Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k3g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N ALA 2.A O no hydrogen 3.131 N/A GLN 6.A N PHE 3.A O no hydrogen 3.371 N/A LEU 7.A N GLY 4.A O no hydrogen 2.918 N/A LEU 8.A N GLU 5.A O no hydrogen 2.979 N/A LYS 9.A N GLN 6.A O no hydrogen 3.457 N/A LYS 9.A NZ GLN 6.A OE1 no hydrogen 3.167 N/A LEU 12.A N ASN 10.A OD1 no hydrogen 3.085 N/A ILE 13.A N ASN 10.A OD1 no hydrogen 3.128 N/A GLU 14.A N ASN 10.A O no hydrogen 2.969 N/A PHE 15.A N PRO 11.A O no hydrogen 2.879 N/A CYS 16.A N LEU 12.A O no hydrogen 3.048 N/A ASP 17.A N ILE 13.A O no hydrogen 3.085 N/A ASP 17.A N GLU 14.A O no hydrogen 3.271 N/A SER 18.A N GLU 14.A O no hydrogen 2.924 N/A SER 18.A OG GLU 14.A O no hydrogen 3.076 N/A VAL 19.A N PHE 15.A O no hydrogen 2.914 N/A CYS 20.A N CYS 16.A O no hydrogen 3.206 N/A CYS 20.A SG CYS 16.A O no hydrogen 3.697 N/A ARG 21.A N ASP 17.A O no hydrogen 3.075 N/A ARG 21.A NH1 ARG 75.A O no hydrogen 3.413 N/A GLY 22.A N SER 18.A O no hydrogen 2.791 N/A CYS 23.A N VAL 19.A O no hydrogen 3.001 N/A CYS 23.A SG GLY 35.A O no hydrogen 3.623 N/A GLY 24.A N CYS 20.A O no hydrogen 3.002 N/A GLN 25.A N ARG 21.A O no hydrogen 2.794 N/A GLN 25.A NE2 ALA 76.A O no hydrogen 2.732 N/A VAL 26.A N CYS 23.A O no hydrogen 3.130 N/A MET 27.A N GLY 24.A O no hydrogen 3.045 N/A PHE 28.A N GLN 25.A O no hydrogen 2.983 N/A GLN 29.A N GLY 24.A O no hydrogen 3.054 N/A GLN 29.A NE2 MET 27.A O no hydrogen 2.894 N/A ASN 31.A N GLN 29.A O no hydrogen 2.892 N/A ASN 31.A ND2 ASN 204.A OD1 no hydrogen 2.913 N/A THR 32.A OG1 ASP 17.A OD1 no hydrogen 2.691 N/A VAL 33.A N ASN 31.A OD1 no hydrogen 3.027 N/A THR 34.A N ASN 31.A OD1 no hydrogen 3.281 N/A THR 34.A OG1 ALA 200.A O no hydrogen 2.778 N/A GLY 35.A N ASN 31.A O no hydrogen 3.104 N/A LEU 36.A N THR 32.A O no hydrogen 2.747 N/A LEU 37.A N VAL 33.A O no hydrogen 2.751 N/A PHE 38.A N THR 34.A O no hydrogen 2.834 N/A PHE 39.A N GLY 35.A O no hydrogen 2.944 N/A ALA 40.A N LEU 36.A O no hydrogen 3.049 N/A GLY 41.A N LEU 37.A O no hydrogen 2.937 N/A ILE 42.A N PHE 38.A O no hydrogen 3.010 N/A PHE 43.A N PHE 39.A O no hydrogen 2.833 N/A TYR 44.A N ALA 40.A O no hydrogen 2.882 N/A ASN 45.A N GLY 41.A O no hydrogen 3.258 N/A ASN 45.A ND2 GLN 188.A OE1 no hydrogen 2.811 N/A SER 46.A N ILE 42.A O no hydrogen 2.757 N/A LEU 49.A N SER 46.A OG no hydrogen 3.056 N/A GLY 50.A N SER 46.A O no hydrogen 3.042 N/A VAL 51.A N THR 47.A O no hydrogen 2.948 N/A CYS 52.A N THR 48.A O no hydrogen 3.143 N/A ALA 53.A N LEU 49.A