Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ ALA 2.A O no hydrogen 3.438 N/A ILE 5.A N VAL 12.A O no hydrogen 2.683 N/A TRP 6.A N ILE 118.A O no hydrogen 3.161 N/A PHE 7.A N GLU 10.A O no hydrogen 2.805 N/A ASN 8.A N VAL 116.A O no hydrogen 2.882 N/A ASN 8.A ND2 ASP 115.A OD1 no hydrogen 3.102 N/A GLU 10.A N PHE 7.A O no hydrogen 3.143 N/A VAL 12.A N ILE 5.A O no hydrogen 2.933 N/A ARG 13.A NE ASP 16.A OD2 no hydrogen 3.000 N/A ARG 13.A NH2 ASP 16.A OD1 no hydrogen 3.473 N/A ARG 13.A NH2 ASP 16.A OD2 no hydrogen 3.326 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.755 N/A ASP 16.A N ARG 13.A O no hydrogen 2.921 N/A ALA 17.A N TRP 14.A O no hydrogen 3.180 N/A LYS 18.A N ASP 16.A O no hydrogen 2.891 N/A SER 23.A N HIS 20.A O no hydrogen 3.001 N/A SER 23.A OG HIS 20.A O no hydrogen 2.852 N/A HIS 24.A N GLY 100.A O no hydrogen 2.974 N/A HIS 24.A NE2 VAL 106.A O no hydrogen 2.940 N/A ALA 25.A N VAL 99.A O no hydrogen 2.963 N/A LEU 26.A N SER 23.A O no hydrogen 2.992 N/A HIS 27.A N HIS 24.A O no hydrogen 2.987 N/A HIS 27.A ND1 SER 23.A O no hydrogen 3.330 N/A TYR 28.A N HIS 24.A O no hydrogen 2.867 N/A TYR 28.A OH MET 104.A O no hydrogen 2.546 N/A GLY 29.A N ALA 25.A O no hydrogen 3.206 N/A SER 31.A N GLY 29.A O no hydrogen 2.886 N/A VAL 32.A N ILE 97.A O no hydrogen 2.830 N/A PHE 33.A N LYS 149.A O no hydrogen 3.070 N/A GLU 34.A N PRO 95.A O no hydrogen 3.128 N/A ILE 36.A N ILE 93.A O no hydrogen 2.999 N/A ARG 37.A NH1 CYS 38.A O no hydrogen 2.761 N/A ARG 37.A NH1 ALA 91.A O no hydrogen 2.598 N/A CYS 38.A N ALA 91.A O no hydrogen 2.824 N/A CYS 38.A SG THR 89.A O no hydrogen 3.400 N/A TYR 39.A N VAL 46.A O no hydrogen 2.773 N/A TYR 39.A OH GLU 250.A OE1 no hydrogen 2.880 N/A SER 41.A N GLY 44.A O no hydrogen 3.042 N/A SER 41.A OG GLY 44.A O no hydrogen 2.655 N/A HIS 42.A N PHE 282.A O no hydrogen 3.082 N/A LYS 43.A N SER 41.A OG no hydrogen 3.072 N/A GLY 44.A N SER 41.A O no hydrogen 3.052 N/A VAL 46.A N TYR 39.A O no hydrogen 2.759 N/A VAL 47.A N ASP 294.A O no hydrogen 2.828 N/A PHE 48.A N ARG 37.A O no hydrogen 3.040 N/A ARG 49.A N TRP 292.A O no hydrogen 2.690 N/A ARG 49.A NE GLU 52.A OE1 no hydrogen 3.117 N/A ARG 49.A NH1 ILE 210.A O no hydrogen 3.203 N/A ARG 49.A NH1 ASP 213.A OD2 no hydrogen 2.765 N/A ARG 49.A NH2 GLU 52.A OE1 no hydrogen 3.288 N/A ARG 49.A NH2 ASP 213.A OD2 no hydrogen 3.004 N/A HIS 50.A ND1 ASP 294.A OD2 no hydrogen 2.914 N/A ARG 51.A NH1 ASP 73.A OD1 no hydrogen 2.895 N/A ARG 51.A NH2 ASP 73.A OD1 no hydrogen 3.538 N/A GLU 52.A N GLU 52.A OE2 no hydrogen 