Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xms_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 1.A O no hydrogen 2.770 N/A GLN 5.A N ASP 1.A O no hydrogen 2.786 N/A LYS 6.A N GLU 2.A O no hydrogen 2.880 N/A ALA 7.A N ASN 3.A O no hydrogen 2.948 N/A LEU 8.A N LYS 4.A O no hydrogen 2.848 N/A ALA 9.A N GLN 5.A O no hydrogen 2.878 N/A ALA 10.A N LYS 6.A O no hydrogen 2.973 N/A ALA 11.A N ALA 7.A O no hydrogen 2.943 N/A LEU 12.A N LEU 8.A O no hydrogen 2.800 N/A GLY 13.A N ALA 9.A O no hydrogen 2.826 N/A GLN 14.A N ALA 10.A O no hydrogen 2.759 N/A ILE 15.A N ALA 11.A O no hydrogen 2.945 N/A GLU 16.A N LEU 12.A O no hydrogen 2.858 N/A LYS 17.A N GLY 13.A O no hydrogen 2.857 N/A LYS 17.A NZ GLN 14.A OE1 no hydrogen 2.715 N/A GLN 18.A N GLN 14.A O no hydrogen 2.969 N/A PHE 19.A N ILE 15.A O no hydrogen 2.878 N/A GLY 20.A N GLU 16.A O no hydrogen 2.649 N/A LYS 21.A NZ GLU 16.A OE1 no hydrogen 3.467 N/A LYS 21.A NZ GLU 16.A OE2 no hydrogen 3.066 N/A SER 23.A N GLY 20.A O no hydrogen 3.104 N/A SER 23.A OG GLY 20.A O no hydrogen 2.707 N/A ARG 26.A N GLU 29.A OE2 no hydrogen 3.231 N/A GLU 29.A N ARG 26.A O no hydrogen 3.155 N/A SER 32.A OG MET 33.A O no hydrogen 3.261 N/A SER 32.A OG GLY 50.A O no hydrogen 3.555 N/A MET 33.A N ILE 223.A O no hydrogen 2.960 N/A ILE 38.A N LEU 54.A O no hydrogen 2.985 N/A SER 39.A OG ASP 46.A OD2 no hydrogen 2.633 N/A THR 40.A N ASP 46.A OD1 no hydrogen 2.899 N/A THR 40.A OG1 ASP 46.A OD1 no hydrogen 2.804 N/A GLY 41.A N SER 39.A OG no hydrogen 3.003 N/A SER 42.A N THR 40.A OG1 no hydrogen 3.246 N/A SER 42.A OG GLU 245.A OE2 no hydrogen 2.671 N/A LEU 43.A N GLU 245.A OE1 no hydrogen 2.946 N/A SER 44.A N GLU 245.A OE2 no hydrogen 2.983 N/A SER 44.A OG GLU 231.A O no hydrogen 3.306 N/A SER 44.A OG GLU 245.A OE2 no hydrogen 2.688 N/A LEU 45.A N SER 42.A OG no hydrogen 3.154 N/A ASP 46.A N SER 42.A O no hydrogen 2.958 N/A ILE 47.A N LEU 43.A O no hydrogen 3.129 N/A ALA 48.A N SER 44.A O no hydrogen 2.866 N/A LEU 49.A N LEU 45.A O no hydrogen 2.838 N/A GLY 50.A N ILE 47.A O no hydrogen 2.753 N/A LEU 54.A N ILE 38.A O no hydrogen 2.994 N/A MET 56.A N GLU 36.A O no hydrogen 3.046 N/A ARG 58.A NH1 SER 192.A OG no hydrogen 2.995 N/A VAL 60.A N LEU 177.A O no hydrogen 2.735 N/A GLU 61.A N VAL 193.A O no hydrogen 2.942 N/A ILE 62.A N PHE 179.A O no hydrogen 2.943 N/A TYR 63.A N LEU 195.A O no hydrogen 2.924 N/A GLY 64.A N ASN 181.A O no hydrogen 3.281 N/A SER 68.A N PRO 65.A O no hydrogen 3.315 N/A SER 68.A OG