Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4kib_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLN 5.A OE1 no hydrogen 2.794 N/A SER 2.A N GLN 5.A OE1 no hydrogen 3.042 N/A GLN 5.A N SER 2.A OG no hydrogen 2.927 N/A ALA 6.A N SER 2.A O no hydrogen 3.159 N/A ARG 7.A N GLU 3.A O no hydrogen 3.131 N/A ARG 8.A N ALA 4.A O no hydrogen 3.241 N/A ARG 8.A NE ARG 8.A O no hydrogen 3.159 N/A ARG 8.A NE ASP 12.A OD1 no hydrogen 3.182 N/A ARG 8.A NH2 ASP 12.A OD1 no hydrogen 3.169 N/A ALA 9.A N GLN 5.A O no hydrogen 3.013 N/A VAL 10.A N ALA 6.A O no hydrogen 2.976 N/A ALA 11.A N ARG 7.A O no hydrogen 3.007 N/A ASP 12.A N ARG 8.A O no hydrogen 2.762 N/A ILE 13.A N ALA 9.A O no hydrogen 2.963 N/A PHE 14.A N VAL 10.A O no hydrogen 2.965 N/A ASN 15.A N ALA 11.A O no hydrogen 2.747 N/A SER 16.A N ASP 12.A O no hydrogen 2.733 N/A SER 16.A OG ASP 12.A O no hydrogen 2.717 N/A THR 17.A N ILE 13.A O no hydrogen 3.372 N/A THR 17.A N PHE 14.A O no hydrogen 3.182 N/A THR 17.A OG1 ILE 13.A O no hydrogen 3.062 N/A THR 17.A OG1 PHE 14.A O no hydrogen 3.351 N/A ALA 19.A N ASN 15.A O no hydrogen 2.941 N/A SER 20.A N SER 16.A O no hydrogen 2.778 N/A SER 20.A OG ASN 96.A OD1 no hydrogen 2.884 N/A SER 21.A N THR 17.A O no hydrogen 3.236 N/A ALA 22.A N LEU 18.A O no hydrogen 3.022 N/A ILE 23.A N ALA 19.A O no hydrogen 2.915 N/A ILE 23.A N SER 20.A O no hydrogen 3.242 N/A ALA 25.A N SER 21.A O no hydrogen 3.372 N/A ALA 26.A N ALA 22.A O no hydrogen 2.652 N/A TRP 27.A N ILE 23.A O no hydrogen 3.017 N/A GLU 28.A N GLY 24.A O no hydrogen 2.897 N/A LEU 29.A N ALA 25.A O no hydrogen 2.774 N/A GLY 30.A N ALA 26.A O no hydrogen 2.951 N/A GLY 30.A N TRP 27.A O no hydrogen 3.017 N/A ALA 31.A N ALA 26.A O no hydrogen 2.877 N/A GLU 34.A N GLY 30.A O no hydrogen 3.380 N/A LEU 35.A N ALA 31.A O no hydrogen 3.007 N/A ARG 36.A N LEU 32.A O no hydrogen 2.826 N/A ARG 36.A NH1 GLU 37.A OE1 no hydrogen 3.104 N/A GLU 37.A N ASP 33.A O no hydrogen 2.799 N/A ASN 38.A N GLU 34.A O no hydrogen 2.830 N/A GLY 39.A N LEU 35.A O no hydrogen 2.648 N/A LEU 41.A N VAL 76.A O no hydrogen 2.805 N/A VAL 43.A N ALA 74.A O no hydrogen 3.247 N/A SER 44.A OG GLU 54.A OE1 no hydrogen 2.452 N/A SER 44.A OG GLU 54.A OE2 no hydrogen 3.332 N/A ASP 45.A N ASP 42.A OD1 no hydrogen 3.028 N/A PHE 46.A N ASP 42.A O no hydrogen 2.835 N/A ALA 47.A N VAL 43.A O no hydrogen 2.848 N/A VAL 48.A N SER 44.A O no hydrogen 2.848 N/A ARG 49.A