Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N LEU 120.A O no hydrogen 2.967 N/A VAL 6.A N SER 28.A O no hydrogen 3.130 N/A VAL 7.A N ALA 123.A O no hydrogen 3.091 N/A VAL 8.A N VAL 30.A O no hydrogen 2.664 N/A ILE 9.A N ILE 125.A O no hydrogen 3.211 N/A GLY 10.A N LEU 32.A O no hydrogen 2.736 N/A GLY 11.A N ASP 33.A OD1 no hydrogen 3.015 N/A LEU 16.A N GLY 12.A O no hydrogen 2.896 N/A SER 17.A N GLN 13.A O no hydrogen 2.875 N/A SER 17.A OG GLN 13.A O no hydrogen 2.764 N/A ALA 18.A N SER 14.A O no hydrogen 2.971 N/A GLY 19.A N GLY 15.A O no hydrogen 2.808 N/A TYR 20.A N LEU 16.A O no hydrogen 2.771 N/A PHE 21.A N SER 17.A O no hydrogen 3.272 N/A LEU 22.A N ALA 18.A O no hydrogen 2.920 N/A ARG 23.A N GLY 19.A O no hydrogen 3.122 N/A SER 25.A N LEU 22.A O no hydrogen 3.404 N/A SER 25.A OG LEU 22.A O no hydrogen 2.848 N/A LEU 27.A N SER 25.A OG no hydrogen 3.202 N/A SER 28.A N ASP 5.A OD2 no hydrogen 2.875 N/A SER 28.A OG ASP 5.A OD2 no hydrogen 3.245 N/A TYR 29.A OH GLY 19.A O no hydrogen 3.183 N/A VAL 30.A N VAL 6.A O no hydrogen 3.167 N/A ILE 31.A N PRO 92.A O no hydrogen 2.862 N/A LEU 32.A N VAL 8.A O no hydrogen 2.857 N/A ASP 33.A N LEU 94.A O no hydrogen 2.932 N/A TRP 42.A N GLY 39.A O no hydrogen 3.175 N/A TRP 42.A NE1 GLN 13.A OE1 no hydrogen 3.087 N/A HIS 44.A N ALA 41.A O no hydrogen 2.981 N/A HIS 44.A NE2 GLU 35.A OE1 no hydrogen 3.108 N/A ALA 45.A N TRP 42.A O no hydrogen 3.042 N/A HIS 47.A N SER 156.A O no hydrogen 3.160 N/A SER 48.A OG GLU 181.A OE1 no hydrogen 2.610 N/A SER 48.A OG GLU 181.A OE2 no hydrogen 3.442 N/A HIS 50.A ND1 SER 48.A O no hydrogen 2.714 N/A LEU 51.A N PRO 73.A O no hydrogen 2.993 N/A TRP 57.A N PRO 54.A O no hydrogen 2.885 N/A SER 58.A N ALA 55.A O no hydrogen 2.843 N/A SER 58.A OG SER 53.A O no hydrogen 3.456 N/A SER 58.A OG PRO 54.A O no hydrogen 2.997 N/A SER 59.A OG ALA 55.A O no hydrogen 3.008 N/A ILE 60.A N TYR 81.A OH no hydrogen 3.029 N/A TRP 63.A N TYR 89.A OH no hydrogen 3.004 N/A MET 65.A N SER 59.A OG no hydrogen 2.899 N/A ALA 74.A N GLU 77.A OE1 no hydrogen 2.902 N/A ARG 75.A NE TRP 42.A O no hydrogen 3.207 N/A GLU 77.A N ALA 74.A O no hydrogen 2.890 N/A VAL 78.A N ALA 74.A O no hydrogen 3.362 N/A LEU 79.A N ARG 75.A O no hydrogen 3.181 N/A ALA 80.A N ALA 76.A O no hydrogen 2.877 N/A TYR 81.A N GLU 77.A O no hydrogen 2.919 N/A TYR 81.A OH TRP 63.A O no hydrogen 2.924 N/A LEU 82.A N VAL 78.A O no hydrogen 2.696 N/A ALA 83.A N LEU 79.A O no hydrogen 2.941 N/A GLN 84.A N ALA 80.A O no hydrogen 2.681 N/A TYR 85.A N TYR 81.A O no hydrogen 2.893 N/A TYR 85.A OH PRO 61.A O no hydrogen 2.674 N/A GLU 86.A N LEU 82.A O no hydrogen 3.292 N/A LYS 88.A N GLN 84.A O no hydrogen 2.941 N/A TYR 89.A N TYR 85.A O no hydrogen 3.211 N/A ALA 90.A N GLN 87.A O no hydrogen 2.742 N/A LEU 91.A N GLU 86.A O no hydrogen 2.830 N/A VAL 93.A N LEU 91.A O no hydrogen 2.704 N/A LEU 94.A N ILE 31.A O no hydrogen 2.810 N/A