Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N SER 33.A O no hydrogen 3.053 N/A THR 6.A OG1 ASP 35.A O no hydrogen 2.495 N/A THR 12.A OG1 THR 17.A OG1 no hydrogen 3.087 N/A SER 13.A N GLU 16.A OE1 no hydrogen 3.162 N/A SER 15.A N SER 13.A OG no hydrogen 3.232 N/A SER 15.A OG GLU 188.A OE1 no hydrogen 3.055 N/A SER 15.A OG GLU 188.A OE2 no hydrogen 2.719 N/A THR 17.A N SER 13.A O no hydrogen 2.905 N/A THR 17.A OG1 THR 12.A O no hydrogen 3.491 N/A THR 17.A OG1 THR 12.A OG1 no hydrogen 3.087 N/A THR 17.A OG1 SER 13.A O no hydrogen 2.956 N/A ILE 18.A N PHE 14.A O no hydrogen 2.957 N/A ASN 19.A N SER 15.A O no hydrogen 3.062 N/A GLN 20.A N GLU 16.A O no hydrogen 2.707 N/A TRP 21.A N THR 17.A O no hydrogen 3.276 N/A TRP 21.A NE1 LEU 8.A O no hydrogen 2.587 N/A ALA 22.A N ILE 18.A O no hydrogen 2.728 N/A ASP 23.A N ASN 19.A O no hydrogen 3.088 N/A ILE 24.A N GLN 20.A O no hydrogen 3.102 N/A LEU 25.A N TRP 21.A O no hydrogen 2.814 N/A LYS 26.A N ALA 22.A O no hydrogen 2.965 N/A THR 27.A N ASP 23.A O no hydrogen 2.785 N/A THR 27.A OG1 ASP 23.A O no hydrogen 3.254 N/A THR 28.A OG1 ILE 24.A O no hydrogen 2.915 N/A LYS 31.A N ASP 29.A O no hydrogen 3.129 N/A SER 33.A N LYS 3.A O no hydrogen 2.771 N/A ASP 35.A N LEU 5.A O no hydrogen 2.666 N/A SER 36.A N GLN 162.A OE1 no hydrogen 2.760 N/A SER 36.A OG GLN 162.A OE1 no hydrogen 2.677 N/A ASN 37.A N ASP 35.A OD1 no hydrogen 2.853 N/A ILE 39.A N SER 36.A O no hydrogen 3.009 N/A LEU 41.A N ILE 39.A O no hydrogen 3.199 N/A LEU 44.A N ASN 40.A O no hydrogen 3.133 N/A VAL 45.A N LEU 41.A O no hydrogen 2.797 N/A LYS 46.A N LEU 42.A O no hydrogen 2.868 N/A GLN 47.A N GLU 43.A O no hydrogen 2.793 N/A PHE 48.A N LEU 44.A O no hydrogen 2.731 N/A ASN 49.A N VAL 45.A O no hydrogen 2.869 N/A ASN 49.A ND2 VAL 109.A O no hydrogen 3.061 N/A LEU 50.A N LYS 46.A O no hydrogen 3.133 N/A TYR 51.A N GLN 47.A O no hydrogen 3.203 N/A TYR 51.A N PHE 48.A O no hydrogen 2.574 N/A VAL 52.A N PHE 48.A O no hydrogen 2.923 N/A ASP 53.A N ASN 49.A O no hydrogen 3.045 N/A GLU 54.A N LEU 50.A O no hydrogen 3.113 N/A LEU 55.A N TYR 51.A O no hydrogen 2.877 N/A ALA 56.A N VAL 52.A O no hydrogen 2.878 N/A ILE 57.A N ASP 53.A O no hydrogen 2.962 N/A THR 58.A N GLU 54.A O no hydrogen 3.157 N/A THR 58.A N LEU 55.A O no hydrogen 3.154 N/A THR 58.A OG1 GLU 54.A O no hydrogen 3.350 N/A THR 58.A OG1 LEU 55.A O no hydrogen 3.230 N/A CYS 59.A N LEU 55.A O no hydrogen 3.224 N/A CYS 59.A SG LEU 55.A O no hydrogen 3.296 N/A GLU 60.A N ALA 56.A O no hydrogen 3.149 N/A ALA 61.A N ILE 57.A O no hydrogen 2.813 N/A ASN 62.A N THR 58.A O no hydrogen 2.542 N/A ASN 62.A ND2 LEU 195.A O no hydrogen 2.941 