Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3iru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 12.A N ASN 259.A OD1 no hydrogen 2.849 N/A GLU 13.A N GLY 180.A O no hydrogen 2.857 N/A LEU 15.A N LYS 124.A O no hydrogen 2.781 N/A ILE 16.A N ILE 182.A O no hydrogen 2.830 N/A LEU 17.A N GLY 126.A O no hydrogen 2.954 N/A ASP 18.A N VAL 184.A O no hydrogen 2.997 N/A GLY 21.A N ILE 24.A O no hydrogen 2.705 N/A THR 22.A N TRP 19.A O no hydrogen 3.097 N/A THR 22.A OG1 ASP 186.A OD1 no hydrogen 3.423 N/A THR 23.A N TRP 19.A O no hydrogen 2.853 N/A THR 23.A OG1 ASP 18.A O no hydrogen 2.992 N/A THR 23.A OG1 TRP 19.A O no hydrogen 3.529 N/A ILE 24.A N TRP 19.A O no hydrogen 3.011 N/A ASP 25.A N GLN 106.A O no hydrogen 3.339 N/A GLY 27.A N SER 206.A O no hydrogen 2.706 N/A SER 28.A N ASP 25.A O no hydrogen 2.891 N/A LEU 29.A N ASP 25.A OD1 no hydrogen 3.005 N/A ALA 30.A N ASP 25.A OD2 no hydrogen 3.075 N/A TYR 33.A N LEU 29.A O no hydrogen 2.971 N/A ALA 34.A N ALA 30.A O no hydrogen 3.092 N/A PHE 35.A N PRO 31.A O no hydrogen 2.769 N/A LEU 37.A N ALA 34.A O no hydrogen 2.978 N/A PHE 38.A N PHE 35.A O no hydrogen 3.019 N/A GLN 40.A N GLU 36.A O no hydrogen 3.185 N/A GLU 41.A N PHE 38.A O no hydrogen 3.063 N/A GLY 42.A N LYS 39.A O no hydrogen 2.953 N/A ILE 43.A N PHE 38.A O no hydrogen 2.893 N/A THR 46.A N GLU 49.A OE1 no hydrogen 2.954 N/A GLN 47.A NE2 GLY 211.A O no hydrogen 3.390 N/A GLU 49.A N THR 46.A OG1 no hydrogen 3.179 N/A ALA 50.A N THR 46.A O no hydrogen 3.100 N/A ARG 51.A N GLN 47.A O no hydrogen 2.935 N/A ARG 51.A NH1 GLY 27.A O no hydrogen 3.047 N/A ARG 51.A NH1 SER 28.A O no hydrogen 2.968 N/A ARG 51.A NH1 ASN 208.A OD1 no hydrogen 2.778 N/A ARG 51.A NH2 GLY 27.A O no hydrogen 2.805 N/A ARG 51.A NH2 SER 28.A O no hydrogen 3.538 N/A GLU 52.A N ALA 48.A O no hydrogen 3.180 N/A THR 55.A N PRO 53.A O no hydrogen 3.312 N/A THR 55.A OG1 PRO 53.A O no hydrogen 3.029 N/A THR 55.A OG1 GLU 56.A O no hydrogen 3.473 N/A SER 58.A N GLU 56.A OE2 no hydrogen 2.761 N/A SER 58.A OG GLU 56.A OE1 no hydrogen 2.791 N/A SER 58.A OG GLU 56.A OE2 no hydrogen 3.369 N/A GLU 59.A N GLU 56.A OE1 no hydrogen 3.186 N/A HIS 60.A N GLU 56.A O no hydrogen 2.860 N/A ILE 61.A N LYS 57.A O no hydrogen 2.921 N/A ARG 62.A N SER 58.A O no hydrogen 2.918 N/A ARG 62.A NH1 GLU 59.A OE1 no hydrogen 3.010 N/A ARG 63.A N GLU 59.A O no hydrogen 2.907 N/A ARG 63.A NE GLU 59.A OE2 no hydrogen 2.928 N/A