ARG 95.A NE ASP 33.A OD2 no hydrogen 2.860 N/A ARG 95.A NH1 GLU 86.A OE1 no hydrogen 2.990 N/A ARG 95.A NH1 GLU 86.A OE2 no hydrogen 3.053 N/A ARG 95.A NH2 ASP 33.A OD2 no hydrogen 3.036 N/A ARG 95.A NH2 GLU 86.A OE2 no hydrogen 2.985 N/A ILE 97.A N ASP 33.A O no hydrogen 2.907 N/A GLN 100.A N VAL 112.A O no hydrogen 2.626 N/A VAL 102.A N HIS 267.A O no hydrogen 2.925 N/A SER 103.A N ARG 110.A O no hydrogen 2.890 N/A PHE 105.A N ARG 108.A O no hydrogen 3.077 N/A ARG 108.A N PHE 105.A O no hydrogen 2.866 N/A LEU 109.A N ALA 121.A O no hydrogen 2.745 N/A ARG 110.A N SER 103.A O no hydrogen 2.830 N/A VAL 111.A N TRP 119.A O no hydrogen 2.882 N/A VAL 112.A N ARG 101.A O no hydrogen 2.949 N/A ALA 113.A N ARG 117.A O no hydrogen 2.974 N/A ARG 114.A N ARG 98.A O no hydrogen 2.987 N/A GLY 116.A N ALA 113.A O no hydrogen 2.979 N/A ARG 117.A N ASP 115.A OD1 no hydrogen 3.241 N/A ARG 117.A NH1 ASP 115.A OD1 no hydrogen 2.800 N/A TRP 119.A N VAL 111.A O no hydrogen 2.934 N/A LEU 120.A N ASP 2.A O no hydrogen 2.923 N/A ALA 121.A N LEU 109.A O no hydrogen 2.680 N/A ALA 123.A N ASP 5.A O no hydrogen 2.838 N/A VAL 124.A N SER 294.A O no hydrogen 3.023 N/A ILE 125.A N VAL 7.A O no hydrogen 2.967 N/A SER 126.A N TRP 296.A O no hydrogen 2.772 N/A SER 126.A OG HIS 267.A NE2 no hydrogen 2.876 N/A SER 126.A OG TYR 300.A OH no hydrogen 2.591 N/A ALA 127.A N ILE 9.A O no hydrogen 2.757 N/A THR 128.A N TYR 300.A OH no hydrogen 2.987 N/A THR 128.A OG1 ALA 264.A O no hydrogen 2.558 N/A THR 128.A OG1 TYR 300.A OH no hydrogen 2.556 N/A TRP 131.A NE1 ALA 153.A O no hydrogen 3.111 N/A GLU 133.A N THR 130.A O no hydrogen 3.029 N/A TYR 135.A N GLY 260.A O no hydrogen 2.695 N/A LEU 142.A N TYR 139.A O no hydrogen 3.483 N/A SER 144.A N GLY 141.A O no hydrogen 2.727 N/A SER 144.A OG GLY 141.A O no hydrogen 2.839 N/A PHE 145.A N LEU 142.A O no hydrogen 3.098 N/A ALA 146.A N PRO 239.A O no hydrogen 2.799 N/A ILE 148.A N ASP 253.A O no hydrogen 2.707 N/A LEU 150.A N VAL 255.A O no hydrogen 3.287 N/A HIS 151.A NE2 GLY 260.A O no hydrogen 2.968 N/A SER 152.A N TRP 257.A O no hydrogen 2.603 N/A ALA 153.A N HIS 151.A ND1 no hydrogen 3.001 N/A HIS 154.A N HIS 151.A O no hydrogen 2.885 N/A TYR 155.A N SER 152.A O no hydrogen 3.204 N/A TYR 155.A OH GLU 181.A OE2 no hydrogen 2.854 N/A PHE 161.A N PRO 158.A O no hydrogen 2.875 N/A ALA 162.A N ALA 159.A O no hydrogen 3.064 N/A GLY 163.A N VAL 185.A O no hydrogen 2.879 N/A MET 164.A N PHE 161.A O no hydrogen 3.034 N/A ARG 165.A N ASP 253.A OD2 no hydrogen 2.710 N/A ARG 165.A NE ALA 251.A O no hydrogen 3.438 N/A VAL 166.A N GLU 187.A O no hydrogen 2.794 N/A ALA 167.A N ALA 254.A O no hydrogen 3.088 N/A ILE 168.A N THR 189.A O no hydrogen 2.981 N/A ILE 169.A N ILE 256.A O no hydrogen 3.017 N/A GLY 170.A N ILE 191.A O no hydrogen 2.923 N/A ALA 176.A N GLY 172.A O no hydrogen 3.492 N/A GLN 177.A N ASN 173.A O no hydrogen 2.990 N/A ILE 178.A N SER 