Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3fpq_A.pdb H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 24.A N LYS 34.A O no hydrogen 2.739 N/A SER 27.A N PHE 32.A O no hydrogen 2.882 N/A SER 27.A OG ASP 29.A OD1 no hydrogen 2.588 N/A GLY 30.A N SER 27.A O no hydrogen 2.958 N/A ARG 31.A N ASP 29.A OD1 no hydrogen 2.973 N/A ARG 31.A NE ASP 52.A OD1 no hydrogen 2.909 N/A ARG 31.A NE ASP 52.A OD2 no hydrogen 3.390 N/A ARG 31.A NH2 ASP 52.A OD2 no hydrogen 2.811 N/A PHE 32.A N SER 27.A OG no hydrogen 3.041 N/A LEU 33.A N LEU 51.A O no hydrogen 2.912 N/A LYS 34.A N GLY 25.A O no hydrogen 2.960 N/A LYS 34.A NZ GLU 63.A OE1 no hydrogen 2.630 N/A LYS 34.A NZ GLU 63.A OE2 no hydrogen 3.292 N/A PHE 35.A N LYS 49.A O no hydrogen 2.954 N/A ILE 39.A N VAL 47.A O no hydrogen 2.693 N/A GLY 40.A N VAL 47.A O no hydrogen 3.313 N/A ARG 41.A NE GLU 38.A OE2 no hydrogen 2.780 N/A ARG 41.A NH2 GLU 38.A OE2 no hydrogen 2.836 N/A GLY 42.A N LYS 45.A O no hydrogen 2.864 N/A THR 46.A N GLU 63.A O no hydrogen 3.083 N/A VAL 47.A N GLY 40.A O no hydrogen 2.833 N/A TYR 48.A N TRP 61.A O no hydrogen 2.797 N/A LYS 49.A N ILE 37.A O no hydrogen 2.881 N/A LYS 49.A NZ GLU 58.A OE1 no hydrogen 3.540 N/A GLY 50.A N VAL 59.A O no hydrogen 2.801 N/A LEU 51.A N LEU 33.A O no hydrogen 2.973 N/A ASP 52.A N VAL 57.A O no hydrogen 2.974 N/A THR 53.A N ARG 31.A O no hydrogen 2.702 N/A THR 53.A OG1 GLY 30.A O no hydrogen 2.992 N/A THR 53.A OG1 ARG 31.A O no hydrogen 2.727 N/A GLU 54.A N ASP 52.A OD1 no hydrogen 2.982 N/A THR 55.A OG1 ASP 52.A OD2 no hydrogen 3.293 N/A THR 56.A N ASP 52.A O no hydrogen 2.632 N/A VAL 59.A N GLY 50.A O no hydrogen 2.927 N/A ALA 60.A N THR 113.A O no hydrogen 2.828 N/A TRP 61.A N TYR 48.A O no hydrogen 2.894 N/A TRP 61.A NE1 GLU 63.A OE1 no hydrogen 2.933 N/A CYS 62.A N LEU 111.A O no hydrogen 2.855 N/A GLU 63.A N THR 46.A O no hydrogen 2.836 N/A LEU 64.A N ILE 109.A O no hydrogen 2.786 N/A GLN 65.A N PHE 44.A O no hydrogen 2.847 N/A ASP 66.A N LYS 107.A O no hydrogen 3.365 N/A LYS 68.A N GLN 65.A O no hydrogen 3.101 N/A LYS 68.A NZ SER 43.A O no hydrogen 2.813 N/A LYS 68.A NZ GLN 65.A OE1 no hydrogen 2.820 N/A LEU 69.A N ASP 66.A O no hydrogen 3.053 N/A THR 70.A N GLU 73.A OE1 no hydrogen 2.910 N/A GLU 73.A N THR 70.A OG1 no hydrogen 3.280 N/A ARG 74.A N THR 70.A O no hydrogen 2.992 N/A ARG 74.A NH1 ASP 66.A O no hydrogen 2.971 N/A GLN 75.A N LYS 71.A O no hydrogen 3.118 N/A GLN 75.A