Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4r8k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ARG 65.A O no hydrogen 2.911 N/A ARG 3.A NE GLY 159.A O no hydrogen 2.728 N/A ARG 3.A NH2 ALA 158.A O no hydrogen 3.363 N/A HIS 4.A N GLN 102.A OE1 no hydrogen 2.835 N/A HIS 4.A NE2 THR 69.A OG1 no hydrogen 3.171 N/A LEU 5.A N LEU 67.A O no hydrogen 2.792 N/A LEU 6.A N GLY 103.A O no hydrogen 3.171 N/A LEU 7.A N THR 69.A O no hydrogen 2.791 N/A ILE 8.A N VAL 105.A O no hydrogen 2.770 N/A TYR 9.A N LEU 71.A O no hydrogen 2.858 N/A TYR 9.A OH GLY 26.A O no hydrogen 3.213 N/A THR 10.A N ILE 107.A O no hydrogen 3.091 N/A THR 10.A OG1 ILE 107.A O no hydrogen 2.779 N/A GLY 15.A N GLY 12.A O no hydrogen 3.207 N/A MET 16.A N THR 13.A O no hydrogen 3.024 N/A GLN 17.A N VAL 24.A O no hydrogen 2.951 N/A LYS 19.A N VAL 22.A O no hydrogen 2.817 N/A VAL 24.A N GLN 17.A O no hydrogen 2.937 N/A GLY 28.A N GLU 72.A OE2 no hydrogen 2.999 N/A LEU 29.A N GLU 72.A OE1 no hydrogen 3.112 N/A LEU 32.A N LEU 29.A O no hydrogen 3.036 N/A LEU 33.A N LEU 29.A O no hydrogen 3.032 N/A ARG 34.A N VAL 30.A O no hydrogen 3.164 N/A THR 35.A N LEU 32.A O no hydrogen 2.985 N/A THR 35.A OG1 LEU 32.A O no hydrogen 2.743 N/A LEU 36.A N LEU 33.A O no hydrogen 3.031 N/A PHE 39.A N LEU 36.A O no hydrogen 2.787 N/A HIS 40.A N LEU 36.A O no hydrogen 2.784 N/A ASP 41.A N ALA 56.A O no hydrogen 2.738 N/A LYS 42.A NZ ARG 34.A O no hydrogen 3.513 N/A PHE 44.A N ASP 41.A OD1 no hydrogen 3.212 N/A ALA 45.A N ASP 41.A O no hydrogen 3.143 N/A GLN 46.A N LYS 42.A O no hydrogen 3.003 N/A ALA 47.A N GLU 43.A O no hydrogen 3.058 N/A GLN 48.A N ALA 45.A O no hydrogen 3.284 N/A GLY 49.A N GLN 46.A O no hydrogen 2.975 N/A LEU 50.A N ALA 45.A O no hydrogen 3.020 N/A ALA 54.A N PRO 51.A O no hydrogen 3.263 N/A LEU 55.A N TYR 68.A O no hydrogen 2.796 N/A ALA 56.A N HIS 40.A ND1 no hydrogen 3.196 N/A LEU 57.A N VAL 66.A O no hydrogen 2.923 N/A ARG 65.A N SER 1.A O no hydrogen 3.014 N/A ARG 65.A NE LEU 57.A O no hydrogen 3.178 N/A ARG 65.A NH2 ASP 41.A OD2 no hydrogen 2.411 N/A ARG 65.A NH2 LEU 57.A O no hydrogen 3.378 N/A LEU 67.A N ARG 3.A O no hydrogen 2.961 N/A TYR 68.A N LEU 55.A O no hydrogen 2.869 N/A TYR 68.A OH PHE 39.A O no hydrogen 2.650 N/A THR 69.A N LEU 5.A O no hydrogen 2.942 N/A THR 69.A OG1 HIS 4.A NE2 no hydrogen 3.171 N/A LEU 71.A N LEU 7.A O no hydrogen 2.819 N/A CYS 73.A N TYR 9.A O no hydrogen 2.973 N/A CYS 