Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1wq1_G.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 6.A OH no hydrogen 3.151 N/A GLU 5.A N PRO 2.A O no hydrogen 2.600 N/A TYR 6.A N GLU 3.A O no hydrogen 3.058 N/A SER 7.A N GLU 4.A O no hydrogen 3.146 N/A SER 7.A OG GLU 4.A O no hydrogen 3.019 N/A SER 7.A OG GLU 8.A OE1 no hydrogen 3.441 N/A PHE 9.A N TYR 6.A O no hydrogen 2.776 N/A PHE 9.A N GLU 8.A OE2 no hydrogen 2.974 N/A LYS 10.A N TYR 6.A O no hydrogen 2.629 N/A GLU 11.A N SER 7.A O no hydrogen 2.828 N/A LEU 12.A N PHE 9.A O no hydrogen 2.900 N/A ILE 13.A N PHE 9.A O no hydrogen 3.174 N/A LEU 18.A N GLN 15.A O no hydrogen 2.816 N/A TYR 22.A N LEU 18.A O no hydrogen 3.219 N/A ALA 23.A N HIS 19.A O no hydrogen 3.074 N/A LEU 24.A N VAL 20.A O no hydrogen 2.774 N/A SER 25.A N VAL 21.A O no hydrogen 2.892 N/A SER 25.A OG VAL 21.A O no hydrogen 2.652 N/A HIS 26.A N TYR 22.A O no hydrogen 3.031 N/A HIS 26.A N ALA 23.A O no hydrogen 2.803 N/A VAL 27.A N ALA 23.A O no hydrogen 2.983 N/A CYS 28.A N LEU 24.A O no hydrogen 2.899 N/A CYS 28.A SG LEU 24.A O no hydrogen 2.869 N/A LEU 35.A N ASP 31.A O no hydrogen 2.596 N/A ALA 36.A N ARG 32.A O no hydrogen 2.908 N/A SER 37.A N THR 33.A O no hydrogen 3.187 N/A SER 37.A OG THR 33.A O no hydrogen 3.454 N/A SER 37.A OG GLN 83.A OE1 no hydrogen 3.148 N/A ILE 38.A N LEU 34.A O no hydrogen 3.328 N/A ILE 38.A N LEU 35.A O no hydrogen 2.971 N/A LEU 39.A N LEU 35.A O no hydrogen 2.783 N/A LEU 40.A N ALA 36.A O no hydrogen 2.856 N/A ARG 41.A N SER 37.A O no hydrogen 3.463 N/A ARG 41.A NE ASP 277.A OD1 no hydrogen 3.473 N/A ARG 41.A NE ASP 277.A OD2 no hydrogen 2.892 N/A ILE 42.A N ILE 38.A O no hydrogen 3.271 N/A PHE 43.A N LEU 39.A O no hydrogen 2.946 N/A LEU 44.A N LEU 40.A O no hydrogen 2.682 N/A HIS 45.A N ARG 41.A O no hydrogen 3.168 N/A HIS 45.A N ILE 42.A O no hydrogen 3.058 N/A LYS 47.A N LEU 44.A O no hydrogen 3.438 N/A LYS 47.A NZ HIS 269.A O no hydrogen 3.515 N/A LEU 48.A N PHE 43.A O no hydrogen 2.620 N/A LEU 52.A N LEU 48.A O no hydrogen 2.959 N/A LEU 53.A N GLU 49.A O no hydrogen 2.893 N/A CYS 54.A N SER 50.A O no hydrogen 2.863 N/A THR 55.A N LEU 51.A O no hydrogen 3.155 N/A THR 55.A OG1 LEU 51.A O no hydrogen 2.557 N/A LEU 56.A N LEU 52.A O no hydrogen 2.943 N/A ASN 57.A N LEU 53.A O no hydrogen 3.069 N/A ASP 58.A N CYS 54.A O no hydrogen 3.146 N/A ARG 59.A N THR 55.A O no hydrogen 2.776 N/A GLU 60.A N LEU 56.A O no hydrogen 3.046 N/A ILE 61.A N ASN 57.A O no hydrogen 3.024 N/A SER 62.A N ASP 58.A O no hydrogen 3.038 N/A SER 62.A OG ASP 58.A O no hydrogen 3.156 N/A SER 