Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ca3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ARG 13.A O no hydrogen 2.944 N/A LEU 6.A N GLY 11.A O no hydrogen 2.728 N/A PHE 8.A N LEU 6.A O no hydrogen 2.748 N/A ARG 13.A N VAL 4.A O no hydrogen 2.970 N/A ARG 13.A NH1 ASN 10.A O no hydrogen 3.057 N/A ARG 13.A NH1 GLU 12.A O no hydrogen 2.761 N/A ARG 13.A NH2 GLN 120.A O no hydrogen 3.094 N/A LEU 15.A N ASP 2.A O no hydrogen 2.868 N/A VAL 16.A N LEU 24.A O no hydrogen 2.837 N/A LYS 21.A N TYR 18.A O no hydrogen 2.930 N/A LYS 21.A NZ ASN 49.A O no hydrogen 2.715 N/A LYS 21.A NZ PHE 52.A O no hydrogen 2.771 N/A LYS 21.A NZ ASN 197.A OD1 no hydrogen 2.640 N/A ARG 22.A N ASP 50.A O no hydrogen 2.900 N/A ARG 22.A NE ASP 50.A OD1 no hydrogen 2.742 N/A ARG 22.A NH1 GLU 43.A OE1 no hydrogen 3.076 N/A ARG 22.A NH1 GLU 43.A OE2 no hydrogen 3.466 N/A ARG 22.A NH2 ASP 50.A OD1 no hydrogen 3.043 N/A LEU 24.A N VAL 16.A O no hydrogen 2.924 N/A ILE 25.A N GLU 35.A O no hydrogen 2.921 N/A GLY 26.A N PRO 14.A O no hydrogen 2.923 N/A LEU 27.A N GLN 33.A O no hydrogen 2.842 N/A THR 28.A N GLN 33.A O no hydrogen 3.340 N/A THR 28.A OG1 PRO 31.A O no hydrogen 2.786 N/A GLN 33.A N THR 28.A O no hydrogen 2.983 N/A GLN 33.A NE2 THR 28.A OG1 no hydrogen 2.993 N/A LEU 34.A N VAL 54.A O no hydrogen 2.778 N/A GLU 35.A N ILE 25.A O no hydrogen 2.834 N/A THR 36.A N GLY 124.A O no hydrogen 3.059 N/A THR 36.A OG1 ALA 51.A O no hydrogen 2.724 N/A THR 36.A OG1 GLY 124.A O no hydrogen 3.550 N/A VAL 40.A N PRO 37.A O no hydrogen 3.095 N/A PHE 41.A N PHE 38.A O no hydrogen 3.083 N/A ASP 42.A N SER 39.A O no hydrogen 3.136 N/A GLU 43.A N VAL 40.A O no hydrogen 2.853 N/A THR 47.A N ASN 128.A O no hydrogen 2.885 N/A THR 47.A OG1 ASN 128.A O no hydrogen 3.519 N/A ASN 49.A ND2 MET 188.A O no hydrogen 2.981 N/A ALA 51.A N PRO 48.A O no hydrogen 2.986 N/A PHE 52.A N ASN 49.A O no hydrogen 3.357 N/A VAL 54.A N LEU 34.A O no hydrogen 2.903 N/A HIS 57.A NE2 TYR 236.A OH no hydrogen 2.483 N/A ILE 61.A N ALA 59.A O no hydrogen 2.957 N/A ASP 68.A N ASP 66.A OD1 no hydrogen 2.952 N/A ALA 69.A N ASP 66.A O no hydrogen 3.119 N/A PHE 70.A N ASP 66.A O no hydrogen 3.085 N/A ARG 71.A NH1 ASP 68.A O no hydrogen 2.963 N/A ARG 71.A NH1 PHE 70.A O no hydrogen 2.900 N/A LEU 72.A N LEU 84.A O no hydrogen 2.741 N/A GLU 73.A N ASN 218.A O no hydrogen 2.874 N/A ILE 74.A N LEU 82.A O no hydrogen 2.804 N/A LYS 75.A N ILE 220.A O no hydrogen 2.852 N/A LYS 75.A NZ GLU 219.A OE2 no hydrogen 2.889 N/A LYS 75.A NZ THR 221.A OG1 no hydrogen 2.785 N/A LYS 77.A N VAL 222.A O no hydrogen 2.818 N/A LYS 77.A NZ ASP 224.A OD2 no hydrogen 3.288 N/A VAL 78.A N GLY 76.A O no hydrogen 2.832 N/A GLY 79.A N GLY 144.A O no hydrogen 2.950 N/A THR 80.A N ALA 143.A O no hydrogen 