Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iqr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 3.A SG SER 18.A O no hydrogen 3.823 N/A ALA 4.A N SER 18.A O no hydrogen 2.958 N/A ALA 10.A N ALA 1.A O no hydrogen 3.113 N/A THR 11.A N SER 19.A O no hydrogen 3.243 N/A THR 11.A OG1 HIS 14.A NE2 no hydrogen 2.617 N/A THR 11.A OG1 ASP 21.A OD2 no hydrogen 2.847 N/A HIS 14.A N ALA 17.A O no hydrogen 2.713 N/A HIS 14.A NE2 THR 11.A OG1 no hydrogen 2.617 N/A ALA 17.A N HIS 14.A O no hydrogen 3.079 N/A LYS 24.A N CYS 20.A O no hydrogen 3.148 N/A GLY 25.A N ASP 21.A O no hydrogen 3.098 N/A PHE 26.A N GLY 22.A O no hydrogen 2.954 N/A PHE 27.A N CYS 23.A O no hydrogen 2.884 N/A ARG 28.A N LYS 24.A O no hydrogen 3.191 N/A ARG 29.A N GLY 25.A O no hydrogen 2.944 N/A SER 30.A N PHE 26.A O no hydrogen 3.082 N/A SER 30.A OG PHE 26.A O no hydrogen 2.863 N/A SER 30.A OG TYR 37.A OH no hydrogen 2.686 N/A VAL 31.A N PHE 27.A O no hydrogen 3.024 N/A ARG 32.A N ARG 28.A O no hydrogen 2.934 N/A ARG 32.A NE GLN 74.A O no hydrogen 3.290 N/A ARG 32.A NH2 GLN 74.A O no hydrogen 3.336 N/A LYS 33.A N ARG 29.A O no hydrogen 3.275 N/A ASN 34.A N VAL 31.A O no hydrogen 3.214 N/A HIS 35.A N SER 30.A O no hydrogen 2.962 N/A TYR 37.A OH SER 30.A OG no hydrogen 2.686 N/A SER 42.A OG GLN 44.A OE1 no hydrogen 2.835 N/A GLN 44.A NE2 ARG 251.A O no hydrogen 3.425 N/A GLN 44.A NE2 TYR 253.A O no hydrogen 3.443 N/A LYS 51.A N ASP 48.A OD1 no hydrogen 2.953 N/A ARG 59.A N CYS 55.A O no hydrogen 3.103 N/A ARG 59.A N ARG 56.A O no hydrogen 3.135 N/A LEU 60.A N ARG 56.A O no hydrogen 2.949 N/A LYS 61.A N TYR 57.A O no hydrogen 2.987 N/A LYS 62.A N CYS 58.A O no hydrogen 3.152 N/A LYS 62.A NZ ILE 5.A O no hydrogen 2.937 N/A CYS 63.A N ARG 59.A O no hydrogen 3.017 N/A CYS 63.A SG ARG 59.A O no hydrogen 3.279 N/A PHE 64.A N LEU 60.A O no hydrogen 3.128 N/A ARG 65.A N LYS 61.A O no hydrogen 2.872 N/A ARG 65.A NH1 ASP 250.A OD1 no hydrogen 2.680 N/A ARG 65.A NH1 ASP 250.A OD2 no hydrogen 3.504 N/A ARG 65.A NH2 ASP 250.A OD2 no hydrogen 2.939 N/A ALA 66.A N LYS 62.A O no hydrogen 2.861 N/A ALA 66.A N CYS 63.A O no hydrogen 2.999 N/A LYS 69.A N TYR 15.A O no hydrogen 2.744 N/A ALA 72.A N LYS 69.A O no hydrogen 3.077 N/A GLN 82.A N ALA 79.A O no hydrogen 3.107 N/A ALA 83.A N LEU 80.A O no hydrogen 3.022 N/A GLU 84.A N LEU 80.A O no hydrogen 3.233 N/A LEU 86.A N ALA 83.A O no