Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i25_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 5.A N PHE 2P.A O no hydrogen 2.787 N/A VAL 6.A N PHE 2P.A O no hydrogen 3.287 N/A VAL 6.A N VAL 3P.A O no hydrogen 3.164 N/A ASP 7.A N SER 165.A OG no hydrogen 3.081 N/A ASN 8.A N MET 5.A O no hydrogen 3.259 N/A ASN 8.A ND2 HIS 92.A O no hydrogen 2.738 N/A ASN 8.A ND2 MET 166.A O no hydrogen 3.045 N/A LEU 9.A N GLY 164.A O no hydrogen 3.057 N/A ARG 10.A N TYR 18.A O no hydrogen 3.038 N/A ARG 10.A NH2 ASP 7.A O no hydrogen 3.329 N/A GLY 11.A N VAL 162.A O no hydrogen 3.176 N/A LYS 12.A NZ TYR 18.A OH no hydrogen 2.859 N/A GLN 15.A N LYS 12.A O no hydrogen 2.601 N/A TYR 17.A OH GLU 327.A OE1 no hydrogen 2.672 N/A TYR 18.A N ARG 10.A O no hydrogen 2.899 N/A VAL 19.A N ILE 32.A O no hydrogen 2.962 N/A MET 21.A N LEU 30.A O no hydrogen 2.803 N/A THR 22.A N SER 89.A O no hydrogen 2.970 N/A THR 22.A OG1 SER 89.A OG no hydrogen 3.013 N/A VAL 23.A N GLN 28.A O no hydrogen 3.011 N/A GLY 24.A N LEU 87.A O no hydrogen 2.754 N/A SER 25.A N SER 60.A OG no hydrogen 3.222 N/A SER 25.A OG THR 62.A OG1 no hydrogen 2.665 N/A GLN 28.A N VAL 23.A O no hydrogen 3.031 N/A GLN 28.A NE2 GLN 56.A O no hydrogen 3.024 N/A LEU 30.A N MET 21.A O no hydrogen 2.891 N/A ASN 31.A N GLU 119.A OE2 no hydrogen 2.891 N/A ILE 32.A N VAL 19.A O no hydrogen 2.777 N/A LEU 33.A N GLY 120.A O no hydrogen 2.920 N/A VAL 34.A N TYR 17.A O no hydrogen 2.825 N/A ASP 35.A N LEU 122.A O no hydrogen 2.802 N/A THR 36.A N SER 221.A OG no hydrogen 2.912 N/A THR 36.A OG1 VAL 219.A O no hydrogen 2.865 N/A GLY 37.A N ASP 35.A OD1 no hydrogen 3.066 N/A SER 38.A OG ASP 35.A OD2 no hydrogen 2.514 N/A SER 39.A OG TYR 126.A O no hydrogen 2.764 N/A ASN 40.A ND2 ARG 131.A O no hydrogen 2.764 N/A ALA 42.A N ILE 121.A O no hydrogen 3.094 N/A VAL 43.A N ALA 103.A O no hydrogen 2.930 N/A GLY 44.A N GLU 119.A O no hydrogen 2.681 N/A ALA 45.A N ILE 105.A O no hydrogen 3.012 N/A PHE 50.A N HIS 48.A ND1 no hydrogen 3.024 N/A LEU 51.A N HIS 48.A O no hydrogen 2.888 N/A ARG 53.A NE GLU 119.A OE2 no hydrogen 3.129 N/A ARG 53.A NH2 GLU 119.A OE2 no hydrogen 3.558 N/A TYR 55.A N GLY 44.A O no hydrogen 2.819 N/A TYR 55.A OH ASP 86.A OD2 no hydrogen 2.576 N/A GLN 56.A N GLN 28.A OE1 no hydrogen 2.847 N/A ARG 57.A NH1 GLU 82.A OE2 no hydrogen 2.700 N/A GLN 58.A N GLN 58.A OE1 no hydrogen 2.784 N/A LEU 59.A N GLN 56.A O no hydrogen 3.075 N/A SER 60.A N ARG 57.A O no