2.895 N/A LEU 82.A N ILE 74.A O no hydrogen 2.930 N/A SER 83.A OG GLU 73.A OE2 no hydrogen 2.744 N/A LEU 84.A N LEU 72.A O no hydrogen 2.829 N/A SER 85.A N ASP 88.A OD2 no hydrogen 2.981 N/A ASP 88.A N SER 85.A OG no hydrogen 2.760 N/A LEU 89.A N SER 85.A O no hydrogen 3.039 N/A LYS 90.A N LEU 86.A O no hydrogen 2.925 N/A ASN 91.A N GLN 87.A O no hydrogen 2.989 N/A ASN 91.A N ASP 88.A O no hydrogen 3.287 N/A ASP 92.A N ASP 88.A O no hydrogen 2.828 N/A SER 96.A N GLY 133.A O no hydrogen 2.784 N/A SER 96.A OG GLY 133.A O no hydrogen 3.468 N/A VAL 98.A N TRP 131.A O no hydrogen 2.985 N/A ALA 100.A N ALA 129.A O no hydrogen 2.855 N/A VAL 101.A N TYR 319.A O no hydrogen 3.009 N/A ASN 102.A N GLY 127.A O no hydrogen 2.803 N/A CYS 104.A N ALA 125.A O no hydrogen 3.031 N/A ASN 107.A N CYS 104.A O no hydrogen 3.067 N/A ASN 107.A ND2 ASN 123.A O no hydrogen 3.199 N/A SER 108.A N ALA 122.A O no hydrogen 2.742 N/A SER 108.A OG ASN 123.A OD1 no hydrogen 2.767 N/A ARG 109.A N GLY 106.A O no hydrogen 2.863 N/A ARG 109.A NE ALA 358.A O no hydrogen 2.739 N/A ARG 109.A NH1 GLY 119.A O no hydrogen 2.922 N/A ARG 109.A NH2 ALA 358.A O no hydrogen 3.029 N/A GLY 110.A N LEU 121.A O no hydrogen 2.778 N/A PHE 111.A N SER 108.A O no hydrogen 2.835 N/A VAL 112.A N ARG 109.A O no hydrogen 3.083 N/A ARG 115.A NE GLN 120.A OE1 no hydrogen 3.346 N/A ARG 115.A NH1 ALA 9.A O no hydrogen 2.938 N/A ARG 115.A NH2 GLN 120.A OE1 no hydrogen 2.827 N/A GLN 120.A NE2 VAL 116.A O no hydrogen 2.726 N/A GLN 120.A NE2 GLY 118.A O no hydrogen 2.948 N/A ALA 122.A N GLU 35.A OE1 no hydrogen 2.996 N/A GLY 124.A N GLU 35.A OE2 no hydrogen 2.965 N/A ALA 125.A N ASN 107.A OD1 no hydrogen 2.860 N/A GLY 127.A N ASN 102.A O no hydrogen 2.928 N/A ASN 128.A N THR 47.A OG1 no hydrogen 2.858 N/A ASN 128.A ND2 LEU 45.A O no hydrogen 2.857 N/A ASN 128.A ND2 SER 320.A OG no hydrogen 2.908 N/A ALA 129.A N ALA 100.A O no hydrogen 3.160 N/A ARG 130.A N ASN 189.A OD1 no hydrogen 3.057 N/A TRP 131.A N VAL 98.A O no hydrogen 2.821 N/A TRP 131.A NE1 ALA 100.A O no hydrogen 3.058 N/A ARG 132.A N SER 187.A O no hydrogen 3.041 N/A GLY 133.A N SER 96.A O no hydrogen 3.000 N/A VAL 134.A N LEU 184.A O no hydrogen 2.974 N/A LEU 136.A N VAL 182.A O no hydrogen 2.887 N/A ALA 138.A N PRO 135.A O no hydrogen 3.051 N/A LEU 140.A N LEU 136.A O no hydrogen 2.943 N/A GLU 141.A N LYS 137.A O no hydrogen 2.891 N/A LYS 142.A N ALA 138.A O no hydrogen 3.192 N/A ALA 143.A N VAL 139.A O no hydrogen 3.089 N/A GLY 144.A N LEU 140.A O no hydrogen 2.842 N/A GLN 146.A N LYS 77.A O no hydrogen 3.075 N/A ALA 149.A N GLN 146.A O no hydrogen 2.967 N/A LYS 150.A N ILE 223.A O no hydrogen 2.788 N/A GLN 151.A N ILE 223.A O no hydrogen 3.134 N/A VAL 152.A N LEU 172.A O no hydrogen 2.838 N/A THR 