hydrogen 3.163 N/A SER 87.A N ALA 83.A O no hydrogen 2.843 N/A SER 87.A OG ALA 83.A O no hydrogen 2.997 N/A SER 87.A OG GLU 84.A O no hydrogen 3.495 N/A ARG 88.A NH1 GLU 84.A OE2 no hydrogen 3.312 N/A GLN 89.A N LEU 86.A O no hydrogen 3.196 N/A THR 91.A N ARG 88.A O no hydrogen 2.927 N/A THR 91.A OG1 ARG 88.A O no hydrogen 2.829 N/A SER 95.A OG ASP 173.A OD1 no hydrogen 3.194 N/A ASN 98.A N SER 95.A O no hydrogen 2.938 N/A ALA 103.A N ASP 100.A O no hydrogen 2.641 N/A LYS 104.A N ILE 101.A O no hydrogen 3.171 N/A LYS 104.A NZ GLY 96.A O no hydrogen 3.276 N/A LYS 104.A NZ GLY 99.A O no hydrogen 3.099 N/A LYS 104.A NZ ASP 173.A OD2 no hydrogen 2.756 N/A ALA 107.A N ILE 175.A O no hydrogen 3.032 N/A SER 108.A N ASP 111.A OD2 no hydrogen 2.573 N/A SER 108.A OG ASP 111.A OD2 no hydrogen 2.535 N/A ASP 111.A N SER 108.A O no hydrogen 2.484 N/A VAL 112.A N SER 108.A O no hydrogen 3.066 N/A CYS 113.A N ILE 109.A O no hydrogen 3.102 N/A CYS 113.A SG ILE 109.A O no hydrogen 3.310 N/A GLU 114.A N ALA 110.A O no hydrogen 3.125 N/A GLU 114.A N ASP 111.A O no hydrogen 3.166 N/A SER 115.A N ASP 111.A O no hydrogen 2.885 N/A MET 116.A N VAL 112.A O no hydrogen 2.955 N/A LYS 117.A N CYS 113.A O no hydrogen 3.375 N/A LYS 117.A NZ ASP 292.A OD1 no hydrogen 3.130 N/A GLU 118.A N GLU 114.A O no hydrogen 3.242 N/A GLN 119.A N SER 115.A O no hydrogen 2.945 N/A LEU 120.A N MET 116.A O no hydrogen 2.730 N/A LEU 121.A N LYS 117.A O no hydrogen 3.294 N/A VAL 122.A N GLU 118.A O no hydrogen 3.007 N/A LEU 123.A N GLN 119.A O no hydrogen 2.881 N/A VAL 124.A N LEU 120.A O no hydrogen 3.435 N/A GLU 125.A N LEU 121.A O no hydrogen 3.407 N/A TRP 126.A N VAL 122.A O no hydrogen 2.857 N/A ALA 127.A N LEU 123.A O no hydrogen 3.075 N/A LYS 128.A N VAL 124.A O no hydrogen 3.343 N/A LYS 128.A NZ GLU 125.A OE1 no hydrogen 3.355 N/A LYS 128.A NZ GLU 125.A OE2 no hydrogen 3.455 N/A TYR 129.A N TRP 126.A O no hydrogen 3.288 N/A ILE 130.A N ALA 127.A O no hydrogen 2.779 N/A PHE 133.A N ILE 130.A O no hydrogen 2.793 N/A CYS 134.A N ILE 130.A O no hydrogen 3.071 N/A CYS 134.A SG LYS 128.A O no hydrogen 3.280 N/A CYS 134.A SG ILE 130.A O no hydrogen 3.553 N/A GLU 135.A N PRO 131.A O no hydrogen 2.904 N/A LEU 136.A N PHE 133.A O no hydrogen 3.292 N/A GLN 141.A N PRO 137.A O no hydrogen 3.223 N/A GLN 141.A N LEU 138.A O no hydrogen 3.028 N/A GLN 141.A NE2 PHE 133.A O no hydrogen 