NE2 GLU 79.A OE1 no hydrogen 2.851 N/A ARG 76.A N SER 72.A O no hydrogen 2.886 N/A PHE 77.A N GLU 73.A O no hydrogen 2.854 N/A LYS 78.A N ARG 74.A O no hydrogen 3.225 N/A GLU 79.A N GLN 75.A O no hydrogen 3.131 N/A GLU 80.A N ARG 76.A O no hydrogen 2.872 N/A ALA 81.A N PHE 77.A O no hydrogen 2.872 N/A GLU 82.A N LYS 78.A O no hydrogen 3.296 N/A MSE 83.A N GLU 79.A O no hydrogen 3.408 N/A LEU 84.A N GLU 80.A O no hydrogen 2.784 N/A LYS 85.A N ALA 81.A O no hydrogen 3.108 N/A LYS 85.A NZ ASP 97.A OD1 no hydrogen 3.322 N/A GLY 86.A N MSE 83.A O no hydrogen 3.222 N/A LEU 87.A N LEU 84.A O no hydrogen 3.075 N/A ASN 91.A N HIS 89.A ND1 no hydrogen 2.859 N/A ILE 92.A N HIS 89.A O no hydrogen 3.168 N/A VAL 93.A N ILE 178.A O no hydrogen 2.866 N/A ARG 94.A N GLU 114.A OE1 no hydrogen 2.936 N/A TYR 96.A N VAL 112.A O no hydrogen 2.806 N/A SER 98.A N ASP 97.A OD1 no hydrogen 2.829 N/A SER 98.A OG VAL 110.A O no hydrogen 2.823 N/A TRP 99.A N VAL 110.A O no hydrogen 3.128 N/A SER 101.A N CYS 108.A O no hydrogen 2.980 N/A VAL 103.A N LYS 106.A O no hydrogen 3.025 N/A LYS 106.A N VAL 103.A O no hydrogen 2.981 N/A LYS 107.A NZ GLU 100.A OE1 no hydrogen 3.252 N/A CYS 108.A N SER 101.A O no hydrogen 2.889 N/A ILE 109.A N LEU 64.A O no hydrogen 2.936 N/A VAL 110.A N TRP 99.A O no hydrogen 2.773 N/A LEU 111.A N CYS 62.A O no hydrogen 2.784 N/A VAL 112.A N ASP 97.A O no hydrogen 2.874 N/A THR 113.A N ALA 60.A O no hydrogen 2.983 N/A GLU 114.A N ARG 94.A O no hydrogen 2.951 N/A THR 120.A N THR 123.A OG1 no hydrogen 2.839 N/A LEU 121.A N ILE 167.A O no hydrogen 2.937 N/A LYS 122.A N CYS 164.A O no hydrogen 3.279 N/A THR 123.A N THR 120.A OG1 no hydrogen 3.176 N/A THR 123.A OG1 THR 120.A O no hydrogen 3.116 N/A TYR 124.A N THR 120.A O no hydrogen 2.892 N/A LEU 125.A N LEU 121.A O no hydrogen 3.016 N/A LYS 126.A N LYS 122.A O no hydrogen 3.083 N/A ARG 127.A N THR 123.A O no hydrogen 2.971 N/A PHE 128.A N TYR 124.A O no hydrogen 2.822 N/A LYS 129.A N LEU 125.A O no hydrogen 2.841 N/A VAL 130.A N PHE 128.A O no hydrogen 2.812 N/A VAL 135.A N LYS 132.A O no hydrogen 2.937 N/A LEU 136.A N LYS 132.A O no hydrogen 2.929 N/A ARG 137.A N ILE 133.A O no hydrogen 2.835 N/A ARG 137.A NE PHE 290.A O no hydrogen 2.929 N/A SER 138.A N LYS 134.A O no hydrogen 3.121 N/A TRP 139.A N VAL 135.A O no hydrogen 2.872 N/A TRP 139.A NE1 GLY 174.A O no hydrogen 2.964 N/A CYS 140.A N LEU 136.A O no hydrogen 2.799 N/A ARG 141.A N