Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4roc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG TYR 37.A OH no hydrogen 2.720 N/A GLN 5.A N SER 2.A O no hydrogen 2.969 N/A GLN 6.A N SER 2.A O no hydrogen 2.876 N/A ARG 7.A N ARG 3.A O no hydrogen 3.227 N/A GLY 8.A N SER 4.A O no hydrogen 3.148 N/A LEU 9.A N GLN 5.A O no hydrogen 2.848 N/A ARG 10.A N GLN 6.A O no hydrogen 3.120 N/A ARG 11.A N ARG 7.A O no hydrogen 3.006 N/A VAL 12.A N GLY 8.A O no hydrogen 2.900 N/A ARG 13.A N LEU 9.A O no hydrogen 3.248 N/A ASP 14.A N ARG 10.A O no hydrogen 3.071 N/A LEU 15.A N ARG 11.A O no hydrogen 2.946 N/A CYS 16.A N VAL 12.A O no hydrogen 3.155 N/A CYS 16.A SG VAL 12.A O no hydrogen 3.378 N/A ARG 17.A N ARG 13.A O no hydrogen 3.124 N/A ARG 17.A NE GLU 26.A OE2 no hydrogen 3.023 N/A ARG 17.A NH2 GLU 26.A OE1 no hydrogen 3.282 N/A VAL 18.A N ASP 14.A O no hydrogen 3.027 N/A LEU 19.A N LEU 15.A O no hydrogen 2.949 N/A GLN 20.A N ARG 17.A O no hydrogen 3.256 N/A LEU 21.A N CYS 16.A O no hydrogen 3.224 N/A PHE 25.A N PRO 22.A O no hydrogen 3.300 N/A THR 28.A OG1 THR 24.A O no hydrogen 3.412 N/A ALA 29.A N PHE 25.A O no hydrogen 3.105 N/A VAL 30.A N GLU 26.A O no hydrogen 3.011 N/A ALA 31.A N ASP 27.A O no hydrogen 3.003 N/A TYR 32.A N THR 28.A O no hydrogen 3.095 N/A TYR 32.A OH GLN 64.A OE1 no hydrogen 2.888 N/A TYR 33.A N ALA 29.A O no hydrogen 3.133 N/A TYR 33.A OH LYS 50.A O no hydrogen 2.957 N/A GLN 34.A N VAL 30.A O no hydrogen 3.047 N/A GLN 35.A N ALA 31.A O no hydrogen 2.951 N/A ALA 36.A N TYR 32.A O no hydrogen 2.916 N/A TYR 37.A N TYR 33.A O no hydrogen 3.005 N/A TYR 37.A OH SER 4.A OG no hydrogen 2.720 N/A ARG 38.A N GLN 35.A O no hydrogen 3.312 N/A HIS 39.A N ALA 36.A O no hydrogen 3.114 N/A ILE 42.A N HIS 39.A O no hydrogen 3.163 N/A ARG 43.A N HIS 39.A O no hydrogen 3.052 N/A ARG 43.A NH1 TYR 37.A O no hydrogen 3.551 N/A ARG 43.A NH1 ARG 38.A O no hydrogen 2.923 N/A ALA 44.A N SER 40.A O no hydrogen 2.925 N/A ALA 45.A N ILE 42.A O no hydrogen 3.116 N/A LYS 49.A N ARG 46.A O no hydrogen 3.035 N/A LYS 49.A NZ GLN 91.A OE1 no hydrogen 2.772 N/A LYS 50.A N ARG 46.A O no hydrogen 3.189 N/A LYS 50.A NZ ARG 43.A O no hydrogen 2.778 N/A LYS 50.A NZ ALA 45.A O no hydrogen 2.814 N/A GLU 51.A N LEU 47.A O no hydrogen 2.876 N/A VAL 52.A N GLN 48.A O no hydrogen 3.130 N/A LEU 53.A N LYS 49.A O no hydrogen 2.868 N/A VAL 54.A N GLU 51.A O no hydrogen 3.363 N/A CYS 56.A N VAL 52.A O no hydrogen 3.084 N/A CYS 56.A SG VAL 52.A O no hydrogen 3.593 N/A CYS 56.A SG PHE 85.A O no hydrogen 3.971 N/A CYS 57.A N LEU 53.A O no hydrogen 3.066 N/A CYS 57.A SG LEU 53.A O no hydrogen 