Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cqi_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 218.A O no hydrogen 3.300 N/A LEU 3.A N LEU 216.A O no hydrogen 3.230 N/A HIS 4.A N GLN 7.A OE1 no hydrogen 3.011 N/A HIS 4.A NE2 ASP 234.A OD2 no hydrogen 3.038 N/A TYR 6.A N GLN 48.A OE1 no hydrogen 2.974 N/A GLN 7.A N HIS 4.A O no hydrogen 3.099 N/A GLN 7.A NE2 MET 232.A O no hydrogen 3.454 N/A ALA 8.A N HIS 4.A O no hydrogen 3.110 N/A LYS 9.A N GLU 5.A O no hydrogen 3.070 N/A LYS 9.A NZ GLU 5.A OE2 no hydrogen 2.452 N/A LYS 9.A NZ GLU 99.A OE1 no hydrogen 2.877 N/A LYS 9.A NZ LEU 212.A O no hydrogen 2.952 N/A GLN 10.A N TYR 6.A O no hydrogen 3.288 N/A LEU 11.A N GLN 7.A O no hydrogen 3.095 N/A PHE 12.A N ALA 8.A O no hydrogen 2.726 N/A ALA 13.A N LYS 9.A O no hydrogen 3.171 N/A ARG 14.A N GLN 10.A O no hydrogen 3.377 N/A ARG 14.A N LEU 11.A O no hydrogen 3.147 N/A TYR 15.A N PHE 12.A O no hydrogen 2.989 N/A TYR 15.A OH GLU 190.A OE1 no hydrogen 2.921 N/A GLY 16.A N ALA 13.A O no hydrogen 3.204 N/A LEU 17.A N PHE 12.A O no hydrogen 3.056 N/A TYR 23.A N VAL 98.A O no hydrogen 3.050 N/A CYS 25.A N ILE 96.A O no hydrogen 2.704 N/A CYS 25.A SG TYR 23.A O no hydrogen 3.506 N/A THR 26.A N GLU 30.A OE1 no hydrogen 3.356 N/A THR 26.A OG1 GLU 30.A OE1 no hydrogen 3.062 N/A ARG 29.A NE GLU 33.A OE2 no hydrogen 3.257 N/A GLU 30.A N THR 27.A OG1 no hydrogen 3.292 N/A ALA 31.A N THR 27.A O no hydrogen 3.093 N/A GLU 32.A N PRO 28.A O no hydrogen 2.828 N/A GLU 33.A N ARG 29.A O no hydrogen 2.791 N/A ALA 34.A N GLU 30.A O no hydrogen 3.153 N/A ALA 34.A N ALA 31.A O no hydrogen 2.873 N/A ALA 35.A N GLU 32.A O no hydrogen 3.355 N/A LYS 37.A N ALA 34.A O no hydrogen 3.142 N/A ILE 38.A N ALA 34.A O no hydrogen 3.031 N/A GLY 39.A N ALA 35.A O no hydrogen 3.115 N/A TRP 43.A N VAL 63.A O no hydrogen 3.202 N/A VAL 44.A N GLU 99.A O no hydrogen 2.780 N/A VAL 45.A N LYS 61.A O no hydrogen 3.059 N/A LYS 46.A N LEU 97.A O no hydrogen 2.577 N/A LYS 46.A NZ GLU 5.A OE2 no hydrogen 3.019 N/A LYS 46.A NZ GLU 99.A OE2 no hydrogen 3.564 N/A CYS 47.A N GLY 59.A O no hydrogen 3.007 N/A CYS 47.A SG GLY 59.A O no hydrogen 3.758 N/A GLN 48.A N GLN 95.A O no hydrogen 3.074 N/A GLN 48.A NE2 GLU 5.A OE1 no hydrogen 3.279 N/A GLN 48.A NE2 LYS 46.A O no hydrogen 3.636 N/A GLN 48.A NE2 CYS 47.A O no hydrogen 3.247 N/A HIS 50.A N GLN 237.A OE1 no hydrogen 2.991 N/A ALA 51.A N GLN 91.A OE1 no hydrogen 2.925 N/A GLY 52.A N GLN 85.A OE1 no hydrogen 2.867 N/A ARG 54.A NH1 