ARG 137.A O no hydrogen 2.991 N/A ARG 141.A NE PHE 291.A O no hydrogen 2.821 N/A ARG 141.A NH2 PHE 291.A O no hydrogen 2.958 N/A GLN 142.A N SER 138.A O no hydrogen 3.117 N/A ILE 143.A N TRP 139.A O no hydrogen 2.962 N/A LEU 144.A N CYS 140.A O no hydrogen 2.999 N/A LYS 145.A N ARG 141.A O no hydrogen 2.928 N/A GLY 146.A N GLN 142.A O no hydrogen 2.909 N/A LEU 147.A N ILE 143.A O no hydrogen 2.889 N/A GLN 148.A N LEU 144.A O no hydrogen 2.776 N/A PHE 149.A N LYS 145.A O no hydrogen 2.944 N/A LEU 150.A N GLY 146.A O no hydrogen 3.073 N/A HIS 151.A N LEU 147.A O no hydrogen 2.815 N/A HIS 151.A NE2 ASP 216.A OD2 no hydrogen 2.757 N/A THR 152.A N GLN 148.A O no hydrogen 2.991 N/A THR 152.A N PHE 149.A O no hydrogen 3.218 N/A THR 152.A OG1 GLN 148.A O no hydrogen 2.760 N/A THR 152.A OG1 PHE 149.A O no hydrogen 3.129 N/A ARG 153.A N LEU 150.A O no hydrogen 3.225 N/A ARG 153.A NE PHE 149.A O no hydrogen 2.795 N/A ARG 153.A NH2 THR 152.A OG1 no hydrogen 3.015 N/A ILE 157.A N LEU 150.A O no hydrogen 2.854 N/A HIS 159.A N ASP 216.A OD2 no hydrogen 2.817 N/A HIS 159.A NE2 GLY 179.A O no hydrogen 2.859 N/A ARG 160.A N ASP 216.A OD1 no hydrogen 2.861 N/A ARG 160.A NE ILE 158.A O no hydrogen 3.255 N/A ARG 160.A NE HIS 159.A O no hydrogen 3.104 N/A ARG 160.A NH1 GLU 80.A OE2 no hydrogen 3.102 N/A ARG 160.A NH1 THR 185.A OG1 no hydrogen 3.373 N/A ARG 160.A NH2 GLU 80.A OE1 no hydrogen 3.132 N/A ARG 160.A NH2 GLU 80.A OE2 no hydrogen 3.417 N/A ARG 160.A NH2 LEU 181.A O no hydrogen 3.242 N/A ASP 161.A N HIS 159.A ND1 no hydrogen 3.111 N/A LYS 163.A N ASN 166.A OD1 no hydrogen 2.908 N/A LYS 163.A NZ ASP 161.A OD1 no hydrogen 3.075 N/A LYS 163.A NZ ASP 161.A OD2 no hydrogen 3.101 N/A CYS 164.A SG CYS 223.A O no hydrogen 3.923 N/A ASN 166.A N LYS 163.A O no hydrogen 3.017 N/A ASN 166.A ND2 ASP 161.A O no hydrogen 2.774 N/A ILE 167.A N CYS 164.A O no hydrogen 3.458 N/A PHE 168.A N LYS 177.A O no hydrogen 2.802 N/A ILE 169.A N GLY 119.A O no hydrogen 3.099 N/A THR 170.A N SER 175.A O no hydrogen 2.899 N/A THR 170.A OG1 SER 175.A O no hydrogen 3.554 N/A GLY 174.A N GLY 171.A O no hydrogen 2.827 N/A SER 175.A N THR 170.A OG1 no hydrogen 2.921 N/A VAL 176.A N GLN 142.A OE1 no hydrogen 2.862 N/A LYS 177.A N PHE 168.A O no hydrogen 2.740 N/A LYS 177.A NZ PRO 90.A O no hydrogen 2.938 N/A ILE 178.A N ASN 91.A O no hydrogen 2.767 N/A GLY 179.A N ASN 166.A O no hydrogen 2.866 N/A ALA 184.A N ASP 180.A O no hydrogen 