ARG 63.A NH2 GLU 59.A OE2 no hydrogen 3.383 N/A GLY 65.A N ARG 63.A O no hydrogen 2.941 N/A ASN 66.A N ARG 63.A O no hydrogen 3.198 N/A ARG 68.A NE GLU 49.A OE2 no hydrogen 2.805 N/A ARG 68.A NH2 GLU 44.A O no hydrogen 2.790 N/A ARG 68.A NH2 GLU 49.A OE1 no hydrogen 3.159 N/A ILE 69.A N ASN 66.A OD1 no hydrogen 2.942 N/A ALA 70.A N ASN 66.A O no hydrogen 2.879 N/A ASN 71.A N SER 67.A O no hydrogen 3.079 N/A ALA 72.A N ARG 68.A O no hydrogen 2.956 N/A TRP 73.A N ILE 69.A O no hydrogen 2.790 N/A LEU 74.A N ALA 70.A O no hydrogen 2.994 N/A SER 75.A N ASN 71.A O no hydrogen 2.980 N/A ILE 76.A N TRP 73.A O no hydrogen 3.376 N/A LYS 77.A N TRP 73.A O no hydrogen 2.816 N/A LYS 77.A NZ GLU 41.A OE1 no hydrogen 3.192 N/A GLY 78.A N LEU 74.A O no hydrogen 3.054 N/A ASN 82.A N ASP 85.A OD2 no hydrogen 3.177 N/A ASN 82.A ND2 GLU 84.A OE1 no hydrogen 3.253 N/A ASP 85.A N ASN 82.A O no hydrogen 3.027 N/A ASP 85.A N ASN 82.A OD1 no hydrogen 3.163 N/A ILE 86.A N ASN 82.A O no hydrogen 3.243 N/A LYS 87.A N GLU 83.A O no hydrogen 2.944 N/A ARG 88.A N GLU 84.A O no hydrogen 2.980 N/A ARG 88.A NH1 GLU 41.A OE1 no hydrogen 3.270 N/A ARG 88.A NH1 GLU 41.A OE2 no hydrogen 3.338 N/A ARG 88.A NH2 GLU 41.A OE1 no hydrogen 3.241 N/A LEU 89.A N ASP 85.A O no hydrogen 2.793 N/A TYR 90.A N ILE 86.A O no hydrogen 2.817 N/A ASP 91.A N LYS 87.A O no hydrogen 3.276 N/A LEU 92.A N ARG 88.A O no hydrogen 3.121 N/A PHE 93.A N TYR 90.A O no hydrogen 2.954 N/A GLN 97.A N PHE 93.A O no hydrogen 2.876 N/A GLN 97.A NE2 ALA 30.A O no hydrogen 3.186 N/A GLN 97.A NE2 GLN 97.A O no hydrogen 3.081 N/A THR 98.A N.A ALA 94.A O no hydrogen 2.901 N/A THR 98.A N.B ALA 94.A O no hydrogen 2.898 N/A THR 98.A OG1.A ALA 94.A O no hydrogen 2.520 N/A THR 98.A OG1.B PRO 95.A O no hydrogen 2.616 N/A VAL 101.A N GLN 97.A O no hydrogen 2.833 N/A ALA 102.A N THR 98.A O.A no hydrogen 2.985 N/A ALA 102.A N THR 98.A O.B no hydrogen 2.900 N/A GLN 103.A N ARG 99.A O no hydrogen 2.945 N/A ARG 104.A N ILE 100.A O no hydrogen 3.052 N/A ARG 104.A N VAL 101.A O no hydrogen 3.266 N/A ARG 104.A NH1 PHE 26.A O no hydrogen 3.299 N/A ARG 104.A NH2 PHE 26.A O no hydrogen 3.495 N/A SER 105.A OG ALA 102.A O no hydrogen 3.380 N/A ILE 108.A N THR 23.A O no hydrogen 2.878 N/A TRP 111.A N ILE 108.A O no hydrogen 3.096 N/A LYS 112.A NZ ASP 116.A OD1 no hydrogen 3.269 N/A LYS 112.A NZ GLY 145.A O no hydrogen 2.809 N/A VAL 114.A N GLY 110.A O no hydrogen 