Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1uby_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 5.A N SER 1.A O no hydrogen 2.896 N/A GLU 6.A N PRO 2.A O no hydrogen 2.964 N/A ARG 7.A N VAL 3.A O no hydrogen 3.178 N/A GLU 8.A N VAL 4.A O no hydrogen 2.761 N/A ARG 9.A N VAL 5.A O no hydrogen 2.810 N/A ARG 9.A NH1 GLU 6.A OE1 no hydrogen 2.464 N/A GLU 10.A N GLU 6.A O no hydrogen 2.703 N/A GLU 11.A N ARG 7.A O no hydrogen 3.310 N/A GLU 11.A N GLU 8.A O no hydrogen 3.127 N/A PHE 12.A N GLU 8.A O no hydrogen 3.249 N/A VAL 13.A N ARG 9.A O no hydrogen 3.127 N/A GLY 14.A N GLU 10.A O no hydrogen 2.944 N/A PHE 15.A N PHE 12.A O no hydrogen 2.753 N/A PHE 16.A N VAL 13.A O no hydrogen 3.185 N/A GLN 18.A N PHE 15.A O no hydrogen 3.191 N/A VAL 20.A N PHE 16.A O no hydrogen 2.873 N/A ARG 21.A N PRO 17.A O no hydrogen 2.578 N/A ASP 22.A N GLN 18.A O no hydrogen 2.708 N/A LEU 23.A N ILE 19.A O no hydrogen 2.849 N/A THR 24.A N VAL 20.A O no hydrogen 3.058 N/A THR 24.A N ARG 21.A O no hydrogen 3.195 N/A THR 24.A OG1 VAL 20.A O no hydrogen 3.213 N/A GLU 25.A N ARG 21.A O no hydrogen 2.790 N/A GLY 27.A N THR 24.A O no hydrogen 2.805 N/A ILE 28.A N THR 24.A O no hydrogen 2.844 N/A HIS 30.A N GLY 27.A O no hydrogen 3.260 N/A GLU 32.A N HIS 30.A ND1 no hydrogen 2.870 N/A VAL 33.A N HIS 30.A ND1 no hydrogen 3.397 N/A GLY 34.A N HIS 30.A O no hydrogen 2.748 N/A VAL 37.A N VAL 33.A O no hydrogen 2.815 N/A ALA 38.A N GLY 34.A O no hydrogen 2.994 N/A ARG 39.A N ASP 35.A O no hydrogen 3.099 N/A ARG 39.A NH1 ASP 126.A OD1 no hydrogen 2.635 N/A ARG 39.A NH1 ASP 126.A OD2 no hydrogen 3.043 N/A ARG 39.A NH2 ASP 126.A OD2 no hydrogen 2.897 N/A LEU 40.A N ALA 36.A O no hydrogen 3.030 N/A LYS 41.A N VAL 37.A O no hydrogen 3.119 N/A VAL 43.A N ARG 39.A O no hydrogen 3.180 N/A LEU 44.A N LEU 40.A O no hydrogen 2.882 N/A GLN 45.A N LYS 41.A O no hydrogen 2.884 N/A TYR 46.A N GLU 42.A O no hydrogen 2.528 N/A TYR 46.A OH LEU 111.A O no hydrogen 2.727 N/A ASN 47.A N VAL 43.A O no hydrogen 2.924 N/A ALA 48.A N LEU 44.A O no hydrogen 2.905 N/A ASN 54.A N ASN 54.A OD1 no hydrogen 2.517 N/A ARG 55.A NE SER 200.A OG no hydrogen 2.856 N/A GLY 56.A N GLU 88.A OE2 no hydrogen 2.773 N/A LEU 57.A N CYS 53.A O no hydrogen 2.688 N/A THR 58.A N ASN 54.A O no hydrogen 3.237 N/A THR 58.A N ARG 55.A O no hydrogen 3.006 N/A THR 58.A OG1 ASN 54.A O no hydrogen 2.769 N/A VAL 59.A N GLY 56.A O no hydrogen 3.166 N/A ALA 61.A N LEU 57.A O no hydrogen 2.974 N/A ALA 62.A N THR 58.A O