Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w4i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PRO 29.A O no hydrogen 3.214 N/A ARG 2.A N ASP 176.A OD1 no hydrogen 2.534 N/A VAL 3.A N ASP 31.A O no hydrogen 2.698 N/A VAL 4.A N VAL 177.A O no hydrogen 3.000 N/A VAL 5.A N LYS 33.A O no hydrogen 2.841 N/A ILE 6.A N VAL 179.A O no hydrogen 2.711 N/A GLY 7.A N TYR 35.A O no hydrogen 2.717 N/A VAL 10.A N THR 45.A OG1 no hydrogen 2.958 N/A LEU 13.A N GLY 9.A O no hydrogen 3.138 N/A SER 14.A N VAL 10.A O no hydrogen 3.033 N/A SER 14.A OG VAL 10.A O no hydrogen 2.688 N/A SER 14.A OG ILE 11.A O no hydrogen 3.417 N/A THR 15.A N ILE 11.A O no hydrogen 2.956 N/A THR 15.A OG1 ILE 11.A O no hydrogen 2.750 N/A ALA 16.A N GLY 12.A O no hydrogen 2.738 N/A LEU 17.A N LEU 13.A O no hydrogen 2.995 N/A CYS 18.A N SER 14.A O no hydrogen 2.861 N/A ILE 19.A N THR 15.A O no hydrogen 2.944 N/A HIS 20.A N ALA 16.A O no hydrogen 3.013 N/A GLU 21.A N LEU 17.A O no hydrogen 2.914 N/A ARG 22.A N CYS 18.A O no hydrogen 3.239 N/A TYR 23.A N ILE 19.A O no hydrogen 2.972 N/A TYR 23.A N HIS 20.A O no hydrogen 3.263 N/A TYR 23.A OH ALA 327.A O no hydrogen 3.137 N/A HIS 24.A N HIS 20.A O no hydrogen 2.916 N/A VAL 26.A N TYR 23.A O no hydrogen 3.257 N/A LEU 30.A N GLN 28.A O no hydrogen 2.784 N/A ASP 31.A N MET 1.A O no hydrogen 3.073 N/A LYS 33.A N VAL 3.A O no hydrogen 3.004 N/A VAL 34.A N LYS 158.A O no hydrogen 2.816 N/A TYR 35.A N VAL 5.A O no hydrogen 2.853 N/A TYR 35.A OH GLU 173.A OE1 no hydrogen 2.670 N/A ALA 36.A N PHE 160.A O no hydrogen 3.192 N/A LEU 42.A N PHE 39.A O no hydrogen 2.673 N/A THR 43.A N ASP 46.A OD1 no hydrogen 2.736 N/A THR 43.A OG1 ASP 46.A OD1 no hydrogen 2.648 N/A ASP 46.A N THR 43.A O no hydrogen 3.011 N/A ASP 46.A N THR 43.A OG1 no hydrogen 3.374 N/A VAL 47.A N THR 44.A O no hydrogen 2.917 N/A ALA 48.A N THR 44.A O no hydrogen 3.343 N/A ALA 48.A N THR 45.A O no hydrogen 3.224 N/A TRP 52.A N LEU 137.A O no hydrogen 2.893 N/A GLN 53.A N THR 317.A OG1 no hydrogen 3.063 N/A GLN 53.A NE2 ASN 96.A OD1 no hydrogen 3.157 N/A GLN 63.A N ASN 61.A OD1 no hydrogen 2.896 N/A GLU 64.A N ASN 61.A O no hydrogen 2.907 N/A TRP 67.A N GLN 63.A O no hydrogen 3.125 N/A SER 68.A N GLU 64.A O no hydrogen 2.974 N/A SER 68.A OG GLU 64.A O no hydrogen 3.477 N/A GLN 69.A N ALA 65.A O no hydrogen 3.138 N/A GLN 70.A N ASP 66.A O no hydrogen 2.801 N/A THR 71.A N TRP 67.A O no hydrogen 3.140 N/A THR 71.A OG1 TRP 67.A O no hydrogen 2.823 N/A PHE 72.A N SER 68.A O no hydrogen 2.873 N/A ASP 73.A N GLN 69.A O no hydrogen 2.832 N/A TYR 74.A N GLN 70.A O no hydrogen 3.052 N/A LEU 75.A N THR 71.A O no hydrogen 2.944 N/A LEU 76.A N PHE 72.A O no hydrogen 2.849 N/A SER 77.A N ASP 73.A O no hydrogen 2.954 N/A SER 77.A OG TYR 74.A O no