62.A OG ARG 59.A O no hydrogen 2.692 N/A MET 63.A N ARG 59.A O no hydrogen 3.006 N/A GLU 64.A N ILE 61.A O no hydrogen 3.004 N/A GLU 66.A N GLU 64.A OE2 no hydrogen 3.061 N/A THR 69.A OG1 GLU 64.A OE1 no hydrogen 3.035 N/A THR 69.A OG1 GLU 64.A OE2 no hydrogen 3.016 N/A THR 69.A OG1 GLU 66.A O no hydrogen 2.672 N/A LEU 70.A N ALA 67.A O no hydrogen 3.005 N/A ARG 72.A N THR 69.A O no hydrogen 3.128 N/A ARG 72.A NE THR 68.A O no hydrogen 3.232 N/A ARG 72.A NH2 THR 68.A O no hydrogen 3.489 N/A SER 78.A N THR 75.A OG1 no hydrogen 3.163 N/A SER 78.A OG ALA 73.A O no hydrogen 3.436 N/A SER 78.A OG THR 75.A O no hydrogen 3.469 N/A THR 79.A N LEU 76.A O no hydrogen 2.943 N/A THR 79.A OG1 THR 75.A O no hydrogen 2.632 N/A LEU 80.A N LEU 76.A O no hydrogen 2.695 N/A MET 81.A N ALA 77.A O no hydrogen 2.939 N/A GLU 82.A N SER 78.A O no hydrogen 3.354 N/A GLN 83.A N THR 79.A O no hydrogen 3.023 N/A TYR 84.A N LEU 80.A O no hydrogen 3.091 N/A TYR 84.A OH GLU 49.A OE1 no hydrogen 3.305 N/A MET 85.A N MET 81.A O no hydrogen 2.856 N/A LYS 86.A N GLU 82.A O no hydrogen 3.235 N/A ALA 87.A N TYR 84.A O no hydrogen 2.835 N/A THR 88.A N TYR 84.A O no hydrogen 3.029 N/A THR 88.A OG1 TYR 84.A O no hydrogen 3.152 N/A ALA 89.A N MET 85.A O no hydrogen 2.860 N/A THR 90.A OG1 LYS 86.A O no hydrogen 3.001 N/A VAL 93.A N ALA 89.A O no hydrogen 3.427 N/A HIS 94.A N THR 90.A O no hydrogen 3.053 N/A HIS 95.A N GLN 91.A O no hydrogen 2.853 N/A ALA 96.A N PHE 92.A O no hydrogen 2.964 N/A LEU 97.A N VAL 93.A O no hydrogen 2.759 N/A LYS 98.A N HIS 94.A O no hydrogen 2.938 N/A LYS 98.A NZ ILE 200.A O no hydrogen 3.442 N/A SER 100.A OG ALA 96.A O no hydrogen 3.365 N/A SER 100.A OG LEU 97.A O no hydrogen 3.237 N/A ILE 101.A N LEU 97.A O no hydrogen 2.990 N/A LEU 102.A N LYS 98.A O no hydrogen 3.099 N/A LYS 103.A N ASP 99.A O no hydrogen 3.195 N/A ILE 104.A N SER 100.A O no hydrogen 3.239 N/A MET 105.A N ILE 101.A O no hydrogen 3.017 N/A GLU 106.A N LEU 102.A O no hydrogen 3.287 N/A SER 107.A N ILE 104.A O no hydrogen 3.340 N/A SER 110.A OG GLU 122.A OE2 no hydrogen 3.095 N/A CYS 111.A SG THR 212.A OG1 no hydrogen 3.715 N/A GLU 112.A N SER 110.A OG no hydrogen 3.259 N/A SER 114.A N GLU 112.A OE2 no hydrogen 3.429 N/A SER 114.A OG GLU 112.A OE2 no hydrogen 2.504 N/A GLU 119.A N GLU 122.A OE1 no hydrogen 3.316 N/A ASN 125.A N ASP 123.A OD1 no hydrogen 3.257 N/A ASN 127.A N ASP 123.A O no hydrogen 3.013 N/A LEU 128.A N VAL 124.A O no hydrogen 3.077 N/A THR 129.A N ASN 125.A O no hydrogen 3.213 N/A THR 129.A OG1 ASN 125.A O no hydrogen 2.760 N/A HIS 130.A N THR 126.A O no