no hydrogen 2.929 N/A TYR 63.A N VAL 59.A O no hydrogen 2.813 N/A TYR 63.A OH GLN 71.A O no hydrogen 2.572 N/A ARG 64.A N VAL 60.A O no hydrogen 2.936 N/A ARG 64.A NH1 GLU 8.A OE2 no hydrogen 3.435 N/A GLU 65.A N ALA 62.A O no hydrogen 2.642 N/A LEU 66.A N TYR 63.A O no hydrogen 2.824 N/A SER 67.A N TYR 63.A O no hydrogen 2.775 N/A SER 67.A OG TYR 63.A O no hydrogen 2.526 N/A GLN 71.A N GLY 68.A O no hydrogen 2.908 N/A LYS 72.A NZ SER 67.A OG no hydrogen 2.536 N/A LYS 72.A NZ GLY 68.A O no hydrogen 3.530 N/A SER 76.A N ASP 73.A OD2 no hydrogen 3.196 N/A SER 76.A OG ASP 73.A OD1 no hydrogen 2.567 N/A SER 76.A OG ASP 73.A OD2 no hydrogen 3.353 N/A LEU 77.A N ASP 73.A O no hydrogen 2.716 N/A ARG 78.A N ALA 74.A O no hydrogen 2.846 N/A CYS 79.A N GLU 75.A O no hydrogen 3.090 N/A CYS 79.A SG GLU 75.A O no hydrogen 3.592 N/A CYS 79.A SG TYR 141.A O no hydrogen 3.427 N/A ALA 80.A N SER 76.A O no hydrogen 3.265 N/A LEU 81.A N LEU 77.A O no hydrogen 3.077 N/A ALA 82.A N ARG 78.A O no hydrogen 2.728 N/A VAL 83.A N CYS 79.A O no hydrogen 2.465 N/A GLY 84.A N ALA 80.A O no hydrogen 2.824 N/A TRP 85.A N LEU 81.A O no hydrogen 2.927 N/A TRP 85.A NE1 PHE 12.A O no hydrogen 2.912 N/A CYS 86.A N ALA 82.A O no hydrogen 3.261 N/A CYS 86.A SG ALA 82.A O no hydrogen 3.810 N/A CYS 86.A SG VAL 134.A O no hydrogen 3.455 N/A ILE 87.A N GLY 84.A O no hydrogen 3.098 N/A GLU 88.A N GLY 84.A O no hydrogen 3.385 N/A LEU 89.A N TRP 85.A O no hydrogen 2.600 N/A PHE 90.A N CYS 86.A O no hydrogen 2.906 N/A GLN 91.A N ILE 87.A O no hydrogen 2.999 N/A ALA 92.A N GLU 88.A O no hydrogen 3.147 N/A ALA 93.A N LEU 89.A O no hydrogen 2.939 N/A SER 94.A N PHE 90.A O no hydrogen 2.929 N/A SER 94.A OG PHE 90.A O no hydrogen 3.269 N/A LEU 95.A N GLN 91.A O no hydrogen 2.792 N/A VAL 96.A N ALA 92.A O no hydrogen 2.940 N/A ALA 97.A N ALA 93.A O no hydrogen 3.368 N/A ASP 98.A N SER 94.A O no hydrogen 2.871 N/A ASP 99.A N LEU 95.A O no hydrogen 2.845 N/A MET 101.A N ALA 97.A O no hydrogen 3.310 N/A MET 101.A N ASP 98.A O no hydrogen 3.247 N/A ASP 102.A N ASP 99.A O no hydrogen 3.308 N/A SER 104.A N ASP 99.A O no hydrogen 3.167 N/A ARG 107.A N GLN 110.A O no hydrogen 2.720 N/A ARG 107.A NH1 ASP 99.A OD2 no hydrogen 3.334 N/A GLN 110.A N ARG 107.A O no hydrogen 2.868 N/A GLN 110.A NE2 TYR 46.A O no hydrogen 3.132 N/A CYS 112.A N LEU 105.A O no hydrogen 2.865 N/A TRP 113.A NE1 ASP 126.A OD2 no hydrogen 2.536 N/A TYR 114.A OH SER 104.A O no hydrogen 2.679 N/A LYS 115.A N CYS 112.A O no hydrogen 