hydrogen 2.712 N/A HIS 78.A N LEU 75.A O no hydrogen 2.944 N/A VAL 79.A N LEU 76.A O no hydrogen 3.249 N/A SER 81.A N HIS 78.A O no hydrogen 2.989 N/A ASN 83.A N SER 81.A OG no hydrogen 3.236 N/A ALA 84.A N SER 81.A O no hydrogen 3.291 N/A LEU 87.A N ASN 83.A O no hydrogen 3.425 N/A GLY 88.A N ALA 84.A O no hydrogen 2.756 N/A GLY 88.A N GLU 85.A O no hydrogen 2.821 N/A LEU 89.A N ALA 84.A O no hydrogen 3.014 N/A PHE 90.A N ILE 138.A O no hydrogen 3.027 N/A ILE 92.A N SER 136.A O no hydrogen 3.085 N/A SER 93.A OG THR 135.A OG1 no hydrogen 2.536 N/A GLY 94.A N HIS 134.A O no hydrogen 3.092 N/A TYR 95.A N PHE 213.A O no hydrogen 2.834 N/A ASN 96.A N TRP 132.A O no hydrogen 3.011 N/A ASN 96.A ND2 GLN 53.A OE1 no hydrogen 3.243 N/A LEU 97.A N LEU 215.A O no hydrogen 2.852 N/A PHE 98.A N TYR 130.A O no hydrogen 2.605 N/A TRP 107.A NE1 TYR 55.A O no hydrogen 3.299 N/A LYS 108.A N PRO 105.A O no hydrogen 3.194 N/A THR 110.A N TRP 107.A O no hydrogen 2.580 N/A THR 110.A OG1 TRP 107.A O no hydrogen 2.978 N/A VAL 111.A N TRP 107.A O no hydrogen 3.355 N/A LEU 112.A N THR 135.A O no hydrogen 2.936 N/A ARG 115.A N PHE 133.A O no hydrogen 2.994 N/A ARG 115.A NH1 GLU 121.A OE1 no hydrogen 2.726 N/A ARG 115.A NH2 LYS 116.A O no hydrogen 2.976 N/A ARG 115.A NH2 GLU 121.A OE1 no hydrogen 3.467 N/A ARG 115.A NH2 GLU 121.A OE2 no hydrogen 2.967 N/A LYS 116.A NZ ASP 104.A OD2 no hydrogen 3.552 N/A LEU 117.A N GLY 131.A O no hydrogen 2.839 N/A THR 118.A N GLU 121.A OE2 no hydrogen 2.882 N/A THR 118.A OG1 GLU 121.A OE2 no hydrogen 2.857 N/A LEU 122.A N THR 118.A O no hydrogen 3.252 N/A ASP 123.A N PRO 119.A O no hydrogen 3.170 N/A ASP 123.A N ARG 120.A O no hydrogen 3.287 N/A MET 124.A N GLU 121.A O no hydrogen 3.122 N/A PHE 125.A N LEU 122.A O no hydrogen 2.848 N/A TYR 128.A N PHE 125.A O no hydrogen 2.731 N/A GLY 129.A N PHE 98.A O no hydrogen 2.861 N/A TYR 130.A N PHE 98.A O no hydrogen 2.925 N/A TRP 132.A N ASN 96.A O no hydrogen 2.670 N/A PHE 133.A N ARG 115.A O no hydrogen 2.908 N/A HIS 134.A N GLY 94.A O no hydrogen 3.198 N/A THR 135.A N LEU 112.A O no hydrogen 2.878 N/A THR 135.A OG1 SER 93.A OG no hydrogen 2.536 N/A SER 136.A N ILE 92.A O no hydrogen 2.588 N/A SER 136.A OG TRP 52.A O no hydrogen 2.693 N/A ILE 138.A N PHE 90.A O no hydrogen 2.886 N/A LEU 139.A N GLY 50.A O no hydrogen 2.882 N/A GLU 140.A N GLY 88.A O no hydrogen 3.068 N/A ASN 143.A ND2 ASN 86.A O no hydrogen 3.410 N/A TYR 144.A N GLU 140.A O no hydrogen 2.910 N/A LEU 145.A N GLY 141.A O no hydrogen 2.792 N/A GLN 146.A N LYS 142.A O no hydrogen 2.989 N/A TRP 147.A N ASN 143.A O no hydrogen 2.824 N/A LEU 148.A N TYR 144.A O no hydrogen 2.941 N/A THR 149.A N LEU 145.A O no hydrogen 2.969 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.775 N/A