Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3uir_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 3.A N PRO 116.A O no hydrogen 2.908 N/A LYS 4.A NZ ASP 1.A OD2 no hydrogen 3.237 N/A LYS 4.A NZ ASP 203.A OD2 no hydrogen 3.345 N/A LYS 10.A NZ VAL 19.A O no hydrogen 2.306 N/A VAL 15.A N ASP 187.A O no hydrogen 2.920 N/A GLY 16.A N THR 143.A OG1 no hydrogen 3.205 N/A CYS 18.A N GLU 151.A O no hydrogen 2.978 N/A ALA 20.A N LEU 149.A O no hydrogen 2.866 N/A SER 24.A N HIS 21.A O no hydrogen 3.174 N/A SER 24.A OG HIS 21.A O no hydrogen 2.386 N/A TRP 25.A NE1 GLU 151.A OE1 no hydrogen 2.506 N/A GLN 28.A N TRP 25.A O no hydrogen 2.984 N/A GLN 28.A NE2 VAL 29.A O no hydrogen 3.087 N/A VAL 29.A N GLY 42.A O no hydrogen 2.928 N/A SER 30.A N ILE 69.A O no hydrogen 3.166 N/A SER 30.A OG HIS 38.A ND1 no hydrogen 2.394 N/A LEU 31.A N CYS 40.A O no hydrogen 2.956 N/A ARG 32.A N LYS 67.A O no hydrogen 2.867 N/A ARG 32.A NE SER 30.A OG no hydrogen 3.294 N/A ARG 32.A NH2 GLU 75.A O no hydrogen 2.217 N/A GLY 36.A N THR 33.A OG1 no hydrogen 3.138 N/A HIS 38.A ND1 SER 30.A OG no hydrogen 2.394 N/A HIS 38.A NE2 GLY 191.A O no hydrogen 2.832 N/A PHE 39.A N LEU 31.A O no hydrogen 3.405 N/A CYS 40.A SG PHE 39.A O no hydrogen 3.327 N/A CYS 40.A SG SER 193.A O no hydrogen 3.368 N/A GLY 41.A N SER 193.A O no hydrogen 2.474 N/A THR 43.A N LEU 51.A O no hydrogen 2.639 N/A LEU 44.A N TRP 27.A O no hydrogen 2.997 N/A ILE 45.A N TRP 49.A O no hydrogen 3.185 N/A TRP 49.A N SER 46.A O no hydrogen 3.013 N/A VAL 50.A N LEU 102.A O no hydrogen 2.851 N/A LEU 51.A N THR 43.A O no hydrogen 2.688 N/A THR 52.A N ALA 100.A O no hydrogen 2.862 N/A THR 52.A OG1 GLY 41.A O no hydrogen 3.029 N/A ALA 53.A N THR 52.A OG1 no hydrogen 2.596 N/A HIS 55.A N ASP 98.A OD1 no hydrogen 2.791 N/A HIS 55.A ND1 GLU 58.A OE2 no hydrogen 2.669 N/A CYS 56.A N ALA 53.A O no hydrogen 3.113 N/A CYS 56.A SG THR 52.A OG1 no hydrogen 3.621 N/A CYS 56.A SG ALA 53.A O no hydrogen 3.387 N/A CYS 56.A SG SER 193.A O no hydrogen 3.814 N/A LEU 57.A N ALA 54.A O no hydrogen 2.964 N/A SER 60.A OG SER 65.A OG no hydrogen 2.663 N/A ARG 62.A NE SER 64.A OG no hydrogen 2.666 N/A ARG 62.A NH2 SER 64.A OG no hydrogen 2.823 N/A SER 65.A N ARG 62.A O no hydrogen 3.215 N/A SER 65.A OG SER 60.A OG no hydrogen 2.663 N/A SER 65.A OG ARG 62.A O no hydrogen 2.344 N/A TYR 66.A N PRO 63.A O no hydrogen 3.160 N/A TYR 66.A OH SER 60.A O no hydrogen 2.539 N/A LYS 67.A N ARG 32.A O no hydrogen 2.986 N/A VAL 68.A N ILE 85.A O no hydrogen 2.633 N/A ILE 69.A N SER 30.A O no hydrogen 3.110 N/A LEU 70.A N GLN 83.A O no hydrogen 2.778 N/A HIS 73.A N GLU 79.A OE1 no hydrogen 3.123 N/A HIS 73.A NE2 ALA 20.A O no hydrogen 3.203 N/A GLN 74.A N GLU 79.A OE1 no hydrogen 3.491 N/A GLU 75.A N GLY 147.A O no hydrogen 2.753 N/A LEU 78.A N VAL 76.A O no hydrogen 2.925 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.682 N/A VAL 82.A N GLU 79.A O no hydrogen 3.162 N/A GLN 83.A N LEU 70.A O no hydrogen 2.854 N/A GLN 83.A NE2 VAL 109.A O no hydrogen 3.014 N/A ILE 85.A N VAL 68.A O no hydrogen 2.837 N/A VAL 87.A N TYR 66.A