2.725 N/A HIS 53.A N ARG 49.A O no hydrogen 3.209 N/A HIS 53.A ND1 ARG 49.A O no hydrogen 3.055 N/A MET 54.A N HIS 50.A O no hydrogen 3.186 N/A GLN 55.A N ARG 51.A O no hydrogen 2.910 N/A ARG 56.A N GLU 52.A O no hydrogen 3.005 N/A ARG 56.A NE GLU 34.A OE1 no hydrogen 2.867 N/A ARG 56.A NH1 PRO 208.A O no hydrogen 2.994 N/A ARG 56.A NH2 GLU 34.A OE2 no hydrogen 2.911 N/A LEU 57.A N HIS 53.A O no hydrogen 2.950 N/A HIS 58.A N MET 54.A O no hydrogen 3.169 N/A ASP 59.A N GLN 55.A O no hydrogen 2.975 N/A SER 60.A N ARG 56.A O no hydrogen 2.832 N/A SER 60.A OG ARG 56.A O no hydrogen 2.948 N/A ALA 61.A N LEU 57.A O no hydrogen 3.193 N/A LYS 62.A N HIS 58.A O no hydrogen 2.932 N/A ILE 63.A N ASP 59.A O no hydrogen 3.159 N/A ARG 65.A N LYS 62.A O no hydrogen 3.102 N/A PHE 66.A N ALA 61.A O no hydrogen 2.873 N/A SER 71.A N GLU 74.A OE2 no hydrogen 2.881 N/A SER 71.A OG GLU 74.A OE2 no hydrogen 3.040 N/A GLU 74.A N SER 71.A OG no hydrogen 3.413 N/A LEU 75.A N SER 71.A O no hydrogen 3.072 N/A MET 76.A N ILE 72.A O no hydrogen 2.982 N/A GLU 77.A N ASP 73.A O no hydrogen 2.946 N/A ALA 78.A N GLU 74.A O no hydrogen 2.967 N/A CYS 79.A N LEU 75.A O no hydrogen 3.010 N/A CYS 79.A SG HIS 50.A NE2 no hydrogen 3.528 N/A ARG 80.A N MET 76.A O no hydrogen 3.190 N/A ARG 80.A NE ASP 294.A OD2 no hydrogen 3.160 N/A ARG 80.A NH2 ASP 294.A OD1 no hydrogen 3.405 N/A ARG 80.A NH2 ASP 294.A OD2 no hydrogen 3.309 N/A ASP 81.A N GLU 77.A O no hydrogen 2.939 N/A VAL 82.A N ALA 78.A O no hydrogen 3.008 N/A ILE 83.A N CYS 79.A O no hydrogen 3.160 N/A ARG 84.A N ARG 80.A O no hydrogen 2.950 N/A ARG 84.A NH1 GLU 77.A OE2 no hydrogen 3.482 N/A ARG 84.A NH2 GLU 77.A OE2 no hydrogen 3.500 N/A ARG 84.A NH2 VAL 296.A O no hydrogen 2.830 N/A LYS 85.A N ASP 81.A O no hydrogen 2.792 N/A ASN 86.A N VAL 82.A O no hydrogen 3.158 N/A ASN 86.A ND2 TYR 4.A O no hydrogen 3.103 N/A ASN 86.A ND2 VAL 82.A O no hydrogen 3.056 N/A ASN 87.A N ARG 84.A O no hydrogen 2.803 N/A LEU 88.A N ILE 83.A O no hydrogen 3.017 N/A SER 90.A OG TRP 123.A O no hydrogen 3.411 N/A ALA 91.A N CYS 38.A O no hydrogen 3.005 N/A TYR 92.A N PHE 121.A O no hydrogen 2.890 N/A ILE 93.A N ILE 36.A O no hydrogen 2.753 N/A ARG 94.A N ALA 119.A O no hydrogen 2.706 N/A ARG 94.A NH1 GLU 34.A O no hydrogen 2.691 N/A ARG 94.A NH1 TYR 92.A OH no hydrogen 2.949 N/A LEU 96.A N ILE 117.A O no hydrogen 2.763 N/A ILE 97.A N VAL 32.A O no hydrogen 2.861 N/A PHE 98.A N ASP 115.A O no hydrogen 2.904 N/A VAL 99.A N THR 30.A O no hydrogen 3.190 N/A TYR 112.A N PRO 109.A O no hydrogen 3.275 N/A THR 