3.183 N/A LYS 116.A N TRP 113.A O no hydrogen 3.184 N/A VAL 119.A N LYS 116.A O no hydrogen 3.088 N/A GLY 120.A N TYR 114.A O no hydrogen 3.116 N/A ALA 123.A N GLY 120.A O no hydrogen 3.189 N/A ILE 124.A N LEU 121.A O no hydrogen 2.664 N/A ASP 126.A N ASP 122.A O no hydrogen 3.151 N/A SER 127.A N ALA 123.A O no hydrogen 2.863 N/A SER 127.A OG ILE 124.A O no hydrogen 3.258 N/A PHE 128.A N ILE 124.A O no hydrogen 3.410 N/A LEU 129.A N ASN 125.A O no hydrogen 3.124 N/A LEU 130.A N ASP 126.A O no hydrogen 3.086 N/A LEU 130.A N SER 127.A O no hydrogen 3.158 N/A GLU 131.A N SER 127.A O no hydrogen 3.047 N/A SER 132.A N PHE 128.A O no hydrogen 2.919 N/A SER 133.A N LEU 130.A O no hydrogen 3.195 N/A SER 133.A OG LEU 129.A O no hydrogen 2.684 N/A VAL 134.A N GLU 131.A O no hydrogen 3.191 N/A ARG 136.A N SER 132.A O no hydrogen 3.241 N/A ARG 136.A N SER 133.A O no hydrogen 3.182 N/A VAL 137.A N SER 133.A O no hydrogen 3.031 N/A LEU 138.A N VAL 134.A O no hydrogen 3.115 N/A LYS 139.A N TYR 135.A O no hydrogen 2.886 N/A LYS 140.A N ARG 136.A O no hydrogen 3.051 N/A LYS 140.A NZ ASP 22.A OD1 no hydrogen 3.550 N/A TYR 141.A N VAL 137.A O no hydrogen 3.047 N/A TYR 141.A OH ASP 22.A OD1 no hydrogen 3.400 N/A TYR 141.A OH ASP 22.A OD2 no hydrogen 2.717 N/A CYS 142.A N LEU 138.A O no hydrogen 2.898 N/A TYR 148.A N ARG 145.A O no hydrogen 3.205 N/A LEU 151.A N TYR 147.A O no hydrogen 3.094 N/A LEU 152.A N TYR 148.A O no hydrogen 2.933 N/A GLU 153.A N VAL 149.A O no hydrogen 2.882 N/A LEU 154.A N HIS 150.A O no hydrogen 2.811 N/A PHE 155.A N LEU 151.A O no hydrogen 3.075 N/A PHE 155.A N LEU 152.A O no hydrogen 3.271 N/A LEU 156.A N LEU 152.A O no hydrogen 3.037 N/A GLN 157.A N GLU 153.A O no hydrogen 2.947 N/A THR 158.A N LEU 154.A O no hydrogen 3.237 N/A THR 158.A OG1 LEU 154.A O no hydrogen 2.851 N/A THR 158.A OG1 PHE 155.A O no hydrogen 2.723 N/A ALA 159.A N PHE 155.A O no hydrogen 2.952 N/A TYR 160.A N LEU 156.A O no hydrogen 3.211 N/A GLN 161.A N GLN 157.A O no hydrogen 2.863 N/A THR 162.A N THR 158.A O no hydrogen 2.953 N/A GLU 163.A N ALA 159.A O no hydrogen 3.230 N/A LEU 164.A N TYR 160.A O no hydrogen 3.143 N/A GLY 165.A N GLN 161.A O no hydrogen 3.103 N/A GLN 166.A N THR 162.A O no hydrogen 2.487 N/A GLN 166.A NE2 GLN 166.A O no hydrogen 3.301 N/A MET 167.A N GLU 163.A O no hydrogen 2.636 N/A LEU 168.A N LEU 164.A O no hydrogen 2.836 N/A ASP 169.A N GLY 165.A O no hydrogen 3.038 N/A LEU 170.A N GLN 166.A O no hydrogen 2.882 N/A ILE 171.A N MET 