O no hydrogen 2.796 N/A VAL 54.A N GLY 50.A O no hydrogen 3.089 N/A LEU 55.A N VAL 51.A O no hydrogen 2.879 N/A GLY 56.A N CYS 52.A O no hydrogen 2.999 N/A THR 57.A N ALA 53.A O no hydrogen 2.887 N/A THR 57.A OG1 ALA 53.A O no hydrogen 2.639 N/A THR 57.A OG1 THR 84.A OG1 no hydrogen 2.797 N/A ALA 58.A N VAL 54.A O no hydrogen 2.774 N/A ALA 59.A N LEU 55.A O no hydrogen 2.660 N/A SER 60.A N GLY 56.A O no hydrogen 3.056 N/A SER 60.A OG GLY 56.A O no hydrogen 3.353 N/A SER 60.A OG THR 57.A O no hydrogen 3.210 N/A SER 60.A OG PHE 79.A O no hydrogen 2.725 N/A THR 61.A N THR 57.A O no hydrogen 3.011 N/A THR 61.A OG1 THR 57.A O no hydrogen 2.750 N/A LEU 62.A N ALA 58.A O no hydrogen 3.042 N/A THR 63.A N ALA 59.A O no hydrogen 3.159 N/A THR 63.A OG1 ALA 59.A O no hydrogen 2.665 N/A ALA 64.A N SER 60.A O no hydrogen 3.117 N/A GLN 65.A N THR 61.A O no hydrogen 3.037 N/A LEU 66.A N LEU 62.A O no hydrogen 2.711 N/A LEU 67.A N THR 63.A O no hydrogen 2.859 N/A GLY 68.A N GLN 65.A O no hydrogen 3.100 N/A VAL 69.A N ALA 64.A O no hydrogen 2.862 N/A LEU 73.A N ASP 70.A O no hydrogen 3.120 N/A VAL 74.A N ASP 70.A O no hydrogen 3.350 N/A ARG 75.A N LYS 71.A O no hydrogen 2.695 N/A ALA 76.A N PRO 72.A O no hydrogen 3.106 N/A GLY 77.A N VAL 74.A O no hydrogen 2.925 N/A LEU 78.A N LEU 73.A O no hydrogen 3.277 N/A GLY 80.A N GLY 77.A O no hydrogen 3.082 N/A ASN 82.A ND2 LEU 130.A O no hydrogen 3.448 N/A THR 84.A N GLY 80.A O no hydrogen 2.942 N/A THR 84.A OG1 THR 57.A OG1 no hydrogen 2.797 N/A THR 84.A OG1 GLY 80.A O no hydrogen 3.286 N/A LEU 85.A N PHE 81.A O no hydrogen 3.218 N/A ALA 86.A N ASN 82.A O no hydrogen 2.922 N/A GLY 87.A N GLY 83.A O no hydrogen 2.997 N/A ILE 88.A N THR 84.A O no hydrogen 3.185 N/A ALA 89.A N LEU 85.A O no hydrogen 2.904 N/A PHE 92.A N ILE 88.A O no hydrogen 3.208 N/A PHE 93.A N ALA 89.A O no hydrogen 3.103 N/A PHE 94.A N LEU 90.A O no hydrogen 2.853 N/A ASN 95.A N HIS 152.A O no hydrogen 2.924 N/A MET 100.A N GLU 97.A O no hydrogen 2.754 N/A TYR 103.A N ALA 99.A O no hydrogen 2.953 N/A TYR 103.A OH LEU 141.A O no hydrogen 2.717 N/A VAL 104.A N MET 100.A O no hydrogen 2.888 N/A ALA 105.A N LEU 101.A O no hydrogen 3.092 N/A LEU 106.A N GLY 102.A O no hydrogen 2.924 N/A ASN 107.A N TYR 103.A O no hydrogen 2.793 N/A ASN 107.A ND2 ALA 86.A O no hydrogen 3.319 N/A ASN 107.A ND2 THR 138.A OG1 no hydrogen 2.948 N/A GLY 108.A N VAL 104.A O no hydrogen 2.748 N/A ALA 109.A N ALA 105.A O no hydrogen 2.855 N/A PHE 110.A N LEU 106.A O no hydrogen 2.917 N/A THR 111.A N ASN 107.A O no