Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qis_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 ILE 8.A O no hydrogen 2.287 N/A ARG 4.A N ARG 1.A O no hydrogen 3.247 N/A LEU 5.A N ARG 1.A O no hydrogen 3.195 N/A LEU 6.A N PHE 2.A O no hydrogen 3.006 N/A ILE 8.A N THR 3.A O no hydrogen 3.271 N/A GLN 9.A N GLY 33.A O no hydrogen 3.169 N/A GLN 10.A N GLY 33.A O no hydrogen 2.712 N/A ILE 13.A N VAL 233.A O no hydrogen 2.783 N/A GLN 14.A N LEU 35.A O no hydrogen 2.905 N/A GLN 14.A NE2 ALA 15.A O no hydrogen 3.041 N/A GLN 14.A NE2 SER 37.A O no hydrogen 2.951 N/A ALA 15.A N MET 235.A O no hydrogen 3.019 N/A MET 17.A N SER 21.A OG no hydrogen 2.967 N/A VAL 20.A N MET 17.A O no hydrogen 2.701 N/A SER 21.A N MET 17.A O no hydrogen 2.774 N/A SER 21.A OG MET 17.A O no hydrogen 3.167 N/A THR 22.A OG1 GLU 244.A O no hydrogen 2.628 N/A LEU 25.A N THR 22.A OG1 no hydrogen 2.859 N/A ALA 26.A N THR 22.A O no hydrogen 2.876 N/A ALA 27.A N PRO 23.A O no hydrogen 2.820 N/A ALA 28.A N ALA 24.A O no hydrogen 3.078 N/A VAL 29.A N LEU 25.A O no hydrogen 3.101 N/A SER 30.A N ALA 26.A O no hydrogen 2.899 N/A SER 30.A OG ALA 26.A O no hydrogen 3.492 N/A SER 30.A OG PRO 62.A O no hydrogen 2.399 N/A ASN 31.A N ALA 27.A O no hydrogen 2.748 N/A ASN 31.A ND2 LEU 58.A O no hydrogen 2.801 N/A ALA 32.A N ALA 28.A O no hydrogen 3.084 N/A GLY 33.A N SER 30.A O no hydrogen 3.110 N/A GLY 34.A N VAL 29.A O no hydrogen 3.002 N/A LEU 35.A N ILE 12.A O no hydrogen 2.952 N/A GLY 36.A N SER 30.A OG no hydrogen 3.030 N/A SER 37.A N GLN 14.A OE1 no hydrogen 2.878 N/A SER 37.A OG GLN 14.A O no hydrogen 2.770 N/A ILE 38.A N ASN 64.A O no hydrogen 2.870 N/A ILE 40.A N ASN 66.A O no hydrogen 3.091 N/A LYS 47.A N ALA 44.A O no hydrogen 2.974 N/A GLY 48.A N ALA 44.A O no hydrogen 2.975 N/A ARG 49.A N ALA 45.A O no hydrogen 2.883 N/A ARG 49.A NE GLU 46.A OE1 no hydrogen 2.717 N/A ARG 49.A NH1 GLU 121.A OE1 no hydrogen 3.107 N/A ARG 49.A NH1 GLU 122.A OE2 no hydrogen 3.344 N/A ARG 49.A NH2 GLU 46.A OE1 no hydrogen 3.334 N/A ARG 49.A NH2 GLU 46.A OE2 no hydrogen 2.908 N/A ARG 49.A NH2 GLU 121.A OE2 no hydrogen 3.384 N/A ALA 50.A N GLU 46.A O no hydrogen 3.148 N/A LEU 51.A N LYS 47.A O no hydrogen 3.083 N/A ILE 52.A N GLY 48.A O no hydrogen 2.956 N/A ARG 53.A N ARG 49.A O no hydrogen 2.884 N/A ARG 53.A NE GLU 122.A OE2 no hydrogen 3.538 N/A GLU 54.A N ALA 50.A O no hydrogen 2.855 N/A VAL 55.A N LEU 51.A O no