167.A O no hydrogen 3.079 N/A ILE 171.A N LEU 168.A O no hydrogen 3.116 N/A THR 172.A N LEU 168.A O no hydrogen 2.840 N/A THR 172.A OG1 LEU 168.A O no hydrogen 2.809 N/A ALA 173.A N ASP 169.A O no hydrogen 2.930 N/A LYS 177.A NZ ASP 179.A OD2 no hydrogen 3.374 N/A PHE 183.A N LEU 180.A O no hydrogen 3.228 N/A SER 184.A N HIS 182.A O no hydrogen 2.899 N/A ARG 187.A N SER 184.A OG no hydrogen 3.171 N/A ARG 187.A NH1 THR 172.A OG1 no hydrogen 2.542 N/A TYR 188.A N SER 184.A O no hydrogen 2.951 N/A TYR 188.A OH ASP 239.A OD2 no hydrogen 2.660 N/A LYS 189.A N GLU 185.A O no hydrogen 3.024 N/A ALA 190.A N GLU 186.A O no hydrogen 2.865 N/A ILE 191.A N ARG 187.A O no hydrogen 2.665 N/A VAL 192.A N TYR 188.A O no hydrogen 2.748 N/A LYS 193.A N LYS 189.A O no hydrogen 2.908 N/A TYR 194.A N ALA 190.A O no hydrogen 3.217 N/A LYS 195.A N ILE 191.A O no hydrogen 2.912 N/A THR 196.A OG1 VAL 192.A O no hydrogen 3.144 N/A ALA 197.A N VAL 192.A O no hydrogen 3.403 N/A PHE 198.A N LYS 193.A O no hydrogen 3.389 N/A TYR 199.A OH GLN 91.A OE1 no hydrogen 2.650 N/A SER 200.A N THR 196.A O no hydrogen 2.523 N/A SER 200.A OG THR 196.A O no hydrogen 2.357 N/A PHE 201.A N ALA 197.A O no hydrogen 2.725 N/A TYR 202.A N ALA 197.A O no hydrogen 3.453 N/A LEU 203.A N PHE 198.A O no hydrogen 2.920 N/A ALA 206.A N TYR 202.A O no hydrogen 2.786 N/A ALA 207.A N LEU 203.A O no hydrogen 2.922 N/A ALA 208.A N PRO 204.A O no hydrogen 3.265 N/A MET 209.A N VAL 205.A O no hydrogen 2.785 N/A TYR 210.A N ALA 206.A O no hydrogen 3.056 N/A MET 211.A N ALA 207.A O no hydrogen 3.103 N/A MET 211.A N ALA 208.A O no hydrogen 3.125 N/A VAL 212.A N ALA 208.A O no hydrogen 3.171 N/A VAL 212.A N MET 209.A O no hydrogen 3.032 N/A GLY 213.A N MET 209.A O no hydrogen 3.154 N/A ILE 214.A N MET 209.A O no hydrogen 2.979 N/A LYS 217.A NZ GLU 221.A OE2 no hydrogen 3.156 N/A GLU 219.A N SER 216.A O no hydrogen 2.772 N/A GLU 219.A N SER 216.A OG no hydrogen 3.076 N/A HIS 220.A N SER 216.A O no hydrogen 2.904 N/A HIS 220.A ND1 SER 216.A O no hydrogen 3.298 N/A GLU 221.A N LYS 217.A O no hydrogen 2.930 N/A ASN 222.A N GLU 218.A O no hydrogen 3.281 N/A ASN 222.A ND2 GLU 219.A OE1 no hydrogen 3.565 N/A ASN 222.A ND2 GLU 219.A OE2 no hydrogen 3.453 N/A ALA 223.A N GLU 219.A O no hydrogen 3.221 N/A LYS 224.A N HIS 220.A O no hydrogen 2.924 N/A ALA 225.A N GLU 221.A O no hydrogen 2.762 N/A ILE 226.A N ASN 222.A O no hydrogen 3.454 N/A LEU 227.A N ALA 223.A O no hydrogen 2.740 N/A LEU 228.A N LYS 224.A O no