixtrans-61.7-44.1173.2-69.7167.6-164.8161.40111.4S271 D272 F273 N278 R279S271-K275 WeakPolarHBondContact O-CG 3.32Å; S271-K275 PolarHBondContact O-N 3.25Å; D272-K275 WeakPolarHBondContact O-CB 3.32Å; D272-K275 PolarHBondContact O-N 3.39Å; D272-K275 IonicContact OD1-NZ 2.89Å; D272-K275 PolarHBondContact OD1-NZ 2.88Å; F273-K275 VanDerWaalsContact C-N 3.32Å; F273-K275 PolarHBondContact O-N 3.14Å; K275-N278 PolarHBondContact O-N 3.23Å; K275-R279 VanDerWaalsContact O-CG 3.3Å; K275-R279 WeakPolarHBondContact O-CG 3.48Å; K275-R279 PolarHBondContact O-N 3.13Å
276V96.8Very high90.4Very high87 Ų87114.4 Ų114.453%0.52759%0.588SS.*Hα-helixtrans-63.3-45.2177.5173.80000110.8D272 F273 N278 R279 A280D272-V276 WeakPolarHBondContact O-CG2 3.39Å; D272-V276 PolarHBondContact O-N 3.4Å; F273-V276 PolarHBondContact O-N 3.01Å; V276-N278 PolarHBondContact O-N 3.41Å; V276-R279 PolarHBondContact O-N 3.16Å; V276-A280 PolarHBondContact O-N 3.47Å; V276-A280 VanDerWaalsContact O-N 3.16Å
277L95.9Very high88.4Confident94 Ų94118.8 Ų118.849%0.49260%0.604SS.*Hα-helixtrans-62.3-42.5177.8-169.4152.2000111.7F273 L274 R279 A280 R281F273-L277 WeakPolarHBondContact O-CB 3.48Å; F273-L277 PolarHBondContact O-N 3.21Å; L274-L277 PolarHBondContact O-N 3.45Å; L277-R279 VanDerWaalsContact C-N 3.34Å; L277-R279 PolarHBondContact O-N 3.28Å; L277-A280 WeakPolarHBondContact O-CB 3.3Å; L277-A280 PolarHBondContact O-N 3.24Å; L277-A280 VanDerWaalsContact O-N 3.13Å; L277-R281 PolarHBondContact O-N 3.46Å
278N93.6Very high86.5Confident91 Ų91117.1 Ų117.149%0.48760%0.603SS.*Hα-helixtrans-64.4-37176.9-74.5-24.6000112.3L274 K275 V276 A280 R281L274-N278 VanDerWaalsContact O-CB 3.32Å; L274-N278 WeakPolarHBondContact O-CB 3.45Å; L274-N278 PolarHBondContact O-N 2.99Å; L274-N278 PolarHBondContact O-ND2 3.39Å; K275-N278 PolarHBondContact O-N 3.23Å; V276-N278 PolarHBondContact O-N 3.41Å; N278-A280 PolarHBondContact O-N 3.03Å; N278-R281 WeakPolarHBondContact O-CB 3.46Å; N278-R281 PolarHBondContact O-N 3.44Å
279R93.1Very high84.6Confident196 Ų196122.3 Ų122.374%0.7462%0.62SS**Hα-helixtrans-67.1-23.4173.7-70.6176.7-147166.43.4113.5K275 V276 L277 R281K275-R279 VanDerWaalsContact O-CG 3.3Å; K275-R279 WeakPolarHBondContact O-CG 3.48Å; K275-R279 PolarHBondContact O-N 3.13Å; V276-R279 PolarHBondContact O-N 3.16Å; L277-R279 VanDerWaalsContact C-N 3.34Å; L277-R279 PolarHBondContact O-N 3.28Å; R279-R281 VanDerWaalsContact C-N 3.32Å
280A93.7Very high82.6Confident82 Ų82123.4 Ų123.468%0.67863%0.625SS**THydrogen-bonded Turntrans-82.5-11.5176.900000112.8V276 L277 N278V276-A280 PolarHBondContact O-N 3.47Å; V276-A280 VanDerWaalsContact O-N 3.16Å; L277-A280 WeakPolarHBondContact O-CB 3.3Å; L277-A280 PolarHBondContact O-N 3.24Å; L277-A280 VanDerWaalsContact O-N 3.13Å; N278-A280 PolarHBondContact O-N 3.03Å
281R89.6Confident80.8Confident161 Ų161122.5 Ų122.561%0.60862%0.62SS**SBendtrans-72.4134.3170.5-67.2-175.4172.7-173.4-2.5108.4L277 N278 R279 D283L277-R281 PolarHBondContact O-N 3.46Å; N278-R281 WeakPolarHBondContact O-CB 3.46Å; N278-R281 PolarHBondContact O-N 3.44Å; R279-R281 VanDerWaalsContact C-N 3.32Å; R281-D283 PolarHBondContact O-N 3.03Å
282P86.7Confident78.9Confident124 Ų124129 Ų12981%0.80565%0.648SS**PPolyproline II helixtrans-53.4132.1168.9-20.831000108.6A284P282-A284 PolarHBondContact O-N 3.28Å
283D78.9Confident77.3Confident156 Ų156130.1 Ų130.183%0.83466%0.662SS**PPolyproline II helixtrans-52.7133.8168-74.9-34000107.3R281 E285R281-D283 PolarHBondContact O-N 3.03Å; D283-E285 PolarHBondContact O-N 3.19Å