3.325 N/A PHE 115.A N TRP 111.A O no hydrogen 2.837 N/A ASP 116.A N LYS 112.A O no hydrogen 2.912 N/A LYS 117.A N GLU 113.A O no hydrogen 3.078 N/A LEU 118.A N VAL 114.A O no hydrogen 2.942 N/A ILE 119.A N PHE 115.A O no hydrogen 3.067 N/A ALA 120.A N ASP 116.A O no hydrogen 3.029 N/A GLN 121.A N LEU 118.A O no hydrogen 3.097 N/A GLY 122.A N ILE 119.A O no hydrogen 3.055 N/A ILE 123.A N LEU 118.A O no hydrogen 3.018 N/A LYS 124.A N GLU 13.A O no hydrogen 2.963 N/A LYS 124.A NZ LEU 173.A O no hydrogen 3.238 N/A LYS 124.A NZ GLU 174.A O no hydrogen 2.783 N/A GLY 126.A N LEU 15.A O no hydrogen 2.879 N/A GLY 127.A N SER 150.A O no hydrogen 2.753 N/A ASN 128.A N LEU 17.A O no hydrogen 3.164 N/A ASN 128.A ND2 GLU 193.A OE1 no hydrogen 2.960 N/A TYR 131.A N THR 129.A OG1 no hydrogen 2.850 N/A ILE 139.A N ALA 135.A O no hydrogen 3.323 N/A ALA 140.A N PRO 136.A O no hydrogen 3.034 N/A ALA 141.A N ALA 137.A O no hydrogen 2.707 N/A LYS 142.A N LEU 138.A O no hydrogen 3.083 N/A GLU 143.A N ILE 139.A O no hydrogen 2.965 N/A GLN 144.A N ALA 140.A O no hydrogen 3.072 N/A GLY 145.A N LYS 142.A O no hydrogen 2.812 N/A TYR 146.A N ALA 141.A O no hydrogen 2.912 N/A ALA 149.A N VAL 125.A O no hydrogen 2.960 N/A SER 150.A OG GLU 172.A OE2 no hydrogen 2.818 N/A VAL 152.A N GLY 127.A O no hydrogen 2.929 N/A PHE 153.A N ASP 156.A OD2 no hydrogen 2.855 N/A ALA 154.A N TYR 131.A O no hydrogen 3.237 N/A ASP 156.A N PHE 153.A O no hydrogen 2.980 N/A ARG 159.A NE ASP 165.A OD2 no hydrogen 3.019 N/A ARG 159.A NH2 ASP 165.A OD1 no hydrogen 2.737 N/A ARG 159.A NH2 ASP 165.A OD2 no hydrogen 3.324 N/A ARG 161.A NH1 ASP 18.A OD1 no hydrogen 3.230 N/A ARG 161.A NH1 GLY 54.A O no hydrogen 3.338 N/A ARG 161.A NH2 ASP 18.A OD1 no hydrogen 2.769 N/A ARG 161.A NH2 ASN 128.A OD1 no hydrogen 2.905 N/A PHE 163.A N GLY 160.A O no hydrogen 3.073 N/A LEU 167.A N PRO 164.A O no hydrogen 3.130 N/A LYS 168.A N ASP 165.A O no hydrogen 3.003 N/A LYS 168.A NZ ASP 156.A O no hydrogen 3.454 N/A ALA 170.A N ALA 166.A O no hydrogen 3.055 N/A LEU 171.A N LEU 167.A O no hydrogen 2.867 N/A GLU 172.A N LYS 168.A O no hydrogen 3.085 N/A LEU 173.A N VAL 169.A O no hydrogen 2.770 N/A GLU 174.A N LEU 171.A O no hydrogen 3.083 N/A VAL 175.A N ALA 170.A O no hydrogen 3.233 N/A HIS 177.A N GLU 13.A OE1 no hydrogen 2.769 N/A ASN 179.A N HIS 177.A ND1 no hydrogen 2.915 N/A GLY 180.A N HIS 177.A O no hydrogen 3.008 N/A CYS 181.A N VAL 178.A O