GLU 150.A N GLN 146.A O no hydrogen 3.114 N/A ARG 151.A N TRP 147.A O no hydrogen 2.981 N/A ARG 151.A NE GLU 154.A OE2 no hydrogen 2.652 N/A ARG 151.A NH1 GLU 154.A OE1 no hydrogen 3.067 N/A ARG 151.A NH1 GLU 154.A OE2 no hydrogen 2.260 N/A LEU 152.A N LEU 148.A O no hydrogen 2.684 N/A THR 153.A N THR 149.A O no hydrogen 2.856 N/A THR 153.A OG1 THR 149.A O no hydrogen 2.621 N/A GLU 154.A N GLU 150.A O no hydrogen 3.224 N/A ARG 155.A N LEU 152.A O no hydrogen 3.106 N/A ARG 155.A NH2 HIS 20.A ND1 no hydrogen 2.982 N/A GLY 156.A N THR 153.A O no hydrogen 2.521 N/A VAL 157.A N LEU 152.A O no hydrogen 3.039 N/A LYS 158.A N ILE 32.A O no hydrogen 3.376 N/A PHE 160.A N VAL 34.A O no hydrogen 2.818 N/A ARG 162.A N ALA 36.A O no hydrogen 2.870 N/A GLU 165.A N GLU 169.A OE2 no hydrogen 2.579 N/A SER 166.A N GLU 169.A OE2 no hydrogen 3.283 N/A GLU 169.A N SER 166.A OG no hydrogen 3.010 N/A VAL 170.A N PHE 167.A O no hydrogen 2.953 N/A ALA 171.A N PHE 167.A O no hydrogen 2.982 N/A ARG 172.A N GLU 168.A O no hydrogen 2.668 N/A GLU 173.A N GLU 169.A O no hydrogen 3.276 N/A GLY 174.A N ALA 171.A O no hydrogen 2.775 N/A ALA 175.A N VAL 170.A O no hydrogen 3.465 N/A ASP 176.A N ARG 2.A O no hydrogen 2.913 N/A VAL 177.A N ARG 2.A O no hydrogen 3.508 N/A ILE 178.A N GLU 304.A O no hydrogen 2.802 N/A VAL 179.A N VAL 4.A O no hydrogen 2.680 N/A ASN 180.A N ILE 306.A O no hydrogen 2.625 N/A CYS 181.A N ILE 6.A O no hydrogen 2.908 N/A CYS 181.A SG ASN 308.A O no hydrogen 4.030 N/A THR 182.A OG1 ASN 180.A OD1 no hydrogen 2.899 N/A TRP 185.A N THR 182.A O no hydrogen 3.091 N/A ALA 186.A N GLY 183.A O no hydrogen 3.160 N/A ALA 188.A N TRP 185.A O no hydrogen 3.319 N/A LEU 189.A N ALA 186.A O no hydrogen 2.939 N/A GLN 190.A N ALA 186.A O no hydrogen 3.409 N/A GLN 190.A NE2 GLU 294.A OE1 no hydrogen 2.944 N/A GLN 190.A NE2 GLU 294.A OE2 no hydrogen 3.407 N/A LEU 194.A N ASP 192.A OD1 no hydrogen 2.856 N/A LEU 195.A N ASP 192.A O no hydrogen 3.304 N/A GLN 196.A N VAL 285.A O no hydrogen 2.728 N/A GLY 198.A N ARG 283.A O no hydrogen 2.821 N/A ARG 199.A N GLN 243.A O no hydrogen 3.184 N/A ARG 199.A NH2 SER 248.A O no hydrogen 3.187 N/A ARG 199.A NH2 LEU 250.A O no hydrogen 2.647 N/A GLY 200.A N GLY 281.A O no hydrogen 2.840 N/A ILE 202.A N ARG 279.A O no hydrogen 2.899 N/A MET 203.A N LEU 238.A O no hydrogen 2.750 N/A LYS 204.A N GLY 277.A O no hydrogen 2.997 N/A VAL 205.A N VAL 236.A O no hydrogen 2.779 N/A ASP 206.A N ARG 274.A O no hydrogen 2.807 N/A TRP 209.A NE1 THR 269.A OG1 no hydrogen 2.899 N/A MET 210.A N ALA 207.A O no hydrogen 2.951 N/A LYS 211.A NZ PRO 208.A O no hydrogen 2.855 N/A PHE 213.A N SER 93.A O no hydrogen 3.128 N/A ILE 214.A N ILE 229.A O no hydrogen 2.829 N/A LEU 215.A N TYR 95.A O no hydrogen 2.804 N/A THR 