3.327 N/A VAL 58.A N VAL 54.A O no hydrogen 3.373 N/A LEU 59.A N GLY 55.A O no hydrogen 2.905 N/A ILE 60.A N CYS 56.A O no hydrogen 2.913 N/A THR 61.A N CYS 57.A O no hydrogen 3.266 N/A THR 61.A OG1 CYS 57.A O no hydrogen 2.843 N/A CYS 62.A N VAL 58.A O no hydrogen 2.936 N/A CYS 62.A SG VAL 58.A O no hydrogen 3.363 N/A ARG 63.A N LEU 59.A O no hydrogen 2.801 N/A ARG 63.A NH1 PRO 101.A O no hydrogen 2.933 N/A GLN 64.A N ILE 60.A O no hydrogen 3.054 N/A GLN 64.A NE2 TYR 32.A OH no hydrogen 2.833 N/A HIS 65.A N THR 61.A O no hydrogen 3.257 N/A HIS 65.A N CYS 62.A O no hydrogen 3.179 N/A ASN 66.A N ARG 63.A O no hydrogen 3.302 N/A TRP 67.A N CYS 62.A O no hydrogen 2.773 N/A LEU 69.A N TRP 67.A O no hydrogen 2.939 N/A ALA 73.A N THR 70.A OG1 no hydrogen 3.180 N/A ILE 74.A N THR 70.A O no hydrogen 3.213 N/A CYS 75.A N MET 71.A O no hydrogen 3.116 N/A CYS 75.A SG MET 71.A O no hydrogen 3.365 N/A THR 76.A N GLY 72.A O no hydrogen 3.032 N/A THR 76.A OG1 GLY 72.A O no hydrogen 2.989 N/A LEU 77.A N ALA 73.A O no hydrogen 3.151 N/A LEU 78.A N ILE 74.A O no hydrogen 2.890 N/A TYR 79.A N THR 76.A O no hydrogen 3.310 N/A ALA 80.A N CYS 75.A O no hydrogen 2.877 N/A ASP 83.A N ASP 81.A OD1 no hydrogen 3.014 N/A PHE 85.A N ASP 81.A O no hydrogen 3.125 N/A SER 86.A N LEU 82.A O no hydrogen 2.799 N/A SER 87.A N ASP 83.A O no hydrogen 3.183 N/A SER 87.A OG ASP 83.A O no hydrogen 3.293 N/A SER 87.A OG VAL 84.A O.A no hydrogen 3.165 N/A SER 87.A OG VAL 84.A O.B no hydrogen 3.222 N/A THR 88.A N VAL 84.A O.A no hydrogen 3.122 N/A THR 88.A N VAL 84.A O.B no hydrogen 3.137 N/A THR 88.A OG1 VAL 84.A O.A no hydrogen 2.771 N/A THR 88.A OG1 VAL 84.A O.B no hydrogen 2.726 N/A TYR 89.A N PHE 85.A O no hydrogen 2.921 N/A MET 90.A N SER 86.A O no hydrogen 3.269 N/A GLN 91.A N SER 87.A O no hydrogen 3.169 N/A ILE 92.A N THR 88.A O no hydrogen 2.974 N/A VAL 93.A N TYR 89.A O no hydrogen 3.032 N/A LYS 94.A N MET 90.A O no hydrogen 3.323 N/A LEU 95.A N GLN 91.A O no hydrogen 2.858 N/A LEU 96.A N ILE 92.A O no hydrogen 2.878 N/A LEU 98.A N VAL 93.A O no hydrogen 2.951 N/A LEU 108.A N CYS 104.A O no hydrogen 3.008 N/A VAL 109.A N LEU 105.A O no hydrogen 2.839 N/A LYS 110.A N ALA 106.A O no hydrogen 3.396 N/A LYS 110.A NZ ALA 106.A O no hydrogen 3.360 N/A LYS 110.A NZ GLU 107.A OE2 no hydrogen 2.845 N/A THR 111.A N GLU 107.A O no hydrogen 3.160 N/A THR 111.A OG1 GLU 107.A O no hydrogen 3.309 N/A TYR 112.A N LEU 108.A O no hydrogen 2.814 N/A TYR 112.A OH THR 163.A OG1 no hydrogen 2.900 N/A CYS 113.A N.A VAL 109.A O no hydrogen 2.969 N/A CYS 113.A N.B VAL 109.A O no hydrogen 2.943 N/A CYS 113.A SG.A VAL 109.A O no