N ASP 45.A O no hydrogen 2.728 N/A ARG 49.A NE ASP 45.A OD1 no hydrogen 2.897 N/A ARG 49.A NH1 GLU 34.A OE1 no hydrogen 3.135 N/A ARG 49.A NH1 GLU 34.A OE2 no hydrogen 2.621 N/A ARG 49.A NH2 GLU 34.A OE1 no hydrogen 2.798 N/A HIS 50.A N PHE 46.A O no hydrogen 2.960 N/A HIS 50.A NE2 GLU 34.A OE2 no hydrogen 2.856 N/A ASP 51.A N VAL 48.A O no hydrogen 3.116 N/A LEU 52.A N ALA 47.A O no hydrogen 2.763 N/A ALA 56.A N HIS 53.A O no hydrogen 2.946 N/A VAL 57.A N HIS 53.A O no hydrogen 3.062 N/A VAL 58.A N GLU 54.A O no hydrogen 2.919 N/A GLY 59.A N PRO 55.A O no hydrogen 3.310 N/A THR 61.A N VAL 58.A O no hydrogen 2.783 N/A THR 61.A OG1 VAL 58.A O no hydrogen 2.453 N/A ALA 62.A N GLY 59.A O no hydrogen 2.639 N/A ALA 64.A N PHE 60.A O no hydrogen 2.770 N/A SER 65.A N THR 61.A O no hydrogen 2.842 N/A SER 65.A N ALA 62.A O no hydrogen 3.226 N/A SER 65.A OG ALA 62.A O no hydrogen 2.578 N/A VAL 66.A N LEU 63.A O no hydrogen 3.355 N/A GLY 67.A N ALA 64.A O no hydrogen 3.186 N/A ILE 68.A N LEU 63.A O no hydrogen 3.151 N/A ARG 70.A N VAL 77.A O no hydrogen 2.735 N/A GLU 72.A N THR 75.A O no hydrogen 2.764 N/A THR 75.A N GLU 72.A O no hydrogen 2.810 N/A VAL 76.A N LEU 41.A O no hydrogen 2.843 N/A VAL 77.A N ARG 70.A O no hydrogen 2.870 N/A VAL 78.A N GLY 39.A O no hydrogen 2.944 N/A GLY 79.A N ILE 68.A O no hydrogen 2.965 N/A TYR 81.A N GLY 67.A O no hydrogen 3.132 N/A PHE 82.A N GLY 79.A O no hydrogen 3.224 N/A ALA 85.A N TYR 81.A O no hydrogen 3.120 N/A ASN 86.A N PHE 82.A O no hydrogen 2.793 N/A HIS 87.A N ASP 83.A O no hydrogen 2.781 N/A HIS 88.A N GLU 84.A O no hydrogen 3.086 N/A HIS 88.A ND1 TYR 137.A OH no hydrogen 2.702 N/A ARG 89.A N ASN 86.A O no hydrogen 3.381 N/A ARG 89.A NE GLU 132.A OE1 no hydrogen 2.748 N/A ARG 89.A NE GLU 132.A OE2 no hydrogen 3.484 N/A ARG 89.A NH1 ASP 33.A OD1 no hydrogen 3.132 N/A ARG 89.A NH1 ASN 86.A OD1 no hydrogen 2.940 N/A ARG 89.A NH2 GLU 132.A OE2 no hydrogen 3.068 N/A LEU 91.A N HIS 88.A O no hydrogen 3.026 N/A PHE 92.A N HIS 88.A O no hydrogen 3.450 N/A HIS 93.A N ARG 89.A O no hydrogen 2.986 N/A HIS 93.A NE2 GLU 28.A OE1 no hydrogen 2.798 N/A TRP 94.A N SER 90.A O no hydrogen 2.999 N/A LEU 95.A N LEU 91.A O no hydrogen 2.993 N/A ASN 96.A N PHE 92.A O no hydrogen 2.975 N/A GLN 97.A NE2 SER 21.A O no hydrogen 3.175 N/A GLY 98.A N HIS 93.A O no hydrogen 2.892 N/A SER 99.A OG TRP 94.A O no hydrogen 2.957 N/A GLY 100.A N ASN 96.A O no