3.290 N/A THR 185.A N GLY 182.A O no hydrogen 3.012 N/A THR 185.A OG1 GLU 80.A OE2 no hydrogen 3.053 N/A LEU 186.A N LEU 183.A O no hydrogen 2.844 N/A LYS 187.A N ALA 184.A O no hydrogen 3.122 N/A LYS 187.A NZ ASP 161.A OD1 no hydrogen 2.980 N/A ARG 188.A NE GLU 73.A OE2 no hydrogen 2.666 N/A ARG 188.A NH2 LYS 68.A O no hydrogen 2.991 N/A ARG 188.A NH2 GLU 73.A OE1 no hydrogen 2.841 N/A ARG 188.A NH2 GLU 73.A OE2 no hydrogen 3.523 N/A SER 190.A N GLU 209.A OE2 no hydrogen 2.915 N/A SER 190.A OG GLU 209.A OE2 no hydrogen 2.611 N/A PHE 191.A N ARG 188.A O no hydrogen 3.033 N/A LYS 193.A NZ LYS 187.A O no hydrogen 2.908 N/A LYS 193.A NZ ARG 188.A O no hydrogen 3.198 N/A GLU 205.A N GLU 205.A OE1 no hydrogen 2.682 N/A MSE 206.A N ALA 203.A O no hydrogen 2.923 N/A GLU 208.A N GLU 205.A O no hydrogen 3.126 N/A GLU 209.A N MSE 206.A O no hydrogen 2.861 N/A LYS 210.A N GLU 205.A O no hydrogen 3.043 N/A GLU 213.A N GLU 213.A OE1 no hydrogen 2.651 N/A SER 214.A N ASP 212.A OD1 no hydrogen 2.920 N/A SER 214.A OG ASP 212.A OD1 no hydrogen 2.505 N/A VAL 215.A N ASP 212.A O no hydrogen 2.962 N/A ASP 216.A N GLU 213.A O no hydrogen 3.017 N/A TYR 218.A N SER 214.A O no hydrogen 3.100 N/A ALA 219.A N VAL 215.A O no hydrogen 3.052 N/A PHE 220.A N ASP 216.A O no hydrogen 2.805 N/A GLY 221.A N VAL 217.A O no hydrogen 2.919 N/A MSE 222.A N TYR 218.A O no hydrogen 3.013 N/A CYS 223.A N ALA 219.A O no hydrogen 2.883 N/A CYS 223.A SG ALA 219.A O no hydrogen 3.300 N/A MSE 224.A N PHE 220.A O no hydrogen 2.839 N/A LEU 225.A N GLY 221.A O no hydrogen 2.904 N/A GLU 226.A N MSE 222.A O no hydrogen 3.042 N/A MSE 227.A N CYS 223.A O no hydrogen 2.842 N/A ALA 228.A N MSE 224.A O no hydrogen 2.856 N/A ALA 228.A N LEU 225.A O no hydrogen 3.226 N/A THR 229.A N GLU 226.A O no hydrogen 3.368 N/A THR 229.A OG1 LEU 225.A O no hydrogen 2.640 N/A SER 230.A N GLU 226.A O no hydrogen 2.790 N/A SER 230.A OG LYS 129.A O no hydrogen 2.321 N/A TYR 234.A OH VAL 251.A O no hydrogen 2.655 N/A GLU 236.A N GLU 236.A OE1 no hydrogen 2.744 N/A CYS 237.A N TYR 234.A O no hydrogen 2.863 N/A GLN 238.A N GLN 242.A OE1 no hydrogen 2.621 N/A ASN 239.A N GLN 242.A OE1 no hydrogen 3.136 N/A ALA 241.A N ASN 239.A OD1 no hydrogen 2.805 N/A GLN 242.A N ASN 239.A OD1 no hydrogen 2.969 N/A GLN 242.A NE2 GLN 238.A OE1 no hydrogen 3.131 N/A ILE 243.A N ASN 239.A O no hydrogen 3.307 N/A TYR 244.A N ALA 240.A O no hydrogen 2.910 N/A ARG 245.A N ALA 241.A