hydrogen 3.099 N/A ARG 56.A N ILE 52.A O no hydrogen 3.011 N/A ARG 56.A NH2 GLU 122.A O no hydrogen 2.902 N/A GLY 57.A N ARG 53.A O no hydrogen 2.964 N/A GLY 57.A N GLU 54.A O no hydrogen 3.130 N/A LEU 58.A N VAL 55.A O no hydrogen 2.949 N/A THR 59.A N VAL 55.A O no hydrogen 3.013 N/A THR 59.A OG1 ASN 31.A OD1 no hydrogen 2.388 N/A LYS 61.A N THR 59.A OG1 no hydrogen 3.189 N/A ASN 64.A N GLY 36.A O no hydrogen 2.695 N/A ASN 64.A ND2 SER 37.A OG no hydrogen 3.129 N/A VAL 65.A N ALA 126.A O no hydrogen 2.848 N/A ASN 66.A N ILE 38.A O no hydrogen 2.828 N/A ASN 66.A ND2 SER 128.A OG no hydrogen 3.018 N/A LEU 67.A N SER 128.A O no hydrogen 2.864 N/A PHE 68.A N THR 41.A OG1 no hydrogen 2.782 N/A CYS 69.A N HIS 130.A O no hydrogen 2.714 N/A ARG 71.A NH1 PRO 72.A O no hydrogen 3.418 N/A ARG 71.A NH1 ASP 295.A OD2 no hydrogen 2.839 N/A ARG 71.A NH2 GLU 187.A OE1 no hydrogen 2.955 N/A GLN 74.A N ASP 295.A OD2 no hydrogen 3.034 N/A ASP 76.A N GLU 80.A OE2 no hydrogen 3.035 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 3.417 N/A ARG 79.A NE ASP 76.A OD2 no hydrogen 3.190 N/A ARG 79.A NH2 ASP 295.A OD1 no hydrogen 3.506 N/A GLU 80.A N ASP 76.A O no hydrogen 2.840 N/A ARG 81.A N PRO 77.A O no hydrogen 2.831 N/A ALA 82.A N ALA 78.A O no hydrogen 3.008 N/A TRP 83.A N ARG 79.A O no hydrogen 2.876 N/A LEU 84.A N GLU 80.A O no hydrogen 2.941 N/A ASP 85.A N ARG 81.A O no hydrogen 3.089 N/A TYR 86.A N ALA 82.A O no hydrogen 3.017 N/A LEU 87.A N TRP 83.A O no hydrogen 3.048 N/A LYS 88.A N ASP 85.A O no hydrogen 3.335 N/A LEU 90.A N LEU 87.A O no hydrogen 2.692 N/A PHE 91.A N LEU 87.A O no hydrogen 3.320 N/A ALA 92.A N LYS 88.A O no hydrogen 2.939 N/A GLU 93.A N PRO 89.A O no hydrogen 3.302 N/A GLU 93.A N LEU 90.A O no hydrogen 3.124 N/A PHE 94.A N PHE 91.A O no hydrogen 2.944 N/A GLY 95.A N ALA 92.A O no hydrogen 3.016 N/A ALA 96.A N PHE 91.A O no hydrogen 2.991 N/A LYS 103.A N ASP 301.A OD2 no hydrogen 2.452 N/A ASN 104.A ND2 GLU 111.A OE2 no hydrogen 3.032 N/A SER 108.A N GLU 111.A OE1 no hydrogen 2.645 N/A SER 108.A OG HIS 70.A O no hydrogen 2.720 N/A PHE 109.A N PHE 68.A O no hydrogen 2.706 N/A LEU 110.A N SER 108.A OG no hydrogen 3.027 N/A GLU 111.A N SER 108.A O no hydrogen 3.132 N/A ASP 112.A N SER 108.A O no hydrogen 3.310 N/A THR 114.A N ASP 112.A OD1 no hydrogen 3.335 N/A LEU 115.A N ASP 112.A O no hydrogen 3.506 N/A LEU 119.A N LEU 115.A O no hydrogen 2.998 N/A LEU 120.A N