Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f4n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N HIS 209.A O no hydrogen 2.767 N/A LEU 5.A N ASP 39.A OD2 no hydrogen 2.594 N/A GLY 6.A N LEU 211.A O no hydrogen 2.880 N/A VAL 7.A N GLY 40.A O no hydrogen 2.859 N/A ASN 8.A N ILE 213.A O no hydrogen 3.097 N/A ASN 8.A ND2 ASP 10.A OD2 no hydrogen 3.183 N/A ILE 9.A N THR 42.A O no hydrogen 3.112 N/A ASP 10.A N ASN 8.A OD1 no hydrogen 2.588 N/A HIS 11.A ND1 THR 14.A OG1 no hydrogen 3.152 N/A ILE 12.A N ILE 9.A O no hydrogen 3.267 N/A ALA 13.A N ASP 10.A O no hydrogen 2.812 N/A THR 14.A N ASP 10.A O no hydrogen 2.955 N/A THR 14.A OG1 HIS 11.A ND1 no hydrogen 3.152 N/A LEU 15.A N HIS 11.A O no hydrogen 3.225 N/A ARG 16.A N ILE 12.A O no hydrogen 3.206 N/A ARG 16.A NE ASN 17.A OD1 no hydrogen 3.070 N/A ARG 16.A NH1 ASP 56.A OD2 no hydrogen 2.830 N/A ARG 16.A NH2 ASN 17.A OD1 no hydrogen 3.257 N/A ARG 16.A NH2 HIS 51.A O no hydrogen 3.438 N/A ARG 16.A NH2 ASP 56.A OD1 no hydrogen 2.762 N/A ARG 16.A NH2 ASP 56.A OD2 no hydrogen 3.530 N/A ASN 17.A N ALA 13.A O no hydrogen 2.685 N/A ASN 17.A ND2 ARG 50.A O no hydrogen 2.864 N/A ASN 17.A ND2 HIS 51.A O no hydrogen 2.981 N/A ALA 18.A N THR 14.A O no hydrogen 3.313 N/A ARG 19.A N ARG 16.A O no hydrogen 3.006 N/A THR 21.A OG1 TYR 23.A O no hydrogen 2.779 N/A VAL 27.A N ASP 25.A OD1 no hydrogen 2.908 N/A GLN 28.A N ASP 25.A O no hydrogen 2.876 N/A ALA 29.A N ASP 25.A O no hydrogen 3.354 N/A ALA 30.A N PRO 26.A O no hydrogen 3.041 N/A PHE 31.A N VAL 27.A O no hydrogen 3.495 N/A ILE 32.A N GLN 28.A O no hydrogen 3.109 N/A ALA 33.A N ALA 29.A O no hydrogen 2.637 N/A GLU 34.A N ALA 30.A O no hydrogen 3.119 N/A GLN 35.A N PHE 31.A O no hydrogen 3.118 N/A ALA 36.A N ALA 33.A O no hydrogen 3.252 N/A GLY 37.A N GLU 34.A O no hydrogen 3.391 N/A ALA 38.A N ALA 33.A O no hydrogen 2.845 N/A ASP 39.A N LEU 5.A O no hydrogen 2.807 N/A GLY 40.A N LEU 5.A O no hydrogen 3.252 N/A ILE 41.A N ARG 67.A O no hydrogen 3.067 N/A THR 42.A N VAL 7.A O no hydrogen 2.838 N/A THR 42.A OG1 ASN 212.A OD1 no hydrogen 3.340 N/A VAL 43.A N ASN 69.A O no hydrogen 2.990 N/A HIS 44.A N ASP 10.A OD1 no hydrogen 2.924 N/A HIS 44.A NE2 GLU 95.A OE2 no hydrogen 2.731 N/A LEU 45.A N GLU 71.A O no hydrogen 3.179 N/A ARG 46.A NE.A HIS 51.A NE2 no hydrogen 2.873 N/A ARG 46.A NE.B ASP 48.A OD1 no hydrogen 3.046 N/A ARG 46.A NH1.B ASP 48.A OD2 no hydrogen 3.218 N/A ARG 46.A NH2.A HIS 