hydrogen 2.786 N/A GLU 229.A N ILE 226.A O no hydrogen 3.163 N/A MET 230.A N ILE 226.A O no hydrogen 3.266 N/A GLY 231.A N LEU 227.A O no hydrogen 3.083 N/A GLU 232.A N LEU 228.A O no hydrogen 3.079 N/A TYR 233.A N GLU 229.A O no hydrogen 2.903 N/A TYR 233.A OH GLN 237.A OE1 no hydrogen 2.744 N/A TYR 233.A OH GLU 313.A OE2 no hydrogen 2.545 N/A TYR 233.A OH TYR 344.A O no hydrogen 3.149 N/A PHE 234.A N MET 230.A O no hydrogen 2.874 N/A GLN 235.A N GLY 231.A O no hydrogen 3.182 N/A ILE 236.A N GLU 232.A O no hydrogen 3.049 N/A GLN 237.A N TYR 233.A O no hydrogen 2.942 N/A ASP 238.A N PHE 234.A O no hydrogen 3.035 N/A ASP 239.A N GLN 235.A O no hydrogen 2.872 N/A TYR 240.A N ILE 236.A O no hydrogen 2.859 N/A TYR 240.A OH GLN 347.A O no hydrogen 3.218 N/A LEU 241.A N GLN 237.A O no hydrogen 2.704 N/A ASP 242.A N ASP 238.A O no hydrogen 2.888 N/A PHE 244.A N TYR 240.A O no hydrogen 2.808 N/A LEU 249.A N ASP 246.A O no hydrogen 2.596 N/A THR 255.A OG1 ASP 242.A O no hydrogen 3.228 N/A THR 255.A OG1 ASP 242.A OD2 no hydrogen 2.886 N/A GLN 258.A NE2 ASP 259.A OD1 no hydrogen 3.042 N/A ASP 259.A N ASP 256.A OD1 no hydrogen 2.219 N/A ASN 260.A ND2 LYS 177.A O no hydrogen 3.615 N/A ASN 260.A ND2 VAL 178.A O no hydrogen 2.259 N/A LYS 261.A N ASP 259.A O no hydrogen 2.276 N/A LYS 261.A NZ ASP 242.A OD1 no hydrogen 3.055 N/A LYS 261.A NZ ASP 242.A OD2 no hydrogen 3.130 N/A TRP 264.A N ASP 239.A OD2 no hydrogen 3.333 N/A VAL 267.A N SER 263.A O no hydrogen 3.455 N/A GLN 268.A N TRP 264.A O no hydrogen 2.748 N/A CYS 269.A N LEU 265.A O no hydrogen 2.766 N/A CYS 269.A N VAL 266.A O no hydrogen 2.835 N/A LEU 270.A N VAL 266.A O no hydrogen 2.885 N/A GLN 271.A NE2 GLN 268.A OE1 no hydrogen 3.383 N/A ARG 272.A N CYS 269.A O no hydrogen 2.518 N/A ARG 272.A NH1 GLN 268.A O no hydrogen 2.485 N/A VAL 273.A N CYS 269.A O no hydrogen 2.968 N/A THR 274.A OG1 GLU 276.A OE1 no hydrogen 2.257 N/A GLU 276.A N THR 274.A OG1 no hydrogen 3.259 N/A GLN 277.A N THR 274.A OG1 no hydrogen 2.932 N/A GLN 277.A N GLU 276.A OE1 no hydrogen 3.301 N/A ARG 278.A N THR 274.A O no hydrogen 3.053 N/A LEU 280.A N GLU 276.A O no hydrogen 3.043 N/A LEU 281.A N GLN 277.A O no hydrogen 2.976 N/A GLU 282.A N ARG 278.A O no hydrogen 2.631 N/A ASP 283.A N GLN 279.A O no hydrogen 3.019 N/A ASP 283.A N LEU 280.A O no hydrogen 3.063 N/A ASN 284.A N LEU 280.A O no hydrogen 3.186 N/A TYR 285.A N LEU 281.A O no hydrogen 3.032 N/A TYR 285.A OH LYS 261.A O no hydrogen 2.620 N/A ARG 287.A NE GLY 286.A