PRO 65.A O no hydrogen 2.814 N/A SER 68.A OG ILE 197.A O no hydrogen 3.565 N/A LYS 70.A NZ GLY 64.A O no hydrogen 3.236 N/A LYS 70.A NZ PRO 65.A O no hydrogen 2.956 N/A THR 71.A OG1 ASP 142.A OD2 no hydrogen 2.883 N/A THR 72.A OG1 TYR 101.A OH no hydrogen 2.825 N/A LEU 73.A N GLY 69.A O no hydrogen 3.039 N/A THR 74.A N LYS 70.A O no hydrogen 3.083 N/A THR 74.A OG1 THR 71.A O no hydrogen 2.772 N/A LEU 75.A N THR 71.A O no hydrogen 2.783 N/A GLN 76.A N THR 72.A O no hydrogen 2.955 N/A VAL 77.A N LEU 73.A O no hydrogen 3.035 N/A ILE 78.A N THR 74.A O no hydrogen 2.944 N/A ALA 79.A N LEU 75.A O no hydrogen 2.975 N/A ALA 80.A N GLN 76.A O no hydrogen 3.016 N/A ALA 81.A N VAL 77.A O no hydrogen 2.941 N/A GLN 82.A N ILE 78.A O no hydrogen 2.773 N/A GLN 82.A NE2 ASP 108.A O no hydrogen 3.113 N/A ARG 83.A N ALA 79.A O no hydrogen 2.853 N/A GLU 84.A N ALA 81.A O no hydrogen 2.994 N/A GLY 85.A N GLN 82.A O no hydrogen 2.959 N/A LYS 86.A N ALA 81.A O no hydrogen 3.051 N/A THR 87.A N ASP 137.A OD2 no hydrogen 2.715 N/A CYS 88.A SG ILE 78.A O no hydrogen 3.979 N/A CYS 88.A SG LYS 86.A O no hydrogen 3.977 N/A ALA 89.A N VAL 138.A O no hydrogen 2.742 N/A PHE 90.A N LEU 113.A O no hydrogen 2.812 N/A ILE 91.A N VAL 140.A O no hydrogen 2.782 N/A ASP 92.A N SER 115.A O no hydrogen 2.695 N/A ALA 93.A N ASP 142.A O no hydrogen 2.737 N/A GLU 94.A N ASP 92.A OD1 no hydrogen 2.720 N/A HIS 95.A N ASP 92.A OD1 no hydrogen 2.668 N/A HIS 95.A N ASP 92.A OD2 no hydrogen 3.054 N/A TYR 101.A N ASP 98.A OD1 no hydrogen 3.024 N/A TYR 101.A OH THR 72.A OG1 no hydrogen 2.825 N/A ALA 102.A N ASP 98.A O no hydrogen 2.932 N/A ARG 103.A N PRO 99.A O no hydrogen 2.919 N/A LYS 104.A N ILE 100.A O no hydrogen 3.188 N/A LEU 105.A N TYR 101.A O no hydrogen 3.152 N/A LEU 105.A N ALA 102.A O no hydrogen 3.071 N/A GLY 106.A N ARG 103.A O no hydrogen 2.815 N/A VAL 107.A N ALA 102.A O no hydrogen 2.942 N/A ASP 108.A N GLN 82.A OE1 no hydrogen 2.640 N/A ASN 111.A ND2 ASP 108.A OD2 no hydrogen 2.632 N/A LEU 112.A N ILE 109.A O no hydrogen 2.964 N/A LEU 113.A N CYS 88.A O no hydrogen 3.009 N/A CYS 114.A SG PHE 90.A O no hydrogen 3.714 N/A SER 115.A N PHE 90.A O no hydrogen 2.926 N/A ASP 118.A N GLN 122.A OE1 no hydrogen 2.699 N/A GLY 120.A N THR 148.A O no hydrogen 2.926 N/A GLN 122.A N THR 119.A OG1 no hydrogen 3.090 N/A GLN 122.A NE2 ASP 118.A OD2 no hydrogen 3.170 N/A ALA 123.A N THR 119.A O no hydrogen 3.009 N/A LEU 124.A N GLY 120.A O no hydrogen 3.039 N/A GLU 125.A N GLU 121.A