51.A NE2 no hydrogen 3.503 N/A GLU 47.A N GLU 95.A OE1 no hydrogen 3.258 N/A ARG 49.A N ARG 46.A O.A no hydrogen 2.760 N/A ARG 49.A N ARG 46.A O.B no hydrogen 2.757 N/A ARG 49.A NE ASP 54.A OD2 no hydrogen 3.377 N/A ARG 49.A NH1 GLU 47.A O no hydrogen 2.805 N/A ARG 49.A NH1 GLU 77.A OE1 no hydrogen 3.349 N/A ARG 49.A NH1 GLU 77.A OE2 no hydrogen 3.284 N/A ARG 49.A NH2 ASP 54.A OD1 no hydrogen 2.919 N/A ARG 49.A NH2 GLU 77.A OE1 no hydrogen 3.168 N/A ARG 50.A N ASP 48.A OD1 no hydrogen 2.965 N/A ILE 52.A N HIS 51.A ND1 no hydrogen 2.823 N/A THR 53.A N ASP 56.A OD1 no hydrogen 2.688 N/A ARG 55.A NH1 ASP 25.A OD2 no hydrogen 2.660 N/A ARG 55.A NH2 ASP 25.A OD1 no hydrogen 2.805 N/A ARG 55.A NH2 ASP 25.A OD2 no hydrogen 3.312 N/A ARG 55.A NH2 ASP 56.A OD2 no hydrogen 3.106 N/A ASP 56.A N THR 53.A OG1 no hydrogen 3.208 N/A VAL 57.A N THR 53.A O no hydrogen 2.992 N/A ARG 58.A N ASP 54.A O no hydrogen 3.026 N/A ILE 59.A N ARG 55.A O no hydrogen 3.215 N/A LEU 60.A N ASP 56.A O no hydrogen 2.700 N/A ARG 61.A N VAL 57.A O no hydrogen 3.055 N/A ARG 61.A NE ILE 85.A O no hydrogen 2.937 N/A ARG 61.A NE LYS 86.A O no hydrogen 3.021 N/A ARG 61.A NH1 ARG 61.A O no hydrogen 3.034 N/A ARG 61.A NH2 LYS 86.A O no hydrogen 3.048 N/A GLN 62.A N ILE 59.A O no hydrogen 2.706 N/A THR 63.A N LEU 60.A O no hydrogen 2.792 N/A THR 63.A OG1 LEU 60.A O no hydrogen 3.509 N/A ILE 64.A N LEU 60.A O no hydrogen 2.661 N/A GLN 65.A N GLU 34.A OE1 no hydrogen 3.108 N/A THR 66.A N GLU 34.A OE2 no hydrogen 2.714 N/A THR 66.A OG1 GLU 34.A OE2 no hydrogen 2.687 N/A THR 66.A OG1 ARG 67.A O no hydrogen 3.524 N/A ARG 67.A NH1 GLU 210.A OE1 no hydrogen 2.837 N/A ARG 67.A NH2 ASP 39.A O no hydrogen 3.231 N/A ARG 67.A NH2 GLU 210.A OE1 no hydrogen 3.051 N/A ASN 69.A N ILE 41.A O no hydrogen 2.602 N/A ASN 69.A ND2 THR 42.A OG1 no hydrogen 3.301 N/A LEU 70.A N PHE 89.A O no hydrogen 2.828 N/A GLU 71.A N VAL 43.A O no hydrogen 2.821 N/A MET 72.A N CYS 91.A O no hydrogen 3.154 N/A THR 75.A N ALA 73.A O no hydrogen 2.808 N/A MET 78.A N THR 75.A O no hydrogen 3.004 N/A MET 78.A N THR 75.A OG1 no hydrogen 3.369 N/A VAL 79.A N THR 75.A O no hydrogen 2.774 N/A ASP 80.A N ASP 76.A O no hydrogen 3.050 N/A ILE 81.A N GLU 77.A O no hydrogen 3.253 N/A ALA 82.A N MET 78.A O no hydrogen 2.822 N/A CYS 83.A N VAL 79.A O no hydrogen 2.911 N/A CYS 83.A SG VAL 79.A O no hydrogen 3.204 N/A CYS 83.A SG ARG 121.A O no hydrogen 3.491 N/A ASP 84.A N ASP 80.A