hydrogen 2.727 N/A LEU 102.A N SER 99.A O no hydrogen 2.988 N/A PHE 103.A N SER 99.A O no hydrogen 3.497 N/A ARG 104.A N GLY 100.A O no hydrogen 2.801 N/A ARG 104.A NE GLU 101.A OE2 no hydrogen 2.547 N/A ARG 104.A NH2 GLU 101.A OE1 no hydrogen 3.198 N/A ARG 104.A NH2 GLU 101.A OE2 no hydrogen 3.188 N/A ARG 105.A N GLU 101.A O no hydrogen 3.361 N/A ARG 105.A N LEU 102.A O no hydrogen 3.205 N/A ARG 105.A NH1 PHE 118.A O no hydrogen 3.130 N/A GLN 107.A N ARG 105.A O no hydrogen 2.901 N/A VAL 108.A N ARG 105.A O no hydrogen 2.889 N/A ASN 113.A N PRO 110.A O no hydrogen 3.062 N/A ASN 113.A ND2 GLN 107.A O no hydrogen 2.784 N/A ARG 114.A N ASN 111.A O no hydrogen 3.045 N/A ARG 114.A NH1 VAL 108.A O no hydrogen 2.909 N/A ARG 121.A NH1 SER 99.A OG no hydrogen 3.170 N/A ASP 122.A N GLY 98.A O no hydrogen 3.039 N/A ALA 125.A N ASP 122.A OD1 no hydrogen 3.147 N/A ILE 126.A N ASP 122.A O no hydrogen 2.950 N/A SER 127.A N ALA 123.A O no hydrogen 2.973 N/A SER 127.A OG ALA 123.A O no hydrogen 2.932 N/A TYR 128.A N GLY 124.A O no hydrogen 2.965 N/A ALA 129.A N ALA 125.A O no hydrogen 2.954 N/A CYS 130.A N ILE 126.A O no hydrogen 2.880 N/A CYS 130.A SG ILE 126.A O no hydrogen 3.238 N/A ARG 131.A N SER 127.A O no hydrogen 3.107 N/A GLU 132.A N ALA 129.A O no hydrogen 2.971 N/A ILE 133.A N ALA 129.A O no hydrogen 2.950 N/A SER 134.A N CYS 130.A O no hydrogen 2.803 N/A GLU 135.A N ARG 131.A O no hydrogen 3.332 N/A ARG 136.A N GLU 132.A O no hydrogen 2.761 N/A ARG 136.A NH1 GLU 135.A OE2 no hydrogen 3.046 N/A TYR 137.A N ILE 133.A O no hydrogen 2.863 N/A TYR 137.A OH HIS 88.A ND1 no hydrogen 2.702 N/A PHE 138.A N SER 134.A O no hydrogen 2.948 N/A ASP 139.A N SER 134.A O no hydrogen 2.852 N/A PHE 142.A N PHE 138.A O no hydrogen 2.887 N/A TRP 143.A N ASP 139.A O no hydrogen 2.828 N/A ALA 144.A N PRO 140.A O no hydrogen 3.039 N/A ALA 145.A N ALA 141.A O no hydrogen 2.928 N/A VAL 146.A N PHE 142.A O no hydrogen 2.905 N/A ASP 147.A N TRP 143.A O no hydrogen 2.913 N/A GLY 148.A N ALA 144.A O no hydrogen 2.948 N/A LEU 149.A N VAL 146.A O no hydrogen 3.379 N/A TYR 151.A OH ASP 227.A O no hydrogen 2.647 N/A THR 154.A N ASP 227.A OD1 no hydrogen 3.061 N/A THR 154.A N ASP 227.A OD2 no hydrogen 3.280 N/A THR 154.A OG1 ASP 227.A OD2 no hydrogen 2.745 N/A THR 155.A N ASP 227.A OD1 no hydrogen 3.277 N/A VAL 156.A N ARG 178.A O no hydrogen 2.875 N/A ALA 157.A N LEU 228.A O no hydrogen 3.010 N/A ASP 