O no hydrogen 2.911 N/A ILE 126.A N GLN 122.A O no hydrogen 2.903 N/A CYS 127.A N ALA 123.A O no hydrogen 2.926 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.438 N/A ASP 128.A N LEU 124.A O no hydrogen 3.038 N/A ALA 129.A N GLU 125.A O no hydrogen 2.987 N/A LEU 130.A N ILE 126.A O no hydrogen 2.962 N/A ALA 131.A N CYS 127.A O no hydrogen 2.876 N/A ARG 132.A N ASP 128.A O no hydrogen 2.781 N/A ARG 132.A NE ASP 128.A OD2 no hydrogen 2.827 N/A ARG 132.A NH2 ASP 128.A OD2 no hydrogen 3.351 N/A SER 133.A N LEU 130.A O no hydrogen 3.413 N/A SER 133.A OG LEU 130.A O no hydrogen 2.801 N/A GLY 134.A N ALA 131.A O no hydrogen 3.347 N/A ALA 135.A N SER 133.A OG no hydrogen 2.961 N/A ASP 137.A N THR 87.A O no hydrogen 2.947 N/A VAL 138.A N THR 87.A O no hydrogen 3.260 N/A ILE 139.A N LEU 176.A O no hydrogen 2.846 N/A VAL 140.A N ALA 89.A O no hydrogen 2.921 N/A VAL 141.A N ILE 178.A O no hydrogen 2.765 N/A ASP 142.A N ILE 91.A O no hydrogen 2.913 N/A SER 143.A OG GLU 94.A OE2 no hydrogen 2.891 N/A VAL 144.A N ILE 180.A O no hydrogen 2.782 N/A ALA 146.A N SER 143.A O no hydrogen 3.316 N/A LEU 147.A N VAL 144.A O no hydrogen 2.913 N/A THR 148.A N ALA 146.A O no hydrogen 3.012 N/A LYS 150.A N GLU 121.A OE1 no hydrogen 2.784 N/A LYS 150.A NZ GLU 154.A OE1 no hydrogen 2.562 N/A LYS 150.A NZ GLU 154.A OE2 no hydrogen 3.028 N/A ILE 153.A N PRO 149.A O no hydrogen 3.174 N/A ILE 153.A N LYS 150.A O no hydrogen 2.786 N/A GLU 154.A N LYS 150.A O no hydrogen 2.988 N/A MET 159.A N ALA 155.A O no hydrogen 3.316 N/A GLN 161.A N ARG 157.A O no hydrogen 3.246 N/A GLN 161.A N MET 158.A O no hydrogen 3.295 N/A GLN 161.A NE2 ARG 157.A O no hydrogen 2.727 N/A LYS 165.A NZ ASP 128.A OD1 no hydrogen 3.543 N/A LYS 165.A NZ ASP 128.A OD2 no hydrogen 2.533 N/A LEU 166.A N ALA 162.A O no hydrogen 2.939 N/A ALA 167.A N MET 163.A O no hydrogen 2.994 N/A GLY 168.A N ARG 164.A O no hydrogen 3.168 N/A ASN 169.A N LYS 165.A O no hydrogen 3.094 N/A ASN 169.A ND2 ASP 128.A OD1 no hydrogen 2.714 N/A LEU 170.A N LEU 166.A O no hydrogen 2.885 N/A LYS 171.A N ALA 167.A O no hydrogen 3.011 N/A GLN 172.A N GLY 168.A O no hydrogen 3.037 N/A SER 173.A N ASN 169.A O no hydrogen 3.109 N/A SER 173.A N LEU 170.A O no hydrogen 3.231 N/A SER 173.A OG ALA 131.A O no hydrogen 2.648 N/A SER 173.A OG ASN 169.A O no hydrogen 2.985 N/A ASN 174.A N LYS 171.A O no hydrogen 3.125 N/A ASN 174.A ND2 GLU 36.A OE1 no hydrogen 3.265 N/A THR 175.A N LEU 170.A O no hydrogen 2.904 N/A THR 175.A OG1 VAL 