hydrogen 3.097 N/A LEU 131.A N ASN 127.A O no hydrogen 2.980 N/A LEU 132.A N LEU 128.A O no hydrogen 2.983 N/A ASN 133.A N THR 129.A O no hydrogen 3.039 N/A ILE 134.A N HIS 130.A O no hydrogen 3.179 N/A LEU 135.A N LEU 131.A O no hydrogen 2.841 N/A SER 136.A N LEU 132.A O no hydrogen 2.752 N/A SER 136.A OG LEU 132.A O no hydrogen 2.926 N/A GLU 137.A N ASN 133.A O no hydrogen 2.943 N/A LEU 138.A N ILE 134.A O no hydrogen 2.759 N/A VAL 139.A N LEU 135.A O no hydrogen 2.906 N/A GLU 140.A N SER 136.A O no hydrogen 3.065 N/A LYS 141.A N GLU 137.A O no hydrogen 3.304 N/A ILE 142.A N LEU 138.A O no hydrogen 2.773 N/A PHE 143.A N VAL 139.A O no hydrogen 2.586 N/A MET 144.A N GLU 140.A O no hydrogen 3.084 N/A ALA 145.A N ILE 142.A O no hydrogen 3.297 N/A SER 146.A N PHE 143.A O no hydrogen 3.274 N/A ILE 148.A N ALA 145.A O no hydrogen 2.761 N/A ARG 154.A N PRO 150.A O no hydrogen 3.253 N/A ARG 154.A NE LEU 257.A O no hydrogen 3.011 N/A ARG 154.A NH1 GLU 147.A OE2 no hydrogen 3.298 N/A ARG 154.A NH2 GLU 256.A O no hydrogen 2.664 N/A TYR 155.A N PRO 151.A O no hydrogen 2.992 N/A ILE 156.A N THR 152.A O no hydrogen 3.376 N/A TYR 157.A N LEU 153.A O no hydrogen 3.201 N/A GLY 158.A N ARG 154.A O no hydrogen 2.977 N/A CYS 159.A N TYR 155.A O no hydrogen 2.663 N/A CYS 159.A SG TYR 155.A O no hydrogen 3.931 N/A LEU 160.A N ILE 156.A O no hydrogen 2.843 N/A GLN 161.A N TYR 157.A O no hydrogen 3.047 N/A GLN 161.A N GLY 158.A O no hydrogen 2.953 N/A GLN 161.A NE2 ARG 175.A O no hydrogen 3.128 N/A GLN 161.A NE2 ASP 255.A O no hydrogen 3.624 N/A LYS 162.A N GLY 158.A O no hydrogen 2.840 N/A SER 163.A N CYS 159.A O no hydrogen 2.997 N/A SER 163.A OG ASP 58.A OD1 no hydrogen 3.447 N/A SER 163.A OG CYS 159.A O no hydrogen 3.067 N/A VAL 164.A N LEU 160.A O no hydrogen 3.247 N/A GLN 165.A N GLN 161.A O no hydrogen 3.135 N/A HIS 166.A N LYS 162.A O no hydrogen 3.087 N/A LYS 167.A N SER 163.A O no hydrogen 2.962 N/A LYS 167.A NZ GLU 64.A O no hydrogen 2.799 N/A TRP 168.A N VAL 164.A O no hydrogen 2.751 N/A ASN 171.A N TRP 168.A O no hydrogen 3.306 N/A THR 173.A N ASN 171.A OD1 no hydrogen 3.386 N/A THR 176.A N THR 173.A O no hydrogen 3.336 N/A THR 176.A OG1 THR 173.A O no hydrogen 2.755 N/A ARG 177.A N THR 173.A O no hydrogen 3.471 N/A VAL 178.A N MET 174.A O no hydrogen 2.979 N/A VAL 179.A N THR 176.A O no hydrogen 3.046 N/A SER 180.A N THR 176.A O no hydrogen 2.955 N/A SER 180.A OG ALA 224.A O no hydrogen 2.729 N/A GLY 181.A N ARG 177.A O no hydrogen 2.866 N/A PHE 182.A N VAL 179.A O no hydrogen 3.000 N/A VAL 183.A N VAL 179.A O no hydrogen 2.975 N/A PHE 184.A