73.A SG TYR 9.A O no hydrogen 3.671 N/A LEU 77.A N THR 10.A O no hydrogen 3.030 N/A ASP 81.A N ASP 78.A O no hydrogen 2.964 N/A MET 82.A N SER 79.A O no hydrogen 3.142 N/A THR 83.A N ASP 86.A OD2 no hydrogen 2.891 N/A THR 83.A OG1 ASP 86.A OD2 no hydrogen 3.245 N/A ASP 85.A N THR 83.A OG1 no hydrogen 3.234 N/A TRP 87.A N THR 83.A O no hydrogen 3.169 N/A TRP 87.A NE1 HIS 108.A NE2 no hydrogen 3.088 N/A ILE 88.A N ILE 84.A O no hydrogen 2.851 N/A ARG 89.A N ASP 85.A O no hydrogen 2.969 N/A ARG 89.A NH2 ASP 86.A OD1 no hydrogen 3.008 N/A ILE 90.A N ASP 86.A O no hydrogen 3.070 N/A ALA 91.A N TRP 87.A O no hydrogen 2.920 N/A LYS 92.A N ILE 88.A O no hydrogen 2.824 N/A ILE 93.A N ARG 89.A O no hydrogen 2.919 N/A ILE 94.A N ILE 90.A O no hydrogen 3.091 N/A GLU 95.A N ALA 91.A O no hydrogen 2.938 N/A ARG 96.A N LYS 92.A O no hydrogen 2.897 N/A HIS 97.A N ILE 93.A O no hydrogen 3.184 N/A TYR 98.A N GLU 95.A O no hydrogen 3.199 N/A TYR 98.A OH HIS 128.A ND1 no hydrogen 2.820 N/A GLN 100.A N HIS 97.A O no hydrogen 3.164 N/A GLN 102.A N HIS 4.A O no hydrogen 2.799 N/A PHE 104.A N PRO 130.A O no hydrogen 2.945 N/A VAL 105.A N LEU 6.A O no hydrogen 3.078 N/A VAL 106.A N ILE 132.A O no hydrogen 2.880 N/A ILE 107.A N ILE 8.A O no hydrogen 2.790 N/A HIS 108.A N THR 134.A O no hydrogen 2.969 N/A HIS 108.A ND1 GLY 109.A O no hydrogen 2.741 N/A THR 112.A N SER 79.A OG no hydrogen 3.085 N/A THR 112.A OG1 SER 79.A O no hydrogen 2.645 N/A MET 113.A N THR 110.A O no hydrogen 3.169 N/A GLY 116.A N THR 112.A O no hydrogen 2.891 N/A ALA 117.A N MET 113.A O no hydrogen 2.804 N/A SER 118.A N ALA 114.A O no hydrogen 3.007 N/A SER 118.A OG ALA 114.A O no hydrogen 2.801 N/A MET 119.A N SER 115.A O no hydrogen 2.868 N/A LEU 120.A N GLY 116.A O no hydrogen 2.887 N/A SER 121.A N ALA 117.A O no hydrogen 2.934 N/A PHE 122.A N SER 118.A O no hydrogen 3.329 N/A MET 123.A N MET 119.A O no hydrogen 2.896 N/A LEU 124.A N LEU 120.A O no hydrogen 2.991 N/A GLU 125.A N VAL 223.A O no hydrogen 2.970 N/A ASN 126.A ND2 PRO 221.A O no hydrogen 2.993 N/A HIS 128.A N TYR 98.A OH no hydrogen 2.799 N/A HIS 128.A ND1 TYR 98.A OH no hydrogen 2.820 N/A HIS 128.A NE2 ASP 220.A O no hydrogen 2.706 N/A LYS 129.A NZ TYR 98.A O no hydrogen 2.540 N/A LYS 129.A NZ TYR 101.A O no hydrogen 2.743 N/A VAL 131.A N GLU 165.A O no hydrogen 3.221 N/A ILE 132.A N PHE 104.A O no hydrogen 2.836 N/A LEU 133.A N CYS 167.A O no hydrogen 2.836 N/A THR 