158.A N LEU 180.A O no hydrogen 2.829 N/A LEU 159.A N THR 230.A O no hydrogen 2.780 N/A GLY 160.A N VAL 182.A O no hydrogen 2.640 N/A SER 161.A N VAL 182.A O no hydrogen 3.031 N/A GLY 162.A N ASP 183.A OD2 no hydrogen 2.756 N/A GLY 164.A N SER 161.A O no hydrogen 2.974 N/A GLU 165.A N SER 163.A OG no hydrogen 3.198 N/A ILE 168.A N GLY 164.A O no hydrogen 3.214 N/A GLN 169.A N GLU 165.A O no hydrogen 2.797 N/A ILE 170.A N ARG 166.A O no hydrogen 2.914 N/A ALA 171.A N LEU 167.A O no hydrogen 2.816 N/A ARG 172.A N ILE 168.A O no hydrogen 2.784 N/A ARG 173.A N GLN 169.A O no hydrogen 2.969 N/A ARG 173.A NH1 ARG 173.A O no hydrogen 3.416 N/A PHE 174.A N ILE 170.A O no hydrogen 2.762 N/A VAL 177.A N PHE 174.A O no hydrogen 2.870 N/A ARG 178.A N THR 154.A O no hydrogen 2.832 N/A ARG 178.A NH1 ASP 202.A O no hydrogen 3.177 N/A GLY 179.A N GLN 203.A O no hydrogen 2.706 N/A LEU 180.A N VAL 156.A O no hydrogen 2.966 N/A GLY 181.A N SER 205.A O no hydrogen 2.922 N/A VAL 182.A N ASP 158.A O no hydrogen 2.963 N/A ASP 183.A N VAL 207.A O no hydrogen 3.169 N/A ALA 185.A N ASP 183.A OD1 no hydrogen 2.939 N/A ALA 188.A N ALA 185.A O no hydrogen 3.264 N/A ILE 189.A N ALA 185.A O no hydrogen 3.177 N/A ALA 190.A N ASP 186.A O no hydrogen 2.928 N/A GLU 192.A N ILE 189.A O no hydrogen 2.900 N/A LYS 193.A N ALA 190.A O no hydrogen 3.095 N/A VAL 195.A N ALA 191.A O no hydrogen 3.024 N/A ALA 196.A N GLU 192.A O no hydrogen 3.061 N/A ALA 197.A N LYS 193.A O no hydrogen 2.917 N/A LYS 198.A N GLU 194.A O no hydrogen 2.815 N/A LYS 198.A NZ GLU 165.A OE1 no hydrogen 2.926 N/A LYS 198.A NZ GLU 194.A OE1 no hydrogen 2.592 N/A GLY 199.A N ALA 196.A O no hydrogen 2.872 N/A PHE 200.A N VAL 195.A O no hydrogen 2.675 N/A GLN 203.A N PHE 200.A O no hydrogen 2.897 N/A ILE 204.A N PHE 200.A O no hydrogen 2.963 N/A SER 205.A N GLY 179.A O no hydrogen 2.882 N/A VAL 207.A N GLY 181.A O no hydrogen 2.818 N/A ARG 208.A NH1 ASP 186.A OD1 no hydrogen 3.071 N/A GLY 209.A N ASP 183.A O no hydrogen 3.076 N/A ARG 212.A N ASP 210.A OD1 no hydrogen 3.147 N/A ARG 212.A NE ASP 210.A OD1 no hydrogen 2.901 N/A ARG 212.A NE ASP 210.A OD2 no hydrogen 3.346 N/A ARG 212.A NH2 ASP 210.A OD2 no hydrogen 2.900 N/A THR 213.A N ASP 210.A O no hydrogen 3.019 N/A THR 213.A OG1 ASP 210.A O no hydrogen 3.343 N/A GLN 216.A N THR 213.A O no hydrogen 2.852 N/A VAL 217.A N ILE 214.A O no hydrogen 3.113 N/A ARG 220.A N VAL 217.A O no