hydrogen 3.081 N/A THR 111.A OG1 GLY 108.A O no hydrogen 2.685 N/A THR 112.A N ALA 109.A O no hydrogen 3.224 N/A THR 112.A OG1 SER 60.A O no hydrogen 2.631 N/A ILE 114.A N PHE 110.A O no hydrogen 3.174 N/A MET 115.A N THR 111.A O no hydrogen 2.765 N/A ALA 116.A N THR 112.A O no hydrogen 3.144 N/A SER 117.A N ILE 113.A O no hydrogen 2.875 N/A SER 117.A OG ILE 113.A O no hydrogen 3.017 N/A LEU 118.A N ILE 114.A O no hydrogen 2.829 N/A LEU 119.A N MET 115.A O no hydrogen 2.810 N/A ASN 120.A N ALA 116.A O no hydrogen 2.981 N/A PHE 121.A N SER 117.A O no hydrogen 2.874 N/A LEU 122.A N LEU 118.A O no hydrogen 2.768 N/A LYS 124.A NZ ASN 120.A O no hydrogen 3.296 N/A TRP 125.A N LEU 122.A O no hydrogen 3.077 N/A GLY 126.A N GLY 123.A O no hydrogen 3.196 N/A VAL 127.A N LEU 122.A O no hydrogen 3.293 N/A THR 131.A OG1 THR 291.A OG1 no hydrogen 2.764 N/A ALA 132.A N ALA 129.A O no hydrogen 3.322 N/A PHE 134.A N ASN 82.A OD1 no hydrogen 2.985 N/A VAL 135.A N THR 131.A O no hydrogen 3.006 N/A LEU 136.A N ALA 132.A O no hydrogen 2.903 N/A ALA 137.A N PRO 133.A O no hydrogen 3.079 N/A THR 138.A N PHE 134.A O no hydrogen 3.065 N/A THR 138.A OG1 PHE 134.A O no hydrogen 2.657 N/A TRP 139.A N VAL 135.A O no hydrogen 2.924 N/A TRP 139.A NE1 PRO 288.A O no hydrogen 3.033 N/A LEU 140.A N LEU 136.A O no hydrogen 3.054 N/A LEU 141.A N ALA 137.A O no hydrogen 2.874 N/A MET 142.A N THR 138.A O no hydrogen 2.699 N/A MET 142.A N TRP 139.A O no hydrogen 3.246 N/A PHE 143.A N TRP 139.A O no hydrogen 2.813 N/A VAL 145.A N MET 142.A O no hydrogen 3.088 N/A TYR 146.A OH ILE 285.A O no hydrogen 2.725 N/A LYS 147.A N GLY 144.A O no hydrogen 2.908 N/A LEU 148.A N GLY 144.A O no hydrogen 2.947 N/A GLY 154.A N PHE 93.A O no hydrogen 2.772 N/A ILE 157.A N GLY 154.A O no hydrogen 3.084 N/A ALA 160.A N SER 283.A O no hydrogen 2.994 N/A THR 170.A N THR 173.A OG1 no hydrogen 2.860 N/A THR 173.A OG1 THR 170.A O no hydrogen 3.178 N/A THR 173.A OG1 GLU 230.A OE2 no hydrogen 2.678 N/A PHE 174.A N GLY 171.A O no hydrogen 3.059 N/A MET 175.A N GLY 171.A O no hydrogen 3.135 N/A GLU 176.A N ARG 172.A O no hydrogen 2.921 N/A GLY 177.A N THR 173.A O no hydrogen 3.077 N/A LEU 178.A N PHE 174.A O no hydrogen 2.950 N/A PHE 179.A N MET 175.A O no hydrogen 3.456 N/A LYS 180.A N GLU 176.A O no hydrogen 2.905 N/A LYS 180.A NZ GLU 176.A OE1 no hydrogen 2.962 N/A LYS 180.A NZ ASP 189.A OD2 no hydrogen 2.841 N/A GLY 181.A N GLY 177.A O no hydrogen 2.953 N/A GLY 183.A N PHE 179.A O no hydrogen 2.890 N/A GLU 184.A N LYS 180.A O no hydrogen 2.645 