174.A O no hydrogen 2.771 N/A LEU 179.A N GLY 175.A O no hydrogen 2.686 N/A ALA 180.A N ALA 176.A O no hydrogen 2.923 N/A GLU 181.A N GLN 177.A O no hydrogen 3.210 N/A VAL 182.A N ILE 178.A O no hydrogen 2.754 N/A SER 183.A N LEU 179.A O no hydrogen 2.880 N/A SER 183.A OG LEU 179.A O no hydrogen 2.802 N/A SER 183.A OG ALA 180.A O no hydrogen 2.656 N/A THR 184.A N GLU 181.A O no hydrogen 2.909 N/A THR 184.A OG1 GLU 181.A O no hydrogen 2.622 N/A VAL 185.A N VAL 182.A O no hydrogen 2.779 N/A ALA 186.A N VAL 182.A O no hydrogen 3.041 N/A GLU 187.A N MET 164.A O no hydrogen 2.959 N/A THR 189.A N VAL 166.A O no hydrogen 2.885 N/A TRP 190.A NE1 GLY 170.A O no hydrogen 2.842 N/A ILE 191.A N ILE 168.A O no hydrogen 2.811 N/A THR 192.A N VAL 231.A O no hydrogen 3.012 N/A LEU 199.A N ILE 213.A O no hydrogen 3.143 N/A GLY 205.A N PHE 52.A O no hydrogen 2.987 N/A ARG 206.A N ASP 204.A OD1 no hydrogen 3.061 N/A ARG 206.A NE ASP 204.A OD1 no hydrogen 2.674 N/A ARG 206.A NH2 ASP 204.A OD1 no hydrogen 3.497 N/A ARG 206.A NH2 ASP 204.A OD2 no hydrogen 2.812 N/A VAL 207.A N ASP 204.A O no hydrogen 3.391 N/A LEU 208.A N GLY 205.A O no hydrogen 2.974 N/A GLU 210.A N ARG 206.A O no hydrogen 2.971 N/A ARG 211.A N LEU 208.A O no hydrogen 3.261 N/A ILE 213.A N ALA 197.A O no hydrogen 2.767 N/A VAL 214.A N ASN 173.A OD1 no hydrogen 3.150 N/A VAL 216.A N VAL 214.A O no hydrogen 2.859 N/A LEU 220.A N VAL 216.A O no hydrogen 2.950 N/A ASP 221.A N PRO 217.A O no hydrogen 2.982 N/A ALA 222.A N VAL 219.A O no hydrogen 3.127 N/A ARG 223.A N VAL 219.A O no hydrogen 2.992 N/A ARG 223.A NH2 ASP 201.A OD2 no hydrogen 2.542 N/A ALA 224.A N LEU 220.A O no hydrogen 3.111 N/A ARG 225.A N ASP 221.A O no hydrogen 3.126 N/A ARG 225.A NH1 ALA 180.A O no hydrogen 3.303 N/A ARG 225.A NH1 ASP 221.A OD2.B no hydrogen 3.564 N/A ARG 225.A NH2 ALA 180.A O no hydrogen 3.321 N/A ARG 225.A NH2 SER 183.A OG no hydrogen 2.468 N/A GLY 226.A N ARG 223.A O no hydrogen 2.984 N/A VAL 227.A N ALA 222.A O no hydrogen 3.379 N/A VAL 231.A N TRP 190.A O no hydrogen 2.751 N/A ALA 235.A N GLN 243.A O no hydrogen 2.598 N/A ARG 236.A N GLN 243.A O no hydrogen 3.237 N/A PHE 237.A N GLN 140.A O no hydrogen 2.681 N/A SER 238.A N GLY 241.A O no hydrogen 2.681 N/A GLY 241.A N SER 238.A O no hydrogen 3.133 N/A GLY 241.A N SER 238.A OG no hydrogen 3.191 N/A MET 242.A N ARG 250.A O no hydrogen 2.873 N/A GLN 243.A N ARG 236.A O no hydrogen 3.008 N/A GLN 243.A NE2 GLY 247.A O no hydrogen 3.175 N/A TRP 244.A N THR 248.A O no hydrogen 2.711 N/A TRP 244.A NE1 PRO 232.A O no hydrogen 2.774 N/A GLY 247.A N TRP 244.A O no hydrogen 2.876 N/A THR 248.A N ASP 246.A OD1 no hydrogen 3.112 N/A THR 248.A OG1 ASP 246.A OD1 no hydrogen 3.179 N/A THR 248.A OG1 ASP 246.A OD2 no hydrogen 3.147 N/A ARG 250.A N MET 242.A O no hydrogen 3.118 N/A PHE 252.A N THR 240.A O no hydrogen 2.817 N/A ASP 253.A N ARG 165.A O no hydrogen 2.844 N/A VAL 255.A