Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rod_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A OG TYR 36.A OH no hydrogen 2.778 N/A GLN 4.A N SER 1.A O no hydrogen 3.035 N/A GLN 5.A N SER 1.A O no hydrogen 2.996 N/A ARG 6.A N ARG 2.A O no hydrogen 3.188 N/A GLY 7.A N SER 3.A O no hydrogen 3.155 N/A LEU 8.A N GLN 4.A O no hydrogen 2.943 N/A ARG 9.A N GLN 5.A O no hydrogen 3.132 N/A ARG 10.A N ARG 6.A O no hydrogen 3.085 N/A VAL 11.A N GLY 7.A O no hydrogen 2.953 N/A ARG 12.A N LEU 8.A O no hydrogen 3.211 N/A ASP 13.A N ARG 9.A O no hydrogen 3.061 N/A LEU 14.A N ARG 10.A O no hydrogen 2.943 N/A CYS 15.A N VAL 11.A O no hydrogen 3.142 N/A CYS 15.A SG VAL 11.A O no hydrogen 3.399 N/A ARG 16.A N ARG 12.A O no hydrogen 3.170 N/A ARG 16.A NE GLU 25.A OE2 no hydrogen 3.033 N/A ARG 16.A NH2 GLU 25.A OE1 no hydrogen 3.296 N/A VAL 17.A N ASP 13.A O no hydrogen 3.002 N/A LEU 18.A N LEU 14.A O no hydrogen 2.970 N/A GLN 19.A N ARG 16.A O no hydrogen 3.303 N/A LEU 20.A N CYS 15.A O no hydrogen 3.148 N/A PHE 24.A N PRO 21.A O no hydrogen 3.336 N/A THR 27.A OG1 THR 23.A O no hydrogen 3.322 N/A ALA 28.A N PHE 24.A O no hydrogen 3.094 N/A VAL 29.A N GLU 25.A O no hydrogen 3.003 N/A ALA 30.A N ASP 26.A O no hydrogen 3.008 N/A TYR 31.A N THR 27.A O no hydrogen 3.088 N/A TYR 31.A OH GLN 63.A OE1 no hydrogen 2.862 N/A TYR 32.A N ALA 28.A O no hydrogen 3.174 N/A TYR 32.A OH LYS 49.A O no hydrogen 3.198 N/A GLN 33.A N VAL 29.A O no hydrogen 3.096 N/A GLN 34.A N ALA 30.A O no hydrogen 3.062 N/A ALA 35.A N TYR 31.A O no hydrogen 2.940 N/A TYR 36.A N TYR 32.A O no hydrogen 3.053 N/A TYR 36.A OH SER 3.A OG no hydrogen 2.778 N/A HIS 38.A N ALA 35.A O no hydrogen 3.163 N/A ILE 41.A N HIS 38.A O no hydrogen 3.214 N/A ARG 42.A N HIS 38.A O no hydrogen 3.175 N/A ARG 42.A NH1 TYR 36.A O no hydrogen 3.469 N/A ARG 42.A NH1 ARG 37.A O no hydrogen 2.942 N/A ALA 43.A N SER 39.A O no hydrogen 3.040 N/A ALA 44.A N ILE 41.A O no hydrogen 3.230 N/A LYS 48.A NZ GLN 90.A OE1 no hydrogen 2.784 N/A LYS 49.A N ARG 45.A O no hydrogen 3.142 N/A LYS 49.A NZ ARG 42.A O no hydrogen 2.732 N/A LYS 49.A NZ ALA 44.A O no hydrogen 2.772 N/A GLU 50.A N LEU 46.A O no hydrogen 2.974 N/A VAL 51.A N GLN 47.A O no hydrogen 3.126 N/A LEU 52.A N LYS 48.A O no hydrogen 2.851 N/A CYS 55.A N VAL 51.A O no hydrogen 3.092 N/A CYS 55.A SG VAL 51.A O no hydrogen 3.406 N/A CYS 56.A N LEU 52.A O no hydrogen 3.156 N/A CYS 56.A SG LEU 52.A O no hydrogen 3.304 N/A VAL 