O no hydrogen 3.159 N/A SER 88.A N LYS 103.A O no hydrogen 2.448 N/A ARG 89.A N LYS 103.A O no hydrogen 3.233 N/A PHE 91.A N LEU 101.A O no hydrogen 2.756 N/A GLU 93.A N ILE 99.A O no hydrogen 3.310 N/A THR 95.A N GLU 93.A OE2 no hydrogen 2.844 N/A THR 95.A OG1 GLU 93.A OE1 no hydrogen 2.982 N/A THR 95.A OG1 GLU 93.A OE2 no hydrogen 2.271 N/A ARG 96.A N GLU 93.A O no hydrogen 2.864 N/A LYS 97.A N GLU 93.A OE1 no hydrogen 2.656 N/A LYS 97.A NZ GLN 173.A OE1 no hydrogen 2.712 N/A ILE 99.A N LYS 97.A O no hydrogen 2.735 N/A ALA 100.A N THR 52.A O no hydrogen 2.842 N/A LEU 101.A N PHE 91.A O no hydrogen 2.874 N/A LEU 102.A N VAL 50.A O no hydrogen 2.767 N/A LYS 103.A N ARG 89.A O no hydrogen 2.759 N/A LYS 103.A NZ GLU 48.A OE1 no hydrogen 2.552 N/A LYS 103.A NZ ASN 243.A OXT no hydrogen 3.523 N/A LEU 104.A N GLU 48.A O no hydrogen 2.695 N/A SER 105.A N GLU 86.A O no hydrogen 2.826 N/A SER 105.A OG GLU 86.A O no hydrogen 3.290 N/A ALA 108.A N PRO 47.A O no hydrogen 2.937 N/A VAL 109.A N GLN 83.A OE1 no hydrogen 2.816 N/A THR 111.A N VAL 114.A O no hydrogen 3.017 N/A ASP 112.A N ASP 112.A OD1 no hydrogen 2.675 N/A LYS 113.A N THR 111.A OG1 no hydrogen 2.990 N/A VAL 114.A N THR 111.A OG1 no hydrogen 3.005 N/A ALA 117.A N LEU 44.A O no hydrogen 2.795 N/A CYS 118.A SG CYS 2.A O no hydrogen 3.186 N/A ASN 123.A N SER 230.A O no hydrogen 2.779 N/A TYR 124.A N SER 121.A O no hydrogen 3.125 N/A ARG 129.A N VAL 156.A O no hydrogen 2.622 N/A THR 130.A N ALA 127.A O no hydrogen 3.316 N/A THR 130.A OG1 ALA 127.A O no hydrogen 2.684 N/A CYS 132.A N LEU 154.A O no hydrogen 2.777 N/A CYS 132.A SG THR 130.A O no hydrogen 3.956 N/A PHE 133.A N VAL 198.A O no hydrogen 2.831 N/A ILE 134.A N ALA 152.A O no hydrogen 2.795 N/A THR 135.A OG1 GLN 28.A OE1 no hydrogen 2.623 N/A GLY 136.A N LYS 150.A O no hydrogen 3.068 N/A TRP 137.A NE1 HIS 73.A O no hydrogen 3.072 N/A GLY 138.A N ASP 192.A OD1 no hydrogen 2.570 N/A GLU 139.A N GLN 190.A O no hydrogen 3.039 N/A THR 140.A OG1 THR 143.A O no hydrogen 2.865 N/A THR 143.A N THR 140.A O no hydrogen 3.138 N/A THR 143.A OG1 THR 140.A O no hydrogen 2.366 N/A LEU 148.A N GLY 145.A O no hydrogen 2.894 N/A LEU 149.A N HIS 73.A O no hydrogen 2.813 N/A LYS 150.A N GLY 136.A O no hydrogen 3.246 N/A LYS 150.A NZ VAL 14.A O no hydrogen 3.391 N/A LYS 150.A NZ GLY 16.A O no hydrogen 2.504 N/A LYS 150.A NZ PHE 144.A O no hydrogen 2.723 N/A GLU 151.A N CYS 18.A O no hydrogen 2.688 N/A ALA 152.A N ILE 134.A O no hydrogen 2.763 N/A LEU 154.A N CYS 132.A O no hydrogen 2.867 N/A VAL 156.A N THR 130.A O no hydrogen 2.721 N/A ILE 157.A N CYS 178.A O no hydrogen 2.873 N/A GLU 158.A N ASP 128.A OD1 no hydrogen 3.006 N/A ASN 159.A ND2 GLU 176.A O no hydrogen 2.660 N/A VAL 161.A N GLU 158.A O no hydrogen 3.018 N/A CYS 162.A N GLU 158.A O no hydrogen 2.789 N/A ASN 163.A N ASN 159.A O no hydrogen 2.817 N/A ASN 163.A ND2 ASN 159.A O no hydrogen 3.436 N/A ASN 163.A ND2 VAL 172.A O no hydrogen 2.770 N/A ARG 164.A N VAL 161.A O no hydrogen 3.050 N/A PHE 167.A N ARG 164.A O no hydrogen 2.883 N/A LEU 168.A N CYS 162.A O no hydrogen 3.077 