Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q1u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N ARG 2.A O no hydrogen 3.345 N/A PHE 7.A N GLN 3.A O no hydrogen 3.408 N/A GLN 8.A N LYS 4.A O no hydrogen 3.070 N/A THR 9.A N SER 5.A O no hydrogen 3.363 N/A ARG 10.A N SER 6.A O no hydrogen 2.980 N/A ARG 10.A NE ASP 194.A OD2 no hydrogen 2.965 N/A ARG 10.A NH1 MET 169.A O no hydrogen 3.032 N/A ARG 10.A NH2 MET 169.A O no hydrogen 2.836 N/A ARG 10.A NH2 ASP 194.A OD1 no hydrogen 2.890 N/A PHE 11.A N PHE 7.A O no hydrogen 2.996 N/A ASN 12.A N THR 9.A O no hydrogen 3.022 N/A ASN 12.A ND2 ASP 238.A O no hydrogen 3.073 N/A ASN 12.A ND2 ASP 238.A OD1 no hydrogen 3.477 N/A ASN 12.A ND2 PRO 259.A O no hydrogen 2.699 N/A VAL 13.A N GLN 8.A O no hydrogen 3.009 N/A ARG 15.A N ASN 12.A O no hydrogen 3.073 N/A ARG 15.A NE GLU 16.A O no hydrogen 3.154 N/A ARG 15.A NH1 ASP 238.A O no hydrogen 2.696 N/A ARG 15.A NH1 GLU 276.A OE1 no hydrogen 3.080 N/A ARG 15.A NH2 GLU 276.A OE2 no hydrogen 2.995 N/A VAL 20.A N ALA 295.A O no hydrogen 2.963 N/A ASN 24.A ND2 ASP 327.A OD2 no hydrogen 2.651 N/A ASN 26.A N TYR 325.A O no hydrogen 2.682 N/A VAL 28.A N ALA 323.A O no hydrogen 2.886 N/A ILE 31.A N VAL 28.A O no hydrogen 3.294 N/A GLY 34.A N HIS 321.A O no hydrogen 2.848 N/A SER 35.A N THR 318.A O no hydrogen 2.693 N/A SER 35.A OG LYS 322.A O no hydrogen 2.928 N/A GLU 39.A N PHE 47.A O no hydrogen 2.852 N/A LEU 41.A N LEU 45.A O no hydrogen 2.572 N/A GLY 44.A N LEU 41.A O no hydrogen 2.835 N/A LEU 45.A N ASN 43.A OD1 no hydrogen 2.967 N/A ALA 46.A N MET 61.A O no hydrogen 2.856 N/A PHE 47.A N GLU 39.A O no hydrogen 2.804 N/A ILE 48.A N LEU 59.A O no hydrogen 2.825 N/A SER 49.A N ASP 37.A O no hydrogen 3.001 N/A SER 49.A OG HIS 88.A O no hydrogen 2.801 N/A SER 50.A N LYS 57.A O no hydrogen 2.914 N/A SER 50.A OG LYS 57.A O no hydrogen 3.522 N/A GLY 51.A N ASN 33.A O no hydrogen 3.162 N/A LYS 53.A N ASN 86.A OD1 no hydrogen 3.024 N/A LYS 57.A N SER 50.A O no hydrogen 2.960 N/A LYS 57.A NZ GLU 72.A OE1 no hydrogen 2.858 N/A LEU 59.A N ILE 48.A O no hydrogen 2.676 N/A LEU 60.A N SER 71.A O no hydrogen 2.799 N/A MET 61.A N ALA 46.A O no hydrogen 3.014 N/A LEU 63.A N GLY 44.A O no hydrogen 2.781 N/A ASN 64.A N ASP 62.A OD1 no hydrogen 3.016 N/A ASN 64.A ND2 TYR 310.A OH no hydrogen 2.555 N/A GLU 65.A N ASP 62.A O no hydrogen 3.087 N/A ALA 69.A N GLU 65.A OE1 no hydrogen 3.460 N/A SER 71.A N LEU 60.A O no hydrogen 2.959 N/A LEU 73.A N ILE 58.A O no hydrogen 2.900 N/A ILE 76.A N LEU 126.A O no hydrogen 2.821 N/A THR 79.A OG1 HIS 128.A ND1 no hydrogen 2.601 N/A SER 83.A N ASP 81.A OD1 no hydrogen 3.209 N/A SER 83.A OG ASP 81.A OD1 no hydrogen 2.905 N/A SER 84.A N ASP 81.A O no