GLU 5.A OE1 no hydrogen 2.804 N/A ARG 54.A NH1 CYS 47.A O no hydrogen 2.994 N/A ARG 54.A NH2 GLU 5.A OE1 no hydrogen 3.185 N/A ALA 57.A N ARG 54.A O no hydrogen 3.075 N/A GLY 58.A N GLY 55.A O no hydrogen 3.504 N/A GLY 59.A N ARG 54.A O no hydrogen 3.087 N/A LYS 61.A N VAL 45.A O no hydrogen 3.361 N/A VAL 63.A N TRP 43.A O no hydrogen 2.810 N/A ASN 64.A ND2 ASN 64.A O no hydrogen 3.002 N/A SER 65.A OG ASP 68.A OD2 no hydrogen 2.939 N/A ASP 68.A N SER 65.A O no hydrogen 3.093 N/A ASP 68.A N SER 65.A OG no hydrogen 3.381 N/A ILE 69.A N SER 65.A O no hydrogen 3.338 N/A ARG 70.A N LYS 66.A O no hydrogen 3.258 N/A ARG 70.A NH1 GLU 32.A OE2 no hydrogen 3.203 N/A ALA 71.A N GLU 67.A O no hydrogen 2.871 N/A PHE 72.A N ASP 68.A O no hydrogen 3.118 N/A ALA 73.A N ILE 69.A O no hydrogen 3.124 N/A GLU 74.A N ARG 70.A O no hydrogen 3.074 N/A ASN 75.A N ALA 71.A O no hydrogen 3.109 N/A ASN 75.A N PHE 72.A O no hydrogen 3.074 N/A TRP 76.A N PHE 72.A O no hydrogen 3.168 N/A LEU 77.A N ALA 73.A O no hydrogen 2.948 N/A GLY 78.A N VAL 93.A O no hydrogen 3.011 N/A LYS 79.A N TRP 76.A O no hydrogen 2.922 N/A ARG 80.A NE GLY 90.A O no hydrogen 3.218 N/A ARG 80.A NH2 GLY 90.A O no hydrogen 3.246 N/A LEU 81.A N GLN 91.A O no hydrogen 2.859 N/A THR 83.A N THR 86.A OG1 no hydrogen 2.983 N/A THR 83.A OG1 GLY 52.A O no hydrogen 2.791 N/A GLN 85.A N THR 83.A OG1 no hydrogen 3.137 N/A THR 86.A N THR 83.A O no hydrogen 3.357 N/A THR 86.A OG1 THR 83.A O no hydrogen 2.962 N/A GLN 91.A N LEU 81.A O no hydrogen 3.059 N/A GLN 91.A NE2 GLN 237.A O no hydrogen 2.831 N/A VAL 93.A N LYS 79.A O no hydrogen 2.828 N/A GLN 95.A NE2 TYR 6.A OH no hydrogen 3.376 N/A ILE 96.A N CYS 25.A O no hydrogen 2.766 N/A LEU 97.A N LYS 46.A O no hydrogen 2.707 N/A VAL 98.A N TYR 23.A O no hydrogen 3.195 N/A GLU 99.A N VAL 44.A O no hydrogen 2.973 N/A ALA 100.A N VAL 21.A O no hydrogen 2.810 N/A ALA 105.A N ILE 203.A O no hydrogen 2.903 N/A LYS 106.A N ILE 203.A O no hydrogen 3.376 N/A LEU 108.A N LEU 201.A O no hydrogen 2.840 N/A TYR 109.A N SER 126.A O no hydrogen 3.094 N/A TYR 109.A OH GLU 197.A OE2 no hydrogen 3.081 N/A LEU 110.A N ILE 198.A O no hydrogen 3.285 N/A GLY 111.A N MET 124.A O no hydrogen 2.970 N/A ALA 112.A N ILE 196.A O no hydrogen 2.968 N/A VAL 113.A N VAL 122.A O no hydrogen 3.019 N/A ASP 115.A N ARG 120.A O no hydrogen 3.046 N/A SER 118.A N ASP 115.A OD2 no hydrogen 3.203 N/A SER 118.A OG ASP 115.A OD2 no hydrogen 2.443 N/A ARG 119.A N ASP 115.A O no hydrogen 2.777 N/A ARG 