N/A ASN 169.A N ARG 164.A O no hydrogen 2.943 N/A GLY 170.A N ASN 163.A O no hydrogen 3.020 N/A ARG 171.A NE LEU 168.A O no hydrogen 2.568 N/A ARG 171.A NH2 LEU 168.A O no hydrogen 3.205 N/A VAL 172.A N ASN 163.A OD1 no hydrogen 2.639 N/A GLN 173.A N GLU 176.A OE1 no hydrogen 2.943 N/A GLU 176.A N GLN 173.A O no hydrogen 3.227 N/A LEU 177.A N TYR 226.A O no hydrogen 2.671 N/A ALA 179.A N GLY 224.A O no hydrogen 2.873 N/A GLY 180.A N PRO 155.A O no hydrogen 3.039 N/A GLY 184.A N HIS 181.A O no hydrogen 3.061 N/A GLY 185.A N ALA 218.A O no hydrogen 2.772 N/A ASP 187.A N VAL 15.A O no hydrogen 3.017 N/A SER 188.A OG TYR 226.A OH no hydrogen 2.263 N/A CYS 189.A N ASP 192.A OD2 no hydrogen 2.805 N/A ASP 192.A N CYS 189.A O no hydrogen 2.812 N/A GLY 194.A N THR 211.A O no hydrogen 2.890 N/A GLY 195.A N ASP 192.A O no hydrogen 2.876 N/A LEU 197.A N GLY 209.A O no hydrogen 2.826 N/A VAL 198.A N PHE 133.A O no hydrogen 3.023 N/A CYS 199.A N ILE 206.A O no hydrogen 2.661 N/A GLU 201.A N LYS 204.A O no hydrogen 3.052 N/A TYR 205.A N GLY 3.A O no hydrogen 2.644 N/A ILE 206.A N CYS 199.A O no hydrogen 2.760 N/A LEU 207.A N CYS 118.A O no hydrogen 2.880 N/A GLN 208.A N LEU 197.A O no hydrogen 2.868 N/A GLN 208.A NE2 GLU 201.A OE1 no hydrogen 3.318 N/A GLY 209.A N LEU 197.A O no hydrogen 3.083 N/A VAL 210.A N VAL 227.A O no hydrogen 3.165 N/A THR 211.A N GLY 195.A O no hydrogen 2.987 N/A THR 211.A OG1 GLY 195.A O no hydrogen 3.443 N/A SER 212.A N VAL 225.A O no hydrogen 3.347 N/A SER 212.A OG ASP 98.A OD2 no hydrogen 2.801 N/A TRP 213.A N VAL 225.A O no hydrogen 3.175 N/A TRP 213.A NE1 GLU 176.A OE2 no hydrogen 2.860 N/A CYS 217.A SG SER 188.A O no hydrogen 3.825 N/A ALA 218.A N ASP 187.A OD2 no hydrogen 3.409 N/A ASN 221.A N LEU 182.A O no hydrogen 2.590 N/A LYS 222.A N ARG 219.A O no hydrogen 3.124 N/A LYS 222.A NZ GLU 166.A O no hydrogen 3.242 N/A LYS 222.A NZ PHE 167.A O no hydrogen 2.916 N/A LYS 222.A NZ ASN 221.A O no hydrogen 2.840 N/A GLY 224.A N ALA 179.A O no hydrogen 2.863 N/A VAL 225.A N TRP 213.A O no hydrogen 2.790 N/A TYR 226.A N LEU 177.A O no hydrogen 2.683 N/A TYR 226.A OH SER 188.A OG no hydrogen 2.263 N/A VAL 227.A N VAL 210.A O no hydrogen 2.921 N/A ARG 228.A N THR 175.A O no hydrogen 2.902 N/A ARG 228.A NE SER 174.A O no hydrogen 3.187 N/A ARG 228.A NE GLU 176.A O no hydrogen 3.254 N/A ARG 228.A NH2 GLU 176.A O no hydrogen 3.037 N/A VAL 229.A N GLN 208.A O no hydrogen 3.220 N/A SER 230.A OG TYR 124.A O no hydrogen 2.405 N/A ARG 231.A N ARG 228.A O no hydrogen 3.228 N/A ARG 231.A NH2 SER 174.A OG no hydrogen 3.137 N/A PHE 232.A N VAL 229.A O no hydrogen 2.730 N/A ILE 236.A N PHE 232.A O no hydrogen 2.788 N/A GLU 237.A N VAL 233.A O no hydrogen 2.779 N/A GLY 238.A N THR 234.A O no hydrogen 3.202 N/A VAL 239.A N TRP 235.A O no hydrogen 3.062 N/A MET 240.A N ILE 236.A O no hydrogen 3.055 N/A ARG 241.A N GLU 237.A O no hydrogen 3.042 N/A ASN 242.A N GLY 238.A O no hydrogen 3.189 N/A ASN 242.A ND2 GLY 238.A O no hydrogen 2.799 N/A ASN 243.A N VAL 239.A O no hydrogen 2.933 N/A ASN 243.A ND2 VAL 239.A O no hydrogen 3.455 N/A