N/A VAL 185.A N VAL 182.A O no hydrogen 3.081 N/A MET 186.A N GLY 183.A O no hydrogen 3.096 N/A PHE 187.A N GLU 184.A O no hydrogen 3.043 N/A GLN 188.A N GLY 183.A O no hydrogen 2.887 N/A GLN 188.A NE2 MET 186.A O no hydrogen 2.791 N/A ASN 190.A N GLN 188.A O no hydrogen 2.869 N/A ASN 190.A ND2 ASN 45.A OD1 no hydrogen 3.206 N/A THR 193.A N ASN 190.A OD1 no hydrogen 3.049 N/A THR 193.A OG1 GLY 41.A O no hydrogen 2.903 N/A GLY 194.A N ASN 190.A O no hydrogen 3.101 N/A VAL 195.A N ILE 191.A O no hydrogen 2.982 N/A ILE 196.A N VAL 192.A O no hydrogen 2.804 N/A PHE 197.A N THR 193.A O no hydrogen 2.835 N/A VAL 198.A N GLY 194.A O no hydrogen 2.973 N/A VAL 199.A N VAL 195.A O no hydrogen 2.881 N/A ALA 200.A N ILE 196.A O no hydrogen 2.757 N/A ILE 201.A N PHE 197.A O no hydrogen 3.069 N/A LEU 202.A N VAL 198.A O no hydrogen 2.948 N/A VAL 203.A N VAL 199.A O no hydrogen 3.069 N/A ASN 204.A N ILE 201.A O no hydrogen 3.032 N/A ASN 204.A ND2 GLN 29.A OE1 no hydrogen 2.870 N/A SER 205.A N ILE 201.A O no hydrogen 2.801 N/A SER 205.A OG GLU 323.A OE1 no hydrogen 2.627 N/A SER 205.A OG GLU 323.A OE2 no hydrogen 3.324 N/A ILE 207.A N GLU 323.A OE2 no hydrogen 3.001 N/A SER 208.A N SER 205.A OG no hydrogen 3.146 N/A ALA 209.A N SER 205.A O no hydrogen 3.138 N/A LEU 210.A N ARG 206.A O no hydrogen 3.003 N/A PHE 211.A N ILE 207.A O no hydrogen 2.997 N/A ALA 212.A N SER 208.A O no hydrogen 3.050 N/A VAL 213.A N ALA 209.A O no hydrogen 3.208 N/A ILE 214.A N LEU 210.A O no hydrogen 2.784 N/A GLY 215.A N PHE 211.A O no hydrogen 2.768 N/A SER 216.A N ALA 212.A O no hydrogen 3.161 N/A SER 216.A OG LEU 178.A O no hydrogen 2.619 N/A LEU 217.A N VAL 213.A O no hydrogen 3.111 N/A VAL 218.A N ILE 214.A O no hydrogen 2.753 N/A GLY 219.A N GLY 215.A O no hydrogen 2.860 N/A LEU 220.A N SER 216.A O no hydrogen 2.996 N/A CYS 221.A N LEU 217.A O no hydrogen 2.929 N/A THR 222.A N VAL 218.A O no hydrogen 2.835 N/A THR 222.A OG1 VAL 218.A O no hydrogen 2.665 N/A ALA 223.A N GLY 219.A O no hydrogen 3.065 N/A LEU 224.A N LEU 220.A O no hydrogen 3.119 N/A ILE 225.A N CYS 221.A O no hydrogen 2.766 N/A MET 226.A N THR 222.A O no hydrogen 2.867 N/A HIS 227.A N LEU 224.A O no hydrogen 2.919 N/A SER 228.A N ALA 223.A O no hydrogen 2.904 N/A SER 228.A OG PRO 229.A O no hydrogen 2.826 N/A GLU 230.A N MET 166.A O no hydrogen 3.009 N/A ARG 234.A N GLU 230.A O no hydrogen 2.865 N/A ARG 234.A NE GLU 230.A OE2 no hydrogen 2.517 N/A LEU 235.A N THR 231.A O no hydrogen 3.030 N/A GLY 236.A N VAL 233.A O no hydrogen 3.033 N/A LEU 