no hydrogen 3.052 N/A CYS 181.A SG HIS 177.A O no hydrogen 3.872 N/A ILE 182.A N ALA 14.A O no hydrogen 3.138 N/A LYS 183.A N TRP 199.A O no hydrogen 2.891 N/A LYS 183.A NZ ASP 185.A OD2 no hydrogen 2.620 N/A LYS 183.A NZ GLY 190.A O no hydrogen 3.548 N/A VAL 184.A N ILE 16.A O no hydrogen 2.673 N/A ASP 185.A N VAL 201.A O no hydrogen 3.038 N/A ASP 186.A N ASP 185.A OD1 no hydrogen 2.853 N/A GLY 190.A N THR 187.A OG1 no hydrogen 3.142 N/A ILE 191.A N THR 187.A O no hydrogen 3.091 N/A GLU 192.A N LEU 188.A O no hydrogen 3.107 N/A GLU 193.A N PRO 189.A O no hydrogen 3.053 N/A GLY 194.A N GLY 190.A O no hydrogen 3.167 N/A LEU 195.A N ILE 191.A O no hydrogen 3.028 N/A ARG 196.A N GLU 192.A O no hydrogen 2.891 N/A ARG 196.A NE GLU 192.A OE2 no hydrogen 2.725 N/A ARG 196.A NH2 GLU 192.A OE2 no hydrogen 2.856 N/A ALA 197.A N GLU 193.A O no hydrogen 3.244 N/A ALA 197.A N GLY 194.A O no hydrogen 3.157 N/A GLY 198.A N LEU 195.A O no hydrogen 3.231 N/A TRP 199.A N CYS 181.A O no hydrogen 2.896 N/A TRP 199.A NE1 ASN 179.A O no hydrogen 2.876 N/A THR 200.A N HIS 242.A ND1 no hydrogen 3.059 N/A THR 200.A OG1 HIS 242.A ND1 no hydrogen 3.227 N/A VAL 201.A N LYS 183.A O no hydrogen 2.762 N/A GLY 202.A N TYR 243.A O no hydrogen 2.696 N/A VAL 203.A N.A ASP 185.A O no hydrogen 3.013 N/A VAL 203.A N.B ASP 185.A O no hydrogen 3.024 N/A SER 204.A N ILE 245.A O no hydrogen 2.889 N/A SER 204.A OG ILE 245.A O no hydrogen 3.273 N/A CYS 205.A N ASP 246.A O no hydrogen 2.959 N/A CYS 205.A SG SER 204.A OG no hydrogen 3.359 N/A SER 206.A OG GLY 21.A O no hydrogen 2.889 N/A ASN 208.A N ASP 186.A OD2 no hydrogen 2.865 N/A ASN 208.A ND2 ARG 51.A O no hydrogen 3.199 N/A VAL 210.A N GLY 207.A O no hydrogen 3.258 N/A GLY 211.A N GLY 207.A O no hydrogen 2.931 N/A ASP 216.A N ASP 213.A OD1 no hydrogen 2.883 N/A TRP 217.A N ASP 213.A O no hydrogen 2.953 N/A GLN 218.A N ARG 214.A O no hydrogen 2.853 N/A ALA 219.A N GLU 215.A O no hydrogen 3.132 N/A LEU 220.A N TRP 217.A O no hydrogen 3.280 N/A SER 221.A N GLU 224.A OE1 no hydrogen 2.722 N/A SER 221.A OG GLU 224.A OE1 no hydrogen 2.968 N/A GLN 225.A N SER 221.A O no hydrogen 2.920 N/A GLN 225.A NE2 TRP 217.A O no hydrogen 2.760 N/A GLN 226.A N SER 222.A O no hydrogen 2.686 N/A SER 227.A N ASP 223.A O no hydrogen 2.943 N/A TYR 228.A N GLU 224.A O no hydrogen 3.092 N/A ARG 229.A N GLN 225.A O no hydrogen 2.859 N/A ARG 229.A NE ASP 246.A OD1 no hydrogen 2.958 N/A ARG 