120.A NH1 ARG 119.A O no hydrogen 3.066 N/A VAL 122.A N VAL 113.A O no hydrogen 2.853 N/A PHE 123.A N VAL 147.A O no hydrogen 3.184 N/A MET 124.A N GLY 111.A O no hydrogen 2.775 N/A ALA 125.A N HIS 145.A O no hydrogen 2.871 N/A SER 126.A N TYR 109.A O no hydrogen 3.050 N/A SER 126.A OG LEU 143.A O no hydrogen 2.621 N/A GLU 128.A N SER 126.A OG no hydrogen 3.099 N/A GLY 129.A N THR 127.A O no hydrogen 3.062 N/A LYS 135.A N GLU 132.A O no hydrogen 3.026 N/A VAL 136.A N GLU 132.A O no hydrogen 3.443 N/A ALA 137.A N ILE 133.A O no hydrogen 2.817 N/A GLU 138.A N GLU 134.A O no hydrogen 3.290 N/A GLU 139.A N LYS 135.A O no hydrogen 2.912 N/A THR 140.A N VAL 136.A O no hydrogen 2.712 N/A THR 140.A OG1 VAL 136.A O no hydrogen 3.274 N/A THR 140.A OG1 THR 140.A O no hydrogen 2.296 N/A LEU 143.A N THR 140.A O no hydrogen 2.987 N/A HIS 145.A N ALA 125.A O no hydrogen 2.935 N/A VAL 147.A N PHE 123.A O no hydrogen 3.335 N/A LEU 149.A N VAL 121.A O no hydrogen 3.044 N/A LEU 152.A N ASP 150.A OD2 no hydrogen 3.353 N/A THR 153.A N ASP 150.A O no hydrogen 3.285 N/A THR 153.A OG1 ASP 150.A OD2 no hydrogen 3.399 N/A THR 153.A OG1 GLY 154.A O no hydrogen 3.266 N/A GLY 154.A N ASP 150.A O no hydrogen 2.955 N/A GLN 159.A N MET 156.A O no hydrogen 3.172 N/A GLN 159.A NE2 ALA 148.A O no hydrogen 3.396 N/A ARG 161.A N PRO 157.A O no hydrogen 2.920 N/A GLU 162.A N TYR 158.A O no hydrogen 2.885 N/A LEU 163.A N GLN 159.A O no hydrogen 3.344 N/A ALA 164.A N GLY 160.A O no hydrogen 3.036 N/A PHE 165.A N ARG 161.A O no hydrogen 2.739 N/A LYS 166.A N GLU 162.A O no hydrogen 3.116 N/A LEU 167.A N LEU 163.A O no hydrogen 2.959 N/A GLY 168.A N PHE 165.A O no hydrogen 2.625 N/A LEU 169.A N ALA 164.A O no hydrogen 3.427 N/A LYS 172.A NZ GLY 207.A O no hydrogen 2.629 N/A VAL 174.A N GLY 171.A O no hydrogen 3.311 N/A GLN 176.A N LYS 172.A O no hydrogen 3.149 N/A GLN 176.A NE2 ASP 208.A OD1 no hydrogen 3.377 N/A PHE 177.A N LEU 173.A O no hydrogen 3.315 N/A THR 178.A N VAL 174.A O no hydrogen 2.910 N/A THR 178.A OG1 VAL 174.A O no hydrogen 3.084 N/A LYS 179.A N GLN 175.A O no hydrogen 2.984 N/A ILE 180.A N GLN 176.A O no hydrogen 3.078 N/A PHE 181.A N PHE 177.A O no hydrogen 3.002 N/A MET 182.A N THR 178.A O no hydrogen 2.848 N/A GLY 183.A N LYS 179.A O no hydrogen 2.931 N/A LEU 184.A N ILE 180.A O no hydrogen 2.895 N/A ALA 185.A N PHE 181.A O no hydrogen 3.046 N/A THR 186.A N MET 182.A O no hydrogen 2.938 N/A THR 186.A OG1 MET 182.A O no hydrogen 2.764 N/A ILE 187.A N GLY 183.A