Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xyg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ HIS 25.A O no hydrogen 2.643 N/A ILE 3.A N HIS 27.A O no hydrogen 2.958 N/A ARG 4.A N ASP 70.A OD2 no hydrogen 2.708 N/A ILE 5.A N GLN 29.A O no hydrogen 2.660 N/A GLY 6.A N ALA 71.A O no hydrogen 2.943 N/A LEU 7.A N LEU 32.A O no hydrogen 2.755 N/A LEU 8.A N PHE 73.A O no hydrogen 2.910 N/A ALA 10.A N THR 34.A O no hydrogen 2.513 N/A ALA 16.A N GLY 12.A O no hydrogen 2.964 N/A GLU 17.A N TYR 13.A O no hydrogen 2.899 N/A ILE 18.A N THR 14.A O no hydrogen 3.009 N/A VAL 19.A N GLY 15.A O no hydrogen 3.043 N/A ARG 20.A N ALA 16.A O no hydrogen 2.826 N/A ARG 20.A NE GLU 17.A OE1 no hydrogen 2.744 N/A ARG 20.A NH2 GLU 17.A OE1 no hydrogen 3.305 N/A ARG 20.A NH2 GLU 17.A OE2 no hydrogen 2.623 N/A LEU 21.A N GLU 17.A O no hydrogen 2.833 N/A LEU 22.A N ILE 18.A O no hydrogen 2.924 N/A ALA 23.A N VAL 19.A O no hydrogen 3.131 N/A ALA 23.A N ARG 20.A O no hydrogen 3.302 N/A HIS 25.A N LEU 22.A O no hydrogen 2.949 N/A HIS 25.A NE2 ASN 327.A OD1 no hydrogen 2.965 N/A HIS 27.A N HIS 25.A ND1 no hydrogen 2.983 N/A PHE 28.A N HIS 25.A ND1 no hydrogen 2.897 N/A GLN 29.A N ILE 3.A O no hydrogen 2.871 N/A THR 31.A N ILE 5.A O no hydrogen 2.931 N/A LEU 32.A N ILE 5.A O no hydrogen 3.318 N/A THR 34.A N LEU 7.A O no hydrogen 2.806 N/A ALA 35.A N VAL 59.A O no hydrogen 3.038 N/A ALA 39.A N ASP 36.A O no hydrogen 3.332 N/A GLY 40.A N LEU 58.A O no hydrogen 2.668 N/A GLN 41.A N LYS 38.A O no hydrogen 3.136 N/A SER 45.A N SER 42.A O no hydrogen 2.846 N/A PHE 47.A N MET 43.A O no hydrogen 2.596 N/A LEU 50.A N PHE 47.A O no hydrogen 2.906 N/A ARG 51.A N PRO 48.A O no hydrogen 3.211 N/A GLN 53.A N LEU 50.A O no hydrogen 3.047 N/A GLN 53.A NE2 VAL 19.A O no hydrogen 3.575 N/A LYS 54.A NZ ALA 52.A O no hydrogen 3.281 N/A LEU 58.A N GLN 41.A O no hydrogen 3.267 N/A VAL 59.A N MET 33.A O no hydrogen 3.069 N/A LYS 62.A N SER 60.A OG no hydrogen 3.403 N/A ASP 63.A N SER 60.A O no hydrogen 2.811 N/A ALA 64.A N VAL 61.A O no hydrogen 3.328 N/A SER 67.A N ASP 65.A OD1 no hydrogen 3.014 N/A SER 67.A OG ASP 65.A OD1 no hydrogen 2.534 N/A THR 68.A N ASP 65.A O no hydrogen 3.293 N/A THR 68.A OG1 ASP 65.A O no hydrogen 2.971 N/A VAL 69.A N PHE 66.A O no hydrogen 3.508 N/A ASP 70.A N ARG 4.A O no hydrogen 2.838 N/A ALA 71.A N ARG 4.A O no hydrogen 3.456 N/A VAL 72.A N LYS 93.A O no hydrogen 2.943 N/A PHE 73.A N GLY 