hydrogen 3.329 N/A SER 84.A OG ASP 81.A O no hydrogen 3.390 N/A PHE 85.A N ILE 82.A O no hydrogen 2.876 N/A ASN 86.A N ASN 106.A OD1 no hydrogen 2.658 N/A ASN 86.A ND2 LYS 53.A O no hydrogen 3.241 N/A ASN 86.A ND2 HIS 107.A O no hydrogen 3.069 N/A HIS 88.A N VAL 105.A O no hydrogen 2.873 N/A HIS 88.A ND1 HIS 107.A NE2 no hydrogen 2.859 N/A GLY 89.A N ASN 141.A O no hydrogen 3.183 N/A ILE 90.A N ASP 37.A OD2 no hydrogen 2.751 N/A SER 91.A N LEU 103.A O no hydrogen 2.905 N/A THR 92.A N GLU 39.A OE1 no hydrogen 3.095 N/A THR 92.A OG1 GLU 39.A OE1 no hydrogen 2.474 N/A PHE 93.A N TYR 101.A O no hydrogen 2.892 N/A ASP 95.A N THR 99.A O no hydrogen 2.846 N/A ASP 96.A N ASP 95.A OD1 no hydrogen 2.739 N/A ASN 98.A N ASP 95.A O no hydrogen 2.834 N/A THR 99.A N ASP 97.A OD1 no hydrogen 3.049 N/A THR 99.A OG1 ASP 97.A OD1 no hydrogen 2.605 N/A TYR 101.A N PHE 93.A O no hydrogen 2.757 N/A LEU 102.A N PHE 117.A O no hydrogen 2.918 N/A LEU 103.A N SER 91.A O no hydrogen 2.859 N/A VAL 104.A N GLU 115.A O no hydrogen 2.838 N/A VAL 105.A N GLY 89.A O no hydrogen 2.845 N/A ASN 106.A N THR 113.A O no hydrogen 2.910 N/A ASN 106.A ND2 GLU 115.A OE2 no hydrogen 3.069 N/A HIS 107.A N ASN 86.A O no hydrogen 3.052 N/A HIS 107.A ND1 SER 111.A O no hydrogen 3.029 N/A HIS 107.A NE2 HIS 88.A ND1 no hydrogen 2.859 N/A SER 111.A OG PRO 108.A O no hydrogen 2.850 N/A SER 112.A OG PRO 138.A O no hydrogen 3.481 N/A THR 113.A N ASN 106.A O no hydrogen 2.995 N/A THR 113.A OG1 GLU 115.A OE2 no hydrogen 2.843 N/A VAL 114.A N ILE 132.A O no hydrogen 2.821 N/A GLU 115.A N VAL 104.A O no hydrogen 2.797 N/A VAL 116.A N LYS 130.A O no hydrogen 2.892 N/A PHE 117.A N LEU 102.A O no hydrogen 2.847 N/A LYS 118.A N LEU 127.A O no hydrogen 2.828 N/A PHE 119.A N VAL 100.A O no hydrogen 2.752 N/A GLN 120.A N SER 125.A O no hydrogen 2.747 N/A LYS 124.A N GLU 121.A O no hydrogen 2.863 N/A SER 125.A N GLN 120.A O no hydrogen 3.213 N/A LEU 126.A N GLU 74.A O no hydrogen 2.715 N/A LEU 127.A N LYS 118.A O no hydrogen 2.983 N/A HIS 128.A N ILE 76.A O no hydrogen 2.869 N/A HIS 128.A ND1 THR 79.A OG1 no hydrogen 2.601 N/A HIS 128.A NE2 GLU 115.A OE1 no hydrogen 2.707 N/A LEU 129.A N VAL 116.A O no hydrogen 2.808 N/A LYS 130.A N VAL 116.A O no hydrogen 3.387 N/A THR 131.A OG1 GLU 115.A OE1 no hydrogen 2.640 N/A ILE 132.A N VAL 114.A O no hydrogen 2.788 N/A LEU 136.A N HIS 134.A ND1 no hydrogen 2.815 N/A LEU 137.A N HIS 134.A O no hydrogen 3.221 N/A SER 139.A N ASN 155.A OD1 no hydrogen 2.916 N/A SER 139.A OG ASP 156.A OD1 no hydrogen 2.739 N/A VAL 140.A N SER 112.A OG no hydrogen 2.940 N/A ASN 141.A N THR 154.A O no hydrogen 2.932 N/A ASN 141.A ND2 ASP 156.A OD2 no hydrogen 3.059 N/A ASP 142.A N THR 154.A OG1 no hydrogen 