153.A N THR 221.A O no hydrogen 2.872 N/A PHE 154.A N LYS 170.A O no hydrogen 2.754 N/A GLY 155.A N GLU 219.A O no hydrogen 2.991 N/A LEU 157.A N HIS 216.A O no hydrogen 2.943 N/A GLY 159.A N GLY 60.A O no hydrogen 3.018 N/A THR 165.A N ILE 162.A O no hydrogen 2.980 N/A THR 165.A OG1 ILE 162.A O no hydrogen 3.206 N/A PHE 168.A N ASP 167.A OD1 no hydrogen 2.857 N/A LYS 170.A N PHE 154.A O no hydrogen 3.071 N/A LYS 170.A NZ THR 211.A OG1 no hydrogen 2.781 N/A LYS 170.A NZ TRP 231.A O no hydrogen 2.822 N/A LEU 172.A N VAL 152.A O no hydrogen 2.971 N/A ILE 174.A N LYS 150.A O no hydrogen 3.054 N/A HIS 176.A N SER 173.A OG no hydrogen 3.132 N/A ALA 177.A N SER 173.A O no hydrogen 2.910 N/A THR 178.A N ILE 174.A O no hydrogen 3.040 N/A THR 178.A OG1 ILE 174.A O no hydrogen 3.042 N/A ASP 179.A N HIS 176.A O no hydrogen 3.094 N/A GLU 181.A N ASP 179.A OD1 no hydrogen 2.797 N/A VAL 182.A N ASP 179.A OD1 no hydrogen 3.165 N/A MET 183.A N VAL 204.A O no hydrogen 2.904 N/A LEU 184.A N VAL 134.A O no hydrogen 2.801 N/A ALA 185.A N ARG 202.A O no hydrogen 2.861 N/A TYR 186.A N ARG 132.A O no hydrogen 3.025 N/A SER 187.A N ARG 132.A O no hydrogen 3.101 N/A SER 187.A OG ALA 191.A O no hydrogen 3.481 N/A MET 188.A N ALA 191.A O no hydrogen 2.822 N/A ASN 189.A N ARG 130.A O no hydrogen 2.759 N/A ASN 189.A ND2 THR 47.A O no hydrogen 2.951 N/A ASN 189.A ND2 ASN 49.A OD1 no hydrogen 2.751 N/A ALA 191.A N MET 188.A O no hydrogen 3.082 N/A TRP 195.A NE1 PRO 62.A O no hydrogen 2.837 N/A ASN 197.A N PRO 194.A O no hydrogen 2.956 N/A ASN 197.A ND2 PHE 53.A O no hydrogen 2.994 N/A GLY 198.A N TRP 195.A O no hydrogen 3.013 N/A LEU 201.A N GLY 198.A O no hydrogen 3.077 N/A ARG 202.A N ALA 185.A O no hydrogen 3.140 N/A ARG 202.A NE LEU 203.A O no hydrogen 3.362 N/A ARG 202.A NH2 TRP 213.A O no hydrogen 2.936 N/A LEU 203.A N VAL 214.A O no hydrogen 2.744 N/A VAL 204.A N MET 183.A O no hydrogen 2.860 N/A TYR 208.A N VAL 205.A O no hydrogen 3.058 N/A TYR 209.A N ASN 259.A O no hydrogen 3.129 N/A GLY 210.A N GLN 103.A O no hydrogen 2.856 N/A TYR 212.A N TYR 209.A O no hydrogen 3.417 N/A TYR 212.A OH ILE 258.A O no hydrogen 2.513 N/A TRP 213.A N GLY 210.A O no hydrogen 2.792 N/A TRP 213.A NE1 TYR 208.A O no hydrogen 2.992 N/A VAL 214.A N TYR 212.A O no hydrogen 2.823 N/A LYS 215.A NZ MET 55.A O no hydrogen 2.866 N/A LYS 215.A NZ LEU 196.A O no hydrogen 2.874 N/A HIS 216.A N GLY 198.A O no hydrogen 3.119 N/A HIS 216.A NE2 TRP 195.A O no hydrogen 3.169 N/A LEU 217.A N LEU 201.A O no hydrogen 2.847 N/A ASN 218.A N GLY 155.A O no hydrogen 3.092 N/A GLU 219.A N GLY 155.A O no hydrogen 3.193 N/A ILE 220.A N GLU 73.A O no hydrogen 2.849 N/A THR 221.A N THR 153.A O no hydrogen 3.064 N/A VAL 222.A N LYS 75.A O no hydrogen 2.883 N/A ILE 223.A N