6.A O no hydrogen 2.887 N/A CYS 74.A N VAL 95.A O no hydrogen 2.961 N/A CYS 74.A SG THR 81.A OG1 no hydrogen 3.751 N/A CYS 74.A SG ASP 96.A OD1 no hydrogen 3.481 N/A CYS 75.A N LEU 8.A O no hydrogen 2.768 N/A CYS 75.A SG THR 14.A OG1 no hydrogen 3.449 N/A GLY 79.A N ASP 100.A OD2 no hydrogen 2.614 N/A THR 81.A OG1 PRO 77.A O no hydrogen 3.415 N/A THR 81.A OG1 SER 98.A OG no hydrogen 3.390 N/A GLN 82.A NE2 ASP 100.A O no hydrogen 2.774 N/A ILE 85.A N THR 81.A O no hydrogen 2.923 N/A LYS 86.A N GLN 82.A O no hydrogen 2.999 N/A LYS 86.A NZ LYS 118.A O no hydrogen 3.542 N/A GLU 87.A N GLU 83.A O no hydrogen 3.360 N/A GLU 87.A N ILE 84.A O no hydrogen 3.268 N/A LEU 88.A N ILE 85.A O no hydrogen 3.106 N/A LEU 92.A N PRO 89.A O no hydrogen 3.339 N/A LYS 93.A NZ MET 329.A O no hydrogen 2.908 N/A ILE 94.A N ARG 142.A O no hydrogen 2.638 N/A VAL 95.A N VAL 72.A O no hydrogen 3.012 N/A ASP 96.A N VAL 144.A O no hydrogen 2.841 N/A LEU 97.A N CYS 74.A O no hydrogen 2.785 N/A SER 98.A N ASP 96.A OD1 no hydrogen 3.031 N/A SER 98.A OG THR 81.A OG1 no hydrogen 3.390 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 3.193 N/A SER 98.A OG ASP 96.A OD2 no hydrogen 2.607 N/A ALA 99.A N HIS 78.A ND1 no hydrogen 3.208 N/A ASP 100.A N SER 98.A OG no hydrogen 3.096 N/A ARG 102.A N ALA 99.A O no hydrogen 3.134 N/A ARG 102.A NE SER 98.A O no hydrogen 3.255 N/A ARG 102.A NE ASN 146.A O no hydrogen 2.858 N/A ARG 102.A NH1 GLU 213.A OE1 no hydrogen 2.952 N/A ARG 102.A NH2 LEU 97.A O no hydrogen 3.007 N/A ARG 102.A NH2 ASN 146.A O no hydrogen 3.472 N/A ARG 104.A N GLN 216.A OE1 no hydrogen 2.997 N/A GLU 108.A N ASN 105.A OD1 no hydrogen 2.940 N/A TYR 109.A N ASN 105.A O no hydrogen 3.051 N/A TYR 109.A OH ASP 100.A OD1 no hydrogen 2.642 N/A GLU 110.A N ILE 106.A O no hydrogen 3.049 N/A GLU 111.A N ALA 107.A O no hydrogen 3.008 N/A TRP 112.A N GLU 108.A O no hydrogen 3.160 N/A TYR 113.A N TYR 109.A O no hydrogen 2.805 N/A GLY 114.A N GLU 110.A O no hydrogen 2.945 N/A GLN 115.A NE2 GLY 79.A O no hydrogen 3.404 N/A HIS 117.A NE2 GLN 123.A OE1 no hydrogen 2.765 N/A LYS 118.A N GLN 82.A OE1 no hydrogen 2.684 N/A LYS 118.A NZ GLU 83.A OE1 no hydrogen 3.101 N/A ALA 119.A N HIS 117.A ND1 no hydrogen 3.126 N/A GLN 123.A N ALA 119.A O no hydrogen 3.037 N/A GLN 123.A NE2 PHE 101.A O no hydrogen 2.942 N/A GLN 123.A NE2 GLN 123.A O no hydrogen 2.946 N/A LYS 124.A N GLU 121.A O no hydrogen 3.093 N/A GLU 125.A N LEU 122.A