hydrogen 3.207 N/A CYS 113.A SG.A THR 166.A OG1 no hydrogen 3.060 N/A CYS 113.A SG.B THR 140.A OG1 no hydrogen 3.754 N/A SER 114.A N LYS 110.A O no hydrogen 3.366 N/A SER 114.A OG LYS 110.A O no hydrogen 2.801 N/A SER 115.A N TYR 112.A O no hydrogen 3.180 N/A SER 115.A OG TYR 112.A O no hydrogen 2.602 N/A PHE 116.A N CYS 113.A O.A no hydrogen 3.249 N/A PHE 116.A N CYS 113.A O.B no hydrogen 3.302 N/A LYS 117.A N ALA 190.A O no hydrogen 2.855 N/A LEU 118.A N PHE 116.A O no hydrogen 2.946 N/A SER 122.A N VAL 125.A O no hydrogen 2.987 N/A SER 122.A OG SER 124.A OG no hydrogen 3.307 N/A SER 124.A OG SER 122.A OG no hydrogen 3.307 N/A VAL 125.A N SER 122.A O no hydrogen 2.977 N/A VAL 125.A N SER 122.A OG no hydrogen 3.104 N/A TYR 129.A N PRO 126.A O no hydrogen 2.870 N/A VAL 130.A N ALA 127.A O no hydrogen 3.194 N/A GLU 131.A N LEU 118.A O no hydrogen 2.864 N/A ASP 132.A N GLU 131.A OE2 no hydrogen 2.997 N/A LYS 135.A N ASP 132.A OD1 no hydrogen 3.048 N/A MET 136.A N ASP 132.A O no hydrogen 3.062 N/A LEU 137.A N LYS 133.A O no hydrogen 3.061 N/A SER 138.A N GLU 134.A O no hydrogen 3.084 N/A ARG 139.A N LYS 135.A O no hydrogen 3.199 N/A ARG 139.A NH1 SER 172.A OG no hydrogen 2.949 N/A THR 140.A N MET 136.A O no hydrogen 3.000 N/A THR 140.A OG1 MET 136.A O no hydrogen 2.722 N/A MET 141.A N LEU 137.A O no hydrogen 3.040 N/A GLN 142.A N SER 138.A O no hydrogen 3.289 N/A GLN 142.A NE2 SER 138.A O no hydrogen 3.269 N/A LEU 143.A N ARG 139.A O no hydrogen 3.011 N/A VAL 144.A N THR 140.A O no hydrogen 2.864 N/A GLU 145.A N MET 141.A O no hydrogen 2.981 N/A LEU 146.A N GLN 142.A O no hydrogen 3.074 N/A ALA 147.A N LEU 143.A O no hydrogen 3.071 N/A ASN 148.A N VAL 144.A O no hydrogen 2.935 N/A GLU 149.A N GLU 145.A O no hydrogen 2.909 N/A THR 150.A N LEU 146.A O no hydrogen 2.913 N/A THR 150.A OG1 LEU 146.A O no hydrogen 2.705 N/A THR 150.A OG1 ALA 147.A O no hydrogen 3.508 N/A LEU 152.A N ALA 147.A O no hydrogen 2.824 N/A ARG 156.A N VAL 153.A O no hydrogen 3.065 N/A ARG 156.A NH1 LEU 152.A O no hydrogen 2.868 N/A ARG 156.A NH1 GLU 204.A OE1 no hydrogen 2.837 N/A ARG 156.A NH2 GLU 204.A OE2 no hydrogen 2.876 N/A VAL 161.A N PRO 158.A O no hydrogen 3.181 N/A ILE 162.A N PRO 158.A O no hydrogen 3.413 N/A THR 163.A N LEU 159.A O no hydrogen 3.026 N/A THR 163.A OG1 TYR 112.A OH no hydrogen 2.900 N/A THR 163.A OG1 LEU 159.A O no hydrogen 3.097 N/A ALA 164.A N PRO 160.A O no hydrogen 3.037 N/A ALA 165.A N VAL 161.A O no hydrogen 2.981 N/A THR 166.A N ILE 162.A O no hydrogen 2.755 N/A THR 166.A OG1 ILE 162.A O no hydrogen 2.730 N/A PHE 167.A N THR 163.A O no hydrogen 3.142 N/A LEU 168.A N ALA 