Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1jkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N GLU 61.A OE2 no hydrogen 3.214 N/A PHE 3.A N GLU 83.A OE2 no hydrogen 2.872 N/A ARG 4.A N VAL 81.A O no hydrogen 3.235 N/A ARG 4.A NH1 GLU 80.A OE1 no hydrogen 2.710 N/A ARG 4.A NH2 GLU 6.A OE1 no hydrogen 2.963 N/A GLN 5.A NE2 PHE 3.A O no hydrogen 3.672 N/A GLN 5.A NE2 GLU 83.A OE2 no hydrogen 3.237 N/A ASP 9.A N ASN 7.A OD1 no hydrogen 2.782 N/A ASP 10.A N ASN 7.A O no hydrogen 2.987 N/A TYR 11.A N VAL 8.A O no hydrogen 2.954 N/A TYR 11.A OH GLU 6.A OE1 no hydrogen 3.179 N/A TYR 11.A OH GLU 6.A OE2 no hydrogen 2.674 N/A TYR 12.A N VAL 8.A O no hydrogen 2.828 N/A TYR 12.A OH HIS 79.A ND1 no hydrogen 3.340 N/A TYR 12.A OH GLU 80.A OE2 no hydrogen 2.661 N/A ASP 13.A N ARG 30.A O no hydrogen 2.989 N/A GLY 15.A N LYS 28.A O no hydrogen 2.748 N/A LEU 18.A N VAL 26.A O no hydrogen 2.727 N/A GLY 19.A N VAL 26.A O no hydrogen 3.303 N/A GLY 21.A N ALA 24.A O no hydrogen 2.582 N/A VAL 25.A N PHE 42.A O no hydrogen 3.080 N/A VAL 26.A N GLY 19.A O no hydrogen 2.785 N/A LYS 27.A N ALA 40.A O no hydrogen 2.891 N/A LYS 27.A NZ GLU 17.A OE1 no hydrogen 2.735 N/A LYS 28.A N GLU 16.A O no hydrogen 2.732 N/A LYS 28.A NZ GLU 16.A OE1 no hydrogen 3.222 N/A CYS 29.A N TYR 38.A O no hydrogen 2.888 N/A ARG 30.A N ASP 13.A O no hydrogen 2.811 N/A GLU 31.A N LEU 36.A O no hydrogen 2.892 N/A LYS 32.A N TYR 11.A O no hydrogen 2.868 N/A LYS 32.A NZ ASP 9.A O no hydrogen 2.996 N/A THR 34.A N GLU 31.A O no hydrogen 3.347 N/A THR 34.A OG1 GLU 31.A OE1 no hydrogen 2.998 N/A GLY 35.A N GLU 31.A O no hydrogen 2.804 N/A LEU 36.A N THR 34.A OG1 no hydrogen 3.233 N/A TYR 38.A N CYS 29.A O no hydrogen 2.883 N/A ALA 39.A N LEU 92.A O no hydrogen 2.774 N/A ALA 40.A N LYS 27.A O no hydrogen 2.793 N/A LYS 41.A N LEU 90.A O no hydrogen 2.751 N/A LYS 41.A NZ GLU 63.A OE2 no hydrogen 2.734 N/A PHE 42.A N VAL 25.A O no hydrogen 2.764 N/A ILE 43.A N VAL 88.A O no hydrogen 2.878 N/A LYS 44.A N PHE 23.A O no hydrogen 2.835 N/A LYS 44.A NZ ASP 87.A OD1 no hydrogen 2.884 N/A LYS 44.A NZ ASP 87.A OD2 no hydrogen 3.254 N/A LYS 45.A N THR 86.A O no hydrogen 2.820 N/A LYS 45.A NZ GLU 83.A OE1 no hydrogen 2.861 N/A LYS 45.A NZ ASN 84.A O no hydrogen 2.639 N/A ARG 46.A NE GLY 54.A O no hydrogen 3.386 N/A SER 51.A OG ARG 53.A O no hydrogen 3.174 N/A VAL 55.A N LYS 44.A O no hydrogen 2.843 N/A ARG 57.A NE GLU 61.A OE2 no hydrogen 2.998 N/A ARG 57.A NH1 GLU 83.A OE1 no hydrogen 2.648 N/A ARG 57.A NH2 THR 1.A O no hydrogen 2.730 N/A ARG 57.A NH2 GLU 83.A OE1 no hydrogen 3.091 N/A ARG 57.A NH2 GLU 83.A OE2 no hydrogen 3.270 N/A ASP 59.A N SER 56.A OG no hydrogen 3.041 N/A ILE 60.A N SER 56.A O no hydrogen 2.976 N/A GLU 61.A N ARG 57.A O no hydrogen 2.850 N/A ARG 62.A N GLU 58.A O no hydrogen 3.050 N/A ARG 62.A NH1 ASP 59.A OD1 no hydrogen 2.864 N/A ARG 62.A NH2 GLU 58.A OE2 no hydrogen 3.067 N/A GLU 63.A