hydrogen 3.092 N/A SER 60.A OG ASP 86.A OD1 no hydrogen 3.452 N/A SER 60.A OG ASP 86.A OD2 no hydrogen 2.726 N/A SER 61.A N SER 25.A O no hydrogen 2.972 N/A SER 61.A OG SER 25.A O no hydrogen 3.303 N/A THR 62.A OG1 SER 25.A OG no hydrogen 2.665 N/A THR 62.A OG1 ASP 86.A OD1 no hydrogen 2.816 N/A ARG 64.A N THR 85.A O no hydrogen 3.069 N/A LEU 66.A N LEU 83.A O no hydrogen 2.944 N/A ARG 67.A N ASP 65.A OD1 no hydrogen 2.913 N/A VAL 70.A N GLY 81.A O no hydrogen 2.914 N/A VAL 72.A N TRP 79.A O no hydrogen 2.838 N/A TYR 74.A N GLY 77.A O no hydrogen 2.786 N/A LYS 78.A N ASP 109.A O no hydrogen 3.176 N/A LYS 78.A NZ ASP 109.A OD2 no hydrogen 3.443 N/A TRP 79.A N VAL 72.A O no hydrogen 3.004 N/A TRP 79.A NE1 TYR 74.A OH no hydrogen 2.969 N/A GLU 80.A N GLU 107.A O no hydrogen 2.816 N/A GLY 81.A N VAL 70.A O no hydrogen 2.832 N/A GLU 82.A N ALA 104.A O no hydrogen 3.042 N/A LEU 83.A N LYS 68.A O no hydrogen 2.800 N/A GLY 84.A N ILE 102.A O no hydrogen 2.960 N/A THR 85.A N ARG 64.A O no hydrogen 2.892 N/A ASP 86.A N ALA 100.A O no hydrogen 3.119 N/A LEU 87.A N ASP 86.A OD1 no hydrogen 2.617 N/A VAL 88.A N VAL 98.A O no hydrogen 2.676 N/A SER 89.A N THR 22.A O no hydrogen 2.970 N/A SER 89.A OG THR 22.A OG1 no hydrogen 3.013 N/A VAL 96.A N PRO 94.A O no hydrogen 2.995 N/A VAL 98.A N VAL 88.A O no hydrogen 2.965 N/A ARG 99.A N GLN 146.A OE1 no hydrogen 3.015 N/A ARG 99.A NH1 THR 62.A O no hydrogen 2.827 N/A ARG 99.A NH1 THR 85.A OG1 no hydrogen 2.892 N/A ARG 99.A NH2 THR 62.A O no hydrogen 2.782 N/A ALA 100.A N ASP 86.A O no hydrogen 2.855 N/A ASN 101.A ND2 GLU 137.A O no hydrogen 2.952 N/A ILE 102.A N GLY 84.A O no hydrogen 2.959 N/A ALA 103.A N PHE 41.A O no hydrogen 2.964 N/A ALA 104.A N GLU 82.A O no hydrogen 2.921 N/A ILE 105.A N VAL 43.A O no hydrogen 2.688 N/A THR 106.A N GLU 80.A O no hydrogen 2.963 N/A GLU 107.A N GLU 80.A O no hydrogen 3.287 N/A ASP 109.A N LYS 78.A O no hydrogen 2.945 N/A LYS 110.A NZ ASP 109.A OD1 no hydrogen 3.259 N/A SER 116.A N ILE 113.A O no hydrogen 3.231 N/A SER 116.A OG ILE 113.A O no hydrogen 2.981 N/A ASN 117.A ND2 TYR 18.A OH no hydrogen 2.857 N/A TRP 118.A NE1 GLN 15.A O no hydrogen 2.805 N/A GLU 119.A N ASN 31.A O no hydrogen 2.688 N/A ILE 121.A N ALA 42.A O no hydrogen 2.875 N/A LEU 122.A N LEU 33.A O no hydrogen 2.752 N/A GLY 123.A N ASN 40.A O no hydrogen 3.118 N/A LEU 124.A N ASP 35.A O no hydrogen 2.711 N/A ALA 125.A N SER 38.A O no hydrogen 2.764 N/A TYR 126.A