O no hydrogen 2.855 N/A ASP 84.A N ILE 81.A O no hydrogen 2.866 N/A ILE 85.A N ILE 81.A O no hydrogen 2.855 N/A LYS 86.A N ALA 82.A O no hydrogen 2.779 N/A LYS 86.A NZ ASP 84.A O no hydrogen 3.072 N/A PHE 89.A N MET 68.A O no hydrogen 3.110 N/A CYS 90.A N LEU 128.A O no hydrogen 3.074 N/A CYS 90.A SG LEU 70.A O no hydrogen 3.903 N/A CYS 91.A N LEU 70.A O no hydrogen 2.951 N/A LEU 92.A N SER 130.A O no hydrogen 2.755 N/A VAL 93.A N MET 72.A O no hydrogen 3.097 N/A GLU 95.A N GLU 99.A OE1 no hydrogen 2.618 N/A LYS 96.A N GLU 99.A OE1 no hydrogen 2.806 N/A LYS 96.A NZ GLU 47.A OE1 no hydrogen 2.951 N/A GLU 99.A N LYS 96.A O no hydrogen 3.080 N/A VAL 100.A N ARG 97.A O no hydrogen 3.469 N/A THR 101.A N GLY 105.A O no hydrogen 3.054 N/A THR 101.A OG1 GLY 105.A O no hydrogen 3.520 N/A THR 101.A OG1 ASP 134.A OD2 no hydrogen 2.589 N/A GLU 103.A N THR 101.A OG1 no hydrogen 3.229 N/A GLY 104.A N THR 101.A O no hydrogen 3.278 N/A LEU 106.A N PHE 132.A O no hydrogen 2.933 N/A ASP 107.A N GLU 99.A O no hydrogen 2.715 N/A VAL 108.A N LEU 106.A O no hydrogen 2.933 N/A ALA 109.A N GLN 139.A OE1 no hydrogen 2.964 N/A GLY 110.A N ASP 107.A OD2 no hydrogen 2.714 N/A GLN 111.A N VAL 108.A O no hydrogen 3.252 N/A GLN 111.A NE2 ASP 107.A O no hydrogen 3.545 N/A LYS 114.A NZ GLN 111.A OE1 no hydrogen 3.325 N/A MET 115.A N GLN 111.A O no hydrogen 3.103 N/A THR 116.A N VAL 112.A O no hydrogen 2.934 N/A THR 116.A OG1 VAL 112.A O no hydrogen 2.833 N/A LEU 117.A N ASP 113.A O no hydrogen 3.281 N/A ALA 118.A N LYS 114.A O no hydrogen 3.108 N/A VAL 119.A N MET 115.A O no hydrogen 2.774 N/A GLY 120.A N THR 116.A O no hydrogen 2.957 N/A ARG 121.A N LEU 117.A O no hydrogen 3.036 N/A ARG 121.A NH1 ASP 80.A OD1 no hydrogen 3.357 N/A ARG 121.A NH2 ASP 80.A OD1 no hydrogen 2.788 N/A LEU 122.A N ALA 118.A O no hydrogen 3.089 N/A ALA 123.A N VAL 119.A O no hydrogen 2.786 N/A ASP 124.A N GLY 120.A O no hydrogen 2.989 N/A VAL 125.A N LEU 122.A O no hydrogen 3.168 N/A GLY 126.A N ALA 123.A O no hydrogen 2.761 N/A ILE 127.A N LEU 122.A O no hydrogen 3.128 N/A LEU 128.A N HIS 88.A O.A no hydrogen 3.063 N/A LEU 128.A N HIS 88.A O.B no hydrogen 3.147 N/A SER 130.A N CYS 90.A O no hydrogen 2.835 N/A LEU 131.A N TYR 150.A O no hydrogen 3.233 N/A PHE 132.A N LEU 92.A O no hydrogen 3.043 N/A ILE 133.A N GLU 152.A O no hydrogen 2.779 N/A GLN 139.A N ASP 136.A OD1 no hydrogen 2.851 N/A GLN 139.A NE2 ASP 107.A OD2 no hydrogen 3.268 N/A