N SER 180.A O no hydrogen 2.919 N/A LEU 185.A N SER 180.A O no hydrogen 3.176 N/A ARG 186.A N PHE 182.A O no hydrogen 3.123 N/A ARG 186.A NE PHE 71.A O no hydrogen 3.233 N/A ARG 186.A NH2 PHE 71.A O no hydrogen 2.623 N/A LEU 187.A N PHE 184.A O no hydrogen 3.179 N/A ILE 188.A N VAL 183.A O no hydrogen 2.987 N/A ILE 188.A N PHE 184.A O no hydrogen 3.083 N/A CYS 189.A N PHE 184.A O no hydrogen 3.069 N/A CYS 189.A SG ALA 217.A O no hydrogen 3.649 N/A CYS 189.A SG GLN 221.A OE1 no hydrogen 3.330 N/A ALA 191.A N LEU 187.A O no hydrogen 3.431 N/A ILE 192.A N ILE 188.A O no hydrogen 3.028 N/A ILE 192.A N CYS 189.A O no hydrogen 2.935 N/A LEU 193.A N CYS 189.A O no hydrogen 3.002 N/A ASN 194.A N PRO 190.A O no hydrogen 2.831 N/A ARG 196.A N ASN 194.A OD1 no hydrogen 3.422 N/A MET 197.A N ASN 194.A O no hydrogen 3.198 N/A ASN 199.A ND2 ILE 201.A O no hydrogen 3.071 N/A ILE 200.A N PRO 195.A O no hydrogen 2.846 N/A ILE 201.A N PRO 195.A O no hydrogen 3.321 N/A ALA 209.A N SER 206.A OG no hydrogen 3.156 N/A ALA 210.A N SER 206.A O no hydrogen 2.808 N/A ARG 211.A N PRO 207.A O no hydrogen 3.427 N/A ARG 211.A NE GLU 112.A OE1 no hydrogen 3.097 N/A ARG 211.A NE GLU 112.A OE2 no hydrogen 3.075 N/A ARG 211.A NH2 GLU 112.A OE2 no hydrogen 2.876 N/A ARG 211.A NH2 SER 114.A OG no hydrogen 2.808 N/A THR 212.A N ILE 208.A O no hydrogen 3.024 N/A THR 212.A OG1 ILE 208.A O no hydrogen 3.061 N/A LEU 213.A N ALA 209.A O no hydrogen 3.004 N/A LEU 215.A N ARG 211.A O no hydrogen 2.987 N/A VAL 216.A N THR 212.A O no hydrogen 2.639 N/A ALA 217.A N LEU 213.A O no hydrogen 2.945 N/A LYS 218.A N ILE 214.A O no hydrogen 2.673 N/A LYS 218.A NZ GLU 233.A OE1 no hydrogen 3.069 N/A LYS 218.A NZ GLU 233.A OE2 no hydrogen 2.891 N/A SER 219.A N LEU 215.A O no hydrogen 3.311 N/A SER 219.A OG LEU 215.A O no hydrogen 2.925 N/A VAL 220.A N VAL 216.A O no hydrogen 2.851 N/A GLN 221.A N ALA 217.A O no hydrogen 2.936 N/A GLN 221.A NE2 ASN 225.A OD1 no hydrogen 3.024 N/A ASN 222.A N LYS 218.A O no hydrogen 2.987 N/A LEU 223.A N SER 219.A O no hydrogen 3.208 N/A ALA 224.A N VAL 220.A O no hydrogen 2.850 N/A ASN 225.A N GLN 221.A O no hydrogen 3.024 N/A ASN 225.A N ASN 222.A O no hydrogen 3.203 N/A LEU 226.A N ASN 222.A O no hydrogen 2.757 N/A LEU 226.A N LEU 223.A O no hydrogen 2.941 N/A VAL 227.A N ASN 222.A O no hydrogen 2.868 N/A GLU 237.A N PRO 234.A O no hydrogen 3.251 N/A VAL 239.A N MET 236.A O no hydrogen 3.086 N/A LYS 244.A N ASN 240.A O no hydrogen 2.793 N/A SER 245.A N PRO 241.A O no hydrogen 2.946 N/A SER 245.A OG PRO 241.A O no hydrogen 3.016 N/A SER 245.A OG PHE 