N ASP 59.A O no hydrogen 3.286 N/A VAL 64.A N ILE 60.A O no hydrogen 3.035 N/A SER 65.A N GLU 61.A O no hydrogen 2.881 N/A ILE 66.A N ARG 62.A O no hydrogen 3.005 N/A LEU 67.A N GLU 63.A O no hydrogen 2.954 N/A LYS 68.A N VAL 64.A O no hydrogen 2.897 N/A GLU 69.A N ILE 66.A O no hydrogen 3.089 N/A ILE 70.A N LEU 67.A O no hydrogen 3.334 N/A GLN 71.A N TYR 128.A OH no hydrogen 2.827 N/A ASN 74.A N HIS 72.A ND1 no hydrogen 2.889 N/A ASN 74.A ND2 GLN 121.A OE1 no hydrogen 3.597 N/A ASN 74.A ND2 ILE 156.A O no hydrogen 3.040 N/A VAL 75.A N HIS 72.A O no hydrogen 3.154 N/A ILE 76.A N ILE 158.A O no hydrogen 3.073 N/A THR 77.A N GLU 93.A OE1 no hydrogen 3.234 N/A THR 77.A OG1 GLU 93.A OE1 no hydrogen 3.205 N/A HIS 79.A N ILE 91.A O no hydrogen 2.760 N/A GLU 80.A N ILE 91.A O no hydrogen 3.357 N/A TYR 82.A N ILE 89.A O no hydrogen 2.859 N/A TYR 82.A OH GLU 80.A OE2 no hydrogen 3.074 N/A GLU 83.A N ARG 4.A O no hydrogen 2.862 N/A ASN 84.A N ASP 87.A O no hydrogen 2.894 N/A THR 86.A N ASN 84.A OD1 no hydrogen 2.958 N/A THR 86.A OG1 ASN 84.A OD1 no hydrogen 3.308 N/A THR 86.A OG1 ASP 87.A OD2 no hydrogen 2.913 N/A ASP 87.A N ASN 84.A OD1 no hydrogen 2.783 N/A VAL 88.A N ILE 43.A O no hydrogen 3.010 N/A ILE 89.A N TYR 82.A O no hydrogen 2.711 N/A LEU 90.A N LYS 41.A O no hydrogen 2.835 N/A ILE 91.A N GLU 80.A O no hydrogen 2.789 N/A LEU 92.A N ALA 39.A O no hydrogen 2.750 N/A GLU 93.A N THR 77.A O no hydrogen 2.917 N/A LEU 100.A N ILE 144.A O no hydrogen 2.735 N/A PHE 101.A N PRO 141.A O no hydrogen 3.243 N/A PHE 103.A N GLU 99.A O no hydrogen 3.091 N/A LEU 104.A N LEU 100.A O no hydrogen 2.904 N/A ALA 105.A N PHE 101.A O no hydrogen 3.121 N/A GLU 106.A N ASP 102.A O no hydrogen 3.124 N/A LYS 107.A N PHE 103.A O no hydrogen 3.204 N/A LYS 107.A NZ GLU 114.A OE2 no hydrogen 3.367 N/A SER 109.A N LYS 107.A O no hydrogen 2.758 N/A THR 111.A N GLU 114.A OE1 no hydrogen 3.001 N/A GLU 114.A N THR 111.A OG1 no hydrogen 3.007 N/A ALA 115.A N THR 111.A O no hydrogen 2.853 N/A THR 116.A N GLU 112.A O no hydrogen 2.718 N/A THR 116.A OG1 GLU 112.A O no hydrogen 3.053 N/A THR 116.A OG1 GLU 113.A O no hydrogen 2.858 N/A GLU 117.A N GLU 113.A O no hydrogen 2.897 N/A PHE 118.A N GLU 114.A O no hydrogen 3.282 N/A LEU 119.A N ALA 115.A O no hydrogen 2.852 N/A LYS 120.A N THR 116.A O no hydrogen 2.785 N/A GLN 121.A NE2 GLU 117.A O no hydrogen 3.227 N/A GLN 121.A NE2 PRO 154.A O no hydrogen 2.977 N/A ILE 122.A N PHE 118.A O no hydrogen 3.091 N/A LEU 123.A N LEU 119.A O no hydrogen 2.740 N/A ASN 124.A N LYS 120.A O no hydrogen 2.917 N/A GLY 125.A N GLN 121.A O no hydrogen 2.964 N/A VAL 126.A N ILE 122.A O no hydrogen 2.891 N/A TYR 127.A N LEU 123.A O no hydrogen 2.764 N/A TYR 128.A N ASN 124.A O no hydrogen 3.114 N/A LEU 129.A N GLY 125.A O no hydrogen 3.010 N/A HIS 130.A N VAL 126.A O no hydrogen 2.760 N/A SER 131.A N TYR 127.A O no hydrogen 2.952 N/A SER 131.A OG TYR 127.A O no