GLN 151.A O no hydrogen 2.897 N/A PHE 227.A N GLN 151.A OE1 no hydrogen 2.904 N/A TRP 231.A NE1 PRO 166.A O no hydrogen 2.927 N/A MET 232.A N GLY 229.A O no hydrogen 3.093 N/A LYS 233.A N GLY 229.A O no hydrogen 2.961 N/A THR 234.A N PHE 230.A O no hydrogen 3.005 N/A ALA 235.A N PHE 230.A O no hydrogen 3.030 N/A TYR 236.A OH HIS 57.A NE2 no hydrogen 2.483 N/A ARG 237.A NE MET 232.A O no hydrogen 3.439 N/A ARG 237.A NH1 THR 255.A OG1 no hydrogen 3.296 N/A ARG 237.A NH2 MET 232.A O no hydrogen 3.086 N/A ILE 238.A N ILE 256.A O no hydrogen 2.861 N/A ASP 240.A N ALA 254.A O no hydrogen 3.026 N/A ASN 241.A ND2 CYS 245.A O no hydrogen 2.850 N/A CYS 243.A SG ASN 241.A OD1 no hydrogen 3.552 N/A ALA 244.A N ASN 241.A O no hydrogen 3.209 N/A CYS 245.A N ASN 241.A OD1 no hydrogen 3.104 N/A THR 246.A N TRP 355.A O no hydrogen 2.901 N/A THR 246.A OG1 GLU 247.A O no hydrogen 3.519 N/A THR 246.A OG1 LYS 250.A O no hydrogen 2.643 N/A LYS 250.A N GLU 247.A O no hydrogen 2.797 N/A ILE 256.A N ILE 238.A O no hydrogen 2.964 N/A ILE 258.A N TYR 236.A O no hydrogen 2.784 N/A PHE 261.A N GLY 207.A O no hydrogen 2.893 N/A ASP 262.A N TYR 209.A OH no hydrogen 3.490 N/A ARG 264.A N PHE 288.A O no hydrogen 2.975 N/A ARG 264.A NH1 SER 108.A OG no hydrogen 2.862 N/A ARG 264.A NH2 SER 108.A OG no hydrogen 2.835 N/A PHE 266.A N ILE 286.A O no hydrogen 3.048 N/A THR 268.A N ARG 284.A O no hydrogen 2.898 N/A THR 268.A OG1 ASP 42.A OD1 no hydrogen 2.754 N/A THR 268.A OG1 ARG 284.A O no hydrogen 3.538 N/A ASN 269.A ND2 PRO 282.A O no hydrogen 3.088 N/A GLY 273.A N ARG 369.A O no hydrogen 2.660 N/A ALA 274.A N GLU 271.A O no hydrogen 2.972 N/A VAL 276.A N ILE 371.A O no hydrogen 2.964 N/A ALA 278.A N ALA 373.A O no hydrogen 3.007 N/A GLY 279.A N LEU 330.A O no hydrogen 2.779 N/A VAL 281.A N LEU 328.A O no hydrogen 2.572 N/A LEU 283.A N ALA 326.A O no hydrogen 2.680 N/A ARG 284.A N ASN 269.A OD1 no hydrogen 3.139 N/A ARG 284.A NE ASP 42.A OD1 no hydrogen 2.663 N/A ARG 284.A NH2 ASP 42.A OD1 no hydrogen 3.480 N/A ARG 284.A NH2 ASP 42.A OD2 no hydrogen 2.725 N/A GLY 285.A N TRP 324.A O no hydrogen 3.203 N/A ILE 286.A N PHE 266.A O no hydrogen 3.061 N/A ALA 287.A N ARG 322.A O no hydrogen 2.810 N/A PHE 288.A N ARG 264.A O no hydrogen 3.095 N/A GLY 291.A N ASP 289.A OD1 no hydrogen 2.913 N/A TYR 292.A N ASP 289.A OD2 no hydrogen 3.045 N/A THR 295.A N THR 342.A O no hydrogen 2.859 N/A GLN 296.A N THR 342.A O no hydrogen 3.343 N/A SER 298.A N ARG 340.A O no hydrogen 2.928 N/A SER 298.A OG GLN 296.A OE1 no hydrogen 2.589 N/A VAL 299.A N THR 308.A O no hydrogen 2.726 N/A SER 300.A N MET 338.A O no hydrogen 2.866 N/A SER 300.A OG ASP 302.A OD1 no hydrogen 2.934 N/A SER 300.A OG SER 306.A O no hydrogen 2.817 N/A ASP 302.A N SER 300.A OG no hydrogen 