O no hydrogen 3.013 N/A VAL 126.A N GLN 123.A O no hydrogen 3.255 N/A VAL 127.A N LEU 143.A O no hydrogen 3.272 N/A TYR 128.A OH GLU 213.A OE2 no hydrogen 2.499 N/A GLY 129.A N ALA 145.A O no hydrogen 2.770 N/A LEU 130.A N TYR 128.A O no hydrogen 3.060 N/A THR 131.A OG1 GLY 129.A O no hydrogen 3.515 N/A THR 131.A OG1 GLN 321.A OE1 no hydrogen 3.522 N/A THR 131.A OG1 ASN 325.A OD1 no hydrogen 2.871 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.676 N/A ILE 133.A N LEU 130.A O no hydrogen 2.911 N/A LEU 134.A N LEU 130.A O no hydrogen 2.981 N/A ARG 135.A NH1 GLU 334.A OE1 no hydrogen 2.803 N/A ARG 135.A NH2 GLU 269.A OE1 no hydrogen 3.448 N/A ARG 135.A NH2 GLU 269.A OE2 no hydrogen 2.447 N/A ILE 138.A N LEU 134.A O no hydrogen 2.909 N/A LYS 139.A N ARG 135.A O no hydrogen 3.000 N/A LYS 139.A NZ GLU 136.A OE2 no hydrogen 3.086 N/A LYS 140.A N ASP 137.A O no hydrogen 3.333 N/A ALA 141.A N ILE 138.A O no hydrogen 3.072 N/A ARG 142.A NH1 LEU 92.A O no hydrogen 2.953 N/A VAL 144.A N ILE 94.A O no hydrogen 2.756 N/A ALA 145.A N VAL 127.A O no hydrogen 2.999 N/A ASN 146.A N ASP 96.A O no hydrogen 2.767 N/A ASN 146.A ND2 ALA 318.A O no hydrogen 2.789 N/A GLY 148.A N GLU 213.A OE2 no hydrogen 2.784 N/A TYR 150.A OH TYR 203.A OH no hydrogen 2.873 N/A THR 152.A N GLY 148.A O no hydrogen 3.329 N/A THR 152.A N CYS 149.A O no hydrogen 3.021 N/A THR 152.A OG1 GLY 148.A O no hydrogen 2.845 N/A THR 153.A N CYS 149.A O no hydrogen 3.344 N/A THR 153.A OG1 TYR 150.A O no hydrogen 2.753 N/A THR 153.A OG1 SER 243.A OG no hydrogen 2.754 N/A ILE 154.A N TYR 150.A O no hydrogen 3.166 N/A ILE 154.A N PRO 151.A O no hydrogen 3.269 N/A GLN 155.A N PRO 151.A O no hydrogen 2.922 N/A GLN 155.A NE2 TYR 128.A OH no hydrogen 2.853 N/A GLN 155.A NE2 PRO 151.A O no hydrogen 3.242 N/A LEU 156.A N THR 152.A O no hydrogen 3.381 N/A LEU 158.A N ILE 154.A O no hydrogen 3.199 N/A VAL 159.A N GLN 155.A O no hydrogen 2.894 N/A LEU 162.A N LEU 158.A O no hydrogen 2.849 N/A LYS 163.A N VAL 159.A O no hydrogen 2.882 N/A ALA 164.A N PRO 160.A O no hydrogen 3.112 N/A ASN 165.A N LEU 162.A O no hydrogen 2.919 N/A LEU 166.A N LEU 161.A O no hydrogen 2.884 N/A LYS 168.A N GLU 248.A O no hydrogen 2.831 N/A LYS 168.A NZ GLU 248.A OE2 no hydrogen 2.727 N/A ILE 173.A N TYR 246.A O no hydrogen 3.000 N/A ILE 174.A N SER 229.A O no hydrogen 2.719 N/A ASP 175.A N THR 244.A O no hydrogen 3.020 N/A ALA 176.A N THR 231.A O no hydrogen 3.000 