LEU 116.A O no hydrogen 2.912 N/A GLU 121.A N PRO 117.A O no hydrogen 3.227 N/A GLU 122.A N MET 118.A O no hydrogen 3.034 N/A ARG 123.A N LEU 119.A O no hydrogen 2.663 N/A ARG 123.A NE LEU 120.A O no hydrogen 3.132 N/A ARG 123.A NH2 LEU 120.A O no hydrogen 3.322 N/A ALA 126.A N PHE 63.A O no hydrogen 3.127 N/A VAL 127.A N ARG 148.A O no hydrogen 2.986 N/A SER 128.A N VAL 65.A O no hydrogen 2.952 N/A SER 128.A OG ASN 64.A OD1 no hydrogen 2.711 N/A PHE 129.A N LEU 150.A O no hydrogen 2.835 N/A HIS 130.A N LEU 67.A O no hydrogen 3.016 N/A HIS 130.A NE2 HIS 180.A O no hydrogen 3.055 N/A GLN 138.A N PRO 135.A O no hydrogen 2.934 N/A VAL 139.A N PRO 135.A O no hydrogen 3.376 N/A ARG 140.A N ARG 136.A O no hydrogen 2.943 N/A ARG 140.A NH1 GLN 143.A OE1 no hydrogen 3.308 N/A ALA 141.A N ASP 137.A O no hydrogen 3.170 N/A LEU 142.A N GLN 138.A O no hydrogen 2.935 N/A GLN 143.A N VAL 139.A O no hydrogen 2.825 N/A GLN 143.A NE2 GLY 166.A O no hydrogen 2.746 N/A GLN 143.A NE2 ASP 168.A OD2 no hydrogen 2.639 N/A ALA 144.A N ARG 140.A O no hydrogen 2.707 N/A ILE 147.A N LEU 142.A O no hydrogen 3.301 N/A ARG 148.A N ALA 125.A O no hydrogen 2.895 N/A ARG 148.A NE LEU 5.A O no hydrogen 2.600 N/A ARG 148.A NH2 LEU 5.A O no hydrogen 3.404 N/A VAL 149.A N ASP 168.A OD2 no hydrogen 2.742 N/A LEU 150.A N VAL 127.A O no hydrogen 2.938 N/A VAL 151.A N ALA 169.A O no hydrogen 3.109 N/A CYS 152.A N PHE 129.A O no hydrogen 3.061 N/A CYS 152.A SG VAL 171.A O no hydrogen 3.654 N/A ALA 153.A N VAL 171.A O no hydrogen 2.893 N/A THR 154.A N GLU 158.A OE1 no hydrogen 2.507 N/A THR 154.A OG1 GLU 158.A OE1 no hydrogen 2.568 N/A THR 154.A OG1 GLU 158.A OE2 no hydrogen 3.398 N/A THR 155.A OG1 GLU 157.A OE1 no hydrogen 3.493 N/A GLU 157.A N GLU 157.A OE1 no hydrogen 2.805 N/A GLU 158.A N THR 155.A OG1 no hydrogen 3.003 N/A ALA 159.A N THR 155.A O no hydrogen 2.849 N/A ALA 160.A N PRO 156.A O no hydrogen 2.995 N/A LEU 161.A N GLU 157.A O no hydrogen 3.432 N/A VAL 162.A N GLU 158.A O no hydrogen 2.952 N/A GLU 163.A N ALA 159.A O no hydrogen 2.886 N/A ALA 164.A N ALA 160.A O no hydrogen 2.896 N/A ALA 165.A N VAL 162.A O no hydrogen 3.096 N/A GLY 166.A N GLU 163.A O no hydrogen 3.094 N/A ASP 168.A N VAL 149.A O no hydrogen 2.864 N/A ALA 169.A N VAL 149.A O no hydrogen 3.284 N/A VAL 170.A N PRO 209.A O no hydrogen 3.187 N/A VAL 171.A N VAL 151.A O no hydrogen 2.832 N/A ALA 172.A N VAL 211.A O no hydrogen 2.709 N/A