134.A N VAL 106.A O no hydrogen 3.023 N/A THR 134.A OG1 PHE 169.A O no hydrogen 2.700 N/A GLN 137.A N ASP 146.A OD2 no hydrogen 2.868 N/A GLN 137.A NE2 ASP 184.A O no hydrogen 3.309 N/A GLN 137.A NE2 LYS 187.A O no hydrogen 2.702 N/A VAL 138.A N ASP 146.A OD1 no hydrogen 3.035 N/A ILE 140.A N LEU 14.A O no hydrogen 2.902 N/A ARG 141.A NH1 GLY 26.A O no hydrogen 3.431 N/A ARG 141.A NH2 GLY 28.A O no hydrogen 3.205 N/A VAL 142.A N PRO 139.A O no hydrogen 3.011 N/A ASN 145.A ND2 VAL 142.A O no hydrogen 2.698 N/A ARG 148.A N ASN 145.A OD1 no hydrogen 2.979 N/A ARG 148.A NH1 LEU 143.A O no hydrogen 2.978 N/A ARG 148.A NH2 LEU 143.A O no hydrogen 2.744 N/A ASN 150.A N ASP 146.A O no hydrogen 3.188 N/A ASN 150.A ND2 GLY 135.A O no hydrogen 2.956 N/A LEU 151.A N ALA 147.A O no hydrogen 2.887 N/A LEU 152.A N ARG 148.A O no hydrogen 2.999 N/A GLY 153.A N GLU 149.A O no hydrogen 2.927 N/A ALA 154.A N ASN 150.A O no hydrogen 3.032 N/A LEU 155.A N LEU 151.A O no hydrogen 3.042 N/A LEU 156.A N LEU 152.A O no hydrogen 2.894 N/A VAL 157.A N GLY 153.A O no hydrogen 2.883 N/A ALA 158.A N ALA 154.A O no hydrogen 2.954 N/A GLY 159.A N LEU 155.A O no hydrogen 2.723 N/A GLN 160.A N VAL 157.A O no hydrogen 3.355 N/A TYR 161.A N VAL 157.A O no hydrogen 3.112 N/A GLU 165.A N ILE 163.A O no hydrogen 2.924 N/A CYS 167.A N VAL 131.A O no hydrogen 2.828 N/A CYS 167.A SG GLU 165.A O no hydrogen 3.597 N/A LEU 168.A N PHE 175.A O no hydrogen 2.950 N/A PHE 169.A N LEU 133.A O no hydrogen 2.909 N/A MET 170.A N GLN 173.A O no hydrogen 3.065 N/A ASN 171.A N ASN 150.A OD1 no hydrogen 2.888 N/A GLN 173.A N MET 170.A O no hydrogen 3.034 N/A LEU 174.A N ALA 200.A O no hydrogen 2.876 N/A PHE 175.A N LEU 168.A O no hydrogen 2.821 N/A ARG 176.A NE GLU 165.A OE1 no hydrogen 2.598 N/A ARG 176.A NH1 GLY 350.A O no hydrogen 3.020 N/A ARG 176.A NH2 GLU 165.A OE2 no hydrogen 2.960 N/A ARG 176.A NH2 LEU 212.A O no hydrogen 2.945 N/A GLY 177.A N VAL 166.A O no hydrogen 2.901 N/A ASN 178.A ND2 SER 121.A OG no hydrogen 3.001 N/A ASN 178.A ND2 ARG 349.A O no hydrogen 3.027 N/A ARG 179.A N ARG 176.A O no hydrogen 2.942 N/A ARG 179.A NE GLY 350.A O no hydrogen 2.788 N/A ARG 179.A NH1 ASP 316.A OD2 no hydrogen 2.970 N/A ARG 179.A NH2 GLY 350.A O no hydrogen 3.340 N/A ARG 179.A NH2 THR 353.A OG1 no hydrogen 2.928 N/A VAL 180.A N GLY 177.A O no hydrogen 3.447 N/A THR 181.A N CYS 192.A O no hydrogen 2.942 N/A THR 181.A OG1 GLU 320.A