3.120 N/A ILE 143.A N ASP 142.A OD1 no hydrogen 2.764 N/A VAL 144.A N TYR 152.A O no hydrogen 2.773 N/A ALA 145.A N SER 91.A OG no hydrogen 2.863 N/A VAL 146.A N HIS 150.A O no hydrogen 2.776 N/A GLY 147.A N HIS 150.A O no hydrogen 3.248 N/A GLU 149.A N HIS 150.A ND1 no hydrogen 2.945 N/A PHE 151.A N TYR 181.A O no hydrogen 2.923 N/A TYR 152.A N VAL 144.A O no hydrogen 3.027 N/A TYR 152.A OH TRP 227.A O no hydrogen 2.787 N/A ALA 153.A N THR 179.A O no hydrogen 2.855 N/A THR 154.A N ASP 142.A O no hydrogen 2.859 N/A THR 154.A OG1 ASP 142.A O no hydrogen 3.232 N/A THR 154.A OG1 ASN 197.A O no hydrogen 2.626 N/A ASN 155.A N PHE 177.A O no hydrogen 2.841 N/A ASN 155.A ND2 LEU 136.A O no hydrogen 3.236 N/A ASN 155.A ND2 PHE 177.A O no hydrogen 3.397 N/A ASP 156.A N SER 139.A O no hydrogen 2.914 N/A HIS 157.A ND1 ASP 156.A OD1 no hydrogen 2.740 N/A TYR 158.A N GLU 168.A OE1 no hydrogen 3.256 N/A TYR 158.A N GLU 168.A OE2 no hydrogen 2.733 N/A PHE 159.A N GLU 168.A OE1 no hydrogen 3.135 N/A LEU 164.A N ASP 161.A OD2 no hydrogen 3.249 N/A GLN 165.A N ASP 161.A O no hydrogen 2.710 N/A GLN 165.A NE2 PHE 159.A O no hydrogen 2.841 N/A SER 166.A N PRO 162.A O no hydrogen 2.841 N/A TRP 167.A N TYR 163.A O no hydrogen 3.171 N/A TRP 167.A NE1 TYR 163.A OH no hydrogen 3.321 N/A GLU 168.A N LEU 164.A O no hydrogen 2.607 N/A MET 169.A N GLN 165.A O no hydrogen 2.769 N/A HIS 170.A N SER 166.A O no hydrogen 2.958 N/A LEU 171.A N TRP 167.A O no hydrogen 2.773 N/A GLY 172.A N MET 169.A O no hydrogen 3.074 N/A LEU 173.A N GLU 168.A O no hydrogen 3.442 N/A SER 176.A N PHE 193.A O no hydrogen 3.037 N/A SER 176.A OG ASN 155.A O no hydrogen 3.138 N/A SER 176.A OG PHE 193.A O no hydrogen 3.461 N/A VAL 178.A N ALA 190.A O no hydrogen 2.811 N/A THR 179.A N ALA 153.A O no hydrogen 2.877 N/A THR 179.A OG1 LEU 136.A O no hydrogen 2.531 N/A TYR 180.A N ARG 187.A O no hydrogen 2.849 N/A TYR 181.A N PHE 151.A O no hydrogen 2.896 N/A SER 182.A OG ASP 185.A O no hydrogen 2.780 N/A ASP 185.A N SER 182.A O no hydrogen 3.296 N/A ARG 187.A N TYR 180.A O no hydrogen 3.101 N/A ARG 187.A NE ASP 185.A OD1 no hydrogen 3.184 N/A ARG 187.A NH1 ASN 226.A O no hydrogen 3.547 N/A ARG 187.A NH2 ASN 226.A O no hydrogen 3.259 N/A VAL 189.A N VAL 178.A O no hydrogen 2.865 N/A GLY 192.A N SER 176.A O no hydrogen 3.169 N/A PHE 193.A N SER 176.A O no hydrogen 2.920 N/A ASP 194.A N GLU 212.A OE2 no hydrogen 2.588 N/A ALA 196.A N SER 176.A OG no hydrogen 2.900 N/A ASN 197.A N ALA 211.A O no hydrogen 2.859 N/A ASN 200.A N TYR 209.A O no hydrogen 2.826 N/A ASN 200.A ND2 ILE 244.A O no hydrogen 2.893 N/A ILE 201.A N ASN 200.A OD1 no hydrogen 2.676 N/A SER 202.A N TYR 207.A O no hydrogen 2.937 N/A SER 202.A OG ASP 204.A