3.426 N/A ALA 303.A N VAL 336.A O no hydrogen 2.966 N/A GLY 304.A N SER 300.A OG no hydrogen 2.822 N/A LYS 305.A N ASP 302.A O no hydrogen 3.306 N/A SER 306.A N ASP 302.A OD1 no hydrogen 2.928 N/A SER 306.A OG ASP 302.A OD1 no hydrogen 3.485 N/A SER 306.A OG ASP 302.A OD2 no hydrogen 2.593 N/A THR 308.A N VAL 299.A O no hydrogen 2.732 N/A ALA 310.A N VAL 297.A O no hydrogen 2.870 N/A THR 311.A N LYS 325.A O no hydrogen 2.763 N/A ASP 313.A N GLY 323.A O no hydrogen 2.879 N/A LYS 318.A NZ GLU 181.A OE2 no hydrogen 3.110 N/A TYR 319.A OH GLU 181.A OE1 no hydrogen 2.355 N/A SER 320.A N GLY 317.A O no hydrogen 3.101 N/A SER 320.A OG PHE 321.A O no hydrogen 2.810 N/A ARG 322.A N ALA 287.A O no hydrogen 2.646 N/A ARG 322.A NE ASP 313.A O no hydrogen 2.805 N/A ARG 322.A NH2 ASP 313.A O no hydrogen 3.163 N/A TRP 324.A N GLY 285.A O no hydrogen 3.083 N/A LYS 325.A N THR 311.A O no hydrogen 2.808 N/A LYS 325.A NZ ASP 313.A OD1 no hydrogen 2.922 N/A ALA 326.A N LEU 283.A O no hydrogen 2.883 N/A LEU 328.A N VAL 281.A O no hydrogen 2.809 N/A LEU 330.A N GLY 279.A O no hydrogen 2.586 N/A THR 331.A OG1 HIS 335.A NE2 no hydrogen 3.233 N/A GLY 333.A N ALA 372.A O no hydrogen 2.739 N/A HIS 335.A N VAL 370.A O no hydrogen 2.981 N/A LEU 337.A N THR 368.A O no hydrogen 2.748 N/A MET 338.A N SER 300.A O no hydrogen 2.901 N/A CYS 339.A SG SER 265.A OG no hydrogen 3.199 N/A ARG 340.A N SER 298.A O no hydrogen 2.933 N/A ARG 340.A NE GLN 349.A O no hydrogen 2.823 N/A ARG 340.A NH2 GLN 349.A O no hydrogen 2.814 N/A THR 342.A N GLN 296.A O no hydrogen 2.975 N/A ASN 343.A N GLU 347.A O no hydrogen 2.963 N/A ASN 343.A ND2 ASP 289.A OD2 no hydrogen 2.842 N/A ASN 343.A ND2 GLU 347.A OE1 no hydrogen 2.777 N/A ALA 344.A N GLY 293.A O no hydrogen 2.951 N/A ARG 345.A N ASN 343.A OD1 no hydrogen 3.110 N/A ARG 345.A NE GLU 347.A OE1 no hydrogen 2.796 N/A ARG 345.A NH2 GLU 347.A OE1 no hydrogen 3.167 N/A ARG 345.A NH2 GLU 347.A OE2 no hydrogen 3.375 N/A GLY 346.A N ASN 343.A O no hydrogen 3.013 N/A GLU 347.A N ASN 343.A OD1 no hydrogen 2.904 N/A THR 348.A OG1 ALA 341.A O no hydrogen 2.981 N/A GLN 349.A N THR 348.A OG1 no hydrogen 2.681 N/A GLN 349.A NE2 SER 265.A OG no hydrogen 2.714 N/A TRP 355.A NE1 PRO 114.A O no hydrogen 3.010 N/A GLY 359.A N ASN 356.A O no hydrogen 3.087 N/A MET 361.A N SER 105.A O no hydrogen 3.053 N/A ASN 363.A ND2 VAL 263.A O no hydrogen 2.881 N/A ASN 363.A ND2 THR 348.A O no hydrogen 3.521 N/A VAL 365.A N PRO 350.A O no hydrogen 2.928 N/A THR 368.A N LEU 337.A O no hydrogen 2.773 N/A ARG 369.A NH1 ASP 334.A OD2 no hydrogen 2.908 N/A VAL 370.A N HIS 335.A O no hydrogen 2.845 N/A ILE 371.A N ALA 274.A O no hydrogen 2.910 N/A ALA 372.A N GLY 333.A O no hydrogen 2.859 N/A ALA 373.A N VAL 276.A O no hydrogen 3.078 N/A