N/A ASN 63.A N GLU 60.A O no hydrogen 2.904 N/A TRP 65.A NE1 SER 100.A OG no hydrogen 2.901 N/A ALA 66.A N ASN 63.A O no hydrogen 2.965 N/A LYS 67.A NZ SER 194.A O no hydrogen 3.323 N/A GLU 68.A N TRP 65.A O no hydrogen 2.833 N/A ARG 69.A N ALA 66.A O no hydrogen 3.262 N/A ASN 75.A ND2 TYR 97.A O no hydrogen 2.892 N/A LEU 76.A N GLU 99.A OE2 no hydrogen 2.788 N/A PHE 77.A N ASN 75.A OD1 no hydrogen 2.697 N/A ALA 78.A N ASN 75.A O no hydrogen 2.842 N/A TYR 80.A N PHE 77.A O no hydrogen 2.757 N/A ASP 81.A N ALA 78.A O no hydrogen 3.201 N/A SER 83.A N ASP 81.A OD1 no hydrogen 3.009 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.897 N/A SER 83.A OG ASP 81.A OD2 no hydrogen 3.423 N/A GLU 86.A N SER 83.A O no hydrogen 3.394 N/A ILE 88.A N HIS 91.A O no hydrogen 2.681 N/A HIS 91.A N ILE 88.A O no hydrogen 3.120 N/A ALA 92.A N THR 229.A OG1 no hydrogen 3.010 N/A TYR 97.A N VAL 94.A O no hydrogen 3.379 N/A LYS 98.A N PHE 211.A O no hydrogen 2.819 N/A LYS 98.A NZ GLU 60.A OE1 no hydrogen 3.430 N/A LYS 98.A NZ GLU 60.A OE2 no hydrogen 2.689 N/A LYS 98.A NZ GLU 210.A O no hydrogen 2.865 N/A GLU 99.A N GLU 99.A OE1 no hydrogen 2.736 N/A SER 100.A OG ALA 56.A O no hydrogen 2.910 N/A VAL 102.A N LYS 98.A O no hydrogen 3.074 N/A LEU 103.A N GLU 99.A O no hydrogen 2.705 N/A ARG 104.A N SER 100.A O no hydrogen 3.104 N/A ARG 104.A NE ASP 53.A OD1 no hydrogen 3.246 N/A ARG 104.A NH1 SER 100.A O no hydrogen 3.209 N/A ARG 105.A N ILE 101.A O no hydrogen 3.043 N/A ARG 105.A NE GLU 233.A OE2 no hydrogen 3.103 N/A ARG 105.A NH2 GLU 233.A OE1 no hydrogen 2.909 N/A LEU 106.A N VAL 102.A O no hydrogen 3.030 N/A PHE 107.A N ARG 104.A O no hydrogen 3.132 N/A THR 108.A N ARG 104.A O no hydrogen 2.808 N/A THR 108.A OG1 ARG 104.A O no hydrogen 2.461 N/A VAL 109.A N ASN 49.A OD1 no hydrogen 2.601 N/A ASP 110.A N ASN 115.A O no hydrogen 2.751 N/A THR 113.A N ASP 110.A O no hydrogen 2.942 N/A THR 113.A OG1 ASP 110.A O no hydrogen 3.090 N/A THR 113.A OG1 ASP 110.A OD2 no hydrogen 2.860 N/A PHE 114.A N ASP 110.A O no hydrogen 2.751 N/A ASN 115.A N THR 113.A OG1 no hydrogen 2.933 N/A GLU 123.A N ALA 120.A O no hydrogen 2.975 N/A CYS 126.A N PHE 122.A O no hydrogen 3.131 N/A CYS 126.A SG PHE 122.A O no hydrogen 3.172 N/A GLN 127.A N GLU 123.A O no hydrogen 3.174 N/A LEU 128.A N GLY 124.A O no hydrogen 3.032 N/A TYR 129.A N PRO 125.A O no hydrogen 3.128 N/A TYR 129.A OH GLU 68.A OE1 no hydrogen 3.157 N/A TYR 129.A OH SER 136.A OG no hydrogen 3.082 N/A CYS 130.A N CYS 126.A O no hydrogen 2.978 N/A CYS 130.A SG CYS 126.A O no hydrogen 3.480 N/A LYS 131.A N GLN 127.A O no hydrogen 3.220 N/A GLU 132.A N LEU 128.A O no hydrogen 