O no hydrogen 2.912 N/A PHE 188.A N LEU 184.A O no hydrogen 2.793 N/A LEU 189.A N ALA 185.A O no hydrogen 3.340 N/A GLU 190.A N THR 186.A O no hydrogen 2.865 N/A ARG 191.A N ILE 187.A O no hydrogen 2.893 N/A LEU 193.A N PHE 188.A O no hydrogen 3.127 N/A ALA 194.A N GLY 217.A O no hydrogen 2.702 N/A LEU 195.A N GLY 217.A O no hydrogen 3.302 N/A ILE 196.A N ALA 112.A O no hydrogen 2.918 N/A GLU 197.A N LYS 215.A O no hydrogen 3.215 N/A ILE 198.A N LEU 110.A O no hydrogen 2.907 N/A ASN 199.A ND2 VAL 131.A O no hydrogen 3.230 N/A LEU 201.A N LEU 108.A O no hydrogen 2.848 N/A VAL 202.A N ILE 210.A O no hydrogen 3.013 N/A ILE 203.A N LYS 106.A O no hydrogen 2.969 N/A THR 204.A N ASP 208.A O no hydrogen 2.800 N/A THR 204.A OG1 ASP 208.A O no hydrogen 3.204 N/A LYS 205.A N ASP 103.A O no hydrogen 3.074 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.782 N/A GLY 207.A N THR 204.A O no hydrogen 2.799 N/A ASP 208.A N THR 204.A OG1 no hydrogen 2.797 N/A LEU 209.A N GLN 176.A OE1 no hydrogen 3.226 N/A ILE 210.A N VAL 202.A O no hydrogen 3.117 N/A CYS 211.A N PRO 18.A O no hydrogen 3.072 N/A CYS 211.A SG PRO 18.A O no hydrogen 3.738 N/A LEU 212.A N PRO 200.A O no hydrogen 3.191 N/A LYS 215.A N GLU 197.A O no hydrogen 3.195 N/A GLY 217.A N LEU 195.A O no hydrogen 3.052 N/A ALA 218.A N MET 1.A O no hydrogen 2.821 N/A ASP 219.A N ASP 192.A O no hydrogen 3.277 N/A ASN 221.A N ASP 219.A OD1 no hydrogen 3.338 N/A ALA 222.A N ASP 219.A O no hydrogen 2.749 N/A LEU 223.A N GLY 220.A O no hydrogen 3.207 N/A ARG 225.A N ALA 222.A O no hydrogen 2.722 N/A ARG 225.A NE ASP 192.A OD2 no hydrogen 2.760 N/A ARG 225.A NH2 ASP 192.A OD1 no hydrogen 3.524 N/A ARG 225.A NH2 ASP 192.A OD2 no hydrogen 3.353 N/A GLN 226.A N LEU 223.A O no hydrogen 3.065 N/A GLN 226.A NE2 GLU 190.A O no hydrogen 2.740 N/A GLN 226.A NE2 ASP 192.A OD2 no hydrogen 3.487 N/A ARG 230.A N GLN 226.A O no hydrogen 2.903 N/A GLU 231.A N PRO 227.A O no hydrogen 3.373 N/A GLU 231.A N ASP 228.A O no hydrogen 3.320 N/A MET 232.A N LEU 229.A O no hydrogen 2.792 N/A SER 236.A N ASP 234.A OD1 no hydrogen 3.328 N/A SER 236.A OG ASP 234.A OD1 no hydrogen 2.773 N/A SER 236.A OG ASP 234.A OD2 no hydrogen 3.231 N/A GLN 237.A N ASP 234.A O no hydrogen 3.167 N/A GLN 237.A NE2 PRO 92.A O no hydrogen 3.249 N/A GLN 237.A NE2 SER 236.A OG no hydrogen 3.230 N/A GLU 238.A N GLN 235.A O no hydrogen 3.309 N/A ARG 241.A N ASP 239.A OD1 no hydrogen 2.856 N/A GLN 244.A N PRO 240.A O no hydrogen 3.076 N/A ALA 245.A N