Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ps9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N THR 21.A OG1 no hydrogen 3.317 N/A ALA 1.A N ASP 50.A OD2 no hydrogen 2.589 N/A VAL 2.A N GLU 22.A O no hydrogen 2.823 N/A VAL 3.A N LEU 51.A O no hydrogen 2.692 N/A ALA 4.A N GLU 24.A O no hydrogen 2.881 N/A SER 5.A N VAL 53.A O no hydrogen 2.879 N/A SER 5.A OG GLU 60.A OE2 no hydrogen 2.365 N/A LYS 7.A NZ ASP 29.A OD1 no hydrogen 3.347 N/A LYS 7.A NZ ASP 29.A OD2 no hydrogen 3.176 N/A LYS 7.A NZ THR 237.A O no hydrogen 2.820 N/A LYS 7.A NZ ILE 239.A O no hydrogen 2.757 N/A GLY 10.A N LEU 6.A O no hydrogen 3.010 N/A PHE 11.A N LYS 7.A O no hydrogen 2.850 N/A ILE 12.A N PRO 8.A O no hydrogen 3.301 N/A ALA 13.A N VAL 9.A O no hydrogen 3.078 N/A SER 14.A N GLY 10.A O no hydrogen 2.876 N/A SER 14.A OG GLY 10.A O no hydrogen 3.020 N/A SER 14.A OG PHE 11.A O no hydrogen 3.137 N/A SER 14.A OG GLY 242.A O no hydrogen 2.889 N/A ALA 15.A N PHE 11.A O no hydrogen 3.322 N/A ALA 15.A N ILE 12.A O no hydrogen 3.259 N/A ILE 16.A N ILE 12.A O no hydrogen 3.474 N/A ALA 17.A N ALA 13.A O no hydrogen 2.953 N/A VAL 20.A N ALA 17.A O no hydrogen 2.836 N/A THR 21.A N ALA 17.A O no hydrogen 3.110 N/A THR 21.A OG1 GLU 22.A OE1 no hydrogen 3.504 N/A THR 21.A OG1 ASP 50.A OD2 no hydrogen 3.473 N/A GLU 22.A N GLU 22.A OE1 no hydrogen 2.736 N/A GLU 24.A N VAL 2.A O no hydrogen 2.947 N/A LEU 26.A N ALA 4.A O no hydrogen 2.973 N/A LEU 27.A N SER 5.A O no hydrogen 3.011 N/A ALA 31.A N PRO 28.A O no hydrogen 3.096 N/A GLU 33.A N GLU 33.A OE2 no hydrogen 2.751 N/A HIS 34.A N SER 32.A OG no hydrogen 3.281 N/A ASP 35.A N SER 32.A O no hydrogen 3.340 N/A ARG 39.A N ASP 42.A OD2 no hydrogen 3.020 N/A ARG 39.A NE ASP 42.A OD1 no hydrogen 3.326 N/A ARG 39.A NH2 ASP 42.A OD1 no hydrogen 2.777 N/A ASP 42.A N ARG 39.A O no hydrogen 2.880 N/A ARG 45.A N SER 41.A O no hydrogen 3.363 N/A ARG 45.A NE ASP 42.A OD1 no hydrogen 2.947 N/A ARG 45.A NH1 GLU 24.A OE1 no hydrogen 2.994 N/A ARG 45.A NH2 SER 41.A OG no hydrogen 3.388 N/A LEU 46.A N ASP 42.A O no hydrogen 2.918 N/A GLN 47.A N VAL 43.A O no hydrogen 3.190 N/A ASN 48.A N LYS 44.A O no hydrogen 3.043 N/A ALA 49.A N LEU 46.A O no hydrogen 3.318 N/A ASP 50.A N ALA 1.A O no hydrogen 2.704 N/A VAL 52.A N LYS 74.A O no hydrogen 2.883 N/A VAL 53.A N VAL 3.A O no hydrogen 2.791 N/A TRP 54.A N VAL 76.A O no hydrogen 2.980 N/A VAL 55.A N GLU 60.A OE2 no hydrogen 2.777 N/A GLY 56.A N GLU 60.A OE1 no hydrogen 2.996 N/A MET 59.A N GLY 56.A O no hydrogen 2.935 N/A GLU 60.A N GLY 56.A O no hydrogen 3.200 N/A GLU 60.A N GLU 60.A OE1 no hydrogen 2.858 N/A ALA 61.A N MET 59.A O no hydrogen 2.929 N/A MET 63.A N GLU 60.A O no hydrogen 3.050 N/A GLN 64.A N ALA 61.A O no hydrogen 3.506 N/A VAL 67.A N MET 63.A O no