hydrogen 3.250 N/A ARG 220.A NE ASP 215.A O no hydrogen 2.781 N/A GLU 222.A N ALA 219.A O no hydrogen 2.939 N/A PHE 223.A N ARG 220.A O no hydrogen 3.106 N/A VAL 226.A N PHE 223.A O no hydrogen 3.152 N/A ASP 227.A N THR 155.A O no hydrogen 2.912 N/A LEU 228.A N THR 155.A O no hydrogen 3.326 N/A LEU 229.A N ARG 258.A O no hydrogen 3.130 N/A THR 230.A N ALA 157.A O no hydrogen 2.967 N/A THR 230.A OG1 ALA 157.A O no hydrogen 3.490 N/A THR 230.A OG1 ASP 158.A OD1 no hydrogen 2.679 N/A CYS 231.A N LEU 260.A O no hydrogen 2.885 N/A CYS 231.A SG LEU 159.A O no hydrogen 3.845 N/A HIS 234.A N ASP 263.A OD2 no hydrogen 2.923 N/A HIS 234.A ND1 ASP 263.A OD1 no hydrogen 3.129 N/A HIS 234.A ND1 ASP 263.A OD2 no hydrogen 2.751 N/A PHE 236.A N GLY 233.A O no hydrogen 2.880 N/A TRP 237.A N HIS 234.A O no hydrogen 3.047 N/A ARG 239.A NH1 GLU 303.A OE1 no hydrogen 3.252 N/A ARG 239.A NH2 GLY 299.A O no hydrogen 2.759 N/A ARG 239.A NH2 GLU 303.A OE2 no hydrogen 2.476 N/A CYS 242.A N PRO 238.A O no hydrogen 2.988 N/A VAL 243.A N ARG 239.A O no hydrogen 2.881 N/A GLN 244.A N GLU 240.A O no hydrogen 3.018 N/A THR 245.A N ASN 241.A O no hydrogen 2.825 N/A THR 245.A OG1 ARG 212.A O no hydrogen 2.970 N/A THR 245.A OG1 ASN 241.A O no hydrogen 3.220 N/A LEU 246.A N CYS 242.A O no hydrogen 2.748 N/A ARG 247.A N VAL 243.A O no hydrogen 2.953 N/A ARG 247.A NE GLU 303.A O no hydrogen 2.812 N/A ARG 247.A NH2 GLU 303.A O no hydrogen 3.210 N/A LYS 248.A N GLN 244.A O no hydrogen 2.988 N/A LEU 249.A N THR 245.A O no hydrogen 2.920 N/A ARG 250.A N LEU 246.A O no hydrogen 3.016 N/A ARG 250.A NE ARG 250.A O no hydrogen 2.897 N/A ARG 250.A NH2 PHE 253.A O no hydrogen 3.010 N/A ARG 250.A NH2 VAL 256.A O no hydrogen 2.800 N/A ALA 251.A N ARG 247.A O no hydrogen 3.044 N/A ALA 252.A N LYS 248.A O no hydrogen 2.722 N/A PHE 253.A N LEU 249.A O no hydrogen 2.766 N/A ASN 255.A ND2 ALA 224.A O no hydrogen 2.589 N/A VAL 256.A N PHE 253.A O no hydrogen 3.190 N/A ARG 257.A N ASP 227.A O no hydrogen 3.111 N/A ARG 258.A N TYR 151.A OH no hydrogen 3.130 N/A ARG 258.A NE GLU 326.A OE2 no hydrogen 2.549 N/A ARG 258.A NH1 GLY 148.A O no hydrogen 3.067 N/A ARG 258.A NH2 GLU 326.A OE2 no hydrogen 2.649 N/A PHE 259.A N LEU 325.A O no hydrogen 2.929 N/A LEU 260.A N LEU 229.A O no hydrogen 2.852 N/A LEU 261.A N PHE 323.A O no hydrogen 2.963 N/A GLY 262.A N CYS 231.A O no hydrogen 2.942 N/A ASP 263.A N VAL 321.A O no hydrogen 