Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qny_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A OG1 GLU 6.A OE2 no hydrogen 3.133 N/A GLU 6.A N SER 3.A OG no hydrogen 3.041 N/A LEU 7.A N.A SER 3.A O no hydrogen 2.999 N/A LEU 7.A N.B SER 3.A O no hydrogen 2.993 N/A GLN 8.A N LEU 4.A O no hydrogen 2.815 N/A GLN 8.A NE2 GLN 8.A O no hydrogen 3.270 N/A GLN 8.A NE2 TYR 18.A O no hydrogen 2.983 N/A ALA 9.A N ALA 5.A O no hydrogen 3.006 N/A GLU 10.A N GLU 6.A O no hydrogen 3.171 N/A VAL 11.A N LEU 7.A O.A no hydrogen 2.911 N/A VAL 11.A N LEU 7.A O.B no hydrogen 2.911 N/A CYS 12.A N GLN 8.A O no hydrogen 2.945 N/A CYS 12.A SG GLN 8.A O no hydrogen 3.189 N/A CYS 12.A SG ASP 16.A OD1 no hydrogen 3.471 N/A ARG 13.A N ALA 9.A O no hydrogen 3.333 N/A LEU 14.A N VAL 11.A O no hydrogen 2.812 N/A ASP 15.A N VAL 11.A O no hydrogen 2.694 N/A ARG 17.A N ASP 15.A OD1 no hydrogen 3.140 N/A ARG 17.A NE ASP 37.A OD1 no hydrogen 3.336 N/A ARG 17.A NE ASP 37.A OD2 no hydrogen 3.049 N/A ARG 17.A NH2 ASP 37.A OD1 no hydrogen 2.553 N/A LEU 19.A N ARG 36.A O no hydrogen 2.833 N/A LEU 20.A N GLN 8.A OE1 no hydrogen 2.877 N/A GLU 21.A N ARG 34.A O no hydrogen 2.936 N/A ARG 22.A N ARG 34.A O no hydrogen 3.475 N/A ILE 24.A N VAL 32.A O no hydrogen 2.799 N/A GLY 25.A N VAL 32.A O no hydrogen 3.045 N/A GLY 27.A N.A GLY 30.A O no hydrogen 2.849 N/A GLY 27.A N.B GLY 30.A O no hydrogen 2.897 N/A VAL 32.A N GLY 25.A O no hydrogen 2.596 N/A ILE 33.A N MET 47.A O no hydrogen 2.678 N/A ARG 34.A N ARG 22.A O no hydrogen 2.724 N/A ALA 35.A N VAL 45.A O no hydrogen 2.714 N/A ARG 36.A N LEU 19.A O no hydrogen 2.791 N/A ASP 37.A N ARG 43.A O no hydrogen 2.991 N/A THR 38.A N ARG 17.A O no hydrogen 2.951 N/A THR 38.A OG1 ARG 17.A O no hydrogen 2.627 N/A LYS 39.A N ASP 37.A OD2 no hydrogen 3.439 N/A SER 40.A N ASP 37.A O no hydrogen 3.128 N/A ARG 43.A N SER 40.A O no hydrogen 3.258 N/A VAL 45.A N ALA 35.A O no hydrogen 2.582 N/A ALA 46.A N MET 101.A O no hydrogen 2.833 N/A MET 47.A N ILE 33.A O no hydrogen 2.784 N/A LYS 48.A N ILE 99.A O no hydrogen 2.574 N/A LYS 48.A NZ GLU 67.A OE2 no hydrogen 2.729 N/A ARG 49.A N VAL 31.A O no hydrogen 2.908 N/A ARG 49.A NE GLU 10.A OE1 no hydrogen 2.818 N/A ARG 49.A NH2 GLU 10.A OE1 no hydrogen 3.410 N/A ARG 49.A NH2 GLU 10.A OE2 no hydrogen 2.863 N/A VAL 50.A N PHE 97.A O no hydrogen 2.853 N/A ASN 51.A N TYR 29.A O no hydrogen 3.226 N/A ILE 54.A N ASN 51.A O no hydrogen 3.290 N/A PHE 55.A N LYS 52.A O no hydrogen 3.055 N/A ALA 61.A N GLU 57.A O no hydrogen 3.213 N/A LYS 62.A N VAL 58.A O no hydrogen 2.965 N/A ARG 63.A N ILE 59.A O no hydrogen 3.164 N/A ILE 64.A N LEU 60.A O no hydrogen 3.245 N/A LEU 65.A N ALA 61.A O no hydrogen 3.154 N/A ARG 66.A N LYS 62.A O no hydrogen 3.204 N/A ARG 66.A NH1 ALA 168.A O no hydrogen 