ILE 140.A N ASP 136.A O no hydrogen 3.033 N/A ASP 141.A N PHE 137.A O no hydrogen 3.165 N/A ALA 142.A N ARG 138.A O no hydrogen 3.156 N/A ALA 143.A N GLN 139.A O no hydrogen 3.226 N/A VAL 144.A N ILE 140.A O no hydrogen 3.200 N/A ALA 145.A N ASP 141.A O no hydrogen 3.052 N/A ALA 146.A N ALA 142.A O no hydrogen 2.718 N/A GLY 147.A N VAL 144.A O no hydrogen 2.752 N/A ALA 148.A N ALA 143.A O no hydrogen 3.057 N/A TYR 150.A N VAL 129.A O no hydrogen 3.138 N/A ILE 151.A N LYS 187.A O no hydrogen 3.091 N/A GLU 152.A N LEU 131.A O no hydrogen 3.037 N/A ILE 153.A N ASN 189.A O no hydrogen 2.749 N/A HIS 154.A N ILE 133.A O no hydrogen 2.924 N/A THR 155.A N GLY 191.A O no hydrogen 2.959 N/A THR 155.A OG1 HIS 192.A O no hydrogen 2.564 N/A GLY 156.A N HIS 154.A ND1 no hydrogen 3.279 N/A TYR 158.A OH ASN 198.A O no hydrogen 2.517 N/A ALA 159.A N THR 155.A O no hydrogen 2.839 N/A ASP 160.A N GLY 156.A O no hydrogen 2.912 N/A ALA 161.A N ALA 157.A O no hydrogen 3.216 N/A SER 162.A OG GLU 166.A OE1 no hydrogen 2.737 N/A ARG 167.A N THR 163.A O no hydrogen 3.025 N/A ARG 167.A NH2 ALA 159.A O no hydrogen 3.426 N/A ARG 167.A NH2 ALA 161.A O no hydrogen 2.883 N/A GLN 168.A N VAL 164.A O no hydrogen 3.232 N/A ALA 169.A N LEU 165.A O no hydrogen 2.982 N/A GLU 170.A N GLU 166.A O no hydrogen 3.006 N/A LEU 171.A N ARG 167.A O no hydrogen 2.931 N/A MET 172.A N GLN 168.A O no hydrogen 2.927 N/A ARG 173.A N ALA 169.A O no hydrogen 2.758 N/A ARG 173.A NE GLU 170.A OE2 no hydrogen 2.980 N/A ARG 173.A NH1 ALA 135.A O no hydrogen 2.690 N/A ILE 174.A N GLU 170.A O no hydrogen 2.983 N/A ALA 175.A N LEU 171.A O no hydrogen 2.861 N/A LYS 176.A N MET 172.A O no hydrogen 2.950 N/A ALA 177.A N ARG 173.A O no hydrogen 3.042 N/A ALA 178.A N ILE 174.A O no hydrogen 2.800 N/A THR 179.A N ALA 175.A O no hydrogen 3.010 N/A THR 179.A OG1 ALA 175.A O no hydrogen 3.366 N/A THR 179.A OG1 GLU 207.A OE1 no hydrogen 2.875 N/A TYR 180.A N LYS 176.A O no hydrogen 2.896 N/A TYR 180.A OH ASP 141.A OD1 no hydrogen 2.914 N/A ALA 181.A N ALA 177.A O no hydrogen 2.825 N/A ALA 182.A N ALA 178.A O no hydrogen 3.114 N/A GLY 183.A N THR 179.A O no hydrogen 2.987 N/A LYS 184.A N TYR 180.A O no hydrogen 3.058 N/A LYS 184.A NZ TYR 180.A OH no hydrogen 3.498 N/A GLY 185.A N ALA 182.A O no hydrogen 2.674 N/A LEU 186.A N ALA 181.A O no hydrogen 2.896 N/A LYS 187.A N PRO 149.A O no hydrogen 3.112 N/A ASN 189.A N ILE 151.A O no hydrogen 2.756 N/A ALA 190.A