N/A LYS 177.A N GLN 242.A O no hydrogen 2.759 N/A LYS 177.A NZ ASP 175.A O no hydrogen 2.823 N/A LYS 177.A NZ ASP 175.A OD1 no hydrogen 2.990 N/A LYS 177.A NZ THR 244.A OG1 no hydrogen 2.799 N/A SER 178.A N HIS 233.A O no hydrogen 2.940 N/A SER 178.A OG GLY 179.A O no hydrogen 2.917 N/A GLY 179.A N GLY 240.A O no hydrogen 2.818 N/A VAL 180.A N MET 237.A O no hydrogen 2.805 N/A SER 181.A N ILE 238.A O no hydrogen 3.077 N/A SER 181.A OG ILE 238.A O no hydrogen 2.628 N/A GLY 182.A N GLY 179.A O no hydrogen 3.356 N/A ALA 183.A N VAL 180.A O no hydrogen 2.873 N/A GLY 184.A N SER 181.A O no hydrogen 3.079 N/A ARG 185.A NH1 VAL 46.A O no hydrogen 2.965 N/A ARG 185.A NH2 VAL 46.A O no hydrogen 3.056 N/A LYS 188.A N GLY 186.A O no hydrogen 2.818 N/A ASN 191.A N LYS 188.A O no hydrogen 2.995 N/A LEU 192.A N GLU 189.A O no hydrogen 3.158 N/A GLU 195.A N LEU 192.A O no hydrogen 3.014 N/A ILE 196.A N LEU 192.A O no hydrogen 2.976 N/A ALA 197.A N TYR 193.A O no hydrogen 2.899 N/A TYR 203.A N PRO 232.A O no hydrogen 3.153 N/A TYR 203.A OH TYR 150.A OH no hydrogen 2.873 N/A ARG 207.A N VAL 205.A O no hydrogen 2.707 N/A ARG 209.A NE TRP 112.A O no hydrogen 3.274 N/A HIS 210.A N HIS 208.A ND1 no hydrogen 2.896 N/A VAL 211.A N HIS 208.A O no hydrogen 2.838 N/A ILE 214.A N HIS 210.A O no hydrogen 2.839 N/A GLU 215.A N VAL 211.A O no hydrogen 2.892 N/A GLN 216.A N PRO 212.A O no hydrogen 2.914 N/A GLN 216.A NE2 ARG 102.A O no hydrogen 3.083 N/A GLY 217.A N GLU 213.A O no hydrogen 3.305 N/A LEU 218.A N ILE 214.A O no hydrogen 3.120 N/A SER 219.A N GLU 215.A O no hydrogen 2.671 N/A SER 219.A OG GLU 215.A O no hydrogen 2.730 N/A SER 219.A OG SER 224.A O no hydrogen 3.522 N/A ASP 220.A N GLN 216.A O no hydrogen 3.013 N/A VAL 221.A N GLY 217.A O no hydrogen 3.461 N/A ALA 222.A N LEU 218.A O no hydrogen 2.911 N/A SER 224.A N SER 219.A O no hydrogen 3.424 N/A LYS 225.A NZ GLU 215.A OE1 no hydrogen 2.682 N/A LYS 225.A NZ VAL 226.A O no hydrogen 3.047 N/A VAL 226.A N SER 219.A OG no hydrogen 2.914 N/A VAL 228.A N GLU 215.A OE2 no hydrogen 2.988 N/A SER 229.A N ILE 172.A O no hydrogen 3.128 N/A THR 231.A N ILE 174.A O no hydrogen 2.871 N/A HIS 233.A ND1 ALA 176.A O no hydrogen 2.843 N/A LEU 234.A N SER 201.A O no hydrogen 2.782 N/A MET 235.A N SER 178.A O no hydrogen 2.771 N/A MET 237.A N MET 235.A O no hydrogen 2.796 N/A ARG 239.A NH1 GLU 17.A OE2 no hydrogen 2.937 N/A ARG 239.A NH1 ASP 312.A OD2 no hydrogen 