GLN 173.A N ALA 153.A O no hydrogen 3.118 N/A GLN 173.A NE2 HIS 180.A O no hydrogen 2.902 N/A GLY 174.A N ALA 213.A O no hydrogen 2.852 N/A ILE 175.A N ILE 193.A O no hydrogen 2.730 N/A GLU 176.A N GLU 176.A OE1 no hydrogen 2.758 N/A ALA 177.A N GLY 174.A O no hydrogen 3.149 N/A GLY 179.A N ARG 275.A O no hydrogen 2.922 N/A HIS 180.A NE2 SER 270.A OG no hydrogen 2.560 N/A ARG 181.A N SER 273.A O no hydrogen 2.946 N/A ARG 181.A NE ASP 190.A OD2 no hydrogen 2.857 N/A ARG 181.A NH2 ASP 190.A OD1 no hydrogen 3.057 N/A GLY 182.A N GLN 173.A OE1 no hydrogen 2.762 N/A PHE 184.A N GLU 158.A OE2 no hydrogen 2.761 N/A ARG 188.A N GLU 185.A O no hydrogen 3.059 N/A GLY 189.A N PRO 186.A O no hydrogen 2.813 N/A ALA 192.A N ASP 190.A OD1 no hydrogen 3.093 N/A THR 195.A N GLU 176.A OE1 no hydrogen 2.891 N/A THR 195.A OG1 GLU 176.A OE1 no hydrogen 3.168 N/A THR 195.A OG1 GLY 214.A O no hydrogen 2.727 N/A LEU 198.A N GLY 194.A O no hydrogen 2.990 N/A VAL 199.A N THR 195.A O no hydrogen 2.931 N/A ARG 200.A NH2 LEU 228.A O no hydrogen 3.081 N/A LEU 201.A N ALA 197.A O no hydrogen 2.919 N/A LEU 202.A N LEU 198.A O no hydrogen 3.062 N/A ALA 203.A N VAL 199.A O no hydrogen 2.860 N/A ALA 204.A N ARG 200.A O no hydrogen 2.832 N/A ARG 205.A N LEU 201.A O no hydrogen 3.023 N/A SER 207.A N GLU 163.A OE1 no hydrogen 3.250 N/A SER 207.A OG GLU 163.A OE2 no hydrogen 2.320 N/A VAL 211.A N VAL 170.A O no hydrogen 2.920 N/A ALA 212.A N ALA 232.A O no hydrogen 2.981 N/A ALA 213.A N ALA 172.A O no hydrogen 2.775 N/A GLY 219.A N GLU 345.A OE1 no hydrogen 2.857 N/A GLY 221.A N ASP 218.A OD1 no hydrogen 2.863 N/A ILE 222.A N ASP 218.A O no hydrogen 3.155 N/A ARG 223.A N GLY 219.A O no hydrogen 2.910 N/A ARG 223.A NH1 LEU 346.A O no hydrogen 2.744 N/A ALA 224.A N ARG 220.A O no hydrogen 2.979 N/A ALA 225.A N GLY 221.A O no hydrogen 3.176 N/A LEU 226.A N ILE 222.A O no hydrogen 3.006 N/A GLU 227.A N ARG 223.A O no hydrogen 2.822 N/A LEU 228.A N ALA 224.A O no hydrogen 3.037 N/A LEU 228.A N ALA 225.A O no hydrogen 3.113 N/A GLY 229.A N LEU 226.A O no hydrogen 2.972 N/A ALA 230.A N ALA 225.A O no hydrogen 3.038 N/A SER 231.A N VAL 210.A O no hydrogen 2.896 N/A ALA 232.A N VAL 210.A O no hydrogen 3.450 N/A GLN 234.A N ALA 212.A O no hydrogen 2.733 N/A MET 235.A N ILE 13.A O no hydrogen 2.959 N/A PHE 239.A N GLY 236.A O no hydrogen 2.967 N/A VAL 240.A N THR 237.A O no hydrogen 3.176 N/A CYS 242.A N PHE 239.A O no