Position | Descriptor ID | Descriptor No. | Relative importance | Estimated coefficient | Δk (M_{cat}/K_{m}^{−1}s^{−1}) | Attribute | Ref. | |
---|---|---|---|---|---|---|---|---|

P10 | JANJ780102 | 128 | 1 | 7.99 | 567 | P10: 290 | Percentage of buried residues (aar with an accessible surface area smaller than 20 Å^{2}) | (53) |

P10 | GUYH850104 | 522 | 0.439 | 120 | 320 | Apparent partition energies calculated by residues as exposed of buried as in (54) | (55) | |

P2–P1 | PEOE_VSA-6 | 255 (2D) | 0.545 | -11.7 | 651 | P2: 331 P1: 320 | Sum of van der Waals surface area (v_{i} (Å^{2})) where atomic partial charges (q_{i}) calculated by the Partial Equalization of Orbital Electronegativities (PEOE) method is less than -0.30 | MOE |

P3′ | E_ang | 763 | 0.628 | 62.6 | 448 | P3′: 537 P4′: 475 | Angle bend potential energy | MOE |

P3′–P4′ | Q_VSA_PNEG | 282 (2D) | 0.657 | -8.60 | 478 | Total negative polar van der Waals surface area. This is the sum of the v_{i} such that q_{i} is less than -0.2. The v_{i} were calculated using a connection table approximation, and q_{i} using the partial charges stored with each structure in the database | MOE | |

P4′ | ROBB760111 | 349 | 0.592 | -30.5 | 381 | Information measure for C-terminal turn | (56) | |

P4′ | PEOE_VSA+6 | 836 | 0.507 | -11.5 | 395 | Sum of the v_{i} where q_{i} is greater than 0.3 (see PEOE_VSA-6) | MOE | |

P4′ | vsurf_Wp2 | 956 | 0.678 | 1.04 | 472 | Volumes of the interactions with carbonyl probe at -0.5 kcal/mol | MOE |