3.173 N/A VAL 142.A N LEU 138.A O no hydrogen 3.349 N/A ALA 143.A N ASP 139.A O no hydrogen 2.913 N/A LEU 144.A N ASP 140.A O no hydrogen 3.118 N/A LEU 145.A N GLN 141.A O no hydrogen 3.200 N/A ARG 146.A N VAL 142.A O no hydrogen 3.016 N/A ARG 146.A NE GLU 297.A O no hydrogen 3.348 N/A ARG 146.A NH2 GLU 297.A O no hydrogen 3.488 N/A HIS 148.A ND1 GLU 151.A OE2 no hydrogen 2.972 N/A HIS 148.A NE2 ASP 221.A OD2 no hydrogen 3.138 N/A GLU 151.A N GLU 151.A OE1 no hydrogen 2.544 N/A HIS 152.A N HIS 148.A O no hydrogen 3.292 N/A LEU 153.A N ALA 149.A O no hydrogen 3.235 N/A LEU 154.A N GLY 150.A O no hydrogen 3.266 N/A LEU 155.A N GLU 151.A O no hydrogen 2.795 N/A GLY 156.A N HIS 152.A O no hydrogen 2.932 N/A ALA 157.A N LEU 153.A O no hydrogen 3.010 N/A THR 158.A N LEU 154.A O no hydrogen 2.837 N/A THR 158.A OG1 LEU 154.A O no hydrogen 2.877 N/A LYS 159.A N LEU 155.A O no hydrogen 3.114 N/A LYS 159.A NZ ASP 208.A OD2 no hydrogen 3.276 N/A ARG 160.A N GLY 156.A O no hydrogen 3.013 N/A SER 161.A N ALA 157.A O no hydrogen 2.924 N/A SER 161.A N THR 158.A O no hydrogen 2.890 N/A SER 161.A OG ALA 157.A O no hydrogen 3.064 N/A PHE 164.A N SER 161.A O no hydrogen 3.031 N/A LEU 168.A N VAL 176.A O no hydrogen 2.992 N/A LEU 169.A N SER 161.A OG no hydrogen 2.752 N/A LEU 170.A N TYR 174.A O no hydrogen 2.893 N/A GLY 171.A N SER 115.A OG no hydrogen 3.175 N/A ASN 172.A ND2 ASP 111.A O no hydrogen 3.362 N/A ASP 173.A N LEU 170.A O no hydrogen 3.301 N/A ILE 175.A N LYS 105.A O no hydrogen 3.172 N/A VAL 176.A N LEU 168.A O no hydrogen 2.898 N/A ARG 178.A N ASP 166.A O no hydrogen 3.001 N/A ARG 178.A NH1 ASP 195.A OD1 no hydrogen 3.276 N/A ARG 178.A NH1 ASP 195.A OD2 no hydrogen 3.380 N/A ARG 178.A NH2 ASP 195.A OD1 no hydrogen 3.311 N/A ARG 178.A NH2 ASP 195.A OD2 no hydrogen 2.973 N/A CYS 180.A SG GLU 182.A OE2 no hydrogen 3.706 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.665 N/A LEU 183.A N CYS 180.A O no hydrogen 3.056 N/A ALA 184.A N CYS 180.A O no hydrogen 3.422 N/A MET 186.A N LEU 183.A O no hydrogen 3.200 N/A SER 187.A N ALA 184.A O no hydrogen 3.210 N/A SER 190.A N MET 186.A O no hydrogen 3.496 N/A SER 190.A OG SER 187.A O no hydrogen 2.609 N/A ILE 191.A N SER 187.A O no hydrogen 2.748 N/A ARG 192.A N ARG 188.A O no hydrogen 3.235 N/A ARG 192.A NH1 GLU 196.A OE2 no hydrogen 3.557 N/A ARG 192.A NH2 SER 271.A OG no hydrogen 2.973 N/A ILE 