hydrogen 2.622 N/A LEU 132.A N TYR 128.A O no hydrogen 3.305 N/A LEU 132.A N LEU 129.A O no hydrogen 2.979 N/A GLN 133.A N HIS 130.A O no hydrogen 2.867 N/A GLN 133.A NE2 ILE 167.A O no hydrogen 2.829 N/A ILE 134.A N LEU 129.A O no hydrogen 2.878 N/A ALA 135.A N HIS 165.A O no hydrogen 2.906 N/A HIS 136.A N ASP 198.A OD2 no hydrogen 2.814 N/A HIS 136.A NE2 ILE 159.A O no hydrogen 2.854 N/A PHE 137.A N ASP 198.A OD1 no hydrogen 2.862 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.008 N/A LYS 140.A NZ THR 179.A OG1 no hydrogen 2.830 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.641 N/A ASN 143.A N LYS 140.A O no hydrogen 2.868 N/A ASN 143.A ND2 ASP 160.A OD2 no hydrogen 3.485 N/A ILE 144.A N PRO 141.A O no hydrogen 3.298 N/A MET 145.A N LYS 157.A O no hydrogen 2.961 N/A LEU 146.A N GLY 98.A O no hydrogen 2.879 N/A LEU 147.A N ARG 155.A O no hydrogen 2.942 N/A ASN 150.A N ASP 148.A OD1 no hydrogen 2.884 N/A ARG 155.A NH1 LYS 153.A O no hydrogen 2.995 N/A ILE 156.A N GLN 121.A OE1 no hydrogen 2.832 N/A LYS 157.A N MET 145.A O no hydrogen 2.887 N/A LYS 157.A NZ PRO 73.A O no hydrogen 2.653 N/A ILE 158.A N ASN 74.A O no hydrogen 2.809 N/A ILE 159.A N ASN 143.A O no hydrogen 2.933 N/A GLY 162.A N ASP 160.A OD1 no hydrogen 3.071 N/A ALA 164.A N PHE 161.A O no hydrogen 3.209 N/A HIS 165.A N ALA 135.A O no hydrogen 2.931 N/A ILE 167.A N GLN 133.A O no hydrogen 2.710 N/A GLU 172.A N LEU 193.A O no hydrogen 2.626 N/A PHE 182.A N THR 179.A O no hydrogen 2.839 N/A VAL 183.A N THR 179.A O no hydrogen 3.142 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.784 N/A ILE 187.A N ALA 184.A O no hydrogen 2.924 N/A VAL 188.A N ALA 184.A O no hydrogen 3.194 N/A ASN 189.A N PRO 185.A O no hydrogen 2.825 N/A TYR 190.A N ILE 187.A O no hydrogen 3.070 N/A TYR 190.A OH GLN 278.A OE1 no hydrogen 3.176 N/A GLU 191.A N GLU 186.A O no hydrogen 2.854 N/A LEU 193.A N GLU 172.A O no hydrogen 2.728 N/A ALA 197.A N GLY 194.A O no hydrogen 3.141 N/A ASP 198.A N LEU 195.A O no hydrogen 3.089 N/A MET 199.A N GLU 196.A O no hydrogen 3.045 N/A TRP 200.A N GLU 196.A O no hydrogen 3.292 N/A SER 201.A N ALA 197.A O no hydrogen 3.207 N/A SER 201.A OG PHE 182.A O no hydrogen 2.834 N/A SER 201.A OG ALA 197.A O no hydrogen 3.339 N/A ILE 202.A N ASP 198.A O no hydrogen 2.948 N/A GLY 203.A N MET 199.A O no hydrogen 3.110 N/A VAL 204.A N TRP 200.A O no hydrogen 3.065 N/A ILE 205.A N SER 201.A O no hydrogen 2.932 N/A THR 206.A N ILE 202.A O no hydrogen 2.866 N/A THR 206.A OG1 ILE 202.A O no hydrogen 2.801 N/A TYR 207.A N GLY 203.A O no hydrogen 3.006 N/A TYR 207.A OH GLU 234.A O no hydrogen 2.641 N/A ILE 208.A N VAL 204.A O no hydrogen 3.033 N/A LEU 209.A N ILE 205.A O no hydrogen 2.860 N/A LEU 210.A N THR 206.A O no hydrogen 3.115 N/A SER 211.A N TYR 207.A O no hydrogen 3.028 N/A SER 211.A OG TYR 207.A O no hydrogen 2.827 N/A GLY 212.A N ILE 208.A O no hydrogen 2.723 N/A ALA 213.A N SER 