Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3l2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N ALA 1.A O no hydrogen 3.345 N/A GLN 5.A N GLN 5.A OE1 no hydrogen 2.699 N/A GLN 8.A N ASP 4.A O no hydrogen 3.158 N/A GLY 9.A N LEU 6.A O no hydrogen 2.888 N/A HIS 10.A N GLN 5.A O no hydrogen 3.102 N/A TYR 15.A N ILE 12.A O no hydrogen 2.798 N/A TYR 21.A OH PRO 16.A O no hydrogen 2.621 N/A GLU 24.A N LYS 27.A O no hydrogen 3.170 N/A LYS 27.A N GLU 24.A O no hydrogen 2.858 N/A LYS 29.A N PHE 22.A O no hydrogen 3.122 N/A LYS 29.A NZ GLU 24.A OE1 no hydrogen 3.270 N/A LYS 29.A NZ ASP 25.A OD2 no hydrogen 3.213 N/A VAL 30.A N LYS 37.A O no hydrogen 2.886 N/A ARG 32.A N GLY 35.A O no hydrogen 2.748 N/A GLY 35.A N ARG 32.A O no hydrogen 2.735 N/A LYS 37.A N VAL 30.A O no hydrogen 2.937 N/A ILE 38.A N LEU 70.A O no hydrogen 2.942 N/A ILE 39.A N VAL 28.A O no hydrogen 2.896 N/A ASP 44.A N PRO 41.A O no hydrogen 2.938 N/A ARG 45.A N GLN 42.A O no hydrogen 3.219 N/A ARG 45.A NE PRO 40.A O no hydrogen 2.886 N/A ARG 45.A NH2 TYR 15.A OH no hydrogen 2.735 N/A ARG 45.A NH2 PRO 40.A O no hydrogen 2.873 N/A LYS 47.A NZ ASP 44.A OD1 no hydrogen 2.846 N/A ILE 48.A N ASP 44.A O no hydrogen 3.010 N/A VAL 49.A N ARG 45.A O no hydrogen 2.857 N/A LEU 50.A N GLN 46.A O no hydrogen 2.978 N/A GLN 51.A N LYS 47.A O no hydrogen 3.070 N/A ALA 52.A N ILE 48.A O no hydrogen 3.016 N/A HIS 53.A N VAL 49.A O no hydrogen 2.871 N/A HIS 53.A ND1 THR 58.A O no hydrogen 2.796 N/A ASN 54.A N LEU 50.A O no hydrogen 2.801 N/A LEU 55.A N ALA 52.A O no hydrogen 3.192 N/A HIS 57.A N HIS 53.A O no hydrogen 2.688 N/A THR 58.A OG1 THR 63.A OG1 no hydrogen 2.823 N/A ARG 60.A NH1 GLU 61.A OE2 no hydrogen 3.185 N/A THR 63.A N GLY 59.A O no hydrogen 2.954 N/A THR 63.A OG1 THR 58.A OG1 no hydrogen 2.823 N/A THR 63.A OG1 GLY 59.A O no hydrogen 2.475 N/A LEU 64.A N ARG 60.A O no hydrogen 2.976 N/A LEU 65.A N GLU 61.A O no hydrogen 3.010 N/A LYS 66.A N ALA 62.A O no hydrogen 3.490 N/A ILE 67.A N THR 63.A O no hydrogen 3.215 N/A ALA 68.A N LEU 64.A O no hydrogen 2.713 N/A ASN 69.A N LYS 66.A O no hydrogen 3.020 N/A LEU 70.A N ILE 67.A O no hydrogen 3.052 N/A TYR 71.A N ILE 67.A O no hydrogen 2.921 N/A TRP 72.A N ILE 38.A O no hydrogen 2.937 N/A TRP 73.A NE1 ASP 79.A OD2 no hydrogen 2.970 N/A ARG 77.A NE GLU 61.A OE2 no hydrogen 2.649 N/A ARG 77.A NH2 GLU 61.A OE1 no hydrogen 2.979 N/A ARG 77.A NH2 GLU 61.A