2.948 N/A ARG 239.A NH2 GLU 17.A OE1 no hydrogen 2.918 N/A GLY 240.A N ASN 313.A OD1 no hydrogen 2.956 N/A MET 241.A N ILE 311.A O no hydrogen 2.918 N/A GLN 242.A N LYS 177.A O no hydrogen 2.962 N/A GLN 242.A NE2 THR 244.A OG1 no hydrogen 3.042 N/A SER 243.A N SER 309.A O no hydrogen 2.963 N/A SER 243.A OG THR 153.A OG1 no hydrogen 2.754 N/A THR 244.A N ASP 175.A O no hydrogen 3.021 N/A ILE 245.A N ILE 307.A O no hydrogen 2.651 N/A TYR 246.A N ILE 173.A O no hydrogen 2.781 N/A VAL 247.A N ALA 305.A O no hydrogen 3.109 N/A MET 249.A N GLY 303.A O no hydrogen 2.720 N/A ALA 250.A N LEU 166.A O no hydrogen 2.950 N/A VAL 253.A N ALA 250.A O no hydrogen 3.074 N/A ARG 254.A N ASP 257.A OD2 no hydrogen 2.706 N/A THR 255.A OG1 GLU 256.A OE2 no hydrogen 2.633 N/A ASP 257.A N ARG 254.A O no hydrogen 2.965 N/A LEU 258.A N ARG 254.A O no hydrogen 3.464 N/A HIS 259.A N THR 255.A O no hydrogen 2.971 N/A HIS 259.A NE2 LEU 275.A O no hydrogen 3.102 N/A GLN 260.A N GLU 256.A O no hydrogen 2.966 N/A GLN 260.A NE2 THR 264.A OG1 no hydrogen 3.143 N/A GLN 261.A N ASP 257.A O no hydrogen 2.968 N/A LEU 262.A N LEU 258.A O no hydrogen 3.020 N/A LYS 263.A N HIS 259.A O no hydrogen 2.818 N/A THR 264.A N GLN 260.A O no hydrogen 2.855 N/A THR 264.A OG1 GLN 260.A O no hydrogen 3.083 N/A SER 265.A N GLN 261.A O no hydrogen 2.858 N/A SER 265.A OG GLN 261.A O no hydrogen 2.847 N/A SER 265.A OG GLN 261.A OE1 no hydrogen 2.997 N/A TYR 266.A N LEU 262.A O no hydrogen 3.096 N/A TYR 266.A OH LEU 156.A O no hydrogen 2.579 N/A GLU 269.A N TYR 266.A O no hydrogen 2.986 N/A LYS 273.A N CYS 292.A O no hydrogen 2.797 N/A LYS 273.A NZ GLU 269.A O no hydrogen 3.497 N/A LYS 273.A NZ GLU 270.A O no hydrogen 2.782 N/A LEU 275.A N MET 294.A O no hydrogen 2.923 N/A VAL 279.A N ASP 276.A O no hydrogen 2.935 N/A ASN 285.A N ARG 282.A O no hydrogen 2.927 N/A VAL 286.A N THR 283.A O no hydrogen 3.198 N/A ARG 287.A NE LEU 343.A O no hydrogen 3.512 N/A GLY 288.A N ASP 312.A OD2 no hydrogen 2.697 N/A SER 289.A N VAL 286.A O no hydrogen 2.952 N/A SER 289.A OG VAL 286.A O no hydrogen 2.644 N/A ASN 290.A ND2 GLN 324.A OE1 no hydrogen 3.010 N/A TYR 291.A N SER 289.A OG no hydrogen 3.373 N/A TYR 291.A OH GLU 270.A OE2 no hydrogen 2.562 N/A CYS 292.A N PHE 271.A O no hydrogen 2.758 N/A CYS 292.A SG SER 309.A OG no hydrogen 3.637 N/A CYS 292.A SG VAL 310.A O no hydrogen 3.659 N/A HIS 293.A N VAL 310.A O no hydrogen 3.127 N/A MET 294.A N LYS 273.A