N CA C O GCA CB KNZ KCD DOD RNH NND RNE SOG HNE YCZ FCZ LCD CSG N -0.724 -0.903 -0.722 -0.322 -0.331 -0.603 1.147 0.937 0.752 0.502 0.405 0.495 -0.116 -0.092 -0.412 -0.499 -1.005 -2.060 CA -0.903 -0.842 -0.850 -0.332 -0.365 -0.531 1.139 0.918 0.852 0.452 0.445 0.436 -0.044 -0.165 -0.539 -0.590 -1.123 -2.028 C -0.722 -0.850 -0.704 -0.371 -0.308 -0.499 1.140 0.846 0.788 0.490 0.408 0.418 -0.045 -0.089 -0.415 -0.478 -0.963 -2.033 O -0.322 -0.332 -0.371 -0.016 0.205 -0.059 1.414 1.075 1.152 0.831 0.758 0.649 0.383 0.241 -0.073 -0.166 -0.650 -1.650 GCA -0.331 -0.365 -0.308 0.205 0.182 -0.009 1.502 1.385 1.192 0.912 0.872 0.943 0.434 0.392 -0.062 -0.021 -0.342 -1.212 CB -0.603 -0.531 -0.499 -0.059 -0.009 -0.469 1.310 1.010 0.859 0.671 0.591 0.565 0.122 0.000 -0.438 -0.533 -1.034 -1.800 KNZ 1.147 1.139 1.140 1.414 1.502 1.310 3.018 2.911 1.157 2.635 1.848 2.699 1.587 1.557 1.004 1.340 1.252 0.700 KCD 0.937 0.918 0.846 1.075 1.385 1.010 2.911 2.811 0.989 2.439 1.622 2.525 1.361 1.277 0.685 0.938 0.814 0.411 DOD 0.752 0.852 0.788 1.152 1.192 0.859 1.157 0.989 1.978 0.695 1.386 0.641 1.002 0.642 0.618 0.894 0.792 -0.029 RNH 0.502 0.452 0.490 0.831 0.912 0.671 2.635 2.439 0.695 1.589 1.395 1.515 1.022 0.948 0.457 0.707 0.586 0.021 NND 0.405 0.445 0.408 0.758 0.872 0.591 1.848 1.622 1.386 1.395 1.300 1.283 0.931 0.829 0.484 0.633 0.389 -0.046 RNE 0.495 0.436 0.418 0.649 0.943 0.565 2.699 2.525 0.641 1.515 1.283 1.309 0.921 0.777 0.265 0.484 0.274 -0.253 SOG -0.116 -0.044 -0.045 0.383 0.434 0.122 1.587 1.361 1.002 1.022 0.931 0.921 0.559 0.319 0.301 0.212 -0.155 -0.949 HNE -0.092 -0.165 -0.089 0.241 0.392 0.000 1.557 1.277 0.642 0.948 0.829 0.777 0.319 -0.301 -0.159 -0.132 -0.338 -1.324 YCZ -0.412 -0.539 -0.415 -0.073 -0.062 -0.438 1.004 0.685 0.618 0.457 0.484 0.265 0.301 -0.159 -0.314 -0.478 -0.964 -1.410 FCZ -0.499 -0.590 -0.478 -0.166 -0.021 -0.533 1.340 0.938 0.894 0.707 0.633 0.484 0.212 -0.132 -0.478 -0.687 -1.240 -1.784 LCD -1.005 -1.123 -0.963 -0.650 -0.342 -1.034 1.252 0.814 0.792 0.586 0.389 0.274 -0.155 -0.338 -0.964 -1.240 -1.873 -2.402 CSG -2.060 -2.028 -2.033 -1.650 -1.212 -1.800 0.700 0.411 -0.029 0.021 -0.046 -0.253 -0.949 -1.324 -1.410 -1.784 -2.402 -3.742 e_i -0.495 -0.553 -0.464 -0.079 0.008 -0.353 1.334 1.046 0.933 0.726 0.693 0.606 0.232 0.061 -0.289 -0.432 -0.987 -1.827 The designation of the 18 atom types are listed in Table 1 of Zhang et al, JMB (1997) 267, 710 The desolvation potential between heavy atoms has a range of 6 A, smoothly going to zero between Rmin = 5 A and Rmax = 7 A. For fast discrimination of poorly packed docked conformations, desolvation patches are better detected with a longer range interaction of 9 A, smoothly going to zero between Rmin = 8 A and Rmax = 10 A.