OD1 no hydrogen 2.661 N/A GLY 205.A N SER 202.A O no hydrogen 2.947 N/A LYS 206.A N ASP 204.A OD1 no hydrogen 2.940 N/A TYR 207.A N SER 202.A OG no hydrogen 3.034 N/A VAL 208.A N TYR 221.A O no hydrogen 2.768 N/A TYR 209.A N ASN 200.A O no hydrogen 2.821 N/A ILE 210.A N HIS 219.A O no hydrogen 2.948 N/A ALA 211.A N GLY 198.A O no hydrogen 2.789 N/A GLU 212.A N LYS 217.A O no hydrogen 2.789 N/A LEU 213.A N PHE 195.A O no hydrogen 2.831 N/A LEU 214.A N ASP 194.A O no hydrogen 3.364 N/A ALA 215.A N GLU 212.A O no hydrogen 3.378 N/A HIS 216.A N LEU 213.A O no hydrogen 3.109 N/A HIS 216.A ND1 LEU 213.A O no hydrogen 3.312 N/A HIS 216.A NE2 THR 9.A O no hydrogen 2.826 N/A LYS 217.A N GLU 212.A O no hydrogen 3.264 N/A ILE 218.A N LEU 235.A O no hydrogen 2.946 N/A HIS 219.A N ILE 210.A O no hydrogen 2.883 N/A HIS 219.A NE2 GLU 212.A OE1 no hydrogen 2.668 N/A VAL 220.A N LYS 233.A O no hydrogen 2.840 N/A TYR 221.A N VAL 208.A O no hydrogen 2.800 N/A GLU 222.A N THR 230.A O no hydrogen 2.904 N/A LYS 223.A N LYS 206.A O no hydrogen 2.751 N/A LYS 223.A NZ GLY 205.A O no hydrogen 2.963 N/A HIS 224.A N THR 228.A O no hydrogen 2.979 N/A TRP 227.A N HIS 224.A O no hydrogen 2.769 N/A THR 228.A N ASN 226.A OD1 no hydrogen 3.280 N/A THR 230.A N GLU 222.A O no hydrogen 2.979 N/A LEU 232.A N VAL 220.A O no hydrogen 2.855 N/A LYS 233.A N VAL 220.A O no hydrogen 3.394 N/A LEU 235.A N ILE 218.A O no hydrogen 2.917 N/A PHE 237.A N HIS 216.A O no hydrogen 2.942 N/A THR 239.A OG1 GLU 276.A OE1 no hydrogen 2.907 N/A LEU 240.A N HIS 258.A O no hydrogen 2.929 N/A ASP 242.A N GLY 256.A O no hydrogen 2.883 N/A ASN 243.A N THR 305.A O no hydrogen 2.885 N/A ASN 243.A ND2 GLU 36.A O no hydrogen 3.050 N/A ASN 243.A ND2 GLU 36.A OE1 no hydrogen 3.247 N/A ASN 243.A ND2 GLU 36.A OE2 no hydrogen 3.089 N/A SER 245.A N TRP 254.A O no hydrogen 2.829 N/A SER 245.A OG ALA 307.A O no hydrogen 2.907 N/A ASP 247.A N ASP 252.A O no hydrogen 2.914 N/A THR 250.A N ASP 247.A OD2 no hydrogen 2.718 N/A THR 250.A OG1 ASP 247.A OD2 no hydrogen 2.419 N/A GLY 251.A N ASP 247.A O no hydrogen 2.634 N/A ASP 252.A N THR 250.A OG1 no hydrogen 2.958 N/A LEU 253.A N ILE 280.A O no hydrogen 2.938 N/A TRP 254.A N SER 245.A O no hydrogen 2.896 N/A VAL 255.A N LEU 278.A O no hydrogen 2.824 N/A GLY 256.A N ASN 243.A O no hydrogen 3.109 N/A CYS 257.A N GLU 276.A O no hydrogen 2.855 N/A CYS 257.A SG VAL 255.A O no hydrogen 3.724 N/A HIS 258.A N LEU 240.A O no hydrogen 2.747 N/A HIS 258.A NE2 ASP 242.A OD1 no hydrogen 2.689 N/A ASN 260.A ND2 VAL 13.A O no hydrogen 3.056 N/A ASN 260.A ND2 ARG 15.A O no hydrogen 3.226 N/A GLY 261.A N PHE 11.A O no hydrogen 2.565 N/A ARG 263.A N ASN 260.A OD1 no hydrogen 3.381 N/A ARG 263.A NE