3.171 N/A HIS 133.A N CYS 130.A O no hydrogen 3.016 N/A HIS 133.A ND1 TYR 129.A O no hydrogen 3.100 N/A LYS 134.A NZ CYS 130.A O no hydrogen 3.530 N/A SER 136.A N HIS 133.A O no hydrogen 3.137 N/A SER 136.A OG GLU 68.A OE1 no hydrogen 3.440 N/A SER 136.A OG TYR 129.A OH no hydrogen 3.082 N/A ALA 137.A N GLU 68.A OE2 no hydrogen 2.878 N/A TRP 138.A N GLU 68.A OE1 no hydrogen 3.508 N/A VAL 139.A N SER 136.A O no hydrogen 2.926 N/A LYS 140.A N SER 136.A O no hydrogen 3.142 N/A LYS 140.A NZ ASP 190.A OD1 no hydrogen 3.409 N/A LYS 140.A NZ ASP 190.A OD2 no hydrogen 2.827 N/A LYS 140.A NZ GLU 193.A OE2 no hydrogen 3.455 N/A ILE 141.A N ALA 137.A O no hydrogen 2.645 N/A GLN 142.A N TRP 138.A O no hydrogen 2.884 N/A THR 143.A N VAL 139.A O no hydrogen 2.894 N/A THR 143.A OG1 VAL 139.A O no hydrogen 2.650 N/A LEU 144.A N LYS 140.A O no hydrogen 3.147 N/A LEU 145.A N ILE 141.A O no hydrogen 2.845 N/A THR 146.A N GLN 142.A O no hydrogen 2.830 N/A THR 146.A OG1 GLN 142.A O no hydrogen 2.455 N/A LEU 147.A N THR 143.A O no hydrogen 2.991 N/A GLY 148.A N LEU 144.A O no hydrogen 3.013 N/A ASN 149.A N LEU 145.A O no hydrogen 2.832 N/A GLY 150.A N THR 146.A O no hydrogen 2.663 N/A ILE 151.A N LEU 147.A O no hydrogen 2.887 N/A ILE 152.A N GLY 148.A O no hydrogen 3.313 N/A ASN 153.A N ASN 149.A O no hydrogen 3.001 N/A THR 154.A N GLY 150.A O no hydrogen 2.676 N/A THR 154.A OG1 GLY 150.A O no hydrogen 3.088 N/A THR 154.A OG1 GLN 180.A OE1 no hydrogen 2.564 N/A LEU 155.A N ILE 151.A O no hydrogen 3.049 N/A LYS 156.A N ILE 152.A O no hydrogen 2.977 N/A LYS 156.A NZ GLN 160.A OE1 no hydrogen 3.021 N/A ILE 157.A N ASN 153.A O no hydrogen 2.780 N/A ILE 158.A N THR 154.A O no hydrogen 2.803 N/A LYS 159.A N LEU 155.A O no hydrogen 2.837 N/A LYS 159.A NZ SER 36.A O no hydrogen 2.809 N/A GLN 160.A N LYS 156.A O no hydrogen 2.841 N/A ALA 161.A N ILE 157.A O no hydrogen 2.793 N/A GLN 162.A N ILE 158.A O no hydrogen 2.829 N/A GLN 162.A NE2 PHE 34.A O no hydrogen 2.954 N/A ALA 163.A N LYS 159.A O no hydrogen 2.962 N/A PHE 164.A N ALA 161.A O no hydrogen 2.901 N/A GLY 165.A N GLN 162.A O no hydrogen 2.920 N/A VAL 170.A N ILE 166.A O no hydrogen 3.429 N/A THR 171.A N ASP 167.A O no hydrogen 2.898 N/A GLU 172.A N GLU 168.A O no hydrogen 3.173 N/A ASN 173.A N ALA 169.A O no hydrogen 2.760 N/A LEU 174.A N VAL 170.A O no hydrogen 3.274 N/A LYS 175.A N THR 171.A O no hydrogen 3.474 N/A ALA 176.A N GLU 172.A O no hydrogen 3.118 N/A LEU 177.A N ASN 173.A O no hydrogen 2.764 N/A LYS 178.A N LEU 174.A O no hydrogen 3.226 N/A LYS 178.A NZ LEU 25.A O no hydrogen 3.449 N/A GLU 179.A N LYS 175.A O no hydrogen 3.340 N/A GLN 180.A N ALA 