211.A OG no hydrogen 3.059 N/A SER 214.A OG GLU 181.A OE1 no hydrogen 3.067 N/A GLY 218.A N THR 224.A OG1 no hydrogen 2.849 N/A LYS 221.A NZ PRO 277.A O no hydrogen 2.950 N/A GLU 223.A N THR 220.A OG1 no hydrogen 3.151 N/A THR 224.A N THR 220.A O no hydrogen 3.052 N/A THR 224.A OG1 THR 220.A O no hydrogen 3.213 N/A LEU 225.A N LYS 221.A O no hydrogen 2.928 N/A ALA 226.A N GLN 222.A O no hydrogen 2.905 N/A ASN 227.A N GLU 223.A O no hydrogen 2.892 N/A VAL 228.A N THR 224.A O no hydrogen 2.910 N/A SER 229.A N LEU 225.A O no hydrogen 3.024 N/A SER 229.A OG ASN 189.A OD1 no hydrogen 3.038 N/A ALA 230.A N ALA 226.A O no hydrogen 3.151 N/A VAL 231.A N VAL 228.A O no hydrogen 2.952 N/A ASN 232.A N ASN 227.A O no hydrogen 2.753 N/A ASN 232.A ND2 ASN 232.A O no hydrogen 2.758 N/A TYR 233.A N VAL 231.A O no hydrogen 3.189 N/A TYR 239.A N GLU 236.A O no hydrogen 2.962 N/A PHE 240.A N GLU 236.A O no hydrogen 2.840 N/A SER 241.A N ASP 237.A O no hydrogen 2.821 N/A ASN 242.A ND2 SER 241.A O no hydrogen 3.236 N/A THR 243.A N PHE 240.A O no hydrogen 2.913 N/A SER 244.A N GLU 112.A OE1 no hydrogen 2.496 N/A SER 244.A OG GLU 112.A OE1 no hydrogen 3.369 N/A SER 244.A OG GLU 112.A OE2 no hydrogen 2.871 N/A ALA 247.A N SER 244.A OG no hydrogen 3.156 N/A LYS 248.A N SER 244.A O no hydrogen 3.331 N/A ASP 249.A N ALA 245.A O no hydrogen 2.892 N/A PHE 250.A N LEU 246.A O no hydrogen 2.960 N/A ILE 251.A N ALA 247.A O no hydrogen 3.179 N/A ARG 252.A N LYS 248.A O no hydrogen 2.794 N/A ARG 253.A N ASP 249.A O no hydrogen 3.069 N/A ARG 253.A NE ASP 249.A OD1 no hydrogen 2.708 N/A ARG 253.A NE ASP 249.A OD2 no hydrogen 3.429 N/A ARG 253.A NH2 ASP 249.A OD2 no hydrogen 3.105 N/A LEU 254.A N ILE 251.A O no hydrogen 2.932 N/A LEU 255.A N ILE 251.A O no hydrogen 2.990 N/A LYS 257.A NZ SER 229.A O no hydrogen 2.853 N/A LYS 260.A N ASP 258.A OD1 no hydrogen 2.994 N/A LYS 261.A N ASP 258.A O no hydrogen 2.983 N/A LYS 261.A NZ ASP 258.A OD2 no hydrogen 2.894 N/A ARG 262.A N PRO 259.A O no hydrogen 3.385 N/A ARG 262.A NE VAL 256.A O no hydrogen 2.957 N/A ARG 262.A NH1 GLU 186.A OE2 no hydrogen 2.859 N/A ARG 262.A NH1 GLU 196.A O no hydrogen 2.865 N/A ARG 262.A NH2 GLU 186.A OE1 no hydrogen 3.005 N/A ARG 262.A NH2 VAL 256.A O no hydrogen 2.831 N/A MET 263.A N ARG 253.A O no hydrogen 3.042 N/A THR 264.A N ASP 267.A OD2 no hydrogen 2.922 N/A ASP 267.A N THR 264.A OG1 no hydrogen 3.124 N/A SER 268.A N THR 264.A O no hydrogen 2.979 N/A SER 268.A OG ILE 265.A O no hydrogen 2.676 N/A LEU 269.A N ILE 265.A O no hydrogen 3.237 N/A LEU 269.A N GLN 266.A O no hydrogen 3.232 N/A GLN 270.A N GLN 266.A O no hydrogen 3.278 N/A GLN 270.A N ASP 267.A O no hydrogen 3.025 N/A HIS 271.A NE2 ASP 249.A OD1 no hydrogen 2.700 N/A TRP 273.A N HIS 271.A ND1 no hydrogen 2.972 N/A TRP 273.A NE1 GLU 112.A OE2 no hydrogen 3.176 N/A ILE 274.A N HIS 271.A O no hydrogen 2.827 N/A LYS 275.A N HIS 271.A O no hydrogen 2.797 N/A