O no hydrogen 2.949 N/A ARG 246.A N GLN 242.A O no hydrogen 3.197 N/A VAL 247.A N ILE 243.A O no hydrogen 2.870 N/A THR 248.A N TYR 244.A O no hydrogen 2.976 N/A THR 248.A OG1 TYR 244.A O no hydrogen 2.756 N/A SER 249.A N ARG 246.A O no hydrogen 3.094 N/A SER 249.A OG ARG 245.A O no hydrogen 2.742 N/A SER 249.A OG ARG 246.A O no hydrogen 3.417 N/A GLY 250.A N VAL 247.A O no hydrogen 3.418 N/A VAL 251.A N ARG 246.A O no hydrogen 2.795 N/A ALA 254.A N GLU 236.A OE2 no hydrogen 2.836 N/A PHE 256.A N PRO 253.A O no hydrogen 3.045 N/A ASP 257.A N ALA 254.A O no hydrogen 3.143 N/A LYS 258.A N SER 255.A O no hydrogen 2.948 N/A VAL 259.A N PHE 256.A O no hydrogen 3.260 N/A LYS 265.A N ILE 261.A O no hydrogen 2.902 N/A GLU 266.A N PRO 262.A O no hydrogen 2.846 N/A ILE 267.A N GLU 263.A O no hydrogen 3.080 N/A ILE 268.A N VAL 264.A O no hydrogen 3.073 N/A GLU 269.A N LYS 265.A O no hydrogen 2.947 N/A GLY 270.A N GLU 266.A O no hydrogen 3.013 N/A CYS 271.A N ILE 267.A O no hydrogen 3.070 N/A CYS 271.A N ILE 268.A O no hydrogen 2.996 N/A CYS 271.A SG ILE 267.A O no hydrogen 3.358 N/A ILE 272.A N ILE 268.A O no hydrogen 2.972 N/A ARG 273.A NE GLU 269.A OE2 no hydrogen 2.902 N/A ARG 273.A NH2 GLU 269.A OE1 no hydrogen 2.962 N/A ARG 273.A NH2 GLU 269.A OE2 no hydrogen 3.355 N/A LYS 276.A NZ ASP 277.A OD1 no hydrogen 2.741 N/A GLU 278.A N ASN 275.A O no hydrogen 3.081 N/A ARG 279.A N LYS 276.A O no hydrogen 3.353 N/A ARG 279.A NE ARG 273.A O no hydrogen 2.836 N/A ARG 279.A NH1 GLU 205.A OE2 no hydrogen 2.706 N/A ARG 279.A NH1 SER 214.A O no hydrogen 3.127 N/A ARG 279.A NH2 GLU 205.A OE1 no hydrogen 2.931 N/A ARG 279.A NH2 GLU 205.A OE2 no hydrogen 3.511 N/A ARG 279.A NH2 ARG 273.A O no hydrogen 3.118 N/A ARG 279.A NH2 GLN 274.A O no hydrogen 3.248 N/A TYR 280.A N GLY 270.A O no hydrogen 2.998 N/A TYR 280.A OH GLU 266.A OE1 no hydrogen 3.377 N/A TYR 280.A OH GLU 266.A OE2 no hydrogen 2.312 N/A ASP 284.A N SER 281.A OG no hydrogen 3.096 N/A LEU 285.A N SER 281.A O no hydrogen 3.018 N/A LEU 286.A N ILE 282.A O no hydrogen 2.883 N/A ASN 287.A N LYS 283.A O no hydrogen 2.972 N/A HIS 288.A N LEU 285.A O no hydrogen 2.989 N/A HIS 288.A NE2 GLU 266.A OE1 no hydrogen 2.735 N/A PHE 290.A N HIS 288.A ND1 no hydrogen 2.821 N/A PHE 291.A N HIS 288.A O no hydrogen 2.869 N/A GLN 292.A N HIS 288.A O no hydrogen 3.232 N/A GLN 292.A N ALA 289.A O no hydrogen 3.211 N/A GLN 292.A NE2 PHE 291.A O no hydrogen 3.668 N/A