N GLU 210.A O no hydrogen 3.161 N/A GLY 191.A N ILE 153.A O no hydrogen 3.096 N/A TYR 196.A OH ALA 229.A O no hydrogen 2.401 N/A HIS 197.A N THR 195.A OG1 no hydrogen 2.872 N/A ALA 203.A N VAL 199.A O no hydrogen 2.733 N/A ALA 204.A N GLN 200.A O no hydrogen 2.852 N/A GLU 207.A N GLU 207.A OE2 no hydrogen 2.744 N/A MET 208.A N LEU 205.A O no hydrogen 3.276 N/A HIS 209.A N VAL 188.A O no hydrogen 2.631 N/A GLU 210.A N ASN 189.A OD1 no hydrogen 2.796 N/A LEU 211.A N LEU 4.A O no hydrogen 2.726 N/A ASN 212.A N ALA 190.A O no hydrogen 2.821 N/A ASN 212.A ND2 GLU 152.A OE2 no hydrogen 2.824 N/A ILE 213.A N GLY 6.A O no hydrogen 3.087 N/A ILE 218.A N GLY 214.A O no hydrogen 2.905 N/A GLY 219.A N HIS 215.A O no hydrogen 2.748 N/A GLN 220.A N ALA 216.A O no hydrogen 2.877 N/A GLN 220.A NE2 THR 224.A OG1 no hydrogen 3.187 N/A ALA 221.A N ILE 217.A O no hydrogen 2.724 N/A VAL 222.A N ILE 218.A O no hydrogen 3.193 N/A MET 223.A N GLN 220.A O no hydrogen 3.000 N/A THR 224.A N GLN 220.A O no hydrogen 3.026 N/A THR 224.A OG1 GLN 220.A O no hydrogen 3.230 N/A GLY 225.A N ALA 221.A O no hydrogen 2.642 N/A ALA 229.A N GLY 225.A O no hydrogen 3.070 N/A VAL 230.A N LEU 226.A O no hydrogen 2.881 N/A THR 231.A N ALA 227.A O no hydrogen 3.079 N/A THR 231.A OG1 ALA 36.A O no hydrogen 3.266 N/A THR 231.A OG1 ALA 227.A O no hydrogen 2.880 N/A ASP 232.A N ALA 228.A O no hydrogen 3.122 N/A MET 233.A N ALA 229.A O no hydrogen 3.247 N/A LYS 234.A N VAL 230.A O no hydrogen 2.860 N/A LYS 234.A NZ GLY 37.A O no hydrogen 2.730 N/A LYS 234.A NZ ASP 39.A OD1 no hydrogen 3.387 N/A LYS 234.A NZ ASP 39.A OD2 no hydrogen 2.828 N/A VAL 235.A N THR 231.A O no hydrogen 2.758 N/A LEU 236.A N ASP 232.A O no hydrogen 3.095 N/A MET 237.A N MET 233.A O no hydrogen 3.085 N/A ARG 238.A N.A LYS 234.A O no hydrogen 2.935 N/A ARG 238.A N.B LYS 234.A O no hydrogen 2.952 N/A ARG 238.A NH1.B LYS 234.A O no hydrogen 2.758 N/A GLU 239.A N VAL 235.A O no hydrogen 2.972 N/A ALA 240.A N LEU 236.A O no hydrogen 2.909 N/A ARG 241.A N ARG 238.A O.A no hydrogen 3.179 N/A ARG 241.A N ARG 238.A O.B no hydrogen 3.204 N/A ARG 241.A NE ALA 203.A O no hydrogen 3.053 N/A ARG 241.A NH1 ALA 1.A O no hydrogen 2.652 N/A ARG 241.A NH2 LEU 205.A O no hydrogen 2.700 N/A ARG 241.A NH2 MET 208.A O no hydrogen 3.055 N/A ARG 242.A N GLU 239.A O no hydrogen 3.390 N/A ARG 242.A NE GLU 239.A OE1 no hydrogen 3.471 N/A ARG 242.A NH2 GLU 239.A OE2 no hydrogen 2.876 N/A