114.A OG1 PRO 67.A O no hydrogen 2.728 N/A ASP 115.A N PHE 98.A O no hydrogen 2.879 N/A VAL 116.A N ASN 8.A OD1 no hydrogen 3.116 N/A ILE 117.A N LEU 96.A O no hydrogen 2.947 N/A ILE 118.A N TRP 6.A O no hydrogen 2.906 N/A ALA 119.A N ARG 94.A O no hydrogen 3.155 N/A PHE 121.A N TYR 92.A O no hydrogen 3.081 N/A TRP 123.A N SER 90.A O no hydrogen 3.269 N/A LEU 125.A N GLU 126.A OE2 no hydrogen 3.085 N/A ILE 129.A N PRO 253.A O no hydrogen 2.889 N/A ASP 130.A N GLN 170.A OE1 no hydrogen 2.861 N/A ALA 131.A N SER 256.A O no hydrogen 2.930 N/A MET 132.A N GLU 171.A O no hydrogen 3.185 N/A VAL 133.A N ASP 258.A OD1 no hydrogen 2.851 N/A SER 134.A N ILE 173.A O no hydrogen 2.881 N/A SER 134.A OG GLU 163.A OE1 no hydrogen 2.953 N/A SER 135.A N GLU 163.A OE1 no hydrogen 2.967 N/A SER 135.A OG GLU 163.A OE2 no hydrogen 2.687 N/A TRP 136.A N SER 134.A OG no hydrogen 3.057 N/A ASN 137.A ND2 LEU 175.A O no hydrogen 3.512 N/A ARG 138.A N LEU 175.A O no hydrogen 3.048 N/A ARG 138.A NE SER 182.A OG no hydrogen 3.186 N/A ARG 138.A NE SER 205.A O no hydrogen 2.896 N/A ARG 138.A NH2 SER 205.A O no hydrogen 2.810 N/A THR 143.A N ALA 140.A O no hydrogen 3.343 N/A THR 143.A OG1 ALA 140.A O no hydrogen 2.603 N/A ILE 144.A N THR 143.A OG1 no hydrogen 2.630 N/A LYS 149.A N SER 60.A OG no hydrogen 3.158 N/A GLY 151.A N SER 31.A O no hydrogen 2.823 N/A GLY 152.A N GLY 29.A O no hydrogen 3.256 N/A ASN 153.A N ALA 150.A O no hydrogen 3.217 N/A TYR 154.A N GLY 151.A O no hydrogen 2.970 N/A LEU 155.A N GLY 152.A O no hydrogen 3.533 N/A SER 156.A N ASN 153.A O no hydrogen 3.184 N/A SER 157.A OG ALA 185.A O no hydrogen 2.562 N/A LEU 158.A N TYR 154.A O no hydrogen 2.929 N/A LEU 159.A N LEU 155.A O no hydrogen 3.111 N/A VAL 160.A N SER 156.A O no hydrogen 2.992 N/A GLY 161.A N SER 157.A O no hydrogen 2.888 N/A SER 162.A N LEU 158.A O no hydrogen 2.889 N/A SER 162.A OG LEU 158.A O no hydrogen 2.832 N/A SER 162.A OG LEU 159.A O no hydrogen 3.437 N/A GLU 163.A N LEU 159.A O no hydrogen 3.313 N/A ALA 164.A N VAL 160.A O no hydrogen 3.466 N/A ARG 165.A N GLY 161.A O no hydrogen 3.210 N/A ARG 165.A NH1 GLY 161.A O no hydrogen 3.394 N/A ARG 166.A N SER 162.A O no hydrogen 2.953 N/A HIS 167.A N GLU 163.A O no hydrogen 3.320 N/A HIS 167.A N ALA 164.A O no hydrogen 3.269 N/A GLY 168.A N ARG 165.A O no hydrogen 3.091 N/A TYR 169.A N ALA 164.A O no hydrogen 2.855 N/A GLN 170.A N ASP 130.A O no hydrogen 2.902 N/A GLY 172.A N GLU 171.A OE1 no hydrogen 3.026 N/A ILE 173.A N MET 132.A O no hydrogen 2.786 N/A ALA 174.A N GLU 183.A O no