57.A N VAL 53.A O no hydrogen 3.376 N/A LEU 58.A N GLY 54.A O no hydrogen 2.851 N/A ILE 59.A N CYS 55.A O no hydrogen 2.983 N/A THR 60.A N CYS 56.A O no hydrogen 3.223 N/A THR 60.A OG1 CYS 56.A O no hydrogen 2.850 N/A CYS 61.A N VAL 57.A O no hydrogen 2.999 N/A CYS 61.A SG VAL 57.A O no hydrogen 3.217 N/A ARG 62.A N LEU 58.A O no hydrogen 2.829 N/A ARG 62.A NH1 PRO 100.A O no hydrogen 2.922 N/A GLN 63.A N ILE 59.A O no hydrogen 3.091 N/A GLN 63.A NE2 TYR 31.A OH no hydrogen 2.788 N/A HIS 64.A N THR 60.A O no hydrogen 3.321 N/A HIS 64.A N CYS 61.A O no hydrogen 3.161 N/A ASN 65.A N ARG 62.A O no hydrogen 3.377 N/A TRP 66.A N CYS 61.A O no hydrogen 2.806 N/A LEU 68.A N TRP 66.A O no hydrogen 2.926 N/A ALA 72.A N THR 69.A OG1 no hydrogen 3.149 N/A ILE 73.A N THR 69.A O no hydrogen 3.232 N/A CYS 74.A N MET 70.A O no hydrogen 3.191 N/A CYS 74.A SG MET 70.A O no hydrogen 3.212 N/A CYS 74.A SG ASP 80.A O no hydrogen 3.992 N/A THR 75.A N GLY 71.A O no hydrogen 3.086 N/A THR 75.A OG1 GLY 71.A O no hydrogen 2.887 N/A LEU 76.A N ALA 72.A O no hydrogen 3.137 N/A LEU 77.A N ILE 73.A O no hydrogen 2.942 N/A TYR 78.A N THR 75.A O no hydrogen 3.441 N/A ALA 79.A N CYS 74.A O no hydrogen 2.862 N/A ASP 82.A N ASP 80.A OD1 no hydrogen 3.301 N/A PHE 84.A N ASP 80.A O no hydrogen 3.156 N/A SER 85.A N LEU 81.A O no hydrogen 2.804 N/A SER 86.A N ASP 82.A O no hydrogen 3.243 N/A SER 86.A OG ASP 82.A O no hydrogen 3.350 N/A SER 86.A OG VAL 83.A O no hydrogen 3.188 N/A THR 87.A N VAL 83.A O no hydrogen 3.264 N/A THR 87.A OG1 VAL 83.A O no hydrogen 2.825 N/A TYR 88.A N PHE 84.A O no hydrogen 2.919 N/A MET 89.A N SER 85.A O no hydrogen 3.148 N/A GLN 90.A N SER 86.A O no hydrogen 3.172 N/A ILE 91.A N THR 87.A O no hydrogen 3.007 N/A VAL 92.A N TYR 88.A O no hydrogen 3.057 N/A LYS 93.A N MET 89.A O no hydrogen 3.277 N/A LEU 94.A N GLN 90.A O no hydrogen 2.900 N/A LEU 95.A N ILE 91.A O no hydrogen 2.981 N/A LEU 97.A N VAL 92.A O no hydrogen 2.964 N/A LEU 107.A N CYS 103.A O no hydrogen 3.046 N/A VAL 108.A N LEU 104.A O no hydrogen 2.840 N/A LYS 109.A N ALA 105.A O no hydrogen 3.347 N/A LYS 109.A NZ ALA 105.A O no hydrogen 3.386 N/A LYS 109.A NZ GLU 106.A OE2 no hydrogen 2.903 N/A THR 110.A N GLU 106.A O no hydrogen 3.086 N/A THR 110.A OG1 GLU 106.A O no hydrogen 3.183 N/A TYR 111.A N LEU 107.A O no hydrogen 2.849 N/A TYR 111.A OH THR 162.A OG1 no hydrogen 2.842 N/A CYS 112.A N VAL 108.A O no hydrogen 2.915 N/A CYS 112.A SG THR 139.A OG1 no