176.A O no hydrogen 2.844 N/A PHE 181.A N LEU 177.A O no hydrogen 2.748 N/A ILE 182.A N LYS 178.A O no hydrogen 3.003 N/A ALA 183.A N GLU 179.A O no hydrogen 2.909 N/A PHE 184.A N GLN 180.A O no hydrogen 2.731 N/A GLN 185.A N PHE 181.A O no hydrogen 3.195 N/A GLN 185.A NE2 ASN 19.A OD1 no hydrogen 3.318 N/A LEU 186.A N ILE 182.A O no hydrogen 2.889 N/A ALA 187.A N ALA 183.A O no hydrogen 3.000 N/A GLU 188.A N PHE 184.A O no hydrogen 2.870 N/A ALA 189.A N GLN 185.A O no hydrogen 3.183 N/A ASP 190.A N LEU 186.A O no hydrogen 2.887 N/A LYS 192.A N ALA 189.A O no hydrogen 3.062 N/A SER 194.A OG GLU 193.A OE2 no hydrogen 3.288 N/A LEU 195.A N ILE 191.A O no hydrogen 3.234 N/A LYS 196.A N GLU 193.A O no hydrogen 2.650 N/A ASN 206.A ND2 PHE 212.A O no hydrogen 2.814 N/A GLU 208.A N ASN 206.A OD1 no hydrogen 3.106 N/A SER 209.A OG GLU 234.A OE2 no hydrogen 2.726 N/A PHE 211.A N SER 209.A OG no hydrogen 2.723 N/A PHE 212.A N SER 209.A OG no hydrogen 2.904 N/A TYR 213.A N TYR 96.A O no hydrogen 2.700 N/A TYR 213.A OH GLU 99.A OE1 no hydrogen 2.259 N/A ALA 219.A N ASP 216.A OD1 no hydrogen 2.702 N/A LEU 220.A N ASP 216.A O no hydrogen 3.014 N/A ALA 221.A N GLU 217.A O no hydrogen 3.099 N/A ALA 221.A N LYS 218.A O no hydrogen 3.217 N/A LYS 222.A N LYS 218.A O no hydrogen 3.442 N/A ASN 223.A ND2 GLY 85.A O no hydrogen 2.677 N/A GLN 226.A N ASN 223.A OD1 no hydrogen 2.714 N/A GLN 226.A NE2 PHE 93.A O no hydrogen 2.857 N/A LEU 227.A N ASN 223.A O no hydrogen 2.919 N/A ALA 228.A N GLY 224.A O no hydrogen 2.866 N/A THR 229.A N TYR 225.A O no hydrogen 2.767 N/A THR 229.A OG1 TYR 225.A O no hydrogen 2.711 N/A ILE 230.A N GLN 226.A O no hydrogen 3.011 N/A CYS 231.A N LEU 227.A O no hydrogen 2.868 N/A CYS 231.A SG LEU 227.A O no hydrogen 3.432 N/A LEU 232.A N ALA 228.A O no hydrogen 3.065 N/A GLU 233.A N THR 229.A O no hydrogen 3.058 N/A GLU 234.A N ILE 230.A O no hydrogen 3.000 N/A LEU 235.A N CYS 231.A O no hydrogen 3.308 N/A ASN 236.A N GLU 233.A O no hydrogen 2.858 N/A SER 237.A N GLU 234.A O no hydrogen 2.798 N/A SER 237.A OG GLU 210.A OE1 no hydrogen 2.807 N/A SER 237.A OG GLU 234.A O no hydrogen 3.430 N/A SER 241.A OG GLU 234.A OE1 no hydrogen 2.728 N/A LEU 243.A N GLU 208.A O no hydrogen 3.054 N/A ILE 244.A N SER 241.A OG no hydrogen 2.963 N/A GLU 245.A N SER 241.A O no hydrogen 3.057 N/A ARG 246.A N PRO 242.A O no hydrogen 2.933 N/A ARG 246.A NE GLU 217.A OE1 no hydrogen 3.006 N/A ARG 246.A NH1 GLU 208.A OE1 no hydrogen 2.877 N/A ARG 246.A NH1 GLU 208.A OE2 no hydrogen 3.375 N/A ARG 246.A NH1 ILE 215.A O no hydrogen 2.994 N/A ARG 246.A NH2 ILE 215.A O no hydrogen 2.874 N/A ARG 246.A NH2 GLU 217.A OE1 no