216.A N PRO 227.A O no hydrogen 3.099 N/A THR 216.A OG1 SER 226.A OG no hydrogen 2.579 N/A THR 216.A OG1 PRO 227.A O no hydrogen 2.603 N/A HIS 217.A N LEU 97.A O no hydrogen 2.935 N/A HIS 217.A NE2 ASN 96.A OD1 no hydrogen 3.115 N/A GLU 220.A N ASP 218.A OD1 no hydrogen 2.767 N/A ARG 221.A NH2 ASP 218.A OD2 no hydrogen 2.637 N/A GLY 222.A N ASP 218.A O no hydrogen 2.661 N/A ASN 225.A N GLY 222.A O no hydrogen 2.996 N/A ASN 225.A ND2 PHE 242.A O no hydrogen 2.422 N/A SER 226.A OG THR 216.A O no hydrogen 3.023 N/A SER 226.A OG THR 216.A OG1 no hydrogen 2.579 N/A TYR 228.A N GLY 239.A O no hydrogen 3.006 N/A ILE 229.A N ILE 214.A O no hydrogen 2.930 N/A ILE 230.A N THR 237.A O no hydrogen 2.981 N/A GLY 232.A N THR 235.A O no hydrogen 2.542 N/A THR 233.A N GLU 140.A OE2 no hydrogen 2.684 N/A THR 235.A OG1 VAL 205.A O no hydrogen 2.457 N/A VAL 236.A N VAL 205.A O no hydrogen 2.742 N/A THR 237.A N ILE 230.A O no hydrogen 2.958 N/A LEU 238.A N MET 203.A O no hydrogen 2.621 N/A GLY 239.A N TYR 228.A O no hydrogen 3.038 N/A GLN 243.A N ARG 199.A O no hydrogen 3.175 N/A GLY 245.A N PRO 197.A O no hydrogen 2.826 N/A ASN 246.A N GLN 243.A O no hydrogen 3.435 N/A SER 248.A N ASN 246.A OD1 no hydrogen 2.934 N/A ASN 251.A ND2 GLU 278.A O no hydrogen 3.200 N/A HIS 256.A N ASN 252.A O no hydrogen 2.839 N/A HIS 256.A ND1 GLU 278.A OE2 no hydrogen 2.966 N/A ASN 257.A N ILE 253.A O no hydrogen 3.016 N/A THR 258.A N GLN 254.A O no hydrogen 3.038 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.882 N/A ILE 259.A N ASP 255.A O no hydrogen 2.898 N/A TRP 260.A N HIS 256.A O no hydrogen 3.056 N/A GLU 261.A N ASN 257.A O no hydrogen 2.893 N/A GLY 262.A N THR 258.A O no hydrogen 2.897 N/A CYS 263.A N ILE 259.A O no hydrogen 2.887 N/A CYS 263.A SG TYR 228.A O no hydrogen 3.355 N/A CYS 263.A SG GLY 239.A O no hydrogen 3.878 N/A CYS 263.A SG ILE 259.A O no hydrogen 3.135 N/A CYS 264.A N TRP 260.A O no hydrogen 2.948 N/A ARG 265.A N GLU 261.A O no hydrogen 2.975 N/A LEU 266.A N GLY 262.A O no hydrogen 3.249 N/A LEU 266.A N CYS 263.A O no hydrogen 3.174 N/A GLU 267.A N CYS 263.A O no hydrogen 2.829 N/A THR 269.A OG1 GLU 267.A OE1 no hydrogen 3.210 N/A LEU 270.A N GLU 267.A O no hydrogen 2.948 N/A LYS 271.A N PRO 268.A O no hydrogen 3.036 N/A ALA 273.A N LEU 270.A O no hydrogen 3.036 N/A ILE 276.A N LYS 204.A O no hydrogen 2.881 N/A GLY 277.A N LYS 204.A O no hydrogen 3.406 N/A ARG 279.A N ILE 202.A O no hydrogen 2.894 N/A THR 280.A OG1 ASN 251.A OD1 no hydrogen 2.586 N/A GLY 281.A N GLY 200.A O no hydrogen 3.076 N/A PHE 282.A N THR 44.A OG1 no hydrogen 3.277 N/A ARG 283.A N GLY 198.A O no hydrogen 2.822 N/A ARG 283.A NH1 ILE 241.A O no hydrogen 2.982 N/A ARG 283.A NH2 GLY 198.A O no hydrogen 3.034 N/A ARG 283.A NH2 ARG 199.A O