hydrogen 2.973 N/A SER 68.A N GLN 64.A O no hydrogen 3.158 N/A SER 68.A N LYS 65.A O no hydrogen 3.183 N/A SER 68.A OG LYS 65.A O no hydrogen 2.667 N/A LYS 69.A N PRO 66.A O no hydrogen 3.399 N/A LEU 70.A N VAL 67.A O no hydrogen 3.033 N/A LYS 74.A N PRO 71.A O no hydrogen 3.038 N/A LYS 74.A NZ LEU 46.A O no hydrogen 2.672 N/A LYS 74.A NZ ALA 49.A O no hydrogen 2.747 N/A GLN 75.A N GLY 72.A O no hydrogen 3.269 N/A GLN 75.A NE2 LEU 70.A O no hydrogen 3.232 N/A GLN 75.A NE2 PRO 71.A O no hydrogen 3.552 N/A VAL 76.A N VAL 52.A O no hydrogen 2.875 N/A ILE 78.A N TRP 54.A O no hydrogen 2.959 N/A ALA 79.A N VAL 55.A O no hydrogen 2.777 N/A GLN 80.A N THR 77.A O no hydrogen 3.001 N/A LEU 81.A N ILE 78.A O no hydrogen 3.156 N/A VAL 84.A N LEU 81.A O no hydrogen 2.811 N/A LYS 85.A N LEU 81.A O no hydrogen 3.079 N/A LYS 85.A NZ GLU 82.A OE2 no hydrogen 3.200 N/A LEU 87.A N VAL 84.A O no hydrogen 2.744 N/A LEU 88.A N LYS 85.A O no hydrogen 3.483 N/A MET 89.A N TYR 166.A OH no hydrogen 2.828 N/A SER 91.A OG ASP 93.A O no hydrogen 2.719 N/A ASN 95.A N MET 89.A O no hydrogen 2.737 N/A ASN 95.A ND2 ASP 162.A O no hydrogen 3.333 N/A HIS 97.A N ASN 95.A OD1 no hydrogen 3.051 N/A HIS 97.A ND1 ASN 95.A OD1 no hydrogen 2.980 N/A TRP 99.A NE1 PRO 234.A O no hydrogen 2.890 N/A LEU 100.A N HIS 97.A O no hydrogen 3.335 N/A SER 101.A N LEU 98.A O no hydrogen 2.879 N/A ILE 104.A N SER 101.A OG no hydrogen 2.968 N/A ALA 105.A N SER 101.A O no hydrogen 2.845 N/A ARG 106.A N PRO 102.A O no hydrogen 3.125 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 2.969 N/A ARG 106.A NH1 GLU 135.A OE1 no hydrogen 3.523 N/A ARG 106.A NH1 GLU 142.A OE1 no hydrogen 3.238 N/A ARG 106.A NH2 GLU 142.A OE1 no hydrogen 2.819 N/A ARG 106.A NH2 GLU 142.A OE2 no hydrogen 2.403 N/A ALA 107.A N GLU 103.A O no hydrogen 3.160 N/A THR 108.A N ILE 104.A O no hydrogen 2.883 N/A THR 108.A OG1 ILE 104.A O no hydrogen 2.808 N/A ALA 109.A N ALA 105.A O no hydrogen 3.018 N/A VAL 110.A N ARG 106.A O no hydrogen 2.939 N/A ALA 111.A N ALA 107.A O no hydrogen 3.139 N/A ILE 112.A N THR 108.A O no hydrogen 2.952 N/A HIS 113.A N ALA 109.A O no hydrogen 2.865 N/A GLY 114.A N VAL 110.A O no hydrogen 2.854 N/A LYS 115.A N ALA 111.A O no hydrogen 3.217 N/A LYS 115.A NZ GLN 75.A O no hydrogen 2.837 N/A LEU 116.A N ILE 112.A O no hydrogen 2.920 N/A VAL 117.A N HIS 113.A O no hydrogen 2.977 N/A GLU 118.A N GLY 114.A O no hydrogen 3.335 N/A LEU 119.A N LYS 115.A O no hydrogen 3.263 N/A MET 120.A N LEU 116.A O no hydrogen 2.707 N/A GLN 122.A N GLN 122.A OE1 no hydrogen 2.813 N/A SER 123.A N MET 120.A O no hydrogen 2.714 N/A ARG 124.A N PRO 121.A O no hydrogen 3.200 N/A LEU 127.A N SER 123.A O no hydrogen 2.938 N/A ASP 128.A N ARG 124.A O no hydrogen 2.789 N/A ALA 129.A N ALA 125.A O no