N TRP 189.A O no hydrogen 2.973 N/A ILE 129.A N TYR 126.A O no hydrogen 3.105 N/A ALA 130.A N ALA 127.A O no hydrogen 3.007 N/A ARG 131.A N ASN 40.A OD1 no hydrogen 2.944 N/A SER 135.A N ASP 133.A OD2 no hydrogen 3.058 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.489 N/A LEU 136.A N ASP 133.A O no hydrogen 3.228 N/A SER 142.A N PRO 138.A O no hydrogen 3.030 N/A SER 142.A OG GLU 137.A OE2 no hydrogen 2.593 N/A SER 142.A OG PRO 138.A O no hydrogen 3.456 N/A LEU 143.A N PHE 139.A O no hydrogen 2.892 N/A VAL 144.A N PHE 140.A O no hydrogen 3.053 N/A LYS 145.A N ASP 141.A O no hydrogen 3.104 N/A GLN 146.A N SER 142.A O no hydrogen 2.954 N/A GLN 146.A NE2 ARG 99.A O no hydrogen 2.782 N/A THR 147.A N LEU 143.A O no hydrogen 2.954 N/A THR 147.A OG1 LEU 143.A O no hydrogen 2.622 N/A VAL 149.A N THR 147.A OG1 no hydrogen 3.186 N/A PHE 153.A N PHE 333.A O no hydrogen 3.154 N/A SER 154.A N ILE 167.A O no hydrogen 2.851 N/A SER 154.A OG GLY 170.A O no hydrogen 2.690 N/A SER 154.A OG TYR 330.A OH no hydrogen 2.715 N/A LEU 155.A N VAL 331.A O no hydrogen 2.835 N/A GLN 156.A N SER 165.A O no hydrogen 2.880 N/A CYS 158.A N GLY 163.A O no hydrogen 2.842 N/A VAL 162.A N GLY 11.A O no hydrogen 3.039 N/A GLY 163.A N CYS 158.A O no hydrogen 3.253 N/A SER 165.A N GLN 156.A O no hydrogen 2.949 N/A SER 165.A OG GLN 156.A OE1 no hydrogen 3.204 N/A MET 166.A N ASN 8.A OD1 no hydrogen 2.736 N/A ILE 167.A N SER 154.A O no hydrogen 2.888 N/A GLY 169.A N LEU 152.A O no hydrogen 2.841 N/A ASP 172.A N TYR 330.A OH no hydrogen 2.878 N/A HIS 173.A ND1 TYR 176.A OH no hydrogen 2.718 N/A SER 174.A N ASP 172.A OD2 no hydrogen 3.141 N/A SER 174.A OG ASP 172.A OD2 no hydrogen 2.649 N/A LEU 175.A N ASP 172.A O no hydrogen 2.966 N/A TYR 176.A OH HIS 173.A ND1 no hydrogen 2.718 N/A THR 177.A N VAL 344.A O no hydrogen 3.034 N/A TRP 181.A N PHE 342.A O no hydrogen 2.742 N/A THR 183.A N ILE 340.A O no hydrogen 2.862 N/A THR 183.A OG1 MET 280.A O no hydrogen 2.620 N/A ILE 185.A N LYS 338.A O no hydrogen 2.980 N/A ARG 186.A N GLU 192.A O no hydrogen 2.850 N/A ARG 186.A NH1 GLU 192.A OE2 no hydrogen 2.855 N/A ARG 186.A NH1 TYR 372.A O no hydrogen 3.215 N/A ARG 186.A NH2 TYR 372.A O no hydrogen 3.266 N/A ARG 187.A NE GLU 128.A OE1 no hydrogen 3.565 N/A ARG 187.A NH2 GLU 128.A OE2 no hydrogen 2.377 N/A TRP 189.A N ARG 187.A O no hydrogen 3.037 N/A TRP 189.A N TYR 190.A O no hydrogen 3.046 N/A TRP 189.A NE1 GLU 192.A OE1 no hydrogen 