no hydrogen 3.017 N/A ARG 283.A NH2 ILE 241.A O no hydrogen 2.982 N/A VAL 285.A N GLN 196.A O no hydrogen 2.852 N/A VAL 285.A N ARG 283.A O no hydrogen 2.915 N/A ARG 286.A NE ASP 192.A OD2 no hydrogen 2.775 N/A ARG 286.A NH1 ASP 192.A OD2 no hydrogen 3.173 N/A ARG 286.A NH2 GLN 288.A O no hydrogen 3.016 N/A ILE 289.A N GLU 64.A OE2 no hydrogen 2.803 N/A ARG 290.A N TYR 309.A O no hydrogen 2.928 N/A ARG 290.A NE TYR 309.A OH no hydrogen 2.771 N/A ARG 290.A NH1 GLN 190.A OE1 no hydrogen 2.654 N/A ARG 290.A NH1 TYR 309.A OH no hydrogen 3.155 N/A ARG 290.A NH2 GLU 292.A OE2 no hydrogen 2.968 N/A GLU 292.A N HIS 307.A O no hydrogen 3.176 N/A ARG 293.A NH1 GLU 336.A OE1 no hydrogen 3.258 N/A ARG 293.A NH1 GLU 336.A OE2 no hydrogen 2.895 N/A ARG 293.A NH2 GLU 304.A OE1 no hydrogen 2.587 N/A ARG 293.A NH2 GLU 336.A OE1 no hydrogen 3.114 N/A GLU 294.A N VAL 305.A O no hydrogen 2.969 N/A LEU 296.A N THR 303.A O no hydrogen 2.882 N/A ARG 297.A NE GLN 295.A O no hydrogen 3.298 N/A THR 298.A OG1 GLU 168.A OE2 no hydrogen 3.089 N/A THR 303.A N LEU 296.A O no hydrogen 3.058 N/A GLU 304.A N ASP 176.A O no hydrogen 3.271 N/A VAL 305.A N GLU 294.A O no hydrogen 2.950 N/A ILE 306.A N ILE 178.A O no hydrogen 2.827 N/A HIS 307.A N GLU 292.A O no hydrogen 2.923 N/A ASN 308.A N ASN 180.A O no hydrogen 2.759 N/A ASN 308.A ND2 THR 15.A OG1 no hydrogen 3.104 N/A TYR 309.A N ARG 290.A O no hydrogen 3.064 N/A TYR 309.A OH ASP 192.A OD2 no hydrogen 2.716 N/A GLY 312.A N PRO 284.A O no hydrogen 2.783 N/A GLY 313.A N TYR 55.A OH no hydrogen 2.961 N/A TYR 314.A N HIS 311.A O no hydrogen 2.997 N/A TYR 314.A OH GLU 64.A OE1 no hydrogen 2.705 N/A THR 317.A OG1 LEU 51.A O no hydrogen 3.311 N/A ILE 318.A N TYR 314.A O no hydrogen 2.975 N/A ILE 318.A N GLY 315.A O no hydrogen 3.180 N/A GLY 321.A N THR 71.A OG1 no hydrogen 2.976 N/A CYS 322.A N ILE 318.A O no hydrogen 3.284 N/A CYS 322.A SG HIS 311.A NE2 no hydrogen 3.526 N/A CYS 322.A SG ILE 318.A O no hydrogen 3.851 N/A ALA 323.A N HIS 319.A O no hydrogen 2.885 N/A LEU 324.A N TRP 320.A O no hydrogen 3.015 N/A GLU 325.A N GLY 321.A O no hydrogen 3.058 N/A ALA 326.A N CYS 322.A O no hydrogen 2.854 N/A ALA 327.A N ALA 323.A O no hydrogen 2.895 N/A LYS 328.A N LEU 324.A O no hydrogen 3.019 N/A LEU 329.A N GLU 325.A O no hydrogen 3.093 N/A PHE 330.A N ALA 326.A O no hydrogen 3.113 N/A GLY 331.A N ALA 327.A O no hydrogen 2.827 N/A ARG 332.A N LYS 328.A O no hydrogen 3.065 N/A ILE 333.A N LEU 329.A O no hydrogen 3.120 N/A LEU 334.A N PHE 330.A O no hydrogen 3.293 N/A GLU 335.A N GLY 331.A O no hydrogen 3.335 N/A GLU 336.A N ARG 332.A O no hydrogen 3.189 N/A LYS 337.A N ILE 333.A O no hydrogen 2.896 N/A LYS 338.A N GLU 335.A O no hydrogen 3.187 N/A LEU 339.A N LEU 334.A O no hydrogen 2.842 N/A