136.A O no hydrogen 2.809 N/A LEU 176.A N ASP 137.A O no hydrogen 2.831 N/A LEU 177.A N ARG 58.A O no hydrogen 3.091 N/A ILE 178.A N ILE 139.A O no hydrogen 2.825 N/A PHE 179.A N VAL 60.A O no hydrogen 2.741 N/A ILE 180.A N VAL 141.A O no hydrogen 2.879 N/A ASN 181.A N ILE 62.A O no hydrogen 2.820 N/A ASN 181.A ND2 GLU 61.A OE2 no hydrogen 3.195 N/A ILE 183.A N GLY 64.A O no hydrogen 3.094 N/A GLY 184.A N ALA 156.A O no hydrogen 3.217 N/A TYR 190.A N ALA 186.A O no hydrogen 3.019 N/A ALA 191.A N LEU 187.A O no hydrogen 2.946 N/A SER 192.A N ILE 59.A O no hydrogen 2.870 N/A ARG 194.A N LYS 220.A O no hydrogen 3.001 N/A ARG 194.A NE GLU 61.A OE1 no hydrogen 2.691 N/A ARG 194.A NH2 GLU 61.A OE1 no hydrogen 3.008 N/A LEU 195.A N GLU 61.A O no hydrogen 2.786 N/A ASP 196.A N LYS 217.A O no hydrogen 2.892 N/A ILE 197.A N TYR 63.A O no hydrogen 2.958 N/A ARG 198.A N ARG 215.A O no hydrogen 3.123 N/A ARG 198.A NE ASP 196.A OD1 no hydrogen 2.811 N/A ARG 198.A NH2 ASP 196.A OD1 no hydrogen 2.915 N/A ARG 198.A NH2 ASP 196.A OD2 no hydrogen 3.527 N/A ARG 199.A NE SER 212.A OG no hydrogen 3.340 N/A ILE 200.A N GLU 213.A O no hydrogen 2.792 N/A VAL 203.A N GLY 211.A O no hydrogen 2.858 N/A GLU 205.A N ASN 208.A O no hydrogen 3.120 N/A VAL 210.A N VAL 203.A O no hydrogen 2.742 N/A GLY 211.A N VAL 203.A O no hydrogen 3.376 N/A SER 212.A N ILE 234.A O no hydrogen 2.944 N/A GLU 213.A N GLY 201.A O no hydrogen 3.001 N/A THR 214.A N PHE 232.A O no hydrogen 2.776 N/A THR 214.A OG1 SER 212.A O no hydrogen 3.326 N/A ARG 215.A N ARG 198.A O no hydrogen 3.054 N/A VAL 216.A N ALA 230.A O no hydrogen 2.868 N/A LYS 217.A N ASP 196.A O no hydrogen 2.802 N/A VAL 218.A N LYS 228.A O no hydrogen 3.092 N/A LYS 220.A N ARG 194.A O no hydrogen 3.424 N/A LYS 220.A NZ LYS 188.A O no hydrogen 2.968 N/A LYS 220.A NZ ALA 191.A O no hydrogen 2.709 N/A ASN 221.A ND2 LEU 49.A O no hydrogen 3.096 N/A ASN 221.A ND2 ALA 225.A O no hydrogen 3.687 N/A LYS 222.A N SER 192.A O no hydrogen 2.776 N/A ILE 223.A N ASN 221.A OD1 no hydrogen 3.045 N/A ALA 224.A N ASN 221.A OD1 no hydrogen 3.204 N/A PHE 227.A N VAL 218.A O no hydrogen 2.747 N/A ALA 230.A N VAL 216.A O no hydrogen 2.874 N/A PHE 232.A N THR 214.A O no hydrogen 3.034 N/A GLN 233.A NE2 GLU 213.A OE1 no hydrogen 3.521 N/A ILE 234.A N SER 212.A O no hydrogen 2.971 N/A LEU 235.A N GLY 239.A O no hydrogen 2.859 N/A TYR 236.A N VAL 210.A O no hydrogen 2.827 N/A GLU 238.A N LEU 235.A O no hydrogen 2.894 N/A GLY 239.A N LEU 235.A O no