164.A O no hydrogen 3.081 N/A ALA 169.A N ALA 165.A O no hydrogen 2.865 N/A TRP 170.A N THR 166.A O no hydrogen 2.978 N/A TRP 170.A NE1 TYR 129.A O no hydrogen 2.829 N/A GLN 171.A N PHE 167.A O no hydrogen 2.895 N/A GLN 171.A NE2 ARG 178.A O no hydrogen 3.199 N/A GLN 171.A NE2 CYS 181.A O no hydrogen 3.176 N/A SER 172.A N LEU 168.A O no hydrogen 3.014 N/A SER 172.A OG LEU 168.A O no hydrogen 3.095 N/A SER 172.A OG ALA 169.A O no hydrogen 2.891 N/A LEU 173.A N ALA 169.A O no hydrogen 3.105 N/A LEU 173.A N TRP 170.A O no hydrogen 3.353 N/A GLN 174.A N GLN 171.A O no hydrogen 3.222 N/A GLN 174.A NE2 ASP 177.A OD2 no hydrogen 2.806 N/A ARG 178.A N GLN 174.A O no hydrogen 3.173 N/A ARG 178.A N PRO 175.A O no hydrogen 3.350 N/A ARG 178.A NE LYS 128.A O no hydrogen 2.949 N/A ARG 178.A NH1 GLU 131.A OE1 no hydrogen 2.722 N/A ARG 178.A NH1 TRP 170.A O no hydrogen 2.938 N/A ARG 178.A NH2 LYS 128.A O no hydrogen 2.922 N/A ARG 178.A NH2 GLU 131.A OE1 no hydrogen 3.149 N/A LEU 179.A N PRO 175.A O no hydrogen 3.269 N/A CYS 181.A N ARG 178.A O no hydrogen 3.355 N/A CYS 181.A SG SER 182.A O no hydrogen 3.582 N/A ARG 185.A N SER 182.A OG no hydrogen 3.185 N/A ARG 185.A NH1 TYR 129.A OH no hydrogen 2.820 N/A PHE 186.A N SER 182.A O no hydrogen 2.994 N/A CYS 187.A N LEU 183.A O no hydrogen 3.056 N/A CYS 187.A SG LEU 183.A O no hydrogen 3.527 N/A LYS 188.A N ALA 184.A O no hydrogen 3.236 N/A LEU 189.A N ARG 185.A O no hydrogen 3.105 N/A ALA 190.A N PHE 186.A O no hydrogen 3.049 N/A ASN 191.A N LYS 188.A O no hydrogen 3.353 N/A VAL 192.A N CYS 187.A O no hydrogen 2.918 N/A ALA 198.A N PRO 195.A O no hydrogen 3.084 N/A ARG 201.A N PRO 197.A O no hydrogen 3.099 N/A ARG 201.A NE GLU 204.A OE1 no hydrogen 2.847 N/A ARG 201.A NH2 GLU 204.A OE2 no hydrogen 3.148 N/A LEU 202.A N ALA 198.A O no hydrogen 3.008 N/A GLN 203.A N SER 199.A O no hydrogen 3.245 N/A GLU 204.A N SER 200.A O no hydrogen 3.069 N/A LEU 205.A N ARG 201.A O no hydrogen 2.940 N/A LEU 206.A N LEU 202.A O no hydrogen 2.931 N/A ALA 207.A N GLN 203.A O no hydrogen 3.075 N/A VAL 208.A N GLU 204.A O no hydrogen 2.955 N/A LEU 209.A N LEU 205.A O no hydrogen 3.054 N/A LEU 210.A N LEU 206.A O no hydrogen 2.990 N/A ARG 211.A N ALA 207.A O no hydrogen 3.099 N/A MET 212.A N VAL 208.A O no hydrogen 3.031 N/A ALA 213.A N LEU 209.A O no hydrogen 2.944 N/A GLU 214.A N LEU 210.A O no hydrogen 3.348 N/A GLU 214.A N ARG 211.A O no hydrogen 3.249 N/A GLN 215.A N MET 212.A O no hydrogen 2.836 N/A GLN 215.A NE2 SER 246.A OG no hydrogen 3.295 N/A LEU 216.A N ALA 213.A O no hydrogen 3.262 N/A LEU 219.A N LEU 216.A O no hydrogen 3.041 N/A ARG 220.A N