Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ayy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 2.A N HIS 1.A ND1 no hydrogen 3.095 N/A LEU 4.A N HIS 1.A O no hydrogen 3.007 N/A VAL 5.A N MET 2.A O no hydrogen 2.951 N/A ARG 6.A N GLU 3.A O no hydrogen 3.011 N/A VAL 7.A N LEU 4.A O no hydrogen 2.827 N/A THR 8.A OG1 VAL 5.A O no hydrogen 3.290 N/A THR 8.A OG1 THR 266.A OG1 no hydrogen 2.894 N/A GLU 9.A N VAL 5.A O no hydrogen 2.734 N/A ALA 10.A N ARG 6.A O no hydrogen 2.933 N/A GLY 11.A N VAL 7.A O no hydrogen 3.030 N/A ALA 12.A N THR 8.A O no hydrogen 2.817 N/A MET 13.A N GLU 9.A O no hydrogen 2.991 N/A ALA 14.A N ALA 10.A O no hydrogen 2.950 N/A ALA 15.A N GLY 11.A O no hydrogen 3.001 N/A GLY 16.A N ALA 12.A O no hydrogen 2.725 N/A TRP 18.A N ALA 15.A O no hydrogen 2.795 N/A VAL 19.A N GLY 16.A O no hydrogen 3.208 N/A GLY 20.A N MET 88.A O no hydrogen 2.887 N/A ARG 21.A N TRP 18.A O no hydrogen 2.932 N/A GLY 22.A N SER 89.A O no hydrogen 2.822 N/A LYS 24.A NZ THR 86.A OG1 no hydrogen 2.419 N/A GLY 26.A N ASP 23.A OD1 no hydrogen 2.863 N/A GLY 27.A N ASP 23.A O no hydrogen 3.177 N/A ASP 28.A N LYS 24.A O no hydrogen 2.937 N/A GLY 29.A N GLU 25.A O no hydrogen 2.848 N/A ALA 30.A N GLY 26.A O no hydrogen 3.126 N/A ALA 31.A N GLY 27.A O no hydrogen 3.104 N/A VAL 32.A N ASP 28.A O no hydrogen 2.762 N/A ASP 33.A N GLY 29.A O no hydrogen 2.823 N/A ALA 34.A N ALA 30.A O no hydrogen 2.952 N/A MET 35.A N ALA 31.A O no hydrogen 2.839 N/A ARG 36.A N VAL 32.A O no hydrogen 2.995 N/A ARG 36.A NH1 GLU 65.A OE1 no hydrogen 3.483 N/A GLU 37.A N ASP 33.A O no hydrogen 3.058 N/A LEU 38.A N ALA 34.A O no hydrogen 3.224 N/A VAL 39.A N MET 35.A O no hydrogen 2.816 N/A ASN 40.A N ARG 36.A O no hydrogen 3.013 N/A SER 41.A N LEU 38.A O no hydrogen 3.295 N/A SER 41.A OG LEU 38.A O no hydrogen 2.989 N/A VAL 42.A N VAL 39.A O no hydrogen 3.132 N/A SER 43.A OG SER 43.A O no hydrogen 2.508 N/A MET 44.A N ASN 69.A OD1 no hydrogen 2.974 N/A GLY 46.A N VAL 67.A O no hydrogen 2.942 N/A VAL 47.A N CYS 75.A O no hydrogen 3.212 N/A VAL 48.A N GLU 65.A O no hydrogen 2.768 N/A VAL 49.A N PHE 77.A O no hydrogen 2.883 N/A ILE 50.A N PHE 77.A O no hydrogen 3.374 N/A GLU 52.A N LEU 61.A O no hydrogen 2.900 N/A GLY 53.A N ASN 63.A OD1 no hydrogen 3.355 N/A HIS 57.A N ASP 56.A OD2 no hydrogen 2.611 N/A TYR 62.A N GLU 65.A OE2 no hydrogen 3.338 N/A ASN 63.A N GLY 53.A O no hydrogen 2.597 N/A GLY 64.A N VAL 48.A O no hydrogen 2.744 N/A GLU 65.A N TYR 62.A O no hydrogen 3.016 N/A VAL 67.A N GLY 46.A O no hydrogen 3.078 N/A GLY 68.A N ASN 40.A OD1 no hydrogen 3.033 N/A ASN 69.A N VAL 42.A O no hydrogen 3.020 N/A GLY 70.A N MET 44.A O no hydrogen 3.448 N/A ASP 71.A N ASN 69.A OD1 no hydrogen 3.091 N/A CYS 75.A N ARG 45.A O no hydrogen 2.972 N/A