OE2 no hydrogen 2.719 N/A LYS 182.A NZ THR 110.A OG1 no hydrogen 2.766 N/A LYS 182.A NZ ASP 111.A OD1 no hydrogen 3.093 N/A VAL 183.A N ALA 190.A O no hydrogen 2.791 N/A ASP 184.A N ALA 190.A O no hydrogen 3.209 N/A SER 185.A OG GLN 186.A OE1 no hydrogen 3.048 N/A GLN 186.A N ASP 184.A OD1 no hydrogen 2.841 N/A LYS 187.A N ASP 184.A OD1 no hydrogen 3.015 N/A CYS 192.A N THR 181.A O no hydrogen 2.958 N/A SER 193.A OG LEU 196.A O no hydrogen 2.797 N/A ASN 195.A ND2 GLY 296.A O no hydrogen 3.520 N/A ASN 195.A ND2 ASP 316.A O no hydrogen 3.045 N/A LEU 199.A N LEU 174.A O no hydrogen 2.756 N/A ALA 200.A N LEU 174.A O no hydrogen 3.158 N/A THR 201.A N THR 207.A O no hydrogen 2.889 N/A THR 201.A OG1 GLN 173.A OE1 no hydrogen 3.218 N/A VAL 202.A N SER 172.A O no hydrogen 2.923 N/A GLY 203.A N ASP 205.A O no hydrogen 2.815 N/A THR 207.A N THR 201.A O no hydrogen 2.901 N/A ALA 209.A N LEU 199.A O no hydrogen 2.842 N/A TRP 210.A N ILE 208.A O no hydrogen 2.895 N/A LEU 212.A N ALA 209.A O no hydrogen 2.893 N/A VAL 213.A N ALA 209.A O no hydrogen 3.178 N/A ARG 214.A N GLU 165.A OE2 no hydrogen 3.042 N/A ASP 220.A N LYS 217.A O no hydrogen 3.243 N/A VAL 223.A N GLU 125.A O no hydrogen 3.026 N/A HIS 225.A N MET 123.A O no hydrogen 2.870 N/A HIS 225.A NE2 GLU 125.A OE1 no hydrogen 2.691 N/A ASN 227.A N ASN 227.A OD1 no hydrogen 2.630 N/A ASN 227.A ND2 GLY 331.A O no hydrogen 3.074 N/A GLU 229.A N SER 327.A O no hydrogen 2.877 N/A HIS 230.A ND1 MET 228.A O no hydrogen 2.925 N/A HIS 230.A NE2 ASP 85.A OD1 no hydrogen 2.886 N/A ASP 231.A N GLU 229.A OE2 no hydrogen 2.897 N/A VAL 232.A N HIS 230.A O no hydrogen 2.907 N/A ALA 233.A N GLY 256.A O no hydrogen 3.030 N/A LEU 235.A N VAL 258.A O no hydrogen 2.879 N/A ARG 236.A NE GLU 260.A OE1 no hydrogen 2.671 N/A ARG 236.A NH2 GLU 260.A OE1 no hydrogen 3.054 N/A ARG 236.A NH2 GLU 260.A OE2 no hydrogen 3.279 N/A LEU 237.A N GLU 260.A O no hydrogen 3.040 N/A ILE 241.A N TYR 238.A O no hydrogen 3.070 N/A LEU 245.A N PRO 242.A O no hydrogen 3.085 N/A VAL 246.A N PRO 242.A O no hydrogen 3.144 N/A ARG 247.A N ALA 243.A O no hydrogen 2.745 N/A ARG 247.A NH1 GLU 276.A OE2 no hydrogen 2.936 N/A ALA 248.A N SER 244.A O no hydrogen 3.041 N/A PHE 249.A N LEU 245.A O no hydrogen 2.969 N/A LEU 250.A N VAL 246.A O no hydrogen 3.012 N/A GLN 251.A N ALA 248.A O no hydrogen 3.465 N/A GLN 251.A NE2 ARG 247.A O no hydrogen 3.079 N/A LEU 254.A N GLN 251.A O no hydrogen 