242.A O no hydrogen 3.164 N/A ASN 246.A N ILE 243.A O no hydrogen 3.154 N/A LYS 247.A NZ LEU 226.A O no hydrogen 3.569 N/A LYS 247.A NZ GLU 228.A OE2 no hydrogen 3.288 N/A MET 250.A N ASN 246.A O no hydrogen 2.952 N/A ILE 251.A N LYS 247.A O no hydrogen 3.407 N/A MET 252.A N HIS 248.A O no hydrogen 3.195 N/A PHE 253.A N ARG 249.A O no hydrogen 3.331 N/A LEU 254.A N MET 250.A O no hydrogen 2.989 N/A ASP 255.A N ILE 251.A O no hydrogen 3.035 N/A GLU 256.A N MET 252.A O no hydrogen 2.816 N/A LEU 257.A N PHE 253.A O no hydrogen 2.729 N/A ASN 259.A N GLU 256.A O no hydrogen 2.915 N/A THR 272.A N HIS 45.A NE2 no hydrogen 3.309 N/A SER 275.A OG ASP 273.A OD2 no hydrogen 2.831 N/A ASP 277.A N LEU 274.A O no hydrogen 2.746 N/A LEU 278.A N LEU 274.A O no hydrogen 3.333 N/A ALA 279.A N SER 275.A O no hydrogen 2.680 N/A ALA 280.A N ARG 276.A O no hydrogen 3.349 N/A LEU 281.A N ASP 277.A O no hydrogen 2.923 N/A LEU 281.A N LEU 278.A O no hydrogen 3.218 N/A HIS 282.A N LEU 278.A O no hydrogen 2.907 N/A GLU 283.A N ALA 279.A O no hydrogen 2.840 N/A ILE 284.A N LEU 281.A O no hydrogen 3.067 N/A CYS 285.A N LEU 281.A O no hydrogen 3.095 N/A CYS 285.A SG LEU 281.A O no hydrogen 3.378 N/A VAL 286.A N HIS 282.A O no hydrogen 2.839 N/A ALA 287.A N GLU 283.A O no hydrogen 3.136 N/A HIS 288.A N CYS 285.A O no hydrogen 3.088 N/A HIS 288.A ND1 ILE 284.A O no hydrogen 2.972 N/A SER 289.A N VAL 286.A O no hydrogen 2.847 N/A LEU 292.A N HIS 288.A O no hydrogen 2.925 N/A ARG 293.A N SER 289.A O no hydrogen 2.824 N/A THR 294.A N ASP 290.A O no hydrogen 3.073 N/A LEU 295.A N GLU 291.A O no hydrogen 3.209 N/A SER 296.A N LEU 292.A O no hydrogen 2.885 N/A SER 296.A OG ARG 293.A O no hydrogen 2.826 N/A ASN 297.A N ARG 293.A O no hydrogen 3.131 N/A GLN 303.A N GLY 300.A O no hydrogen 2.839 N/A GLN 303.A NE2 SER 296.A O no hydrogen 3.054 N/A LEU 306.A N GLN 302.A O no hydrogen 2.693 N/A LYS 307.A N GLN 303.A O no hydrogen 2.667 N/A LYS 308.A N HIS 304.A O no hydrogen 3.133 N/A LEU 309.A N VAL 305.A O no hydrogen 2.888 N/A LEU 310.A N LEU 306.A O no hydrogen 3.420 N/A ALA 311.A N LYS 307.A O no hydrogen 3.271 N/A ILE 312.A N LYS 308.A O no hydrogen 2.864 N/A THR 313.A N LEU 309.A O no hydrogen 2.682 N/A THR 313.A OG1 LEU 309.A O no hydrogen 2.776 N/A GLU 314.A N LEU 310.A O no hydrogen 2.796 N/A LEU 315.A N ALA 311.A O no hydrogen 2.719 N/A LEU 316.A N ILE 312.A O no hydrogen 2.850 N/A GLN 317.A N THR 313.A O no hydrogen 2.774 N/A GLN 318.A N GLU 314.A O no hydrogen 2.945 N/A LYS 319.A N LEU 315.A O no hydrogen 3.266 N/A GLN 320.A N GLN 317.A O no hydrogen 3.308 N/A