CYS 75.A SG ARG 45.A O no hydrogen 3.390 N/A ASP 76.A N ALA 102.A O no hydrogen 2.438 N/A PHE 77.A N VAL 47.A O no hydrogen 3.057 N/A ALA 78.A N ALA 100.A O no hydrogen 2.769 N/A VAL 79.A N ILE 50.A O no hydrogen 2.849 N/A ASP 80.A N VAL 98.A O no hydrogen 2.824 N/A ASP 83.A N ILE 96.A O no hydrogen 2.704 N/A THR 85.A OG1 ASP 28.A OD1 no hydrogen 2.794 N/A THR 85.A OG1 ASP 28.A OD2 no hydrogen 3.396 N/A THR 85.A OG1 ILE 82.A O no hydrogen 3.428 N/A MET 88.A N GLY 84.A O no hydrogen 2.951 N/A SER 89.A N THR 85.A O no hydrogen 2.844 N/A SER 89.A OG THR 86.A O no hydrogen 2.816 N/A LYS 90.A N THR 86.A O no hydrogen 3.080 N/A LYS 90.A N LEU 87.A O no hydrogen 3.299 N/A GLY 91.A N MET 88.A O no hydrogen 3.034 N/A MET 92.A N LEU 87.A O no hydrogen 2.841 N/A ASN 94.A N ASP 270.A O no hydrogen 3.037 N/A ALA 95.A N THR 269.A OG1 no hydrogen 3.244 N/A ILE 96.A N ASP 83.A O no hydrogen 3.469 N/A SER 97.A N THR 266.A O no hydrogen 2.923 N/A SER 97.A OG PRO 81.A O no hydrogen 2.882 N/A VAL 98.A N ASP 80.A O no hydrogen 3.051 N/A LEU 99.A N CYS 264.A O no hydrogen 3.025 N/A ALA 100.A N ALA 78.A O no hydrogen 2.822 N/A VAL 101.A N PHE 262.A O no hydrogen 2.881 N/A ALA 102.A N ASP 76.A O no hydrogen 2.913 N/A ARG 104.A NH1 ASP 76.A OD1 no hydrogen 2.634 N/A GLY 105.A N ASP 76.A OD1 no hydrogen 2.709 N/A THR 106.A N ASP 103.A O no hydrogen 2.953 N/A THR 106.A OG1 SER 257.A OG no hydrogen 2.544 N/A MET 107.A N ASP 76.A OD2 no hydrogen 2.807 N/A PHE 108.A N LEU 255.A O no hydrogen 2.852 N/A SER 111.A N ASP 109.A OD1 no hydrogen 2.748 N/A SER 111.A OG ASP 109.A OD1 no hydrogen 2.602 N/A SER 111.A OG ASP 109.A OD2 no hydrogen 3.412 N/A ALA 112.A N ASP 109.A O no hydrogen 3.444 N/A PHE 114.A N GLU 235.A OE2 no hydrogen 2.924 N/A MET 116.A N GLY 205.A O no hydrogen 2.752 N/A ASN 117.A N GLN 227.A O no hydrogen 2.847 N/A LYS 118.A N GLY 203.A O no hydrogen 2.728 N/A LYS 118.A NZ ASP 184.A OD2 no hydrogen 2.620 N/A LYS 118.A NZ GLY 206.A O no hydrogen 2.601 N/A ILE 119.A N GLN 225.A O no hydrogen 3.012 N/A ALA 120.A N LEU 201.A O no hydrogen 2.852 N/A VAL 121.A N ALA 223.A O no hydrogen 2.846 N/A ASP 124.A N ASP 124.A OD1 no hydrogen 2.500 N/A ALA 126.A N PRO 123.A O no hydrogen 2.982 N/A VAL 128.A N ALA 125.A O no hydrogen 3.339 N/A ASP 130.A N ASN 138.A OD1 no hydrogen 2.926 N/A ILE 131.A N GLN 225.A OE1 no hydrogen 2.661 N/A THR 132.A N ASP 130.A OD1 no hydrogen 3.236 N/A THR 132.A OG1 ASP 130.A OD1 no hydrogen 2.493 N/A THR 132.A OG1 ASP 130.A OD2 no hydrogen 2.920 N/A ALA 133.A N ASP 130.A O no hydrogen 3.220 N/A ASN 138.A N PRO 134.A O no hydrogen 3.376 N/A ASN 138.A ND2 ASP 130.A O no hydrogen 2.812 N/A ASN 138.A ND2 PRO 134.A O no hydrogen 3.209 N/A ILE 139.A N ILE 135.A O no hydrogen 2.718 N/A ARG 140.A N SER 136.A O no hydrogen 