2.873 N/A GLU 67.A N ARG 63.A O no hydrogen 3.085 N/A ILE 68.A N ILE 64.A O no hydrogen 3.114 N/A LYS 69.A N LEU 65.A O no hydrogen 3.095 N/A LEU 70.A N ARG 66.A O no hydrogen 2.881 N/A LEU 71.A N GLU 67.A O no hydrogen 2.987 N/A ALA 72.A N ILE 68.A O no hydrogen 3.025 N/A HIS 73.A N LYS 69.A O no hydrogen 2.866 N/A PHE 74.A N LEU 70.A O no hydrogen 3.137 N/A ASN 78.A N ASP 76.A OD2 no hydrogen 2.963 N/A ASN 78.A ND2 GLN 129.A OE1 no hydrogen 3.258 N/A ASN 78.A ND2 LEU 160.A O no hydrogen 2.903 N/A ILE 79.A N ASP 76.A O no hydrogen 3.428 N/A ILE 80.A N ILE 162.A O no hydrogen 3.169 N/A ARG 83.A N VAL 100.A O no hydrogen 2.714 N/A ASN 84.A N VAL 100.A O no hydrogen 3.152 N/A ASN 84.A ND2 TYR 18.A OH no hydrogen 3.097 N/A ILE 85.A N ASN 84.A OD1 no hydrogen 2.658 N/A LEU 86.A N.A TYR 98.A O no hydrogen 2.979 N/A LEU 86.A N.B TYR 98.A O no hydrogen 2.978 N/A THR 87.A OG1 SER 330.A OG no hydrogen 3.306 N/A GLU 92.A N ASP 90.A OD1 no hydrogen 3.020 N/A ASN 93.A N ASP 90.A O no hydrogen 2.831 N/A PHE 94.A N PRO 91.A O no hydrogen 3.427 N/A HIS 96.A ND1 ASP 95.A OD2 no hydrogen 2.921 N/A PHE 97.A N VAL 50.A O no hydrogen 3.320 N/A TYR 98.A N LEU 86.A O.A no hydrogen 2.922 N/A TYR 98.A N LEU 86.A O.B no hydrogen 2.923 N/A TYR 98.A OH GLU 10.A OE1 no hydrogen 2.706 N/A ILE 99.A N LYS 48.A O no hydrogen 2.706 N/A VAL 100.A N ASN 84.A O no hydrogen 2.925 N/A MET 101.A N ALA 46.A O no hydrogen 2.725 N/A ASP 102.A N GLY 81.A O no hydrogen 3.437 N/A GLU 105.A N ASN 155.A OD1 no hydrogen 2.821 N/A THR 106.A N VAL 154.A O no hydrogen 3.099 N/A THR 106.A OG1 ASP 107.A O no hydrogen 3.335 N/A THR 106.A OG1 GLN 110.A OE1 no hydrogen 3.332 N/A ASP 107.A N THR 106.A OG1 no hydrogen 2.520 N/A LEU 108.A N PRO 149.A O no hydrogen 3.230 N/A LEU 108.A N ILE 152.A O no hydrogen 3.017 N/A VAL 111.A N ASP 107.A O no hydrogen 3.102 N/A LEU 112.A N LEU 108.A O no hydrogen 2.870 N/A ARG 113.A N LYS 109.A O no hydrogen 2.946 N/A SER 114.A N GLN 110.A O no hydrogen 3.085 N/A SER 114.A OG VAL 111.A O no hydrogen 2.589 N/A GLY 115.A N LEU 112.A O no hydrogen 3.028 N/A THR 119.A N HIS 122.A ND1 no hydrogen 3.118 N/A THR 119.A OG1 HIS 122.A ND1 no hydrogen 3.005 N/A HIS 122.A N THR 119.A OG1 no hydrogen 3.204 N/A ILE 123.A N THR 119.A O no hydrogen 3.127 N/A GLN 124.A N GLU 120.A O no hydrogen 2.844 N/A PHE 125.A N ALA 121.A O no hydrogen 3.303 N/A PHE 126.A N HIS 122.A O no hydrogen 3.073 N/A ILE 127.A N ILE 123.A O no hydrogen 2.795 N/A TYR 128.A N GLN 124.A O no hydrogen 3.025 N/A TYR 128.A OH HIS 308.A ND1 no hydrogen 3.300 N/A GLN 129.A N PHE 125.A O no hydrogen 3.227 N/A GLN 129.A NE2 PHE 125.A O no hydrogen 2.864 N/A GLN 129.A NE2 CYS 158.A O no hydrogen 2.710 N/A ALA 130.A N PHE 126.A O no hydrogen 3.081 N/A LEU 131.A N ILE 127.A O no hydrogen 2.916 