2.952 N/A TYR 191.A OH LEU 124.A O no hydrogen 2.683 N/A VAL 193.A N SER 217.A O no hydrogen 2.748 N/A ILE 195.A N ASN 213.A OD1 no hydrogen 2.797 N/A VAL 196.A N TYR 278.A O no hydrogen 2.859 N/A GLU 199.A N SER 276.A O no hydrogen 2.901 N/A ILE 200.A N GLN 203.A O no hydrogen 2.883 N/A ASN 201.A N VAL 274.A O no hydrogen 2.867 N/A GLN 203.A N ILE 200.A O no hydrogen 2.922 N/A LEU 205.A N VAL 198.A O no hydrogen 2.951 N/A LYS 206.A N ASP 204.A OD1 no hydrogen 3.044 N/A LYS 210.A N ASP 208.A OD1 no hydrogen 3.181 N/A LYS 210.A NZ ASP 369.A O no hydrogen 2.912 N/A LYS 210.A NZ GLY 371.A O no hydrogen 3.049 N/A GLU 211.A N ASP 208.A O no hydrogen 2.913 N/A TYR 212.A N CYS 209.A O no hydrogen 3.159 N/A ASN 213.A N LYS 210.A O no hydrogen 3.132 N/A ASN 213.A ND2 ILE 195.A O no hydrogen 2.724 N/A ASN 213.A ND2 CYS 209.A O no hydrogen 3.107 N/A ASN 213.A ND2 CYS 370.A O no hydrogen 3.027 N/A LYS 216.A NZ ASP 215.A OD1 no hydrogen 3.403 N/A LYS 216.A NZ THR 317.A O no hydrogen 2.991 N/A SER 217.A OG ASN 213.A OD1 no hydrogen 2.822 N/A ILE 218.A N THR 319.A O no hydrogen 3.001 N/A VAL 219.A N TYR 191.A O no hydrogen 3.172 N/A ASP 220.A N MET 321.A O no hydrogen 2.943 N/A SER 221.A N THR 36.A OG1 no hydrogen 2.863 N/A SER 221.A OG VAL 34.A O no hydrogen 2.864 N/A GLY 222.A N ASP 220.A OD1 no hydrogen 2.950 N/A THR 223.A N ASP 220.A O no hydrogen 3.366 N/A THR 223.A OG1 ASP 220.A OD2 no hydrogen 2.832 N/A ASN 225.A ND2 SER 313.A OG no hydrogen 2.833 N/A LEU 226.A N ALA 311.A O no hydrogen 3.043 N/A ARG 227.A N VAL 320.A O no hydrogen 2.807 N/A ARG 227.A NH2 GLN 314.A O no hydrogen 3.350 N/A LEU 228.A N SER 313.A O no hydrogen 2.839 N/A LYS 230.A NZ GLU 234.A OE2 no hydrogen 3.389 N/A PHE 233.A N PRO 229.A O no hydrogen 2.838 N/A GLU 234.A N LYS 230.A O no hydrogen 3.043 N/A ALA 235.A N LYS 231.A O no hydrogen 3.017 N/A ALA 236.A N VAL 232.A O no hydrogen 2.792 N/A VAL 237.A N PHE 233.A O no hydrogen 2.813 N/A LYS 238.A N GLU 234.A O no hydrogen 3.052 N/A SER 239.A N ALA 235.A O no hydrogen 3.220 N/A SER 239.A OG ALA 235.A O no hydrogen 3.503 N/A ILE 240.A N ALA 236.A O no hydrogen 2.961 N/A LYS 241.A N VAL 237.A O no hydrogen 2.830 N/A ALA 242.A N LYS 238.A O no hydrogen 3.061 N/A ALA 243.A N SER 239.A O no hydrogen 3.095 N/A SER 244.A N ILE 240.A O no hydrogen 3.035 N/A SER 244.A N LYS 241.A O no hydrogen 3.153 N/A SER 244.A OG ILE 240.A O no hydrogen 2.997 N/A SER 245.A N ALA 242.A O no hydrogen 3.452 N/A