2.847 N/A ALA 141.A N GLU 137.A O no hydrogen 2.985 N/A VAL 142.A N ASN 138.A O no hydrogen 2.873 N/A ALA 143.A N ILE 139.A O no hydrogen 2.727 N/A LYS 144.A N ARG 140.A O no hydrogen 2.934 N/A LYS 144.A N ALA 141.A O no hydrogen 2.921 N/A VAL 145.A N ALA 141.A O no hydrogen 2.923 N/A LYS 146.A N VAL 142.A O no hydrogen 2.953 N/A LYS 146.A NZ ASP 199.A O no hydrogen 3.381 N/A ASP 147.A N LYS 144.A O no hydrogen 2.844 N/A LEU 148.A N ALA 143.A O no hydrogen 2.828 N/A ARG 151.A N SER 149.A OG no hydrogen 3.158 N/A ASP 152.A N SER 149.A O no hydrogen 3.244 N/A MET 153.A N VAL 150.A O no hydrogen 3.030 N/A THR 154.A N ASP 199.A OD2 no hydrogen 2.738 N/A VAL 155.A N ARG 176.A O no hydrogen 2.772 N/A CYS 156.A N LEU 200.A O no hydrogen 2.732 N/A CYS 156.A SG ARG 178.A O no hydrogen 3.946 N/A ILE 157.A N ARG 178.A O no hydrogen 3.134 N/A ASP 159.A N ILE 180.A O no hydrogen 2.861 N/A ARG 160.A NH1 ASP 159.A O no hydrogen 3.065 N/A ARG 160.A NH1 THR 181.A O no hydrogen 3.217 N/A ARG 160.A NH2 THR 181.A O no hydrogen 3.042 N/A ARG 162.A NE HIS 163.A NE2 no hydrogen 3.473 N/A ARG 162.A NE ILE 204.A O no hydrogen 3.322 N/A ARG 162.A NH1 ILE 204.A O no hydrogen 2.492 N/A HIS 163.A N ARG 160.A O no hydrogen 2.886 N/A HIS 163.A ND1 LEU 158.A O no hydrogen 3.006 N/A ALA 164.A N PRO 161.A O no hydrogen 3.078 N/A GLN 165.A NE2 ASP 169.A OD2 no hydrogen 2.792 N/A ILE 167.A N HIS 163.A O no hydrogen 2.815 N/A HIS 168.A N ALA 164.A O no hydrogen 3.046 N/A HIS 168.A ND1 ASP 169.A OD2 no hydrogen 2.970 N/A ASP 169.A N GLN 165.A O no hydrogen 2.947 N/A VAL 170.A N LEU 166.A O no hydrogen 3.184 N/A ARG 171.A N ILE 167.A O no hydrogen 3.057 N/A ALA 172.A N HIS 168.A O no hydrogen 2.885 N/A THR 173.A N ASP 169.A O no hydrogen 3.088 N/A THR 173.A N VAL 170.A O no hydrogen 3.264 N/A THR 173.A OG1 VAL 170.A O no hydrogen 2.935 N/A GLY 174.A N ARG 171.A O no hydrogen 2.587 N/A ALA 175.A N THR 173.A OG1 no hydrogen 3.295 N/A ARG 176.A N MET 153.A O no hydrogen 2.696 N/A ARG 176.A NH1 ARG 151.A O no hydrogen 3.435 N/A ARG 178.A N VAL 155.A O no hydrogen 2.801 N/A ARG 178.A NE THR 198.A OG1 no hydrogen 2.923 N/A ARG 178.A NH2 SER 190.A OG no hydrogen 2.754 N/A ARG 178.A NH2 THR 198.A OG1 no hydrogen 3.409 N/A ILE 180.A N ILE 157.A O no hydrogen 3.029 N/A GLY 187.A N GLY 183.A O no hydrogen 2.813 N/A ALA 188.A N ASP 184.A O no hydrogen 3.010 N/A ILE 189.A N VAL 185.A O no hydrogen 3.150 N/A SER 190.A N ALA 186.A O no hydrogen 2.908 N/A ALA 191.A N GLY 187.A O no hydrogen 3.005 N/A CYS 192.A N ALA 188.A O no hydrogen 2.910 N/A CYS 192.A SG VAL 121.A O no hydrogen 3.394 N/A CYS 192.A SG ALA 188.A O no hydrogen 3.493 N/A ARG 193.A N SER 190.A O no hydrogen 3.125 N/A HIS 195.A ND1 HIS 195.A O no hydrogen 3.070 N/A SER 196.A OG SER 190.A O no