3.196 N/A LYS 255.A N ASP 231.A O no hydrogen 2.810 N/A LYS 255.A NZ PRO 253.A O no hydrogen 2.872 N/A GLY 256.A N ASP 231.A O no hydrogen 3.295 N/A VAL 257.A N ILE 286.A O no hydrogen 2.987 N/A VAL 258.A N ALA 233.A O no hydrogen 2.862 N/A LEU 259.A N VAL 288.A O no hydrogen 2.779 N/A GLU 260.A N LEU 235.A O no hydrogen 2.863 N/A THR 261.A N CYS 290.A O no hydrogen 2.873 N/A THR 261.A OG1 ASN 289.A OD1 no hydrogen 2.570 N/A THR 261.A OG1 CYS 290.A O no hydrogen 3.371 N/A PHE 262.A N ASN 266.A O no hydrogen 2.852 N/A GLY 265.A N PHE 262.A O no hydrogen 2.901 N/A ASN 266.A N PHE 262.A O no hydrogen 2.873 N/A LYS 270.A NZ ILE 241.A O no hydrogen 2.836 N/A LEU 274.A N LYS 270.A O no hydrogen 3.114 N/A GLN 275.A N PRO 271.A O no hydrogen 2.897 N/A GLU 276.A N ASP 272.A O no hydrogen 3.226 N/A LEU 277.A N LEU 273.A O no hydrogen 3.197 N/A ARG 278.A N LEU 274.A O no hydrogen 2.914 N/A ARG 278.A NH2 GLN 275.A OE1 no hydrogen 3.347 N/A ALA 279.A N GLN 275.A O no hydrogen 2.820 N/A ALA 280.A N GLU 276.A O no hydrogen 3.086 N/A ALA 281.A N LEU 277.A O no hydrogen 2.979 N/A GLN 282.A N ARG 278.A O no hydrogen 2.881 N/A ARG 283.A N ALA 279.A O no hydrogen 3.102 N/A ARG 283.A NH2 LEU 250.A O no hydrogen 3.326 N/A GLY 284.A N ALA 281.A O no hydrogen 2.956 N/A LEU 285.A N ALA 280.A O no hydrogen 2.994 N/A ILE 286.A N LYS 255.A O no hydrogen 3.141 N/A MET 287.A N ASN 310.A O no hydrogen 2.811 N/A VAL 288.A N VAL 257.A O no hydrogen 2.911 N/A ASN 289.A N VAL 312.A O no hydrogen 2.835 N/A ASN 289.A ND2 GLY 265.A O no hydrogen 3.040 N/A CYS 290.A N LEU 259.A O no hydrogen 2.924 N/A CYS 290.A SG MET 317.A O no hydrogen 3.953 N/A SER 291.A OG GLY 263.A O no hydrogen 2.597 N/A GLN 292.A N THR 261.A O no hydrogen 2.860 N/A GLN 292.A NE2 LEU 237.A O no hydrogen 2.694 N/A GLN 292.A NE2 GLU 260.A O no hydrogen 2.873 N/A CYS 293.A N SER 291.A OG no hydrogen 2.952 N/A ARG 295.A NE PRO 194.A O no hydrogen 3.231 N/A GLY 296.A N ASN 195.A OD1 no hydrogen 3.120 N/A VAL 298.A N LEU 315.A O no hydrogen 2.978 N/A THR 299.A N SER 264.A O no hydrogen 2.862 N/A THR 299.A OG1 SER 264.A O no hydrogen 3.477 N/A TYR 302.A OH PRO 268.A O no hydrogen 2.733 N/A THR 304.A N GLY 301.A O no hydrogen 3.365 N/A THR 304.A OG1 GLY 301.A O no hydrogen 2.852 N/A LEU 306.A N ALA 303.A O no hydrogen 3.084 N/A ALA 307.A N ALA 303.A O no hydrogen 2.859 N/A GLY 308.A N THR 304.A O no hydrogen 3.030 N/A ASN 310.A N ALA 307.A O no