N/A ARG 132.A N TYR 128.A O no hydrogen 2.813 N/A ARG 132.A NH1 ASP 76.A OD2 no hydrogen 2.485 N/A ARG 132.A NH2 ASP 76.A OD1 no hydrogen 2.542 N/A ARG 132.A NH2 ASP 76.A OD2 no hydrogen 3.267 N/A ALA 133.A N GLN 129.A O no hydrogen 3.061 N/A LEU 134.A N ALA 130.A O no hydrogen 3.008 N/A HIS 135.A N LEU 131.A O no hydrogen 2.865 N/A ILE 136.A N ARG 132.A O no hydrogen 3.372 N/A ILE 137.A N ALA 133.A O no hydrogen 3.066 N/A HIS 138.A N LEU 134.A O no hydrogen 2.802 N/A HIS 138.A NE2 ASP 201.A OD2 no hydrogen 2.771 N/A SER 139.A N HIS 135.A O no hydrogen 2.970 N/A SER 139.A OG HIS 135.A O no hydrogen 3.160 N/A SER 139.A OG ILE 136.A O no hydrogen 2.582 N/A ALA 140.A N ILE 136.A O no hydrogen 3.216 N/A ALA 140.A N ILE 137.A O no hydrogen 3.200 N/A GLY 141.A N HIS 138.A O no hydrogen 3.009 N/A VAL 142.A N ILE 137.A O no hydrogen 3.139 N/A ILE 143.A N LYS 169.A O no hydrogen 2.755 N/A HIS 144.A N ASP 201.A OD2 no hydrogen 2.921 N/A HIS 144.A NE2 CYS 163.A O no hydrogen 2.880 N/A ARG 145.A N ASP 201.A OD1 no hydrogen 2.983 N/A ARG 145.A NE ARG 145.A O no hydrogen 3.248 N/A ASP 146.A N HIS 144.A ND1 no hydrogen 3.166 N/A ASN 151.A N THR 148.A O no hydrogen 2.856 N/A ASN 151.A ND2 ASP 146.A O no hydrogen 2.682 N/A ASN 151.A ND2 ASP 146.A OD2 no hydrogen 2.878 N/A ILE 152.A N PRO 149.A O no hydrogen 3.144 N/A LEU 153.A N LYS 161.A O no hydrogen 2.785 N/A VAL 154.A N THR 106.A O no hydrogen 2.830 N/A ASN 155.A N ASP 159.A O no hydrogen 3.119 N/A THR 156.A N GLU 105.A OE1 no hydrogen 2.875 N/A THR 156.A OG1 GLU 105.A OE1 no hydrogen 2.399 N/A CYS 158.A N ASN 155.A O no hydrogen 3.030 N/A LEU 160.A N GLN 129.A OE1 no hydrogen 2.972 N/A LYS 161.A N LEU 153.A O no hydrogen 2.742 N/A ILE 162.A N ASN 78.A O no hydrogen 3.022 N/A CYS 163.A N ASN 151.A O no hydrogen 3.036 N/A GLY 166.A N ASP 164.A OD1 no hydrogen 3.244 N/A LYS 169.A N ILE 143.A O no hydrogen 2.741 N/A GLU 171.A N GLY 141.A O no hydrogen 2.959 N/A TYR 178.A N THR 176.A OG1 no hydrogen 3.098 N/A ARG 182.A NH2 ASP 177.A O no hydrogen 2.806 N/A TRP 183.A NE1 GLY 221.A O no hydrogen 2.900 N/A TYR 184.A OH GLU 211.A OE2 no hydrogen 2.622 N/A ARG 185.A N ARG 182.A O no hydrogen 3.240 N/A ARG 185.A NH1 THR 176.A O no hydrogen 2.928 N/A ARG 185.A NH2 THR 176.A O no hydrogen 3.015 N/A GLU 188.A N GLU 188.A OE2 no hydrogen 2.658 N/A LEU 189.A N ALA 186.A O no hydrogen 2.971 N/A VAL 190.A N ALA 186.A O no hydrogen 3.053 N/A MET 191.A N PRO 187.A O no hydrogen 2.823 N/A GLU 192.A N LEU 189.A O no hydrogen 2.961 N/A ASP 193.A N GLU 188.A O no hydrogen 2.933 N/A GLN 199.A N SER 197.A OG no hydrogen 3.247 N/A GLN 199.A NE2 PRO 289.A O no hydrogen 3.234 N/A GLN 199.A NE2 ILE 293.A O no hydrogen 2.934 N/A ASP 201.A N ALA 198.A O no hydrogen 3.205 N/A TRP 203.A N GLN 199.A O no hydrogen 3.173 