3.055 N/A THR 265.A N VAL 319.A O no hydrogen 2.917 N/A THR 265.A OG1 VAL 319.A O no hydrogen 2.670 N/A ARG 266.A N PRO 292.A O no hydrogen 2.882 N/A ARG 266.A NE LEU 291.A O no hydrogen 3.374 N/A ARG 266.A NH1 ASP 287.A OD2 no hydrogen 3.388 N/A ARG 266.A NH2 ASP 287.A OD1 no hydrogen 2.715 N/A THR 267.A N GLU 283.A OE2 no hydrogen 2.756 N/A THR 267.A OG1 GLU 283.A OE2 no hydrogen 2.768 N/A GLU 274.A N PRO 271.A O no hydrogen 2.674 N/A THR 279.A N VAL 277.A O no hydrogen 2.902 N/A THR 279.A OG1 SER 318.A OG no hydrogen 2.675 N/A PHE 282.A N PHE 278.A O no hydrogen 2.843 N/A GLU 283.A N THR 279.A O no hydrogen 2.954 N/A PHE 284.A N LEU 280.A O no hydrogen 2.795 N/A GLY 285.A N GLY 281.A O no hydrogen 2.906 N/A HIS 286.A N PHE 282.A O no hydrogen 3.250 N/A HIS 286.A ND1 PHE 282.A O no hydrogen 2.758 N/A ASP 287.A N GLU 283.A O no hydrogen 2.964 N/A VAL 289.A N HIS 286.A O no hydrogen 2.975 N/A TYR 290.A OH GLU 296.A OE1 no hydrogen 2.679 N/A THR 293.A N GLU 296.A OE2 no hydrogen 2.839 N/A THR 293.A OG1 GLU 296.A OE2 no hydrogen 3.366 N/A GLU 296.A N THR 293.A O no hydrogen 3.125 N/A GLU 296.A N THR 293.A OG1 no hydrogen 3.153 N/A TRP 297.A N THR 293.A O no hydrogen 3.383 N/A TRP 297.A N LEU 294.A O no hydrogen 3.064 N/A ASP 298.A N LEU 294.A O no hydrogen 3.342 N/A VAL 300.A N TRP 297.A O no hydrogen 2.949 N/A GLY 304.A N VAL 300.A O no hydrogen 2.832 N/A GLY 305.A N GLU 302.A O no hydrogen 2.949 N/A TRP 306.A N PHE 301.A O no hydrogen 2.868 N/A TRP 306.A NE1 LEU 246.A O no hydrogen 3.065 N/A ARG 307.A N GLU 326.A O no hydrogen 2.880 N/A ARG 307.A NH1 GLU 326.A OE1 no hydrogen 3.251 N/A CYS 308.A SG LYS 310.A O no hydrogen 3.781 N/A CYS 308.A SG GLU 324.A O no hydrogen 3.972 N/A VAL 309.A N GLU 324.A O no hydrogen 2.808 N/A LYS 310.A N GLU 324.A O no hydrogen 3.456 N/A LYS 311.A NZ ASP 298.A OD1 no hydrogen 2.910 N/A HIS 312.A N VAL 322.A O no hydrogen 2.835 N/A HIS 312.A NE2 GLU 324.A OE2 no hydrogen 2.681 N/A ILE 314.A N SER 320.A O no hydrogen 3.188 N/A SER 316.A OG ASP 315.A O no hydrogen 2.607 N/A SER 318.A OG THR 279.A OG1 no hydrogen 2.675 N/A SER 320.A OG LEU 317.A O no hydrogen 2.660 N/A VAL 321.A N ASP 263.A O no hydrogen 2.934 N/A VAL 322.A N HIS 312.A O no hydrogen 3.019 N/A PHE 323.A N LEU 261.A O no hydrogen 2.659 N/A GLU 324.A N LYS 310.A O no hydrogen 2.785 N/A LEU 325.A N PHE 259.A O no hydrogen 2.873 N/A GLU 326.A N ARG 307.A O no hydrogen 2.924 N/A