hydrogen 3.068 N/A ASN 130.A N LYS 126.A O no hydrogen 2.794 N/A ASN 130.A ND2 ILE 16.A O no hydrogen 2.806 N/A ASN 130.A ND2 ASP 18.A O no hydrogen 2.781 N/A LEU 131.A N LEU 127.A O no hydrogen 3.045 N/A LYS 132.A N ASP 128.A O no hydrogen 3.124 N/A ASP 133.A N ALA 129.A O no hydrogen 2.749 N/A PHE 134.A N ASN 130.A O no hydrogen 2.937 N/A GLU 135.A N LEU 131.A O no hydrogen 3.028 N/A ALA 136.A N LYS 132.A O no hydrogen 3.088 N/A GLN 137.A N ASP 133.A O no hydrogen 2.975 N/A GLN 137.A NE2 LYS 243.A O no hydrogen 3.151 N/A LEU 138.A N PHE 134.A O no hydrogen 2.940 N/A ALA 139.A N GLU 135.A O no hydrogen 2.887 N/A SER 140.A N ALA 136.A O no hydrogen 3.139 N/A SER 140.A OG ALA 136.A O no hydrogen 3.148 N/A THR 141.A N GLN 137.A O no hydrogen 2.906 N/A THR 141.A OG1 GLN 137.A O no hydrogen 3.003 N/A THR 141.A OG1 SER 247.A OG no hydrogen 2.760 N/A GLU 142.A N LEU 138.A O no hydrogen 2.826 N/A THR 143.A N ALA 139.A O no hydrogen 3.188 N/A THR 143.A OG1 ALA 139.A O no hydrogen 3.017 N/A GLN 144.A N SER 140.A O no hydrogen 2.995 N/A VAL 145.A N THR 141.A O no hydrogen 2.769 N/A GLY 146.A N GLU 142.A O no hydrogen 2.892 N/A ASN 147.A N THR 143.A O no hydrogen 3.020 N/A GLU 148.A N GLN 144.A O no hydrogen 2.968 N/A LEU 149.A N VAL 145.A O no hydrogen 3.048 N/A ALA 150.A N GLY 146.A O no hydrogen 3.180 N/A LEU 152.A N LEU 149.A O no hydrogen 2.948 N/A LYS 153.A N ALA 150.A O no hydrogen 3.264 N/A GLY 154.A N THR 174.A OG1 no hydrogen 2.776 N/A LYS 155.A N LEU 152.A O no hydrogen 3.130 N/A TYR 157.A OH GLU 168.A OE2 no hydrogen 2.529 N/A PHE 158.A N CYS 206.A O no hydrogen 2.946 N/A VAL 159.A N GLY 177.A O no hydrogen 3.281 N/A HIS 161.A ND1 GLU 210.A OE1 no hydrogen 2.581 N/A ALA 163.A N HIS 161.A O no hydrogen 2.977 N/A TYR 164.A OH GLU 210.A OE2 no hydrogen 2.656 N/A TYR 166.A OH ASN 95.A O no hydrogen 2.662 N/A GLU 168.A N TYR 164.A O no hydrogen 2.916 N/A LYS 169.A N GLY 165.A O no hydrogen 3.145 N/A GLN 170.A N TYR 166.A O no hydrogen 3.227 N/A GLN 170.A NE2 GLU 142.A OE2 no hydrogen 2.924 N/A PHE 171.A N PHE 167.A O no hydrogen 3.115 N/A LEU 173.A N GLU 168.A O no hydrogen 3.133 N/A LEU 176.A N TYR 157.A O no hydrogen 2.877 N/A PHE 179.A N VAL 159.A O no hydrogen 2.935 N/A GLN 186.A NE2 ALA 216.A O no hydrogen 3.181 N/A ARG 191.A NH2 THR 180.A O no hydrogen 2.801 N/A LEU 192.A N GLY 188.A O no hydrogen 3.011 N/A HIS 193.A N ALA 189.A O no hydrogen 2.863 N/A HIS 193.A N GLN 190.A O no hydrogen 3.079 N/A GLU 194.A N GLN 190.A O no hydrogen 3.016 N/A ILE 195.A N ARG 191.A O no hydrogen 3.112 N/A ARG 196.A N LEU 192.A O no hydrogen 3.109 N/A ARG 196.A NE VAL 221.A O no hydrogen 3.275 N/A ARG 196.A NH2 SER 220.A O no hydrogen 2.736 N/A THR 197.A N HIS 193.A O no hydrogen 3.126 N/A THR 197.A OG1 HIS 193.A O no hydrogen 2.550 