hydrogen 2.660 N/A THR 198.A N SER 196.A OG no hydrogen 3.256 N/A THR 198.A OG1 SER 190.A OG no hydrogen 3.098 N/A ASP 199.A N THR 154.A O no hydrogen 2.953 N/A LEU 200.A N THR 154.A O no hydrogen 3.262 N/A LEU 201.A N ALA 120.A O no hydrogen 3.067 N/A ALA 202.A N CYS 156.A O no hydrogen 3.178 N/A GLY 203.A N LYS 118.A O no hydrogen 2.882 N/A ILE 204.A N HIS 163.A NE2 no hydrogen 2.965 N/A GLY 205.A N MET 116.A O no hydrogen 3.056 N/A THR 207.A N PHE 114.A O no hydrogen 2.730 N/A THR 207.A OG1 VAL 113.A O no hydrogen 2.550 N/A THR 207.A OG1 PHE 114.A O no hydrogen 2.976 N/A GLU 209.A N GLU 209.A OE1 no hydrogen 2.292 N/A GLY 210.A N GLY 206.A O no hydrogen 2.991 N/A ILE 211.A N THR 207.A O no hydrogen 3.027 N/A ILE 212.A N PRO 208.A O no hydrogen 2.832 N/A ALA 213.A N GLU 209.A O no hydrogen 2.834 N/A ALA 214.A N GLY 210.A O no hydrogen 2.980 N/A ALA 215.A N ILE 211.A O no hydrogen 3.114 N/A ALA 216.A N ILE 212.A O no hydrogen 3.344 N/A ILE 217.A N ALA 213.A O no hydrogen 3.043 N/A ARG 218.A N ALA 214.A O no hydrogen 2.776 N/A ARG 218.A NH1 VAL 256.A O no hydrogen 2.646 N/A ARG 218.A NH1 GLY 258.A O no hydrogen 3.220 N/A ARG 218.A NH2 GLY 258.A O no hydrogen 2.912 N/A CYS 219.A N ALA 216.A O no hydrogen 2.833 N/A CYS 219.A SG ALA 215.A O no hydrogen 3.376 N/A CYS 219.A SG VAL 261.A O no hydrogen 3.421 N/A MET 220.A N ALA 216.A O no hydrogen 2.844 N/A GLY 221.A N ILE 217.A O no hydrogen 3.047 N/A ALA 223.A N VAL 121.A O no hydrogen 2.859 N/A ILE 224.A N THR 252.A OG1 no hydrogen 2.995 N/A GLN 225.A N ILE 119.A O no hydrogen 2.823 N/A GLN 225.A NE2 LEU 129.A O no hydrogen 2.850 N/A ALA 226.A N LEU 250.A O no hydrogen 2.735 N/A GLN 227.A N ASN 117.A O no hydrogen 3.100 N/A ALA 229.A N TYR 115.A O no hydrogen 3.090 N/A ARG 231.A N GLU 235.A OE1 no hydrogen 3.091 N/A GLU 235.A N ASP 232.A OD1 no hydrogen 2.714 N/A ARG 236.A N ASP 232.A O no hydrogen 3.051 N/A ARG 237.A N ASP 233.A O no hydrogen 2.844 N/A LYS 238.A N ALA 234.A O no hydrogen 3.137 N/A LYS 238.A NZ SER 111.A O no hydrogen 3.162 N/A ALA 239.A N GLU 235.A O no hydrogen 2.734 N/A LEU 240.A N ARG 236.A O no hydrogen 2.899 N/A GLU 241.A N ARG 237.A O no hydrogen 2.623 N/A ALA 242.A N LYS 238.A O no hydrogen 3.200 N/A GLY 243.A N LEU 240.A O no hydrogen 2.742 N/A TYR 244.A N ALA 239.A O no hydrogen 3.243 N/A ASN 247.A N ASP 245.A OD1 no hydrogen 3.238 N/A GLN 248.A N ASP 245.A O no hydrogen 2.652 N/A LEU 250.A N ALA 226.A O no hydrogen 2.674 N/A THR 251.A N ASP 254.A OD2 no hydrogen 2.895 N/A THR 251.A OG1 GLU 253.A OE1 no hydrogen 3.046 N/A THR 251.A OG1 ASP 254.A OD2 no hydrogen 2.988 N/A THR 252.A OG1 ILE 224.A O no hydrogen 3.316 N/A GLU 253.A N GLU 253.A OE1 no hydrogen 2.667 N/A ASP 254.A N THR 251.A OG1 no hydrogen 3.326 N/A LEU 255.A N THR 251.A O no