hydrogen 2.915 N/A ASN 241.A N GLN 233.A O no hydrogen 2.842 N/A ASN 241.A ND2 GLN 233.A OE1 no hydrogen 2.966 N/A PHE 242.A N ILE 240.A O no hydrogen 2.799 N/A GLY 244.A N ASN 241.A OD1 no hydrogen 2.825 N/A GLU 245.A N ASN 241.A O no hydrogen 3.337 N/A LEU 246.A N PHE 242.A O no hydrogen 3.001 N/A VAL 247.A N TYR 243.A O no hydrogen 2.948 N/A ASP 248.A N GLY 244.A O no hydrogen 3.404 N/A LEU 249.A N GLU 245.A O no hydrogen 2.871 N/A GLY 250.A N LEU 246.A O no hydrogen 2.847 N/A VAL 251.A N VAL 247.A O no hydrogen 3.103 N/A LYS 252.A N ASP 248.A O no hydrogen 2.873 N/A GLU 253.A N LEU 249.A O no hydrogen 3.008 N/A LYS 254.A N VAL 251.A O no hydrogen 2.544 N/A LEU 255.A N GLY 250.A O no hydrogen 2.716 N/A ILE 256.A N GLY 250.A O no hydrogen 3.152 N/A GLU 257.A N SER 264.A O no hydrogen 2.879 N/A ALA 259.A N TRP 262.A O no hydrogen 2.930 N/A TYR 263.A N GLY 271.A O no hydrogen 2.883 N/A SER 264.A N GLU 257.A O no hydrogen 2.927 N/A TYR 265.A N GLU 268.A O no hydrogen 2.987 N/A GLU 268.A N TYR 265.A O no hydrogen 3.154 N/A ILE 270.A N TYR 263.A O no hydrogen 2.757 N/A GLY 273.A N ALA 261.A O no hydrogen 2.488 N/A LYS 274.A NZ GLY 244.A O no hydrogen 3.538 N/A ASN 276.A ND2 GLN 272.A O no hydrogen 2.452 N/A ALA 277.A N GLY 273.A O no hydrogen 3.193 N/A THR 278.A N LYS 274.A O no hydrogen 3.094 N/A THR 278.A OG1 LYS 274.A O no hydrogen 2.627 N/A ALA 279.A N ALA 275.A O no hydrogen 3.086 N/A TRP 280.A N ASN 276.A O no hydrogen 2.909 N/A LEU 281.A N ALA 277.A O no hydrogen 3.227 N/A LYS 282.A N THR 278.A O no hydrogen 3.030 N/A ASP 283.A N ALA 279.A O no hydrogen 3.051 N/A ASP 283.A N TRP 280.A O no hydrogen 3.176 N/A ASN 284.A N LEU 281.A O no hydrogen 3.213 N/A ASN 284.A ND2 TRP 280.A O no hydrogen 2.795 N/A THR 287.A N ASN 284.A O no hydrogen 3.005 N/A ALA 288.A N ASN 284.A O no hydrogen 3.032 N/A LYS 289.A N PRO 285.A O no hydrogen 2.770 N/A ILE 291.A N THR 287.A O no hydrogen 3.047 N/A GLU 292.A N ALA 288.A O no hydrogen 2.784 N/A LYS 293.A N LYS 289.A O no hydrogen 2.796 N/A LYS 294.A N GLU 290.A O no hydrogen 2.883 N/A VAL 295.A N ILE 291.A O no hydrogen 2.941 N/A ARG 296.A N GLU 292.A O no hydrogen 2.959 N/A ARG 296.A NE GLU 292.A OE2 no hydrogen 3.460 N/A ARG 296.A NH1 GLY 52.A O no hydrogen 3.217 N/A ARG 296.A NH2 ASP 46.A OD2 no hydrogen 2.682 N/A GLU 297.A N LYS 293.A O no hydrogen 2.969 N/A LEU 298.A N LYS 294.A O no hydrogen 3.007 N/A LEU 299.A N VAL 295.A O no hydrogen 2.831 N/A LEU 300.A N ARG 296.A O no hydrogen 2.735 N/A