229.A NH1 GLN 226.A OE1 no hydrogen 3.005 N/A ARG 229.A NH2 ASP 246.A OD2 no hydrogen 2.692 N/A GLN 230.A N GLN 226.A O no hydrogen 2.972 N/A HIS 231.A N SER 227.A O no hydrogen 3.169 N/A ALA 232.A N TYR 228.A O no hydrogen 2.905 N/A GLU 233.A N ARG 229.A O no hydrogen 2.774 N/A GLN 234.A N GLN 230.A O no hydrogen 3.116 N/A ARG 235.A N HIS 231.A O no hydrogen 3.155 N/A ARG 235.A NE GLU 209.A OE1 no hydrogen 2.728 N/A ARG 235.A NE GLU 209.A OE2 no hydrogen 3.335 N/A ARG 235.A NH2 GLU 209.A OE2 no hydrogen 2.779 N/A LEU 236.A N ALA 232.A O no hydrogen 3.068 N/A PHE 237.A N GLU 233.A O no hydrogen 2.775 N/A ASN 238.A N GLN 234.A O no hydrogen 3.156 N/A ASN 238.A ND2 GLN 234.A O no hydrogen 2.698 N/A ALA 239.A N ARG 235.A O no hydrogen 3.040 N/A ALA 239.A N LEU 236.A O no hydrogen 2.931 N/A GLY 240.A N LEU 236.A O no hydrogen 3.108 N/A GLY 240.A N PHE 237.A O no hydrogen 3.188 N/A ALA 241.A N LEU 236.A O no hydrogen 3.112 N/A HIS 242.A N THR 200.A OG1 no hydrogen 3.067 N/A HIS 242.A NE2 PRO 268.A OXT no hydrogen 2.698 N/A TYR 243.A N THR 200.A O no hydrogen 3.182 N/A TYR 243.A OH ASP 257.A OD2 no hydrogen 2.424 N/A ILE 245.A N GLY 202.A O no hydrogen 2.852 N/A SER 247.A OG ASP 250.A OD2.B no hydrogen 3.538 N/A ALA 249.A N SER 247.A OG no hydrogen 3.144 N/A ASP 250.A N.A SER 247.A O no hydrogen 3.099 N/A ASP 250.A N.B SER 247.A O no hydrogen 3.059 N/A LEU 251.A N VAL 248.A O no hydrogen 3.271 N/A THR 253.A OG1 ASP 250.A OD1.A no hydrogen 3.310 N/A ILE 255.A N LEU 251.A O no hydrogen 3.184 N/A THR 256.A N GLU 252.A O no hydrogen 3.145 N/A THR 256.A OG1 GLU 252.A O no hydrogen 3.178 N/A ASP 257.A N THR 253.A O no hydrogen 2.980 N/A VAL 258.A N VAL 254.A O no hydrogen 2.834 N/A ASN 259.A N ILE 255.A O no hydrogen 2.797 N/A ARG 260.A N THR 256.A O no hydrogen 3.098 N/A ARG 260.A NE ASP 257.A OD1 no hydrogen 3.494 N/A ARG 260.A NH2 ASP 257.A OD1 no hydrogen 3.052 N/A ARG 260.A NH2 ASP 257.A OD2 no hydrogen 3.480 N/A ARG 261.A N ASP 257.A O no hydrogen 2.967 N/A ARG 261.A NE GLU 266.A OE2 no hydrogen 2.617 N/A ARG 261.A NH1 TYR 243.A OH no hydrogen 3.001 N/A ARG 261.A NH2 GLU 266.A OE2 no hydrogen 3.131 N/A LEU 262.A N VAL 258.A O no hydrogen 2.961 N/A ALA 263.A N ASN 259.A O no hydrogen 3.037 N/A ARG 264.A N ARG 260.A O no hydrogen 3.305 N/A ARG 264.A NH1 GLU 266.A OE1 no hydrogen 2.992 N/A GLY 265.A N LEU 262.A O no hydrogen 2.855 N/A GLU 266.A N ARG 261.A O no hydrogen 2.777 N/A