hydrogen 3.040 N/A VAL 256.A N THR 252.A O no hydrogen 2.937 N/A SER 257.A N THR 106.A O no hydrogen 3.178 N/A SER 257.A OG THR 106.A O no hydrogen 3.490 N/A SER 257.A OG THR 106.A OG1 no hydrogen 2.544 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.568 N/A ASN 260.A N ASP 103.A OD1 no hydrogen 2.766 N/A ASN 260.A ND2 ASP 103.A OD1 no hydrogen 3.527 N/A ASN 260.A ND2 ASP 103.A OD2 no hydrogen 3.017 N/A VAL 261.A N SER 293.A OG no hydrogen 2.763 N/A PHE 262.A N VAL 101.A O no hydrogen 2.735 N/A PHE 263.A N MET 291.A O no hydrogen 3.089 N/A CYS 264.A N LEU 99.A O no hydrogen 2.951 N/A CYS 264.A SG THR 8.A OG1 no hydrogen 3.600 N/A ALA 265.A N ILE 289.A O no hydrogen 2.914 N/A THR 266.A N SER 97.A O no hydrogen 2.977 N/A THR 266.A OG1 THR 8.A OG1 no hydrogen 2.894 N/A THR 266.A OG1 SER 288.A OG no hydrogen 2.314 N/A GLY 267.A N HIS 287.A O no hydrogen 2.947 N/A VAL 268.A N ALA 95.A O no hydrogen 2.807 N/A THR 269.A OG1 MET 92.A O no hydrogen 2.608 N/A GLY 271.A N LEU 274.A O no hydrogen 2.891 N/A ASP 272.A N ASN 94.A OD1 no hydrogen 2.776 N/A LYS 275.A N HIS 287.A ND1 no hydrogen 3.014 N/A LYS 275.A NZ GLU 302.A OE2 no hydrogen 2.824 N/A GLY 276.A N ASP 270.A OD1 no hydrogen 2.960 N/A VAL 277.A N VAL 268.A O no hydrogen 3.064 N/A ARG 278.A N THR 285.A O no hydrogen 3.283 N/A ARG 278.A NH2 ASP 270.A OD1 no hydrogen 3.462 N/A ARG 278.A NH2 ASP 270.A OD2 no hydrogen 2.764 N/A TYR 280.A N GLY 283.A O no hydrogen 2.756 N/A GLY 283.A N TYR 280.A O no hydrogen 3.333 N/A CYS 284.A N HIS 305.A O no hydrogen 2.990 N/A THR 285.A N ARG 278.A O no hydrogen 3.000 N/A THR 286.A N ALA 303.A O no hydrogen 2.919 N/A THR 286.A OG1 HIS 305.A NE2 no hydrogen 2.904 N/A SER 288.A N ILE 301.A O no hydrogen 2.799 N/A SER 288.A OG ALA 265.A O no hydrogen 3.419 N/A SER 288.A OG THR 266.A OG1 no hydrogen 2.314 N/A ILE 289.A N ALA 265.A O no hydrogen 2.905 N/A VAL 290.A N ARG 299.A O no hydrogen 2.889 N/A MET 291.A N PHE 263.A O no hydrogen 2.837 N/A SER 293.A N VAL 261.A O no hydrogen 2.967 N/A SER 293.A OG GLU 259.A O no hydrogen 3.320 N/A SER 293.A OG VAL 261.A O no hydrogen 3.352 N/A SER 295.A OG THR 297.A OG1 no hydrogen 3.082 N/A GLY 296.A N ARG 292.A O no hydrogen 2.683 N/A THR 297.A N SER 295.A OG no hydrogen 3.154 N/A THR 297.A OG1 SER 295.A OG no hydrogen 3.082 N/A ARG 299.A N VAL 290.A O no hydrogen 2.798 N/A ILE 301.A N SER 288.A O no hydrogen 2.683 N/A ALA 303.A N THR 286.A O no hydrogen 3.025 N/A HIS 305.A N CYS 284.A O no hydrogen 2.741 N/A HIS 305.A NE2 THR 286.A OG1 no hydrogen 2.904 N/A ARG 306.A NH1 SER 308.A O no hydrogen 3.010 N/A LEU 307.A N GLY 282.A O no hydrogen 2.951 N/A SER 308.A OG GLY 282.A O no hydrogen 3.228 N/A SER 308.A OG LYS 309.A O no hydrogen 3.198 N/A LYS 309.A NZ GLU 312.A OE2 no hydrogen 3.377 N/A