ASN 271.A OD1 no hydrogen 2.981 N/A ARG 263.A NH1 ARG 15.A O no hydrogen 3.494 N/A ARG 263.A NH2 GLU 16.A OE1 no hydrogen 2.825 N/A ARG 263.A NH2 GLU 16.A OE2 no hydrogen 2.768 N/A ILE 264.A N GLY 261.A O no hydrogen 3.259 N/A PHE 265.A N GLY 261.A O no hydrogen 2.877 N/A PHE 266.A N MET 262.A O no hydrogen 2.927 N/A GLU 270.A N ASP 268.A OD2 no hydrogen 3.153 N/A ASN 271.A N ASP 268.A O no hydrogen 2.754 N/A SER 275.A N GLU 296.A O no hydrogen 2.955 N/A SER 275.A OG LEU 301.A O no hydrogen 2.846 N/A GLU 276.A N SER 304.A OG no hydrogen 2.920 N/A VAL 277.A N TYR 294.A O no hydrogen 2.942 N/A LEU 278.A N VAL 255.A O no hydrogen 2.899 N/A ARG 279.A N THR 291.A O no hydrogen 2.801 N/A ARG 279.A NE ASP 252.A OD2 no hydrogen 2.838 N/A ARG 279.A NH2 ASP 252.A OD2 no hydrogen 2.754 N/A ILE 280.A N LEU 253.A O no hydrogen 2.707 N/A GLN 281.A N LYS 289.A O no hydrogen 2.855 N/A SER 285.A OG ASP 282.A O no hydrogen 2.936 N/A SER 285.A OG GLU 287.A O no hydrogen 3.530 N/A LYS 289.A N GLN 281.A O no hydrogen 3.030 N/A THR 291.A N ARG 279.A O no hydrogen 2.859 N/A VAL 293.A N VAL 277.A O no hydrogen 2.842 N/A TYR 294.A OH GLU 296.A OE1 no hydrogen 2.386 N/A ALA 295.A N VAL 20.A O no hydrogen 2.994 N/A GLU 296.A N SER 275.A O no hydrogen 2.965 N/A GLY 298.A N GLU 296.A OE2 no hydrogen 2.841 N/A THR 299.A N ASN 297.A OD1 no hydrogen 3.308 N/A THR 299.A OG1 ASN 297.A OD1 no hydrogen 3.268 N/A VAL 300.A N GLU 296.A OE2 no hydrogen 2.799 N/A LEU 301.A N GLU 296.A OE1 no hydrogen 2.902 N/A LEU 301.A N GLU 296.A OE2 no hydrogen 3.041 N/A GLN 302.A N HIS 321.A ND1 no hydrogen 3.116 N/A GLN 302.A NE2 GLY 298.A O no hydrogen 3.050 N/A GLY 303.A N GLY 274.A O no hydrogen 2.893 N/A SER 304.A N SER 275.A OG no hydrogen 3.091 N/A SER 304.A OG CYS 257.A O no hydrogen 2.935 N/A SER 304.A OG GLU 276.A O no hydrogen 3.415 N/A THR 305.A N GLY 317.A O no hydrogen 2.959 N/A THR 305.A OG1 GLU 36.A O no hydrogen 2.714 N/A THR 305.A OG1 GLY 317.A O no hydrogen 3.375 N/A ALA 308.A N LEU 315.A O no hydrogen 3.096 N/A TYR 310.A N LYS 313.A O no hydrogen 2.836 N/A LYS 313.A N TYR 310.A O no hydrogen 2.913 N/A LEU 314.A N CYS 326.A O no hydrogen 2.890 N/A LEU 315.A N ALA 308.A O no hydrogen 2.838 N/A ILE 316.A N LEU 324.A O no hydrogen 2.862 N/A GLY 317.A N VAL 306.A O no hydrogen 3.008 N/A THR 318.A N SER 35.A OG no hydrogen 2.869 N/A THR 318.A OG1 LYS 322.A O no hydrogen 2.752 N/A VAL 319.A N GLY 303.A O no hydrogen 3.203 N/A HIS 321.A N THR 318.A OG1 no hydrogen 2.965 N/A LEU 324.A N ILE 316.A O no hydrogen 2.931 N/A TYR 325.A N ASN 26.A O no hydrogen 2.918 N/A CYS 326.A N LEU 314.A O no hydrogen 2.921 N/A ASP 327.A N ASN 24.A O no hydrogen 3.359 N/A LEU 328.A N GLY 312.A O no hydrogen 3.016 N/A