hydrogen 3.101 N/A CYS 242.A SG PHE 239.A O no hydrogen 3.287 N/A CYS 242.A SG LEU 333.A O no hydrogen 3.411 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.915 N/A SER 245.A N CYS 242.A O no hydrogen 2.935 N/A SER 245.A OG VAL 240.A O no hydrogen 2.504 N/A SER 245.A OG CYS 242.A O no hydrogen 3.235 N/A SER 246.A N VAL 20.A O no hydrogen 2.542 N/A ALA 247.A N SER 245.A OG no hydrogen 3.249 N/A TYR 251.A N ASN 248.A OD1 no hydrogen 3.020 N/A TYR 251.A OH TRP 322.A O no hydrogen 2.609 N/A ARG 252.A N ASN 248.A O no hydrogen 3.004 N/A ARG 252.A NE ALA 247.A O no hydrogen 2.674 N/A ARG 252.A NH1 CYS 242.A O no hydrogen 3.032 N/A ARG 252.A NH2 CYS 242.A O no hydrogen 3.547 N/A GLU 253.A N ALA 249.A O no hydrogen 2.855 N/A ALA 254.A N ALA 250.A O no hydrogen 2.843 N/A LEU 255.A N TYR 251.A O no hydrogen 2.968 N/A LYS 256.A N ARG 252.A O no hydrogen 3.069 N/A LYS 256.A NZ GLU 332.A OE1 no hydrogen 3.228 N/A LYS 256.A NZ GLU 332.A OE2 no hydrogen 2.570 N/A GLY 257.A N GLU 253.A O no hydrogen 2.977 N/A GLY 257.A N ALA 254.A O no hydrogen 3.278 N/A ARG 259.A NH1 GLN 321.A OE1 no hydrogen 3.189 N/A ARG 259.A NH2 LEU 277.A O no hydrogen 3.392 N/A ARG 259.A NH2 PRO 278.A O no hydrogen 3.466 N/A ARG 259.A NH2 GLN 321.A OE1 no hydrogen 2.936 N/A ALA 260.A N GLY 257.A O no hydrogen 3.134 N/A ALA 261.A N PRO 258.A O no hydrogen 3.033 N/A ARG 262.A N ARG 259.A O no hydrogen 3.150 N/A ALA 264.A N GLY 276.A O no hydrogen 3.033 N/A THR 266.A N ALA 274.A O no hydrogen 2.875 N/A THR 266.A OG1 MET 281.A O no hydrogen 3.278 N/A THR 268.A N THR 266.A OG1 no hydrogen 3.162 N/A THR 268.A OG1 THR 266.A OG1 no hydrogen 2.802 N/A THR 268.A OG1 MET 281.A O no hydrogen 2.792 N/A SER 270.A OG HIS 180.A NE2 no hydrogen 2.560 N/A SER 270.A OG ARG 272.A O no hydrogen 3.082 N/A GLY 271.A N VAL 267.A O no hydrogen 2.753 N/A ARG 272.A N SER 270.A OG no hydrogen 3.242 N/A ARG 272.A NH1 VAL 183.A O no hydrogen 3.009 N/A ARG 272.A NH2 VAL 183.A O no hydrogen 2.861 N/A ARG 272.A NH2 PHE 184.A O no hydrogen 3.241 N/A ALA 274.A N THR 266.A O no hydrogen 3.003 N/A ARG 275.A N GLY 179.A O no hydrogen 2.966 N/A ARG 275.A NE ILE 175.A O no hydrogen 2.975 N/A ARG 275.A NH1 THR 263.A OG1 no hydrogen 3.069 N/A ARG 275.A NH2 ILE 175.A O no hydrogen 2.931 N/A GLY 276.A N ALA 264.A O no hydrogen 2.906 N/A LEU 277.A N GLN 321.A O no hydrogen 2.846 N/A ASN 279.A ND2 ALA 319.A O no hydrogen 2.986 N/A ARG 280.A N ASP 317.A