ARG 241.A O no hydrogen 2.633 N/A ALA 246.A N GLU 242.A O no hydrogen 3.248 N/A GLN 247.A N ALA 243.A O no hydrogen 3.449 N/A TRP 248.A N ALA 245.A O no hydrogen 3.041 N/A GLU 249.A N ALA 246.A O no hydrogen 2.803 N/A LEU 250.A N ALA 245.A O no hydrogen 3.029 N/A ASN 251.A N ASP 288.A O no hydrogen 3.246 N/A ASN 251.A ND2 ASP 288.A OD2 no hydrogen 3.492 N/A VAL 253.A N PHE 286.A O no hydrogen 3.106 N/A LEU 255.A N ALA 284.A O no hydrogen 3.138 N/A ASN 258.A N GLU 282.A O no hydrogen 3.046 N/A ILE 259.A N GLU 282.A O no hydrogen 3.061 N/A GLY 260.A N ALA 313.A O no hydrogen 2.952 N/A CYS 261.A N ASN 285.A OD1 no hydrogen 3.032 N/A CYS 261.A SG ILE 259.A O no hydrogen 3.908 N/A MET 262.A N LEU 315.A O no hydrogen 3.067 N/A VAL 263.A N LEU 287.A O no hydrogen 3.267 N/A ASN 264.A ND2 PHE 319.A O no hydrogen 3.298 N/A GLY 265.A N ASP 288.A OD1 no hydrogen 2.923 N/A ALA 269.A N GLY 265.A O no hydrogen 2.998 N/A MET 270.A N ALA 266.A O no hydrogen 2.929 N/A GLY 271.A N GLY 267.A O no hydrogen 2.749 N/A THR 272.A N LEU 268.A O no hydrogen 2.854 N/A THR 272.A OG1 LEU 268.A O no hydrogen 2.467 N/A MET 273.A N ALA 269.A O no hydrogen 3.240 N/A ASP 274.A N MET 270.A O no hydrogen 3.090 N/A ILE 275.A N GLY 271.A O no hydrogen 3.181 N/A VAL 276.A N MET 273.A O no hydrogen 3.202 N/A LYS 277.A N MET 273.A O no hydrogen 3.172 N/A LEU 278.A N ASP 274.A O no hydrogen 2.955 N/A GLY 280.A N LYS 277.A O no hydrogen 3.202 N/A GLY 281.A N VAL 276.A O no hydrogen 2.826 N/A ALA 284.A N ILE 259.A O no hydrogen 2.819 N/A ASN 285.A ND2 CYS 261.A O no hydrogen 3.697 N/A PHE 286.A N VAL 253.A O no hydrogen 3.129 N/A ASP 288.A N ASN 251.A O no hydrogen 2.966 N/A VAL 289.A N VAL 263.A O no hydrogen 2.912 N/A GLY 290.A N GLU 249.A O no hydrogen 3.309 N/A GLY 292.A N GLY 290.A O no hydrogen 3.282 N/A THR 294.A N GLY 292.A O no hydrogen 2.628 N/A THR 294.A OG1 GLU 296.A OE1 no hydrogen 3.481 N/A ARG 297.A N THR 294.A OG1 no hydrogen 3.225 N/A ARG 297.A NE GLY 291.A O no hydrogen 3.366 N/A ARG 297.A NH1 TRP 248.A O no hydrogen 2.950 N/A VAL 298.A N THR 294.A O no hydrogen 3.103 N/A THR 299.A N LYS 295.A O no hydrogen 3.273 N/A THR 299.A OG1 LYS 295.A O no hydrogen 3.141 N/A GLU 300.A N GLU 296.A O no hydrogen 3.062 N/A ALA 301.A N ARG 297.A O no hydrogen 3.008 N/A PHE 302.A N VAL 298.A O no hydrogen 2.970 N/A LYS 303.A N THR 299.A O no hydrogen 2.846 N/A LYS 303.A NZ GLU 300.A OE2 no hydrogen 3.443 N/A ILE 304.A N GLU 300.A O no hydrogen 2.966 N/A ILE 305.A N ALA 301.A O