N/A GLY 204.A N ILE 200.A O no hydrogen 3.424 N/A ILE 205.A N ASP 201.A O no hydrogen 3.207 N/A GLY 206.A N VAL 202.A O no hydrogen 3.012 N/A CYS 207.A N TRP 203.A O no hydrogen 3.015 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.273 N/A ILE 208.A N GLY 204.A O no hydrogen 3.040 N/A LEU 209.A N ILE 205.A O no hydrogen 2.659 N/A GLY 210.A N GLY 206.A O no hydrogen 2.827 N/A GLU 211.A N CYS 207.A O no hydrogen 3.212 N/A GLU 211.A N ILE 208.A O no hydrogen 3.172 N/A LEU 212.A N ILE 208.A O no hydrogen 2.905 N/A LEU 213.A N LEU 209.A O no hydrogen 3.038 N/A GLY 214.A N GLU 211.A O no hydrogen 3.054 N/A SER 215.A N GLU 211.A O no hydrogen 3.193 N/A SER 215.A OG ARG 216.A O no hydrogen 2.793 N/A GLN 220.A NE2 PRO 217.A O no hydrogen 3.136 N/A GLY 221.A N GLN 227.A OE1 no hydrogen 3.032 N/A LYS 222.A N ASN 226.A OD1 no hydrogen 2.891 N/A ARG 224.A NH1 MET 175.A O no hydrogen 3.144 N/A ASN 226.A N ASP 223.A OD1 no hydrogen 3.007 N/A GLN 227.A N ASP 223.A O no hydrogen 2.766 N/A GLN 227.A NE2 PHE 219.A O no hydrogen 3.211 N/A LEU 228.A N ARG 224.A O no hydrogen 3.150 N/A ASP 229.A N VAL 225.A O no hydrogen 3.025 N/A LYS 230.A N ASN 226.A O no hydrogen 2.978 N/A LYS 230.A NZ GLN 220.A O no hydrogen 2.664 N/A ILE 231.A N GLN 227.A O no hydrogen 3.056 N/A VAL 232.A N LEU 228.A O no hydrogen 2.950 N/A ASP 233.A N ASP 229.A O no hydrogen 2.859 N/A VAL 234.A N ILE 231.A O no hydrogen 3.199 N/A ILE 235.A N ILE 231.A O no hydrogen 3.015 N/A GLY 236.A N VAL 232.A O no hydrogen 2.837 N/A THR 237.A N ARG 261.A O no hydrogen 2.563 N/A THR 237.A OG1 ARG 261.A O no hydrogen 3.322 N/A SER 239.A OG ASP 242.A OD2 no hydrogen 2.805 N/A ASP 242.A N SER 239.A O no hydrogen 3.051 N/A ASP 242.A N SER 239.A OG no hydrogen 3.371 N/A ILE 243.A N SER 239.A O no hydrogen 2.946 N/A ASN 244.A N GLU 240.A O no hydrogen 3.065 N/A SER 245.A N ASP 242.A O no hydrogen 3.033 N/A VAL 246.A N ILE 243.A O no hydrogen 3.383 N/A SER 248.A N MET 191.A O no hydrogen 2.735 N/A SER 248.A OG GLU 192.A OE1 no hydrogen 2.829 N/A ALA 251.A N SER 248.A OG no hydrogen 3.408 N/A GLN 252.A N SER 248.A O no hydrogen 3.060 N/A GLN 252.A NE2 ASN 244.A O no hydrogen 3.427 N/A GLN 252.A NE2 VAL 246.A O no hydrogen 3.055 N/A LYS 253.A N SER 249.A O no hydrogen 3.104 N/A TYR 254.A N ALA 250.A O no hydrogen 3.021 N/A TYR 254.A OH ASP 229.A OD1 no hydrogen 2.957 N/A TYR 254.A OH ASP 229.A OD2 no hydrogen 2.971 N/A LEU 255.A N ALA 251.A O no hydrogen 3.146 N/A LYS 256.A N GLN 252.A O no hydrogen 3.161 N/A LYS 256.A NZ ASN 244.A OD1 no hydrogen 2.749 N/A LYS 257.A N.A LYS 253.A O no hydrogen 3.303 N/A LYS 257.A N.B LYS 253.A O no hydrogen 3.316 N/A ARG 261.A N THR 237.A OG1 no hydrogen 2.648 N/A ALA 264.A N VAL 234.A O no hydrogen 3.242 N/A ARG 267.A N ASP 265.A OD1 no hydrogen 3.051 