O no hydrogen 2.929 N/A VAL 293.A N GLU 289.A O no hydrogen 3.146 N/A ALA 294.A N PRO 290.A O no hydrogen 3.152 N/A LYS 295.A N GLU 291.A O no hydrogen 3.060 N/A LYS 295.A NZ GLU 298.A OE2 no hydrogen 3.057 N/A VAL 296.A N LYS 292.A O no hydrogen 2.772 N/A LYS 297.A N VAL 293.A O no hydrogen 3.194 N/A GLU 298.A N ALA 294.A O no hydrogen 2.862 N/A LEU 299.A N LYS 295.A O no hydrogen 2.830 N/A TYR 300.A N VAL 296.A O no hydrogen 3.157 N/A GLU 301.A N LYS 297.A O no hydrogen 2.998 N/A ALA 302.A N GLU 298.A O no hydrogen 2.351 N/A VAL 303.A N LEU 299.A O no hydrogen 2.505 N/A VAL 303.A N TYR 300.A O no hydrogen 3.259 N/A MET 305.A N TYR 300.A O no hydrogen 2.886 N/A PHE 309.A N MET 305.A O no hydrogen 2.866 N/A PHE 309.A N ARG 306.A O no hydrogen 3.167 N/A GLN 310.A N ARG 306.A O no hydrogen 3.415 N/A GLN 311.A N ALA 307.A O no hydrogen 2.762 N/A TYR 312.A N ALA 308.A O no hydrogen 2.954 N/A GLU 313.A N PHE 309.A O no hydrogen 2.717 N/A GLU 314.A N GLN 310.A O no hydrogen 3.213 N/A SER 315.A N GLN 311.A O no hydrogen 3.204 N/A SER 315.A OG TYR 312.A O no hydrogen 3.473 N/A SER 316.A N TYR 312.A O no hydrogen 2.863 N/A SER 316.A OG GLU 229.A OE1 no hydrogen 3.291 N/A SER 316.A OG TYR 344.A OH no hydrogen 2.925 N/A TYR 317.A N GLU 313.A O no hydrogen 3.072 N/A ARG 319.A N SER 315.A O no hydrogen 3.000 N/A LEU 320.A N SER 316.A O no hydrogen 3.247 N/A GLU 322.A N ARG 318.A O no hydrogen 3.027 N/A LEU 323.A N ARG 319.A O no hydrogen 2.896 N/A ILE 324.A N LEU 320.A O no hydrogen 2.622 N/A GLU 325.A N GLN 321.A O no hydrogen 2.856 N/A GLU 325.A N GLU 322.A O no hydrogen 3.187 N/A LYS 326.A N GLU 322.A O no hydrogen 2.938 N/A HIS 327.A N LEU 323.A O no hydrogen 3.001 N/A HIS 327.A ND1 ASN 222.A OD1 no hydrogen 3.291 N/A SER 328.A N ILE 324.A O no hydrogen 3.148 N/A SER 328.A OG LEU 331.A O no hydrogen 3.074 N/A LYS 333.A NZ SER 328.A O no hydrogen 3.106 N/A ILE 335.A N PRO 332.A O no hydrogen 2.996 N/A LEU 337.A N LYS 333.A O no hydrogen 3.222 N/A LEU 337.A N GLU 334.A O no hydrogen 3.160 N/A GLY 338.A N GLU 334.A O no hydrogen 3.087 N/A LEU 339.A N ILE 335.A O no hydrogen 3.010 N/A ALA 340.A N PHE 336.A O no hydrogen 2.997 N/A GLN 341.A N LEU 337.A O no hydrogen 2.587 N/A LYS 342.A N LEU 339.A O no hydrogen 3.018 N/A LYS 342.A NZ ASN 54.A O no hydrogen 3.463 N/A ILE 343.A N ALA 340.A O no hydrogen 2.873 N/A TYR 344.A N ALA 340.A O no hydrogen 2.843 N/A TYR 344.A OH SER 316.A OG no hydrogen 2.925 N/A LYS 348.A NZ GLN 347.A O no hydrogen 3.164 N/A