hydrogen 3.085 N/A ASN 310.A ND2 LEU 285.A O no hydrogen 3.111 N/A ILE 311.A N GLY 308.A O no hydrogen 3.267 N/A VAL 312.A N MET 287.A O no hydrogen 2.845 N/A SER 313.A OG VAL 298.A O no hydrogen 3.266 N/A GLY 314.A N ASN 289.A O no hydrogen 2.763 N/A LEU 315.A N SER 313.A OG no hydrogen 3.060 N/A MET 317.A N GLY 314.A O no hydrogen 2.941 N/A SER 319.A OG GLU 260.A OE2 no hydrogen 2.623 N/A GLU 320.A N GLU 320.A OE1 no hydrogen 2.748 N/A ALA 321.A N THR 318.A OG1 no hydrogen 3.006 N/A ALA 322.A N THR 318.A O no hydrogen 2.975 N/A LEU 323.A N SER 319.A O no hydrogen 2.945 N/A ALA 324.A N GLU 320.A O no hydrogen 3.090 N/A LYS 325.A N ALA 321.A O no hydrogen 2.913 N/A LYS 325.A NZ LEU 344.A O no hydrogen 3.063 N/A LYS 325.A NZ LYS 346.A O no hydrogen 2.767 N/A LYS 325.A NZ GLU 351.A OE2 no hydrogen 2.726 N/A LEU 326.A N ALA 322.A O no hydrogen 3.010 N/A SER 327.A N LEU 323.A O no hydrogen 3.082 N/A SER 327.A OG GLU 229.A O no hydrogen 2.656 N/A TYR 328.A N ALA 324.A O no hydrogen 2.917 N/A VAL 329.A N LYS 325.A O no hydrogen 2.852 N/A LEU 330.A N LEU 326.A O no hydrogen 2.921 N/A GLY 331.A N SER 327.A O no hydrogen 3.106 N/A GLY 331.A N TYR 328.A O no hydrogen 3.156 N/A LEU 332.A N VAL 329.A O no hydrogen 3.237 N/A GLU 338.A N GLU 338.A OE1 no hydrogen 2.705 N/A ARG 339.A N SER 336.A OG no hydrogen 3.117 N/A ARG 339.A NH1 GLU 342.A OE1 no hydrogen 2.886 N/A ARG 340.A N SER 336.A O no hydrogen 3.216 N/A ARG 340.A NH1 VAL 329.A O no hydrogen 2.685 N/A ARG 340.A NH1 LEU 332.A O no hydrogen 3.036 N/A ARG 340.A NH2 LEU 332.A O no hydrogen 3.124 N/A GLN 341.A N LEU 337.A O no hydrogen 3.045 N/A GLU 342.A N GLU 338.A O no hydrogen 3.001 N/A LEU 343.A N ARG 339.A O no hydrogen 2.981 N/A LEU 344.A N ARG 340.A O no hydrogen 2.999 N/A ALA 345.A N GLN 341.A O no hydrogen 3.290 N/A ALA 345.A N GLU 342.A O no hydrogen 3.227 N/A LYS 346.A N LEU 343.A O no hydrogen 3.055 N/A LEU 348.A N GLU 351.A OE2 no hydrogen 3.060 N/A ARG 349.A N GLU 351.A OE1 no hydrogen 2.608 N/A ARG 349.A NE SER 121.A O no hydrogen 2.960 N/A ARG 349.A NH1 LEU 348.A O no hydrogen 3.035 N/A ARG 349.A NH2 PHE 122.A O no hydrogen 3.110 N/A ARG 349.A NH2 TYR 328.A OH no hydrogen 2.998 N/A GLY 350.A N ASP 347.A OD1 no hydrogen 2.811 N/A GLU 351.A N GLU 351.A OE1 no hydrogen 2.681 N/A MET 352.A N ASP 347.A OD1 no hydrogen 3.386 N/A THR 353.A N ASP 316.A OD1 no hydrogen 2.898 N/A THR 353.A OG1 ASP 316.A OD2 no hydrogen 3.039 N/A