O no hydrogen 2.960 N/A SER 295.A N ILE 308.A O no hydrogen 2.977 N/A SER 295.A OG VAL 279.A O no hydrogen 2.686 N/A PHE 297.A N ILE 306.A O no hydrogen 2.727 N/A ASP 299.A N ARG 304.A O no hydrogen 3.009 N/A ILE 301.A N ASP 299.A OD1 no hydrogen 2.761 N/A ARG 304.A N ILE 301.A O no hydrogen 3.042 N/A ARG 304.A NH2 ASN 171.A O no hydrogen 2.874 N/A ALA 305.A N VAL 247.A O no hydrogen 2.881 N/A ILE 306.A N PHE 297.A O no hydrogen 2.680 N/A ILE 307.A N ILE 245.A O no hydrogen 2.826 N/A ILE 308.A N SER 295.A O no hydrogen 3.008 N/A SER 309.A N SER 243.A O no hydrogen 3.075 N/A SER 309.A OG THR 153.A O no hydrogen 2.792 N/A VAL 310.A N HIS 293.A O no hydrogen 2.906 N/A ILE 311.A N MET 241.A O no hydrogen 3.073 N/A ASN 313.A ND2 SER 181.A OG no hydrogen 2.981 N/A LEU 314.A N ASP 312.A OD1 no hydrogen 2.823 N/A VAL 315.A N ASP 312.A O no hydrogen 3.025 N/A LYS 316.A NZ GLU 132.A OE1 no hydrogen 2.766 N/A LYS 316.A NZ GLU 132.A OE2 no hydrogen 3.148 N/A LYS 316.A NZ GLN 321.A OE1 no hydrogen 2.796 N/A LYS 316.A NZ GLN 324.A OE1 no hydrogen 2.976 N/A GLY 317.A N ASP 312.A O no hydrogen 3.245 N/A ALA 318.A N VAL 315.A O no hydrogen 2.865 N/A SER 319.A N LEU 314.A O no hydrogen 3.123 N/A SER 319.A OG THR 14.A O no hydrogen 2.773 N/A GLN 321.A N VAL 315.A O no hydrogen 3.130 N/A GLN 321.A NE2 THR 152.A OG1 no hydrogen 3.129 N/A ALA 322.A N ALA 318.A O no hydrogen 2.984 N/A LEU 323.A N SER 319.A O no hydrogen 3.048 N/A GLN 324.A N GLY 320.A O no hydrogen 2.914 N/A GLN 324.A NE2 GLU 132.A OE2 no hydrogen 2.777 N/A GLN 324.A NE2 GLU 334.A OE2 no hydrogen 2.759 N/A ASN 325.A N GLN 321.A O no hydrogen 2.856 N/A ASN 325.A ND2 GLY 129.A O no hydrogen 2.875 N/A ASN 325.A ND2 ASN 146.A OD1 no hydrogen 2.982 N/A LEU 326.A N ALA 322.A O no hydrogen 2.981 N/A ASN 327.A N LEU 323.A O no hydrogen 2.857 N/A ASN 327.A ND2 GLU 334.A O no hydrogen 3.034 N/A ASN 327.A ND2 THR 336.A O no hydrogen 2.924 N/A MET 329.A N ASN 325.A O no hydrogen 3.020 N/A LEU 330.A N LEU 326.A O no hydrogen 2.984 N/A LEU 330.A N ASN 327.A O no hydrogen 3.210 N/A GLY 331.A N ILE 328.A O no hydrogen 3.124 N/A TYR 332.A N ASN 327.A O no hydrogen 2.845 N/A THR 336.A N PRO 333.A O no hydrogen 3.042 N/A THR 336.A OG1 PRO 333.A O no hydrogen 2.878 N/A LEU 338.A N THR 335.A O no hydrogen 2.905 N/A GLN 341.A NE2 TYR 291.A OH no hydrogen 3.270 N/A GLN 341.A NE2 LEU 339.A O no hydrogen 2.903 N/A LEU 343.A N ARG 287.A O no hydrogen 2.818 N/A