hydrogen 2.937 N/A ILE 247.A N LEU 243.A O no hydrogen 3.006 N/A LEU 248.A N ILE 244.A O no hydrogen 2.800 N/A SER 249.A N GLU 245.A O no hydrogen 2.776 N/A SER 249.A N ARG 246.A O no hydrogen 3.122 N/A SER 249.A OG GLU 245.A O no hydrogen 2.875 N/A SER 249.A OG GLU 245.A OE2 no hydrogen 3.547 N/A SER 249.A OG ARG 246.A O no hydrogen 2.721 N/A ASN 250.A N ARG 246.A O no hydrogen 3.126 N/A LYS 251.A NZ GLY 291.A O no hydrogen 3.514 N/A LYS 252.A N ASN 250.A OD1 no hydrogen 2.617 N/A PHE 253.A N ASN 250.A OD1 no hydrogen 3.371 N/A TRP 254.A N LYS 251.A O no hydrogen 3.474 N/A ARG 256.A NH1 ALA 221.A O no hydrogen 3.100 N/A ILE 257.A N PHE 253.A O no hydrogen 3.241 N/A ASN 258.A N TRP 254.A O no hydrogen 2.802 N/A ASN 258.A ND2 GLU 262.A OE2 no hydrogen 3.110 N/A SER 259.A N LYS 255.A O no hydrogen 2.917 N/A SER 259.A OG ARG 256.A O no hydrogen 3.218 N/A ALA 260.A N ARG 256.A O no hydrogen 2.964 N/A PHE 261.A N ILE 257.A O no hydrogen 3.062 N/A GLU 262.A N ASN 258.A O no hydrogen 2.826 N/A SER 263.A N SER 259.A O no hydrogen 2.857 N/A SER 263.A N ALA 260.A O no hydrogen 3.132 N/A SER 263.A OG ALA 260.A O no hydrogen 2.672 N/A GLY 264.A N PHE 261.A O no hydrogen 3.137 N/A VAL 265.A N SER 263.A OG no hydrogen 3.234 N/A LYS 267.A N GLY 264.A O no hydrogen 2.908 N/A ARG 269.A N PHE 266.A O no hydrogen 3.113 N/A ARG 269.A NE ASP 271.A OD1 no hydrogen 2.701 N/A ARG 269.A NE ASP 271.A OD2 no hydrogen 3.552 N/A ARG 269.A NH1 GLY 90.A O no hydrogen 2.663 N/A ARG 269.A NH2 ASP 271.A OD2 no hydrogen 3.295 N/A GLY 275.A N ASP 272.A OD1 no hydrogen 2.973 N/A LYS 276.A N ASP 272.A O no hydrogen 2.914 N/A LYS 276.A NZ LEU 232.A O no hydrogen 2.883 N/A LYS 276.A NZ ASN 236.A OD1 no hydrogen 2.472 N/A LYS 276.A NZ ASP 271.A OD2 no hydrogen 2.480 N/A ILE 277.A N PRO 273.A O no hydrogen 2.690 N/A ALA 278.A N ALA 274.A O no hydrogen 3.045 N/A LYS 279.A N GLY 275.A O no hydrogen 2.967 N/A ILE 280.A N LYS 276.A O no hydrogen 2.848 N/A ARG 281.A N ILE 277.A O no hydrogen 2.851 N/A ARG 281.A NH1 ASN 258.A OD1 no hydrogen 2.367 N/A GLU 282.A N ALA 278.A O no hydrogen 2.920 N/A TRP 283.A N LYS 279.A O no hydrogen 2.945 N/A HIS 284.A N ILE 280.A O no hydrogen 2.961 N/A GLN 285.A N ARG 281.A O no hydrogen 2.836 N/A LEU 286.A N GLU 282.A O no hydrogen 2.754 N/A LEU 287.A N TRP 283.A O no hydrogen 2.984 N/A GLN 288.A N HIS 284.A O no hydrogen 2.921 N/A GLN 288.A N GLN 285.A O no hydrogen 3.264 N/A ILE 289.A N GLN 285.A O no hydrogen 3.292 N/A SER 290.A N LEU 286.A O no hydrogen 3.286 N/A SER 290.A OG LEU 286.A O no hydrogen 3.134 N/A GLY 291.A N LEU 287.A O no hydrogen 2.977 N/A LYS 292.A N ILE 289.A O no hydrogen 3.194 N/A