OE2 no hydrogen 3.118 N/A VAL 80.A N MET 76.A O no hydrogen 3.083 N/A VAL 81.A N ARG 77.A O no hydrogen 2.806 N/A LYS 82.A N LYS 78.A O no hydrogen 3.177 N/A GLN 83.A N ASP 79.A O no hydrogen 3.333 N/A LEU 84.A N VAL 80.A O no hydrogen 3.120 N/A GLY 85.A N VAL 81.A O no hydrogen 3.175 N/A ARG 86.A N GLN 83.A O no hydrogen 2.796 N/A CYS 87.A SG HIS 53.A NE2 no hydrogen 3.614 N/A CYS 87.A SG HIS 57.A ND1 no hydrogen 3.396 N/A CYS 90.A SG HIS 53.A NE2 no hydrogen 3.314 N/A CYS 90.A SG HIS 57.A ND1 no hydrogen 3.317 N/A CYS 90.A SG HIS 57.A O no hydrogen 3.618 N/A LEU 91.A N CYS 87.A O no hydrogen 3.175 N/A ILE 92.A N GLN 88.A O no hydrogen 3.259 N/A ILE 92.A N GLN 89.A O no hydrogen 3.264 N/A THR 93.A N CYS 90.A O no hydrogen 3.271 N/A THR 93.A OG1 GLN 89.A O no hydrogen 2.751 N/A ASN 94.A N CYS 90.A O no hydrogen 2.980 N/A SER 96.A OG LYS 98.A O no hydrogen 3.077 N/A LYS 98.A N SER 96.A OG no hydrogen 3.268 N/A LYS 98.A NZ ASN 97.A OD1 no hydrogen 3.141 N/A ALA 99.A N ARG 304.A O no hydrogen 2.984 N/A SER 100.A OG ASP 358.A OD1 no hydrogen 2.710 N/A ARG 108.A NH1 MET 140.A O no hydrogen 2.874 N/A LYS 111.A N ASP 114.A OD2 no hydrogen 2.826 N/A PHE 113.A N ASP 138.A OD1 no hydrogen 2.826 N/A ASP 114.A N LYS 111.A O no hydrogen 3.298 N/A LYS 115.A NZ GLU 198.A OE2 no hydrogen 2.715 N/A PHE 116.A N VAL 172.A O no hydrogen 2.932 N/A PHE 117.A N VAL 137.A O no hydrogen 2.809 N/A ILE 118.A N HIS 174.A O no hydrogen 2.901 N/A ASP 119.A N VAL 135.A O no hydrogen 3.077 N/A TYR 120.A OH SER 153.A O no hydrogen 3.244 N/A TYR 120.A OH THR 157.A OG1 no hydrogen 2.584 N/A ILE 121.A N VAL 133.A O no hydrogen 2.960 N/A LEU 124.A N LEU 131.A O no hydrogen 2.791 N/A SER 127.A N TYR 130.A O no hydrogen 3.297 N/A TYR 130.A N SER 127.A O no hydrogen 2.744 N/A LEU 131.A N THR 149.A O no hydrogen 3.028 N/A TYR 132.A N THR 149.A O no hydrogen 2.727 N/A VAL 133.A N ILE 121.A O no hydrogen 3.228 N/A LEU 134.A N TYR 147.A O no hydrogen 2.642 N/A VAL 135.A N ASP 119.A O no hydrogen 2.899 N/A VAL 136.A N TRP 145.A O no hydrogen 3.051 N/A VAL 137.A N PHE 117.A O no hydrogen 2.758 N/A ASP 138.A N PHE 143.A O no hydrogen 2.740 N/A GLY 139.A N LYS 115.A O no hydrogen 2.716 N/A THR 141.A N ASP 138.A OD2 no hydrogen 2.827 N/A THR 141.A OG1 ASP 138.A OD2 no hydrogen 2.489 N/A GLY 142.A N ASP 138.A O no hydrogen 2.821 N/A PHE 143.A N THR 141.A OG1 no hydrogen 3.145 N/A THR 144.A N ASN 245.A OD1 no