193.A N VAL 189.A O no hydrogen 2.908 N/A LEU 194.A N SER 190.A O no hydrogen 3.116 N/A ASP 195.A N ILE 191.A O no hydrogen 2.961 N/A GLU 196.A N ARG 192.A O no hydrogen 2.752 N/A LEU 197.A N ILE 193.A O no hydrogen 2.970 N/A VAL 198.A N ILE 193.A O no hydrogen 2.893 N/A LEU 199.A N LEU 194.A O no hydrogen 3.185 N/A PHE 201.A N LEU 197.A O no hydrogen 3.067 N/A GLN 202.A N VAL 198.A O no hydrogen 2.922 N/A GLN 202.A NE2 MET 162.A O no hydrogen 2.987 N/A GLN 202.A NE2 PHE 164.A O no hydrogen 2.940 N/A GLU 203.A N LEU 199.A O no hydrogen 2.766 N/A LEU 204.A N PRO 200.A O no hydrogen 2.787 N/A GLN 205.A N PHE 201.A O no hydrogen 2.494 N/A GLN 205.A NE2 GLN 202.A O no hydrogen 2.961 N/A ASP 207.A N GLU 210.A OE2 no hydrogen 3.090 N/A ASN 209.A N ASP 207.A OD2 no hydrogen 2.795 N/A ASN 209.A ND2 TYR 247.A OH no hydrogen 2.813 N/A GLU 210.A N ASP 207.A OD2 no hydrogen 2.964 N/A TYR 211.A N ASP 207.A O no hydrogen 3.175 N/A ALA 212.A N ASP 208.A O no hydrogen 3.148 N/A TYR 213.A N ASN 209.A O no hydrogen 2.922 N/A LEU 214.A N GLU 210.A O no hydrogen 3.147 N/A LYS 215.A N TYR 211.A O no hydrogen 2.989 N/A LYS 215.A NZ HIS 152.A ND1 no hydrogen 3.157 N/A ALA 216.A N ALA 212.A O no hydrogen 2.934 N/A ILE 217.A N TYR 213.A O no hydrogen 2.788 N/A ILE 218.A N LEU 214.A O no hydrogen 2.865 N/A PHE 219.A N LYS 215.A O no hydrogen 3.004 N/A PHE 220.A N ALA 216.A O no hydrogen 3.073 N/A ASP 221.A N PHE 219.A O no hydrogen 3.000 N/A ASP 223.A N ASP 221.A OD1 no hydrogen 3.003 N/A ALA 224.A N ASP 221.A O no hydrogen 2.810 N/A LEU 227.A N ALA 224.A O no hydrogen 3.333 N/A SER 228.A N ASP 140.A OD1 no hydrogen 3.475 N/A SER 228.A N ASP 140.A OD2 no hydrogen 2.985 N/A SER 228.A OG ASP 140.A OD1 no hydrogen 2.635 N/A LYS 232.A N ASP 229.A OD2 no hydrogen 3.146 N/A LYS 234.A N PRO 230.A O no hydrogen 2.837 N/A ARG 235.A N GLY 231.A O no hydrogen 2.963 N/A LEU 236.A N LYS 232.A O no hydrogen 3.126 N/A LEU 236.A N ILE 233.A O no hydrogen 2.978 N/A ARG 237.A N ILE 233.A O no hydrogen 2.877 N/A SER 238.A N LYS 234.A O no hydrogen 2.904 N/A VAL 240.A N LEU 236.A O no hydrogen 3.082 N/A GLN 241.A N ARG 237.A O no hydrogen 2.925 N/A VAL 242.A N SER 238.A O no hydrogen 3.167 N/A SER 243.A N VAL 240.A O no hydrogen 3.050 N/A SER 243.A OG GLN 239.A O no hydrogen 3.243 N/A LEU 244.A N VAL 240.A O no hydrogen 3.183 N/A GLU 245.A N GLN 241.A O no hydrogen 3.378 N/A ASP 