O no hydrogen 3.030 N/A ARG 280.A NH1 GLU 93.A OE2 no hydrogen 3.001 N/A ARG 280.A NH2 GLU 93.A OE1 no hydrogen 3.046 N/A MET 281.A N ASN 279.A OD1 no hydrogen 3.108 N/A PHE 282.A N ASN 279.A O no hydrogen 2.964 N/A ALA 286.A N ASP 284.A OD1 no hydrogen 3.116 N/A ALA 287.A N ASP 284.A O no hydrogen 3.037 N/A VAL 290.A N ALA 287.A O no hydrogen 3.178 N/A VAL 299.A N ASP 295.A O no hydrogen 3.310 N/A ASP 301.A N PRO 297.A O no hydrogen 3.248 N/A ALA 302.A N PHE 298.A O no hydrogen 3.407 N/A THR 303.A N VAL 299.A O no hydrogen 3.059 N/A THR 303.A OG1 MET 269.A O no hydrogen 2.708 N/A THR 303.A OG1 VAL 299.A O no hydrogen 3.473 N/A LYS 304.A N TYR 300.A O no hydrogen 2.865 N/A ALA 305.A N ASP 301.A O no hydrogen 3.233 N/A LEU 306.A N ALA 302.A O no hydrogen 3.131 N/A GLN 307.A N THR 303.A O no hydrogen 2.742 N/A GLN 307.A NE2 PHE 318.A O no hydrogen 2.762 N/A THR 308.A N LYS 304.A O no hydrogen 2.883 N/A THR 308.A OG1 LYS 304.A O no hydrogen 3.101 N/A ALA 309.A N ALA 305.A O no hydrogen 3.267 N/A ALA 310.A N LEU 306.A O no hydrogen 2.949 N/A LEU 311.A N GLN 307.A O no hydrogen 2.887 N/A ALA 312.A N THR 308.A O no hydrogen 2.961 N/A ARG 313.A N ALA 310.A O no hydrogen 3.104 N/A ARG 313.A NH1 GLU 93.A O no hydrogen 3.186 N/A GLY 314.A N LEU 311.A O no hydrogen 2.647 N/A ASN 315.A N ALA 310.A O no hydrogen 2.809 N/A ASP 317.A N ASN 315.A OD1 no hydrogen 2.702 N/A ALA 319.A N HIS 316.A O no hydrogen 3.282 N/A ALA 323.A N ARG 275.A O no hydrogen 3.357 N/A GLY 324.A N THR 237.A OG1 no hydrogen 2.646 N/A GLN 325.A N GLU 176.A O no hydrogen 2.872 N/A ALA 327.A N GLY 324.A O no hydrogen 3.001 N/A LEU 329.A N GLY 326.A O no hydrogen 2.853 N/A ALA 330.A N ALA 327.A O no hydrogen 3.099 N/A ARG 331.A NH1 GLU 345.A OE2 no hydrogen 2.706 N/A ARG 331.A NH2 MET 217.A O no hydrogen 3.109 N/A ARG 331.A NH2 GLU 345.A OE1 no hydrogen 3.215 N/A ARG 331.A NH2 GLU 345.A OE2 no hydrogen 3.506 N/A ALA 335.A N GLU 244.A OE1 no hydrogen 3.025 N/A LEU 338.A N PRO 334.A O no hydrogen 2.843 N/A LEU 339.A N ALA 335.A O no hydrogen 2.961 N/A ARG 340.A N ALA 336.A O no hydrogen 2.947 N/A THR 341.A N GLU 337.A O no hydrogen 2.963 N/A THR 341.A OG1 GLU 337.A O no hydrogen 2.819 N/A LEU 342.A N LEU 338.A O no hydrogen 2.849 N/A VAL 343.A N LEU 339.A O no hydrogen 2.975 N/A GLU 344.A N ARG 340.A O no hydrogen 2.945 N/A GLU 345.A N THR 341.A O no hydrogen 2.901 N/A LEU 346.A N LEU 342.A O no hydrogen 2.815 N/A