hydrogen 2.935 N/A THR 144.A OG1 GLY 142.A O no hydrogen 3.287 N/A TRP 145.A N VAL 136.A O no hydrogen 2.897 N/A LEU 146.A N GLN 241.A OE1 no hydrogen 2.660 N/A TYR 147.A N LEU 134.A O no hydrogen 2.900 N/A THR 149.A N TYR 132.A O no hydrogen 2.550 N/A THR 149.A OG1 ALA 151.A O no hydrogen 2.738 N/A THR 154.A OG1 ALA 180.A O no hydrogen 2.920 N/A THR 154.A OG1 SER 183.A OG no hydrogen 3.116 N/A THR 157.A N SER 153.A O no hydrogen 2.921 N/A THR 157.A OG1 TYR 120.A OH no hydrogen 2.584 N/A THR 157.A OG1 SER 153.A O no hydrogen 2.743 N/A VAL 158.A N THR 154.A O no hydrogen 2.772 N/A LYS 159.A N SER 155.A O no hydrogen 2.997 N/A SER 160.A N ALA 156.A O no hydrogen 2.951 N/A SER 160.A OG ALA 156.A O no hydrogen 2.698 N/A LEU 161.A N THR 157.A O no hydrogen 2.868 N/A ASN 162.A N VAL 158.A O no hydrogen 2.930 N/A VAL 163.A N SER 160.A O no hydrogen 3.016 N/A LEU 164.A N SER 160.A O no hydrogen 3.158 N/A THR 165.A N LEU 161.A O no hydrogen 2.940 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.747 N/A SER 166.A N VAL 163.A O no hydrogen 3.010 N/A SER 166.A OG ASN 162.A O no hydrogen 3.093 N/A SER 166.A OG VAL 163.A O no hydrogen 2.894 N/A ILE 167.A N LEU 164.A O no hydrogen 2.961 N/A LYS 171.A N PHE 113.A O no hydrogen 2.791 N/A LYS 171.A NZ ASP 114.A OD1 no hydrogen 2.913 N/A VAL 172.A N ASP 114.A O no hydrogen 2.996 N/A ILE 173.A N HIS 196.A O no hydrogen 2.950 N/A HIS 174.A N PHE 116.A O no hydrogen 2.702 N/A HIS 174.A ND1 GLU 198.A OE2 no hydrogen 2.773 N/A HIS 174.A NE2 SER 200.A OG no hydrogen 2.750 N/A SER 175.A N GLU 198.A O no hydrogen 3.101 N/A SER 175.A OG ASP 176.A O no hydrogen 3.101 N/A GLN 177.A NE2 SER 200.A O no hydrogen 2.720 N/A GLY 178.A N ASP 176.A OD2 no hydrogen 3.236 N/A PHE 181.A N GLY 178.A O no hydrogen 2.731 N/A THR 182.A N GLY 178.A O no hydrogen 3.250 N/A THR 182.A OG1 GLY 178.A O no hydrogen 3.120 N/A SER 183.A OG THR 154.A OG1 no hydrogen 3.116 N/A PHE 186.A N SER 183.A O no hydrogen 3.284 N/A PHE 186.A N SER 183.A OG no hydrogen 3.326 N/A ALA 187.A N SER 183.A O no hydrogen 3.457 N/A GLU 188.A N SER 184.A O no hydrogen 2.928 N/A TRP 189.A N THR 185.A O no hydrogen 3.037 N/A TRP 189.A NE1 ASN 162.A OD1 no hydrogen 3.108 N/A ALA 190.A N PHE 186.A O no hydrogen 2.812 N/A LYS 191.A N ALA 187.A O no hydrogen 2.742 N/A GLU 192.A N GLU 188.A O no hydrogen 2.934 N/A ARG 193.A N ALA 190.A O no hydrogen 3.273 N/A ARG 193.A NH1 TRP 189.A O no