246.A N VAL 242.A O no hydrogen 3.227 N/A TYR 247.A N SER 243.A O no hydrogen 2.819 N/A TYR 247.A OH ASP 207.A OD1 no hydrogen 3.077 N/A TYR 247.A OH ASP 207.A OD2 no hydrogen 2.926 N/A ILE 248.A N LEU 244.A O no hydrogen 2.877 N/A ASN 249.A N GLU 245.A O no hydrogen 2.948 N/A ASN 249.A ND2 ARG 43.A O no hydrogen 3.359 N/A ASP 250.A N TYR 247.A O no hydrogen 2.942 N/A ARG 251.A N ILE 248.A O no hydrogen 3.216 N/A SER 255.A OG ILE 248.A O no hydrogen 2.849 N/A ARG 258.A N SER 255.A O no hydrogen 2.872 N/A ARG 258.A NE GLU 210.A OE1 no hydrogen 2.678 N/A ARG 258.A NH1 LEU 204.A O no hydrogen 3.239 N/A ARG 258.A NH2 LEU 204.A O no hydrogen 2.916 N/A ARG 258.A NH2 GLU 210.A OE1 no hydrogen 3.226 N/A ARG 258.A NH2 GLU 210.A OE2 no hydrogen 2.943 N/A GLU 261.A N GLY 257.A O no hydrogen 3.169 N/A LEU 262.A N ARG 258.A O no hydrogen 3.068 N/A LEU 263.A N PHE 259.A O no hydrogen 3.157 N/A LEU 264.A N GLY 260.A O no hydrogen 2.983 N/A LEU 265.A N LEU 262.A O no hydrogen 3.310 N/A LEU 266.A N LEU 263.A O no hydrogen 3.328 N/A LEU 269.A N LEU 265.A O no hydrogen 2.690 N/A GLN 270.A N LEU 266.A O no hydrogen 2.952 N/A SER 271.A N PRO 267.A O no hydrogen 2.932 N/A ILE 272.A N THR 268.A O no hydrogen 3.124 N/A THR 273.A N LEU 269.A O no hydrogen 3.129 N/A THR 273.A OG1 LEU 269.A O no hydrogen 3.030 N/A TRP 274.A N GLN 270.A O no hydrogen 3.221 N/A GLN 275.A N SER 271.A O no hydrogen 3.422 N/A MET 276.A N ILE 272.A O no hydrogen 2.987 N/A ILE 277.A N THR 273.A O no hydrogen 2.859 N/A GLU 278.A N TRP 274.A O no hydrogen 2.732 N/A GLN 279.A N GLN 275.A O no hydrogen 2.927 N/A ILE 280.A N MET 276.A O no hydrogen 3.076 N/A GLN 281.A N ILE 277.A O no hydrogen 3.073 N/A PHE 282.A N GLU 278.A O no hydrogen 3.456 N/A ILE 283.A N GLN 279.A O no hydrogen 2.990 N/A LYS 284.A N ILE 280.A O no hydrogen 2.930 N/A LEU 285.A N GLN 281.A O no hydrogen 2.942 N/A PHE 286.A N PHE 282.A O no hydrogen 3.187 N/A PHE 286.A N ILE 283.A O no hydrogen 3.189 N/A MET 288.A N ILE 283.A O no hydrogen 3.131 N/A LEU 294.A N ASP 292.A OD2 no hydrogen 3.232 N/A GLN 296.A N ASP 292.A O no hydrogen 3.304 N/A GLN 296.A NE2 GLY 302.A O no hydrogen 3.293 N/A GLN 296.A NE2 GLY 302.A OXT no hydrogen 2.916 N/A GLU 297.A N ASN 293.A O no hydrogen 2.933 N/A MET 298.A N LEU 294.A O no hydrogen 2.994 N/A LEU 299.A N LEU 295.A O no hydrogen 2.756 N/A LEU 300.A N LEU 295.A O no hydrogen 2.948 N/A