N ILE 148.A O no hydrogen 2.710 N/A ILE 256.A N ALA 167.A O no hydrogen 2.868 N/A TRP 257.A N LEU 150.A O no hydrogen 2.786 N/A CYS 258.A N ILE 169.A O no hydrogen 2.621 N/A CYS 258.A SG ILE 256.A O no hydrogen 3.853 N/A THR 259.A OG1 TYR 135.A O no hydrogen 2.743 N/A ARG 262.A N GLU 133.A O no hydrogen 2.912 N/A ALA 264.A N GLY 129.A O no hydrogen 2.920 N/A HIS 267.A N HIS 267.A ND1 no hydrogen 2.813 N/A HIS 267.A NE2 SER 126.A OG no hydrogen 2.876 N/A LEU 268.A N LEU 265.A O no hydrogen 3.058 N/A LYS 269.A N SER 266.A O no hydrogen 3.376 N/A LEU 271.A N LEU 268.A O no hydrogen 3.393 N/A THR 275.A N GLN 279.A O no hydrogen 2.819 N/A GLY 278.A N THR 275.A O no hydrogen 3.284 N/A GLN 279.A N THR 275.A OG1 no hydrogen 3.004 N/A ASP 283.A N ARG 288.A O no hydrogen 2.937 N/A SER 285.A N ASP 283.A OD1 no hydrogen 2.911 N/A SER 285.A OG ASP 283.A OD1 no hydrogen 2.655 N/A GLY 286.A N ASP 283.A O no hydrogen 2.705 N/A LEU 287.A N SER 285.A OG no hydrogen 3.102 N/A ARG 288.A NE PRO 293.A O no hydrogen 2.676 N/A ARG 288.A NH2 PRO 293.A O no hydrogen 3.222 N/A ALA 289.A N VAL 295.A O no hydrogen 3.019 N/A LEU 290.A N GLU 281.A O no hydrogen 2.584 N/A VAL 295.A N VAL 292.A O no hydrogen 3.054 N/A TRP 296.A N VAL 124.A O no hydrogen 2.821 N/A TRP 296.A NE1 GLN 324.A OE1 no hydrogen 2.925 N/A LEU 297.A N LEU 287.A O no hydrogen 2.797 N/A LEU 298.A N SER 126.A O no hydrogen 3.108 N/A TYR 300.A OH SER 126.A OG no hydrogen 2.591 N/A TYR 300.A OH THR 128.A OG1 no hydrogen 2.556 N/A GLY 301.A N SER 308.A OG no hydrogen 2.942 N/A ASN 304.A N GLY 301.A O no hydrogen 2.824 N/A GLY 305.A N ASP 302.A O no hydrogen 2.832 N/A ALA 307.A N ASP 302.A OD1 no hydrogen 2.985 N/A SER 308.A N GLY 305.A O no hydrogen 3.057 N/A SER 308.A OG GLY 301.A O no hydrogen 2.748 N/A SER 308.A OG GLY 305.A O no hydrogen 3.088 N/A THR 310.A OG1 ALA 307.A O no hydrogen 3.104 N/A GLY 313.A N THR 310.A OG1 no hydrogen 3.153 N/A VAL 314.A N THR 310.A O no hydrogen 2.981 N/A ARG 316.A N GLY 313.A O no hydrogen 3.376 N/A TYR 317.A N VAL 314.A O no hydrogen 3.010 N/A TYR 317.A OH MET 306.A O no hydrogen 2.601 N/A ALA 318.A N VAL 314.A O no hydrogen 2.915 N/A ARG 319.A N THR 315.A O no hydrogen 2.939 N/A GLU 320.A N ARG 316.A O no hydrogen 2.965 N/A ALA 321.A N TYR 317.A O no hydrogen 2.727 N/A VAL 322.A N ALA 318.A O no hydrogen 3.045 N/A ARG 323.A N ARG 319.A O no hydrogen 2.879 N/A ARG 323.A NH1 GLU 320.A OE1 no hydrogen 3.446 N/A GLN 324.A N GLU 320.A O no hydrogen 2.968 N/A GLN 324.A NE2 SER 285.A OG no hydrogen 3.173 N/A GLN 324.A NE2 GLU 320.A OE2 no hydrogen 2.829 N/A VAL 325.A N ALA 321.A O no hydrogen 2.937 N/A THR 326.A N VAL 322.A O no hydrogen 2.655 N/A THR 326.A OG1 VAL 322.A O no hydrogen 2.673 N/A ALA 327.A N ARG 323.A O no hydrogen 3.055 N/A TYR 328.A N GLN 324.A O no hydrogen 2.984 N/A CYS 329.A N VAL 325.A O no hydrogen 3.166 N/A CYS 329.A SG VAL 325.A O no hydrogen 3.534 N/A