284A68.4Low75.3Confident93 Ų93126.6 Ų126.677%0.76966%0.661SS**PPolyproline II helixtrans-52.5121169.700000106.4P282 K286P282-A284 PolarHBondContact O-N 3.28Å; A284-K286 PolarHBondContact O-N 3.01Å
285E62.1Low73.3Confident183 Ų183129.7 Ų129.786%0.85567%0.67SS**  trans-42.7122.8177.4-79.1-175.2160.900107D283 K287D283-E285 PolarHBondContact O-N 3.19Å; E285-K287 PolarHBondContact O-N 2.99Å
286K60.3Low71.2Confident202 Ų202128.7 Ų128.788%0.87867%0.672SS**  trans-54.999.6169.7-77.6-178.7179.2176.40104.8A284 E288A284-K286 PolarHBondContact O-N 3.01Å; K286-E288 VanDerWaalsContact C-N 3.32Å; K286-E288 PolarHBondContact O-N 2.86Å
287K57Low69.1Low191 Ų191132.3 Ų132.383%0.8368%0.681SS**  trans-55.2106.5172.2-92.7-175174.6179.20104.7E285 M289E285-K287 PolarHBondContact O-N 2.99Å; K287-M289 PolarHBondContact O-N 2.68Å
288E57.5Low67Low119 Ų119133.2 Ų133.256%0.55670%0.695SS**  trans-53.8109.1166.6-80.6-169.8161.500105.9K286 K290 T296K286-E288 VanDerWaalsContact C-N 3.32Å; K286-E288 PolarHBondContact O-N 2.86Å; E288-K290 HydrophobicContact CB-CG 4.43Å; E288-K290 PolarHBondContact O-N 2.8Å; E288-K290 VanDerWaalsContact OE2-CE 3.3Å; E288-K290 WeakPolarHBondContact OE2-CE 3.4Å; E288-T296 HydrophobicContact CB-CG2 4.19Å; E288-T296 HydrophobicContact CG-CG2 3.88Å; E288-T296 WeakPolarHBondContact OE1-CG2 3.3Å
289M59.4Low64.9Low163 Ų163143.7 Ų143.780%0.80373%0.728SS**  trans-68.694.1170.4-76.7-170.5153.800106.6K287K287-M289 PolarHBondContact O-N 2.68Å
290K56Low63.5Low134 Ų134141.1 Ų141.158%0.58373%0.727SS**BIsolated β-bridgetrans-79.3133.3170.5-66.6-173179.9-177.80108.4E288E288-K290 HydrophobicContact CB-CG 4.43Å; E288-K290 PolarHBondContact O-N 2.8Å; E288-K290 VanDerWaalsContact OE2-CE 3.3Å; E288-K290 WeakPolarHBondContact OE2-CE 3.4Å
291T60.7Low61.9Low57 Ų57144.2 Ų144.235%0.3573%0.73SS.*  trans-68.5160.2168.958.40000109.8S293 G294 K295 F297T291-S293 PolarHBondContact O-N 3.35Å; T291-S293 PolarHBondContact OG1-OG 3.19Å; T291-G294 PolarHBondContact O-N 3.38Å; T291-K295 PolarHBondContact N-O 2.89Å; T291-K295 PolarHBondContact OG1-O 3.31Å; T291-F297 HydrophobicContact CG2-CD2 4.03Å; T291-F297 HydrophobicContact CG2-CE2 4.35Å
292I57Low60.4Low191 Ų191143.3 Ų143.398%0.97974%0.737SS**THydrogen-bonded Turntrans-51.9-23.6177.7-80.1170.7000112.9
293S64.4Low58.8Low96 Ų96144.4 Ų144.467%0.67173%0.733SS**THydrogen-bonded Turntrans-91.711.2176.7700000114.8T291 K295T291-S293 PolarHBondContact O-N 3.35Å; T291-S293 PolarHBondContact OG1-OG 3.19Å; S293-K295 PolarHBondContact O-N 2.64Å
294G57Low57.5Low52 Ų52143.7 Ų143.754%0.53673%0.726SS.*SBendtrans76.112.7171.800000116.6T291T291-G294 PolarHBondContact O-N 3.38Å
295K55.8Low56.8Low159 Ų159147.1 Ų147.169%0.69172%0.723SS**  trans-93.2132.2174.1-73.4-173.9177.4-179.30110.9T291 S293T291-K295 PolarHBondContact N-O 2.89Å; T291-K295 PolarHBondContact OG1-O 3.31Å; S293-K295 PolarHBondContact O-N 2.64Å
296T52Low56.4Low71 Ų71144.5 Ų144.544%0.43671%0.714SS.*BIsolated β-bridgetrans-73.8130.2178.1-50.40000110.4E288 S298E288-T296 HydrophobicContact CB-CG2 4.19Å; E288-T296 HydrophobicContact CG-CG2 3.88Å; E288-T296 WeakPolarHBondContact OE1-CG2 3.3Å; T296-S298 PolarHBondContact O-N 3.39Å
297F51.4Low56.2Low163 Ų163140.1 Ų140.172%0.71570%0.701SS**  trans-81.5104.7173.1-128.3-91.5000109.2T291T291-F297 HydrophobicContact CG2-CD2 4.03Å; T291-F297 HydrophobicContact CG2-CE2 4.35Å
298S52.3Low56.1Low113 Ų113135.8 Ų135.879%0.7969%0.691SS**  trans-96123.6163700000108.4T296T296-S298 PolarHBondContact O-N 3.39Å
299R49.4Very low56Low312 Ų312137.4 Ų137.4100%1.17770%0.703SS**  trans-99.20167.4-160-177.2-170.3-176.82.9109.4

Retrieved 299 of 299 residues in 553.7 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).