hydrogen 2.811 N/A ASP 176.A N TYR 180.A O no hydrogen 2.769 N/A ASN 178.A N ASP 176.A OD1 no hydrogen 2.907 N/A ASN 178.A ND2 ASP 176.A OD2 no hydrogen 2.895 N/A GLY 179.A N ASP 176.A O no hydrogen 3.196 N/A TYR 180.A N ASP 176.A OD1 no hydrogen 2.926 N/A ILE 181.A N LEU 231.A O no hydrogen 2.946 N/A SER 182.A N ALA 174.A O no hydrogen 2.973 N/A SER 182.A OG SER 204.A O no hydrogen 2.740 N/A GLU 183.A N ALA 174.A O no hydrogen 3.386 N/A GLY 184.A N GLU 187.A O no hydrogen 2.785 N/A ALA 185.A N GLY 172.A O no hydrogen 3.019 N/A GLY 186.A N GLU 187.A OE1 no hydrogen 2.932 N/A ASN 188.A N SER 245.A O no hydrogen 2.935 N/A PHE 190.A N PHE 243.A O no hydrogen 2.884 N/A GLU 191.A N PHE 198.A O no hydrogen 2.875 N/A VAL 192.A N GLU 241.A O no hydrogen 2.784 N/A LYS 193.A N VAL 196.A O no hydrogen 3.020 N/A LYS 193.A NZ LEU 238.A O no hydrogen 2.879 N/A LEU 197.A N GLU 225.A O no hydrogen 2.937 N/A PHE 198.A N GLU 191.A O no hydrogen 2.726 N/A THR 199.A N ARG 227.A O no hydrogen 3.180 N/A SER 204.A N PRO 201.A O no hydrogen 3.105 N/A SER 205.A OG ALA 139.A O no hydrogen 2.739 N/A ALA 206.A N PHE 202.A O no hydrogen 3.231 N/A LEU 207.A N GLU 183.A OE1 no hydrogen 3.017 N/A ARG 212.A NH2 PRO 200.A O no hydrogen 3.103 N/A ARG 212.A NH2 GLU 228.A OE2 no hydrogen 3.196 N/A ASP 213.A N GLY 209.A O no hydrogen 3.042 N/A ALA 214.A N ILE 210.A O no hydrogen 3.144 N/A ILE 215.A N THR 211.A O no hydrogen 2.934 N/A ILE 216.A N ARG 212.A O no hydrogen 3.104 N/A LYS 217.A N ASP 213.A O no hydrogen 3.071 N/A LYS 217.A NZ ASP 213.A OD2 no hydrogen 3.110 N/A LEU 218.A N ALA 214.A O no hydrogen 2.880 N/A ALA 219.A N ILE 215.A O no hydrogen 2.829 N/A LYS 220.A N ILE 216.A O no hydrogen 3.204 N/A GLU 221.A N LYS 217.A O no hydrogen 3.200 N/A LEU 222.A N LEU 218.A O no hydrogen 3.013 N/A GLY 223.A N LYS 220.A O no hydrogen 3.105 N/A ILE 224.A N ALA 219.A O no hydrogen 2.844 N/A ARG 227.A N LEU 197.A O no hydrogen 2.774 N/A ARG 227.A NE GLU 225.A OE1 no hydrogen 2.971 N/A ARG 227.A NH2 GLU 225.A OE1 no hydrogen 3.232 N/A ARG 227.A NH2 GLU 225.A OE2 no hydrogen 3.526 N/A GLN 229.A N THR 199.A O no hydrogen 2.964 N/A ARG 233.A NH1 TYR 237.A OH no hydrogen 3.107 N/A GLU 234.A N GLU 234.A OE2 no hydrogen 2.950 N/A SER 235.A N SER 232.A O no hydrogen 3.299 N/A SER 235.A OG GLU 191.A OE1 no hydrogen 2.798 N/A SER 235.A OG GLU 191.A OE2 no hydrogen 3.273 N/A SER 235.A OG SER 232.A O no hydrogen 2.585 N/A LEU 236.A N ARG 233.A O no hydrogen 3.136 N/A TYR 237.A N GLU 234.A O no hydrogen 2.831 N/A TYR 237.A OH ASP 258.A OD2 no hydrogen 