hydrogen 3.667 N/A SER 113.A N LYS 109.A O no hydrogen 3.339 N/A SER 113.A OG LYS 109.A O no hydrogen 2.756 N/A SER 114.A N TYR 111.A O no hydrogen 3.150 N/A SER 114.A OG TYR 111.A O no hydrogen 2.693 N/A PHE 115.A N CYS 112.A O no hydrogen 3.230 N/A LYS 116.A N ALA 189.A O no hydrogen 2.902 N/A LYS 116.A NZ ASN 190.A OD1 no hydrogen 3.397 N/A LEU 117.A N PHE 115.A O no hydrogen 2.942 N/A SER 121.A N VAL 124.A O no hydrogen 2.932 N/A SER 121.A OG SER 123.A OG no hydrogen 3.267 N/A SER 123.A OG SER 121.A OG no hydrogen 3.267 N/A VAL 124.A N SER 121.A O no hydrogen 2.965 N/A VAL 124.A N SER 121.A OG no hydrogen 3.177 N/A LYS 127.A NZ ASP 176.A OD2 no hydrogen 3.449 N/A TYR 128.A N PRO 125.A O no hydrogen 2.952 N/A VAL 129.A N ALA 126.A O no hydrogen 3.246 N/A GLU 130.A N LEU 117.A O no hydrogen 2.880 N/A ASP 131.A N GLU 130.A OE2 no hydrogen 2.914 N/A MET 135.A N ASP 131.A O no hydrogen 3.063 N/A LEU 136.A N LYS 132.A O no hydrogen 3.044 N/A SER 137.A N GLU 133.A O no hydrogen 3.119 N/A ARG 138.A N LYS 134.A O no hydrogen 3.220 N/A ARG 138.A NH1 SER 171.A OG no hydrogen 2.972 N/A THR 139.A N MET 135.A O no hydrogen 2.924 N/A THR 139.A OG1 MET 135.A O no hydrogen 2.696 N/A MET 140.A N LEU 136.A O no hydrogen 3.024 N/A GLN 141.A N SER 137.A O no hydrogen 3.273 N/A GLN 141.A NE2 SER 137.A O no hydrogen 3.240 N/A LEU 142.A N ARG 138.A O no hydrogen 3.074 N/A VAL 143.A N THR 139.A O no hydrogen 2.937 N/A VAL 143.A N MET 140.A O no hydrogen 3.180 N/A GLU 144.A N MET 140.A O no hydrogen 2.972 N/A LEU 145.A N GLN 141.A O no hydrogen 3.065 N/A ALA 146.A N LEU 142.A O no hydrogen 3.032 N/A ASN 147.A N VAL 143.A O no hydrogen 2.934 N/A GLU 148.A N GLU 144.A O no hydrogen 2.903 N/A THR 149.A N LEU 145.A O no hydrogen 2.985 N/A THR 149.A OG1 LEU 145.A O no hydrogen 2.675 N/A LEU 151.A N ALA 146.A O no hydrogen 2.863 N/A ARG 155.A N VAL 152.A O no hydrogen 3.092 N/A ARG 155.A NH1 LEU 151.A O no hydrogen 2.939 N/A ARG 155.A NH1 GLU 203.A OE1 no hydrogen 2.796 N/A ARG 155.A NH2 GLU 203.A OE2 no hydrogen 3.035 N/A VAL 160.A N PRO 157.A O no hydrogen 3.210 N/A ILE 161.A N PRO 157.A O no hydrogen 3.362 N/A THR 162.A N LEU 158.A O no hydrogen 2.913 N/A THR 162.A OG1 TYR 111.A OH no hydrogen 2.842 N/A THR 162.A OG1 LEU 158.A O no hydrogen 3.010 N/A ALA 163.A N PRO 159.A O no hydrogen 3.093 N/A ALA 164.A N VAL 160.A O no hydrogen 2.980 N/A THR 165.A N ILE 161.A O no hydrogen 2.848 N/A THR 165.A OG1 ILE 161.A O no hydrogen 2.737 N/A PHE 