no hydrogen 3.061 N/A LEU 306.A N PHE 302.A O no hydrogen 2.868 N/A SER 307.A N ILE 304.A O no hydrogen 3.056 N/A SER 307.A OG ILE 304.A O no hydrogen 2.691 N/A VAL 311.A N ASP 308.A O no hydrogen 3.469 N/A LYS 312.A N ASN 258.A O no hydrogen 2.838 N/A VAL 314.A N PRO 344.A O no hydrogen 2.956 N/A LEU 315.A N GLY 260.A O no hydrogen 2.660 N/A VAL 316.A N VAL 346.A O no hydrogen 3.062 N/A ASN 317.A N MET 262.A O no hydrogen 3.062 N/A ASN 317.A ND2 THR 272.A OG1 no hydrogen 3.138 N/A ILE 318.A N ARG 348.A O no hydrogen 3.135 N/A PHE 319.A N ASN 264.A OD1 no hydrogen 3.015 N/A GLY 320.A N GLU 350.A O no hydrogen 3.292 N/A ARG 324.A NE ASN 353.A OD1 no hydrogen 3.489 N/A CYS 325.A SG GLU 350.A O no hydrogen 3.088 N/A LEU 327.A N ARG 324.A O no hydrogen 2.776 N/A ASP 330.A N ASP 326.A O no hydrogen 2.989 N/A GLY 331.A N LEU 327.A O no hydrogen 2.915 N/A ILE 332.A N ILE 328.A O no hydrogen 2.727 N/A ILE 333.A N ALA 329.A O no hydrogen 3.044 N/A GLY 334.A N ASP 330.A O no hydrogen 3.155 N/A ALA 335.A N GLY 331.A O no hydrogen 2.735 N/A VAL 336.A N ILE 332.A O no hydrogen 2.868 N/A ALA 337.A N ILE 333.A O no hydrogen 3.105 N/A GLU 338.A N GLY 334.A O no hydrogen 2.974 N/A VAL 339.A N ALA 335.A O no hydrogen 2.984 N/A GLY 340.A N VAL 336.A O no hydrogen 3.017 N/A VAL 341.A N VAL 336.A O no hydrogen 3.162 N/A VAL 345.A N ASN 367.A O no hydrogen 3.158 N/A VAL 346.A N VAL 314.A O no hydrogen 2.897 N/A ARG 348.A NH1 ASN 317.A OD1 no hydrogen 3.416 N/A LEU 356.A N ASN 353.A O no hydrogen 2.839 N/A GLY 357.A N ASN 353.A O no hydrogen 2.970 N/A ALA 358.A N ALA 354.A O no hydrogen 3.424 N/A LYS 360.A N LEU 356.A O no hydrogen 2.963 N/A LYS 360.A NZ ASP 330.A OD1 no hydrogen 3.013 N/A LEU 361.A N ALA 358.A O no hydrogen 3.087 N/A ALA 362.A N ALA 358.A O no hydrogen 3.126 N/A ASP 363.A N LYS 359.A O no hydrogen 2.885 N/A SER 364.A OG LEU 361.A O no hydrogen 3.132 N/A LEU 366.A N SER 364.A OG no hydrogen 3.130 N/A ILE 369.A N VAL 345.A O no hydrogen 2.895 N/A ALA 371.A N VAL 347.A O no hydrogen 3.228 N/A LYS 372.A N ASP 376.A OD2 no hydrogen 2.850 N/A ALA 377.A N GLY 373.A O no hydrogen 3.263 N/A ALA 378.A N LEU 374.A O no hydrogen 3.115 N/A GLN 380.A N ASP 376.A O no hydrogen 2.962 N/A VAL 381.A N ALA 377.A O no hydrogen 3.372 N/A VAL 381.A N ALA 378.A O no hydrogen 3.133 N/A VAL 382.A N ALA 378.A O no hydrogen 3.103 N/A ALA 383.A N GLN 379.A O no hydrogen 2.739 N/A ALA 384.A N GLN 380.A O no hydrogen 3.190 N/A VAL 385.A N ALA 383.A O no hydrogen 2.580 N/A