N/A LEU 199.A N ILE 195.A O no hydrogen 2.897 N/A VAL 200.A N ARG 196.A O no hydrogen 3.018 N/A VAL 200.A N THR 197.A O no hydrogen 3.218 N/A GLU 201.A N THR 197.A O no hydrogen 2.781 N/A GLN 202.A N GLN 198.A O no hydrogen 2.976 N/A GLN 202.A NE2 GLN 198.A OE1 no hydrogen 2.540 N/A LYS 203.A N VAL 200.A O no hydrogen 3.017 N/A ALA 204.A N LEU 199.A O no hydrogen 2.912 N/A THR 205.A N GLY 156.A O no hydrogen 2.710 N/A VAL 207.A N ARG 228.A O no hydrogen 2.965 N/A PHE 208.A N PHE 158.A O no hydrogen 2.999 N/A ALA 209.A N GLY 230.A O no hydrogen 2.670 N/A GLN 212.A N GLN 212.A OE1.B no hydrogen 2.722 N/A PHE 213.A N GLU 210.A O no hydrogen 2.694 N/A VAL 217.A N ARG 214.A O no hydrogen 2.919 N/A GLU 219.A N PRO 215.A O no hydrogen 3.183 N/A SER 220.A N ALA 216.A O no hydrogen 3.015 N/A VAL 221.A N VAL 217.A O no hydrogen 3.203 N/A ALA 222.A N VAL 218.A O no hydrogen 2.968 N/A ARG 223.A N GLU 219.A O no hydrogen 3.051 N/A THR 225.A OG1 ALA 222.A O no hydrogen 2.558 N/A VAL 227.A N THR 225.A OG1 no hydrogen 3.373 N/A ARG 228.A N THR 205.A O no hydrogen 3.006 N/A ARG 228.A NE CYS 260.A O no hydrogen 2.888 N/A ARG 228.A NH1 CYS 260.A O no hydrogen 2.865 N/A ARG 228.A NH1 GLY 263.A O no hydrogen 3.085 N/A GLY 230.A N VAL 207.A O no hydrogen 2.798 N/A LEU 232.A N ALA 209.A O no hydrogen 2.835 N/A ASP 233.A N GLN 256.A OE1 no hydrogen 3.005 N/A LEU 235.A N ASP 233.A OD1 no hydrogen 2.990 N/A GLY 236.A N ASP 233.A O no hydrogen 3.507 N/A THR 237.A N ASP 233.A OD2 no hydrogen 2.936 N/A THR 237.A OG1 ASP 233.A OD2 no hydrogen 3.159 N/A ASN 238.A ND2 GLN 252.A OE1 no hydrogen 2.528 N/A ILE 239.A N GLY 236.A O no hydrogen 2.962 N/A GLY 242.A N SER 14.A OG no hydrogen 3.236 N/A LYS 243.A NZ ASP 133.A OD2 no hydrogen 2.670 N/A THR 244.A OG1 GLU 248.A OE2 no hydrogen 2.570 N/A SER 245.A N GLY 242.A O no hydrogen 3.320 N/A SER 245.A OG GLY 242.A O no hydrogen 2.813 N/A TYR 246.A OH TRP 99.A O no hydrogen 2.739 N/A SER 247.A OG THR 141.A OG1 no hydrogen 2.760 N/A GLU 248.A N THR 244.A O no hydrogen 3.082 N/A PHE 249.A N SER 245.A O no hydrogen 3.008 N/A LEU 250.A N TYR 246.A O no hydrogen 3.090 N/A SER 251.A N SER 247.A O no hydrogen 3.114 N/A SER 251.A OG SER 247.A O no hydrogen 3.114 N/A GLN 252.A N GLU 248.A O no hydrogen 2.995 N/A LEU 253.A N PHE 249.A O no hydrogen 3.071 N/A ALA 254.A N LEU 250.A O no hydrogen 3.106 N/A ASN 255.A N SER 251.A O no hydrogen 2.930 N/A GLN 256.A N GLN 252.A O no hydrogen 2.901 N/A TYR 257.A N LEU 253.A O no hydrogen 3.058 N/A TYR 257.A OH GLU 168.A OE2 no hydrogen 3.126 N/A ALA 258.A N ALA 254.A O no hydrogen 2.979 N/A SER 259.A N ASN 255.A O no hydrogen 2.812 N/A CYS 260.A N TYR 257.A O no hydrogen 3.345 N/A LEU 261.A N TYR 257.A O no hydrogen 2.931 N/A LYS 262.A N ALA 258.A O no hydrogen 2.941 N/A