166.A N THR 162.A O no hydrogen 3.172 N/A LEU 167.A N ALA 163.A O no hydrogen 3.145 N/A ALA 168.A N ALA 164.A O no hydrogen 2.916 N/A TRP 169.A N THR 165.A O no hydrogen 2.983 N/A TRP 169.A NE1 TYR 128.A O no hydrogen 2.818 N/A GLN 170.A N PHE 166.A O no hydrogen 2.896 N/A GLN 170.A NE2 ARG 177.A O no hydrogen 3.182 N/A SER 171.A N LEU 167.A O no hydrogen 3.009 N/A SER 171.A OG LEU 167.A O no hydrogen 3.022 N/A SER 171.A OG ALA 168.A O no hydrogen 2.880 N/A LEU 172.A N TRP 169.A O no hydrogen 3.336 N/A GLN 173.A N GLN 170.A O no hydrogen 3.334 N/A ARG 177.A N PRO 174.A O no hydrogen 3.380 N/A ARG 177.A NE LYS 127.A O no hydrogen 2.954 N/A ARG 177.A NH1 GLU 130.A OE1 no hydrogen 2.715 N/A ARG 177.A NH1 TRP 169.A O no hydrogen 2.872 N/A ARG 177.A NH2 LYS 127.A O no hydrogen 3.012 N/A ARG 177.A NH2 GLU 130.A OE1 no hydrogen 3.121 N/A LEU 178.A N PRO 174.A O no hydrogen 3.245 N/A CYS 180.A N ARG 177.A O no hydrogen 3.259 N/A CYS 180.A SG SER 181.A O no hydrogen 3.642 N/A ARG 184.A N SER 181.A OG no hydrogen 3.160 N/A ARG 184.A NH1 TYR 128.A OH no hydrogen 2.854 N/A PHE 185.A N SER 181.A O no hydrogen 3.020 N/A CYS 186.A N LEU 182.A O no hydrogen 3.054 N/A CYS 186.A SG LEU 182.A O no hydrogen 3.382 N/A LYS 187.A N ALA 183.A O no hydrogen 3.264 N/A LEU 188.A N ARG 184.A O no hydrogen 3.103 N/A ALA 189.A N PHE 185.A O no hydrogen 3.050 N/A ASN 190.A N LYS 187.A O no hydrogen 3.378 N/A VAL 191.A N CYS 186.A O no hydrogen 2.872 N/A ALA 197.A N PRO 194.A O no hydrogen 3.072 N/A ARG 200.A N PRO 196.A O no hydrogen 3.155 N/A ARG 200.A NE GLU 203.A OE1 no hydrogen 2.873 N/A ARG 200.A NH2 GLU 203.A OE2 no hydrogen 3.182 N/A LEU 201.A N ALA 197.A O no hydrogen 3.054 N/A GLN 202.A N SER 198.A O no hydrogen 3.250 N/A GLU 203.A N SER 199.A O no hydrogen 3.053 N/A LEU 204.A N ARG 200.A O no hydrogen 2.857 N/A LEU 205.A N LEU 201.A O no hydrogen 2.924 N/A ALA 206.A N GLN 202.A O no hydrogen 3.070 N/A VAL 207.A N GLU 203.A O no hydrogen 3.072 N/A LEU 208.A N LEU 204.A O no hydrogen 3.105 N/A LEU 209.A N LEU 205.A O no hydrogen 2.996 N/A ARG 210.A N ALA 206.A O no hydrogen 3.129 N/A MET 211.A N VAL 207.A O no hydrogen 3.124 N/A ALA 212.A N LEU 208.A O no hydrogen 2.988 N/A GLU 213.A N LEU 209.A O no hydrogen 3.340 N/A GLU 213.A N ARG 210.A O no hydrogen 3.250 N/A GLN 214.A N MET 211.A O no hydrogen 2.888 N/A GLN 214.A NE2 SER 245.A OG no hydrogen 3.194 N/A LEU 215.A N ALA 212.A O no hydrogen 3.277 N/A LEU 218.A N LEU 215.A O no