LEU 216.A O no hydrogen 2.864 N/A ARG 220.A NH1 GLU 214.A O no hydrogen 3.135 N/A VAL 221.A N ALA 217.A O no hydrogen 3.292 N/A LEU 222.A N LEU 219.A O no hydrogen 3.162 N/A ARG 223.A N ARG 220.A O no hydrogen 3.478 N/A ARG 223.A NH1 ARG 220.A O no hydrogen 2.673 N/A ASP 225.A N SER 228.A OG no hydrogen 2.807 N/A LYS 226.A NZ GLN 203.A OE1 no hydrogen 3.299 N/A ARG 227.A N ASP 225.A OD1 no hydrogen 2.815 N/A ARG 227.A NH2 LEU 179.A O no hydrogen 2.918 N/A SER 228.A N ASP 225.A OD1 no hydrogen 2.792 N/A SER 228.A OG ASP 225.A O no hydrogen 3.495 N/A SER 228.A OG ASP 225.A OD1 no hydrogen 3.082 N/A VAL 229.A N ASP 225.A O no hydrogen 2.953 N/A LYS 231.A NZ SER 228.A O no hydrogen 3.024 N/A HIS 232.A N VAL 229.A O no hydrogen 3.013 N/A ILE 233.A N VAL 230.A O no hydrogen 3.215 N/A LEU 236.A N HIS 232.A O no hydrogen 2.929 N/A LEU 237.A N ILE 233.A O no hydrogen 2.865 N/A GLN 238.A N GLY 234.A O no hydrogen 3.187 N/A HIS 239.A N LEU 236.A O no hydrogen 3.393 N/A ARG 240.A N LEU 237.A O no hydrogen 3.176 N/A ARG 240.A NH2 GLU 145.A OE1 no hydrogen 2.819 N/A LEU 243.A N HIS 239.A O no hydrogen 2.891 N/A VAL 244.A N ARG 240.A O no hydrogen 2.945 N/A ARG 245.A N GLN 241.A O no hydrogen 3.229 N/A ARG 245.A NE GLN 241.A OE1 no hydrogen 3.295 N/A ARG 245.A NH2 GLN 241.A OE1 no hydrogen 3.541 N/A SER 246.A N SER 242.A O no hydrogen 3.119 N/A ALA 247.A N LEU 243.A O no hydrogen 3.052 N/A PHE 248.A N VAL 244.A O no hydrogen 3.081 N/A ARG 249.A N ARG 245.A O no hydrogen 3.054 N/A ARG 249.A NH2 SER 246.A OG no hydrogen 3.096 N/A ASP 250.A N SER 246.A O no hydrogen 3.345 N/A MET 257.A N PRO 254.A O no hydrogen 2.911 N/A ARG 263.A N PRO 261.A O no hydrogen 3.059 N/A THR 274.A N GLU 277.A OE2 no hydrogen 3.141 N/A THR 274.A OG1 GLU 277.A OE2 no hydrogen 2.989 N/A GLY 275.A N GLU 277.A OE2 no hydrogen 2.731 N/A GLU 285.A N ASP 281.A O no hydrogen 2.881 N/A GLN 286.A NE2 GLU 283.A O no hydrogen 2.852 N/A TYR 287.A N ILE 284.A O no hydrogen 2.871 N/A LEU 288.A N GLU 285.A O no hydrogen 3.011 N/A THR 290.A N GLU 293.A OE1 no hydrogen 2.994 N/A GLN 292.A NE2 ASP 296.A OD1 no hydrogen 2.818 N/A GLN 292.A NE2 ASP 296.A OD2 no hydrogen 3.482 N/A GLU 293.A N THR 290.A OG1 no hydrogen 3.107 N/A VAL 294.A N THR 290.A O no hydrogen 2.977 N/A ARG 295.A N PRO 291.A O no hydrogen 3.070 N/A ASP 296.A N GLN 292.A O no hydrogen 2.930 N/A PHE 297.A N GLU 293.A O no hydrogen 3.039 N/A GLN 298.A N VAL 294.A O no hydrogen 2.912 N/A ARG 299.A N ARG 295.A O no hydrogen 2.915 N/A ALA 300.A N ASP 296.A O no hydrogen 3.368 N/A GLN 301.A N GLN 298.A O no hydrogen 3.270 N/A ALA 302.A N ARG 299.A O no hydrogen 3.268 N/A