SER 245.A OG ALA 242.A O no hydrogen 3.129 N/A GLU 247.A N SER 244.A O no hydrogen 2.816 N/A LYS 248.A NZ THR 246.A O no hydrogen 3.160 N/A PHE 253.A N PRO 250.A O no hydrogen 2.931 N/A LEU 255.A N GLY 252.A O no hydrogen 3.215 N/A GLY 256.A N PHE 253.A O no hydrogen 3.026 N/A GLU 257.A N GLY 252.A O no hydrogen 2.871 N/A GLN 258.A N GLY 252.A O no hydrogen 3.280 N/A VAL 260.A N TYR 308.A O no hydrogen 3.070 N/A TRP 262.A N ASP 306.A O no hydrogen 2.892 N/A TRP 262.A NE1 GLU 247.A OE2 no hydrogen 3.029 N/A ALA 264.A N GLN 304.A O no hydrogen 3.077 N/A GLY 265.A N ASP 306.A OD2 no hydrogen 2.783 N/A THR 266.A N GLN 263.A O no hydrogen 3.085 N/A THR 266.A OG1 GLN 263.A O no hydrogen 2.370 N/A THR 267.A OG1 TYR 308.A OH no hydrogen 3.318 N/A ILE 271.A N PRO 268.A O no hydrogen 3.053 N/A PHE 272.A N TRP 269.A O no hydrogen 2.896 N/A VAL 274.A N ASN 201.A OD1 no hydrogen 2.980 N/A ILE 275.A N ILE 292.A O no hydrogen 2.960 N/A SER 276.A N GLU 199.A O no hydrogen 2.818 N/A SER 276.A OG THR 291.A OG1 no hydrogen 3.045 N/A LEU 277.A N ILE 290.A O no hydrogen 2.862 N/A TYR 278.A N ARG 197.A O no hydrogen 2.844 N/A TYR 278.A OH GLU 199.A OE1 no hydrogen 2.837 N/A LEU 279.A N PHE 288.A O no hydrogen 2.743 N/A MET 280.A N ILE 194.A O no hydrogen 3.105 N/A GLY 281.A N GLN 286.A O no hydrogen 2.744 N/A GLN 286.A N VAL 283.A O no hydrogen 2.864 N/A SER 287.A N PHE 362.A O no hydrogen 2.982 N/A SER 287.A OG PHE 362.A O no hydrogen 3.470 N/A PHE 288.A N LEU 279.A O no hydrogen 3.115 N/A ARG 289.A N GLU 359.A O no hydrogen 2.784 N/A ARG 289.A NE GLU 359.A OE2 no hydrogen 2.994 N/A ARG 289.A NH1 TYR 278.A OH no hydrogen 2.792 N/A ARG 289.A NH2 GLU 359.A OE2 no hydrogen 2.630 N/A ILE 290.A N LEU 277.A O no hydrogen 2.963 N/A THR 291.A N ALA 357.A O no hydrogen 2.891 N/A THR 291.A OG1 SER 276.A OG no hydrogen 3.045 N/A ILE 292.A N ILE 275.A O no hydrogen 2.778 N/A GLN 295.A N GLN 295.A OE1 no hydrogen 2.859 N/A GLN 295.A NE2 ASP 351.A OD1 no hydrogen 2.989 N/A GLN 296.A N LEU 293.A O no hydrogen 2.758 N/A TYR 297.A OH PRO 273.A O no hydrogen 2.604 N/A LEU 298.A N PRO 294.A O no hydrogen 2.742 N/A ARG 299.A N LYS 309.A O no hydrogen 2.902 N/A ARG 299.A NH2 GLU 327.A OE2 no hydrogen 3.229 N/A VAL 301.A N CYS 307.A O no hydrogen 2.828 N/A ASP 306.A N TRP 262.A O no hydrogen 2.681 N/A TYR 308.A N VAL 260.A O no hydrogen 2.924 N/A TYR 308.A OH THR 267.A OG1 no hydrogen 3.318 N/A LYS 309.A N ARG 299.A O no hydrogen 2.729 