hydrogen 2.988 N/A ARG 219.A N LEU 215.A O no hydrogen 2.843 N/A ARG 219.A NH1 GLU 213.A O no hydrogen 3.153 N/A VAL 220.A N ALA 216.A O no hydrogen 3.357 N/A LEU 221.A N LEU 218.A O no hydrogen 3.271 N/A ARG 222.A N ARG 219.A O no hydrogen 3.461 N/A ARG 222.A NH1 ARG 219.A O no hydrogen 2.766 N/A ASP 224.A N SER 227.A OG no hydrogen 2.964 N/A ARG 226.A NH2 LEU 178.A O no hydrogen 2.805 N/A SER 227.A N ASP 224.A OD1 no hydrogen 3.138 N/A SER 227.A OG ASP 224.A OD1 no hydrogen 2.444 N/A VAL 228.A N ASP 224.A O no hydrogen 2.987 N/A LYS 230.A NZ SER 227.A O no hydrogen 2.960 N/A HIS 231.A N VAL 228.A O no hydrogen 2.980 N/A ILE 232.A N VAL 229.A O no hydrogen 3.296 N/A LEU 235.A N HIS 231.A O no hydrogen 2.973 N/A LEU 236.A N ILE 232.A O no hydrogen 2.849 N/A GLN 237.A N GLY 233.A O no hydrogen 3.152 N/A ARG 239.A N LEU 236.A O no hydrogen 3.248 N/A ARG 239.A NH1 GLU 148.A OE1 no hydrogen 2.971 N/A ARG 239.A NH1 GLU 148.A OE2 no hydrogen 3.229 N/A LEU 242.A N HIS 238.A O no hydrogen 2.975 N/A VAL 243.A N ARG 239.A O no hydrogen 2.941 N/A ARG 244.A N GLN 240.A O no hydrogen 3.260 N/A SER 245.A N SER 241.A O no hydrogen 3.167 N/A ALA 246.A N LEU 242.A O no hydrogen 3.051 N/A PHE 247.A N VAL 243.A O no hydrogen 3.068 N/A ARG 248.A N ARG 244.A O no hydrogen 3.066 N/A ARG 248.A NH2 SER 245.A OG no hydrogen 3.141 N/A ASP 249.A N SER 245.A O no hydrogen 3.278 N/A MET 257.A N PRO 254.A O no hydrogen 2.942 N/A VAL 267.A N CYS 265.A O no hydrogen 2.804 N/A THR 274.A N GLU 277.A OE2 no hydrogen 3.127 N/A THR 274.A OG1 GLU 277.A OE2 no hydrogen 2.978 N/A GLY 275.A N GLU 277.A OE2 no hydrogen 2.749 N/A GLU 285.A N ASP 281.A O no hydrogen 2.890 N/A GLN 286.A NE2 GLU 283.A O no hydrogen 2.822 N/A TYR 287.A N ILE 284.A O no hydrogen 2.910 N/A LEU 288.A N GLU 285.A O no hydrogen 3.168 N/A THR 290.A N GLU 293.A OE1 no hydrogen 3.061 N/A THR 290.A OG1 GLU 293.A OE1 no hydrogen 3.463 N/A GLN 292.A NE2 ASP 296.A OD1 no hydrogen 2.812 N/A GLU 293.A N THR 290.A OG1 no hydrogen 3.174 N/A VAL 294.A N THR 290.A O no hydrogen 2.999 N/A ARG 295.A N PRO 291.A O no hydrogen 2.990 N/A ASP 296.A N GLN 292.A O no hydrogen 2.940 N/A PHE 297.A N GLU 293.A O no hydrogen 3.069 N/A GLN 298.A N VAL 294.A O no hydrogen 2.868 N/A ARG 299.A N ARG 295.A O no hydrogen 2.937 N/A ALA 300.A N ASP 296.A O no hydrogen 3.321 N/A GLN 301.A N PHE 297.A O no hydrogen 3.121 N/A GLN 301.A N GLN 298.A O no hydrogen 3.231 N/A ALA 302.A N ARG 299.A O no hydrogen 3.226 N/A