hydrogen 3.088 N/A ARG 193.A NH1 GLU 192.A OE1 no hydrogen 3.409 N/A ARG 193.A NH2 ASN 162.A OD1 no hydrogen 3.113 N/A GLY 194.A N LYS 191.A O no hydrogen 3.035 N/A ILE 195.A N ALA 190.A O no hydrogen 2.995 N/A HIS 196.A N LYS 171.A O no hydrogen 2.965 N/A GLU 198.A N ILE 173.A O no hydrogen 3.032 N/A SER 200.A N SER 175.A O no hydrogen 2.981 N/A SER 200.A OG HIS 174.A NE2 no hydrogen 2.750 N/A SER 200.A OG SER 175.A O no hydrogen 3.467 N/A SER 200.A OG SER 208.A OG no hydrogen 3.037 N/A HIS 204.A ND1 SER 207.A OG no hydrogen 2.747 N/A HIS 204.A NE2 ASP 358.A OD2 no hydrogen 2.939 N/A GLN 206.A N GLN 206.A OE1 no hydrogen 2.869 N/A SER 207.A OG HIS 204.A ND1 no hydrogen 2.747 N/A SER 207.A OG HIS 204.A O no hydrogen 3.364 N/A SER 208.A OG SER 200.A OG no hydrogen 3.037 N/A GLY 209.A N GLN 206.A O no hydrogen 2.892 N/A GLU 212.A N SER 208.A O no hydrogen 2.844 N/A ARG 213.A N GLY 209.A O no hydrogen 2.841 N/A ARG 213.A NH1 ARG 213.A O no hydrogen 3.113 N/A ARG 213.A NH1 ASP 217.A OD1 no hydrogen 3.245 N/A ARG 213.A NH1 ASP 217.A OD2 no hydrogen 2.972 N/A LYS 214.A N LYS 210.A O no hydrogen 3.384 N/A LYS 214.A NZ GLY 142.A O no hydrogen 3.129 N/A ASN 215.A N VAL 211.A O no hydrogen 3.000 N/A ASN 215.A ND2 ASP 119.A OD2 no hydrogen 3.179 N/A ASN 215.A ND2 GLU 212.A OE1 no hydrogen 3.035 N/A SER 216.A N GLU 212.A O no hydrogen 3.264 N/A ILE 218.A N LYS 214.A O no hydrogen 3.024 N/A LYS 219.A N ASN 215.A O no hydrogen 2.858 N/A ARG 220.A N SER 216.A O no hydrogen 2.811 N/A ARG 220.A NH2 ASP 217.A OD1 no hydrogen 3.381 N/A LEU 221.A N ASP 217.A O no hydrogen 2.911 N/A LEU 222.A N ILE 218.A O no hydrogen 3.113 N/A THR 223.A N LYS 219.A O no hydrogen 2.912 N/A THR 223.A OG1 LYS 219.A O no hydrogen 2.788 N/A LYS 224.A N ARG 220.A O no hydrogen 3.163 N/A LEU 225.A N LEU 221.A O no hydrogen 2.872 N/A LEU 226.A N THR 223.A O no hydrogen 3.001 N/A VAL 227.A N LYS 224.A O no hydrogen 3.420 N/A ARG 229.A N LEU 226.A O no hydrogen 3.229 N/A ARG 229.A NH1 LEU 225.A O no hydrogen 3.322 N/A TRP 233.A NE1 PRO 125.A O no hydrogen 2.756 N/A TYR 234.A N SER 127.A OG no hydrogen 3.151 N/A LEU 236.A N TRP 233.A O no hydrogen 2.661 N/A LEU 237.A N TRP 233.A O no hydrogen 3.251 N/A VAL 240.A N LEU 236.A O no hydrogen 2.850 N/A GLN 241.A N LEU 237.A O no hydrogen 2.735 N/A LEU 242.A N PRO 238.A O no hydrogen 2.912 N/A ALA 243.A N VAL 239.A O no hydrogen 2.799 N/A LEU 244.A N VAL 240.A O no