N/A ALA 311.A N TYR 297.A O no hydrogen 2.876 N/A SER 313.A N LEU 226.A O no hydrogen 2.994 N/A SER 315.A N LEU 228.A O no hydrogen 2.813 N/A SER 315.A OG GLY 318.A O no hydrogen 2.795 N/A THR 317.A N SER 315.A OG no hydrogen 3.023 N/A THR 317.A OG1 SER 315.A OG no hydrogen 3.163 N/A THR 319.A N LYS 216.A O no hydrogen 2.860 N/A THR 319.A OG1 TYR 212.A O no hydrogen 2.448 N/A VAL 320.A N ARG 227.A O no hydrogen 2.777 N/A MET 321.A N ILE 218.A O no hydrogen 2.891 N/A ALA 323.A N THR 223.A O no hydrogen 2.924 N/A VAL 324.A N THR 224.A O no hydrogen 3.071 N/A ILE 325.A N GLY 322.A O no hydrogen 3.031 N/A MET 326.A N GLY 322.A O no hydrogen 3.087 N/A GLU 327.A N ALA 323.A O no hydrogen 2.757 N/A PHE 329.A N MET 326.A O no hydrogen 2.927 N/A TYR 330.A N ALA 343.A O no hydrogen 2.757 N/A VAL 331.A N LEU 155.A O no hydrogen 2.849 N/A VAL 332.A N GLY 341.A O no hydrogen 2.804 N/A PHE 333.A N PHE 153.A O no hydrogen 2.710 N/A ASP 334.A N ARG 339.A O no hydrogen 2.914 N/A ARG 335.A NE ASN 151.A OD1 no hydrogen 2.939 N/A ARG 335.A NH1 TYR 191.A OH no hydrogen 2.897 N/A ARG 335.A NH2 ASP 141.A OD2 no hydrogen 3.176 N/A ALA 336.A N ASN 151.A O no hydrogen 3.010 N/A ARG 337.A N ASP 334.A O no hydrogen 3.334 N/A ARG 337.A N ASP 334.A OD1 no hydrogen 3.222 N/A LYS 338.A N ARG 335.A O no hydrogen 3.247 N/A ARG 339.A N ASP 334.A O no hydrogen 2.986 N/A ARG 339.A NE ASP 334.A OD2 no hydrogen 2.879 N/A ARG 339.A NH1 GLU 282.A OE2 no hydrogen 2.634 N/A ARG 339.A NH2 ASP 334.A OD2 no hydrogen 3.510 N/A ILE 340.A N THR 183.A O no hydrogen 2.725 N/A GLY 341.A N VAL 332.A O no hydrogen 2.855 N/A PHE 342.A N TRP 181.A O no hydrogen 2.761 N/A ALA 343.A N TYR 330.A O no hydrogen 3.051 N/A SER 345.A N GLY 328.A O no hydrogen 3.091 N/A SER 345.A OG GLY 328.A O no hydrogen 2.646 N/A ALA 346.A N LEU 175.A O no hydrogen 3.091 N/A CYS 347.A SG LEU 157.A O no hydrogen 3.957 N/A HIS 348.A N SER 345.A O no hydrogen 3.233 N/A PHE 353.A N ASP 351.A OD2 no hydrogen 3.315 N/A ARG 354.A NE ASP 351.A OD2 no hydrogen 3.272 N/A ARG 354.A NH1 PHE 272.A O no hydrogen 2.783 N/A ARG 354.A NH2 TRP 269.A O no hydrogen 3.102 N/A ARG 354.A NH2 ASP 351.A OD1 no hydrogen 3.459 N/A ALA 357.A N THR 291.A O no hydrogen 3.453 N/A GLU 359.A N ARG 289.A O no hydrogen 2.780 N/A PHE 362.A N SER 287.A O no hydrogen 2.861 N/A THR 364.A N ASN 285.A O no hydrogen 3.264 N/A CYS 370.A N MET 367.A O no hydrogen 3.412 N/A GLY 371.A N GLU 368.A O no hydrogen 3.078 N/A