N/A GLN 268.A N ASP 265.A O no hydrogen 3.227 N/A ARG 269.A N ASP 265.A O no hydrogen 3.045 N/A TYR 270.A N TRP 266.A O no hydrogen 2.845 N/A TYR 270.A OH GLY 210.A O no hydrogen 2.628 N/A SER 274.A N GLU 120.A OE2 no hydrogen 3.251 N/A SER 274.A OG GLU 120.A OE1 no hydrogen 2.934 N/A ALA 277.A N SER 274.A OG no hydrogen 3.223 N/A LEU 278.A N SER 274.A O no hydrogen 3.137 N/A ASP 279.A N PRO 275.A O no hydrogen 3.115 N/A LEU 280.A N GLU 276.A O no hydrogen 3.207 N/A LEU 281.A N ALA 277.A O no hydrogen 3.032 N/A ARG 282.A N LEU 278.A O no hydrogen 3.060 N/A ARG 282.A NE ASP 279.A OD1 no hydrogen 3.187 N/A ARG 282.A NH2 ASP 279.A OD1 no hydrogen 2.970 N/A HIS 283.A N ASP 279.A O no hydrogen 2.894 N/A HIS 283.A NE2 ARG 291.A O no hydrogen 3.112 N/A MET 284.A N LEU 280.A O no hydrogen 2.919 N/A LEU 285.A N LEU 281.A O no hydrogen 3.169 N/A LEU 285.A N ARG 282.A O no hydrogen 3.315 N/A ASN 288.A ND2 ASP 242.A OD1 no hydrogen 2.945 N/A ASN 288.A ND2 SER 245.A OG no hydrogen 3.280 N/A LYS 290.A N ASN 288.A OD1 no hydrogen 3.087 N/A ARG 291.A N ASN 288.A O no hydrogen 2.962 N/A ARG 292.A NE VAL 286.A O no hydrogen 2.942 N/A ARG 292.A NH1 GLU 188.A OE1 no hydrogen 2.844 N/A ARG 292.A NH1 GLN 199.A O no hydrogen 2.854 N/A ARG 292.A NH2 GLU 188.A OE1 no hydrogen 3.539 N/A ARG 292.A NH2 GLU 188.A OE2 no hydrogen 2.901 N/A ARG 292.A NH2 VAL 286.A O no hydrogen 3.020 N/A ILE 293.A N HIS 283.A O no hydrogen 3.202 N/A THR 294.A N GLN 297.A OE1 no hydrogen 3.231 N/A GLN 297.A N THR 294.A OG1 no hydrogen 3.290 N/A ALA 298.A N THR 294.A O no hydrogen 2.862 N/A MET 299.A N VAL 295.A O no hydrogen 2.958 N/A ARG 300.A N LEU 296.A O no hydrogen 3.184 N/A ARG 300.A N GLN 297.A O no hydrogen 3.154 N/A HIS 301.A N ALA 298.A O no hydrogen 3.272 N/A HIS 301.A NE2 ASP 279.A OD2 no hydrogen 2.622 N/A PHE 303.A N HIS 301.A ND1 no hydrogen 3.054 N/A LEU 304.A N HIS 301.A O no hydrogen 2.934 N/A LEU 307.A N LEU 304.A O no hydrogen 3.061 N/A HIS 308.A N LEU 304.A O no hydrogen 3.085 N/A ASP 309.A N TYR 128.A OH no hydrogen 3.269 N/A PHE 314.A N ALA 140.A O no hydrogen 2.936 N/A VAL 322.A N THR 318.A O no hydrogen 3.169 N/A LYS 323.A N ILE 319.A O no hydrogen 2.973 N/A LYS 323.A NZ PHE 94.A O no hydrogen 2.770 N/A ARG 324.A N VAL 320.A O no hydrogen 3.059 N/A ALA 325.A N ASP 321.A O no hydrogen 3.249 N/A ILE 326.A N VAL 322.A O no hydrogen 2.932 N/A TYR 327.A N LYS 323.A O no hydrogen 3.188 N/A GLU 328.A N ARG 324.A O no hydrogen 3.151 N/A GLU 329.A N ALA 325.A O no hydrogen 3.228 N/A SER 330.A N ILE 326.A O no hydrogen 3.105 N/A SER 330.A N TYR 327.A O no hydrogen 2.908 N/A SER 330.A OG ILE 85.A O no hydrogen 3.170 N/A SER 330.A OG THR 87.A OG1 no hydrogen 3.306 N/A VAL 331.A N TYR 327.A O no hydrogen 2.922 N/A PHE 333.A N SER 330.A O no hydrogen 3.174 N/A