hydrogen 2.878 N/A ASN 245.A N GLN 241.A O no hydrogen 3.052 N/A ASN 245.A N LEU 242.A O no hydrogen 3.227 N/A ASN 245.A ND2 THR 144.A O no hydrogen 3.088 N/A ASN 246.A N LEU 242.A O no hydrogen 3.220 N/A ASN 246.A N ALA 243.A O no hydrogen 3.216 N/A ASN 246.A ND2 LEU 242.A O no hydrogen 3.236 N/A THR 247.A N LEU 244.A O no hydrogen 3.394 N/A THR 247.A OG1 ALA 243.A O no hydrogen 2.859 N/A SER 249.A N TYR 254.A O no hydrogen 3.083 N/A LYS 253.A N SER 249.A O no hydrogen 2.762 N/A THR 255.A N GLN 258.A OE1 no hydrogen 2.870 N/A HIS 257.A N ASN 245.A O no hydrogen 2.865 N/A GLN 258.A N THR 255.A OG1 no hydrogen 2.995 N/A GLN 258.A NE2 TYR 248.A OH no hydrogen 3.338 N/A GLN 258.A NE2 ASP 264.A OD2 no hydrogen 3.001 N/A LEU 259.A N THR 255.A O no hydrogen 3.029 N/A LEU 260.A N PRO 256.A O no hydrogen 2.885 N/A LEU 260.A N HIS 257.A O no hydrogen 3.230 N/A PHE 261.A N HIS 257.A O no hydrogen 2.893 N/A GLY 262.A N GLN 258.A O no hydrogen 2.680 N/A SER 265.A OG HIS 257.A NE2 no hydrogen 3.020 N/A ASN 271.A N ASP 264.A OD2 no hydrogen 2.853 N/A ASN 271.A ND2 ASP 273.A OD2 no hydrogen 3.399 N/A GLN 272.A NE2 ALA 270.A O no hydrogen 3.555 N/A ASP 273.A N ASN 271.A OD1 no hydrogen 3.113 N/A THR 274.A OG1 GLU 282.A OE2 no hydrogen 2.635 N/A LEU 275.A N GLN 272.A O no hydrogen 3.055 N/A LEU 277.A N THR 274.A O no hydrogen 3.025 N/A THR 278.A N GLU 281.A OE1 no hydrogen 3.113 N/A ARG 279.A NH1 PHE 261.A O no hydrogen 3.186 N/A ARG 279.A NH1 GLU 282.A OE1 no hydrogen 2.489 N/A ARG 279.A NH2 PHE 261.A O no hydrogen 2.901 N/A GLU 281.A N THR 278.A OG1 no hydrogen 3.403 N/A GLU 282.A N THR 278.A O no hydrogen 2.974 N/A LEU 283.A N ARG 279.A O no hydrogen 2.744 N/A SER 284.A N GLU 280.A O no hydrogen 3.133 N/A SER 284.A OG GLU 280.A O no hydrogen 3.539 N/A SER 284.A OG GLU 281.A O no hydrogen 3.145 N/A LEU 285.A N GLU 281.A O no hydrogen 3.258 N/A LEU 286.A N GLU 282.A O no hydrogen 3.138 N/A GLN 287.A N LEU 283.A O no hydrogen 3.206 N/A GLU 288.A N SER 284.A O no hydrogen 2.885 N/A ILE 289.A N LEU 285.A O no hydrogen 2.775 N/A ARG 290.A N LEU 286.A O no hydrogen 2.839 N/A ARG 290.A NE LEU 259.A O no hydrogen 3.043 N/A ARG 290.A NH2 LEU 259.A O no hydrogen 2.894 N/A THR 291.A N GLU 288.A O no hydrogen 3.197 N/A THR 291.A OG1 GLU 288.A O no hydrogen 2.854 N/A SER 292.A N GLU 288.A O no hydrogen 3.332 N/A SER 292.A N ILE 289.A O no hydrogen 3.337 N/A SER 292.A OG GLU 288.A O no hydrogen 