2.633 N/A LEU 238.A N GLU 234.A O no hydrogen 3.300 N/A LEU 238.A N SER 235.A O no hydrogen 3.303 N/A ALA 239.A N SER 235.A O no hydrogen 2.922 N/A ASP 240.A N VAL 192.A O no hydrogen 2.805 N/A GLU 241.A N VAL 192.A O no hydrogen 3.134 N/A PHE 243.A N PHE 190.A O no hydrogen 3.080 N/A MET 244.A N THR 252.A O no hydrogen 2.806 N/A SER 245.A N ASN 188.A O no hydrogen 2.941 N/A GLY 246.A N GLU 250.A O no hydrogen 3.122 N/A THR 247.A OG1 GLY 35.A O no hydrogen 3.301 N/A THR 247.A OG1 HIS 53.A NE2 no hydrogen 3.412 N/A THR 252.A N MET 244.A O no hydrogen 2.944 N/A THR 252.A OG1 ALA 249.A O no hydrogen 2.809 N/A VAL 254.A N VAL 242.A O no hydrogen 2.803 N/A ARG 255.A N ILE 129.A O no hydrogen 2.899 N/A ARG 255.A NE GLY 128.A O no hydrogen 3.215 N/A SER 256.A OG ASP 130.A OD1 no hydrogen 2.603 N/A VAL 257.A N ILE 260.A O no hydrogen 2.891 N/A ASP 258.A N ALA 131.A O no hydrogen 2.871 N/A ILE 260.A N VAL 257.A O no hydrogen 2.893 N/A VAL 262.A N ARG 255.A O no hydrogen 2.830 N/A GLY 265.A N VAL 262.A O no hydrogen 3.215 N/A CYS 267.A SG GLY 268.A O no hydrogen 3.930 N/A CYS 267.A SG GLN 275.A OE1 no hydrogen 3.606 N/A VAL 270.A N GLU 241.A OE2 no hydrogen 2.964 N/A THR 271.A N GLU 241.A OE1 no hydrogen 2.810 N/A THR 271.A OG1 GLU 241.A OE1 no hydrogen 2.595 N/A LYS 272.A N GLY 268.A O no hydrogen 3.022 N/A ARG 273.A N PRO 269.A O no hydrogen 3.069 N/A ARG 273.A NH2 LEU 222.A O no hydrogen 3.168 N/A ILE 274.A N VAL 270.A O no hydrogen 3.095 N/A GLN 275.A N THR 271.A O no hydrogen 2.900 N/A GLN 275.A NE2 LEU 125.A O no hydrogen 3.029 N/A GLN 275.A NE2 ILE 251.A O no hydrogen 3.145 N/A GLN 276.A N LYS 272.A O no hydrogen 2.927 N/A ALA 277.A N ARG 273.A O no hydrogen 3.062 N/A PHE 278.A N ILE 274.A O no hydrogen 2.900 N/A PHE 279.A N GLN 275.A O no hydrogen 2.874 N/A GLY 280.A N GLN 276.A O no hydrogen 2.816 N/A LEU 281.A N PHE 278.A O no hydrogen 3.188 N/A PHE 282.A N PHE 279.A O no hydrogen 3.142 N/A THR 283.A N GLY 280.A O no hydrogen 3.206 N/A GLY 284.A N GLY 280.A O no hydrogen 2.996 N/A THR 286.A N GLY 280.A O no hydrogen 3.030 N/A THR 286.A OG1 ALA 277.A O no hydrogen 2.856 N/A LYS 289.A N GLU 287.A O no hydrogen 2.950 N/A LYS 289.A NZ GLU 221.A OE2 no hydrogen 3.013 N/A GLY 291.A N ASP 288.A OD1 no hydrogen 2.904 N/A TRP 292.A N ASP 288.A OD1 no hydrogen 2.958 N/A LEU 293.A N ASP 288.A OD2 no hydrogen 3.084 N/A ASP 294.A N VAL 47.A O no hydrogen 3.133 N/A GLN 295.A NE2 ASN 297.A O no hydrogen 3.532 N/A VAL 296.A N PRO 45.A O no hydrogen 3.334 N/A GLN 298.A NE2 ASP 294.A OD1 no hydrogen 3.211 N/A