3.316 N/A SER 292.A OG ILE 289.A O no hydrogen 3.360 N/A HIS 295.A NE2 ARG 105.A O no hydrogen 2.904 N/A TRP 306.A N ALA 99.A O no hydrogen 2.930 N/A SER 307.A OG TRP 306.A O no hydrogen 3.276 N/A VAL 309.A N GLN 312.A OE1 no hydrogen 3.167 N/A GLY 311.A N VAL 334.A O no hydrogen 2.975 N/A GLN 312.A N VAL 309.A O no hydrogen 2.948 N/A VAL 314.A N SER 332.A O no hydrogen 2.932 N/A GLN 315.A N LYS 361.A O no hydrogen 2.779 N/A GLN 315.A NE2 LEU 91.A O no hydrogen 3.028 N/A GLN 315.A NE2 HIS 329.A O no hydrogen 3.013 N/A ARG 317.A N ASN 359.A O no hydrogen 2.971 N/A ARG 317.A NH2 ASP 358.A O no hydrogen 3.372 N/A VAL 318.A N ARG 327.A O no hydrogen 3.047 N/A ARG 325.A N ALA 322.A O no hydrogen 3.346 N/A ARG 327.A NH1 ALA 322.A O no hydrogen 3.386 N/A TRP 328.A N ILE 92.A O no hydrogen 3.251 N/A HIS 329.A N GLU 316.A O no hydrogen 2.869 N/A SER 332.A N VAL 314.A O no hydrogen 2.799 N/A SER 332.A OG VAL 314.A O no hydrogen 3.100 N/A VAL 334.A N GLN 312.A O no hydrogen 3.189 N/A LEU 335.A N VAL 344.A O no hydrogen 2.676 N/A LYS 336.A N VAL 344.A O no hydrogen 3.480 N/A LEU 338.A N THR 342.A O no hydrogen 2.968 N/A ASN 339.A N THR 342.A O no hydrogen 3.371 N/A ARG 341.A N ASN 339.A OD1 no hydrogen 2.725 N/A ARG 341.A NH1 ASP 358.A OD1 no hydrogen 3.473 N/A ARG 341.A NH2 ASP 358.A OD1 no hydrogen 2.819 N/A THR 342.A N ASN 339.A O no hydrogen 3.162 N/A THR 342.A OG1 ASN 339.A OD1 no hydrogen 2.722 N/A VAL 343.A N VAL 355.A O no hydrogen 2.988 N/A VAL 344.A N LYS 336.A O no hydrogen 2.799 N/A ILE 345.A N ARG 353.A O no hydrogen 2.931 N/A LEU 346.A N THR 333.A O no hydrogen 3.028 N/A ASP 347.A N ASN 351.A O no hydrogen 3.054 N/A ASN 351.A N ASP 347.A OD2 no hydrogen 2.706 N/A ARG 353.A N ILE 345.A O no hydrogen 3.016 N/A ARG 353.A NE GLU 316.A OE1 no hydrogen 3.504 N/A ARG 353.A NH2 GLU 316.A OE1 no hydrogen 3.398 N/A ARG 353.A NH2 GLU 316.A OE2 no hydrogen 2.551 N/A VAL 355.A N VAL 343.A O no hydrogen 2.994 N/A ILE 357.A N ARG 341.A O no hydrogen 3.247 N/A ASN 359.A N SER 356.A O no hydrogen 3.077 N/A ASN 359.A ND2 PRO 202.A O no hydrogen 2.915 N/A ASN 359.A ND2 TYR 203.A O no hydrogen 2.603 N/A LEU 360.A N ILE 357.A O no hydrogen 2.708 N/A LYS 361.A N GLN 315.A O no hydrogen 2.881 N/A LYS 361.A NZ LEU 91.A O no hydrogen 3.408 N/A LYS 361.A NZ ASN 94.A O no hydrogen 2.848 N/A THR 363.A N LEU 313.A O no hydrogen 3.055 N/A THR 363.A OG1 GLN 315.A OE1 no hydrogen 3.118 N/A