237.A N PRO 232.A O no hydrogen 3.059 N/A GLY 239.A N GLY 236.A O no hydrogen 3.153 N/A ASN 241.A ND2 LEU 290.A O no hydrogen 3.545 N/A SER 242.A OG MET 268.A O no hydrogen 2.646 N/A VAL 243.A N GLY 239.A O no hydrogen 2.734 N/A LEU 244.A N PHE 240.A O no hydrogen 3.264 N/A CYS 245.A N ASN 241.A O no hydrogen 2.955 N/A CYS 245.A SG CYS 267.A O no hydrogen 3.300 N/A CYS 245.A SG THR 298.A OG1 no hydrogen 3.150 N/A GLY 246.A N SER 242.A O no hydrogen 2.818 N/A ILE 247.A N VAL 243.A O no hydrogen 3.025 N/A ALA 248.A N LEU 244.A O no hydrogen 3.008 N/A MET 249.A N CYS 245.A O no hydrogen 2.881 N/A GLY 250.A N GLY 246.A O no hydrogen 2.685 N/A GLY 251.A N MET 249.A O no hydrogen 2.902 N/A PHE 253.A N ALA 248.A O no hydrogen 3.165 N/A TYR 255.A N ALA 312.A O no hydrogen 3.021 N/A ASN 257.A N THR 260.A OG1 no hydrogen 2.802 N/A ARG 259.A NE ASN 310.A O no hydrogen 3.403 N/A THR 260.A N ASN 257.A OD1 no hydrogen 2.968 N/A THR 260.A OG1 TYR 255.A O no hydrogen 2.643 N/A THR 260.A OG1 ASN 257.A O no hydrogen 3.061 N/A PHE 261.A N ASN 257.A O no hydrogen 2.811 N/A LEU 262.A N ILE 258.A O no hydrogen 3.061 N/A TYR 263.A N ARG 259.A O no hydrogen 2.934 N/A TYR 263.A OH PHE 301.A O no hydrogen 2.759 N/A ALA 264.A N THR 260.A O no hydrogen 2.829 N/A LEU 265.A N PHE 261.A O no hydrogen 2.921 N/A GLY 266.A N LEU 262.A O no hydrogen 3.015 N/A CYS 267.A N TYR 263.A O no hydrogen 3.200 N/A CYS 267.A SG THR 298.A OG1 no hydrogen 3.095 N/A MET 268.A N ALA 264.A O no hydrogen 3.026 N/A VAL 269.A N LEU 265.A O no hydrogen 3.049 N/A LEU 270.A N GLY 266.A O no hydrogen 3.133 N/A GLY 271.A N CYS 267.A O no hydrogen 2.749 N/A ALA 272.A N MET 268.A O no hydrogen 3.306 N/A ALA 272.A N VAL 269.A O no hydrogen 3.105 N/A ILE 273.A N VAL 269.A O no hydrogen 3.183 N/A ALA 274.A N LEU 270.A O no hydrogen 2.777 N/A THR 275.A N GLY 271.A O no hydrogen 3.099 N/A THR 275.A N ALA 272.A O no hydrogen 3.174 N/A THR 275.A OG1 GLY 271.A O no hydrogen 2.781 N/A ALA 277.A N ILE 273.A O no hydrogen 3.165 N/A PHE 278.A N ALA 274.A O no hydrogen 2.881 N/A SER 279.A N THR 275.A O no hydrogen 3.208 N/A VAL 280.A N GLY 276.A O no hydrogen 3.086 N/A LEU 281.A N ALA 277.A O no hydrogen 2.965 N/A LEU 282.A N PHE 278.A O no hydrogen 3.130 N/A SER 283.A N VAL 280.A O no hydrogen 3.053 N/A SER 283.A OG VAL 280.A O no hydrogen 2.743 N/A ILE 285.A N LEU 282.A O no hydrogen 3.196 N/A GLY 286.A N SER 283.A O no hydrogen 2.866 N/A MET 287.A N LEU 282.A O no hydrogen 3.221 N/A THR 291.A OG1 THR 131.A OG1 no hydrogen 2.764 N/A TRP 292.A N ALA 289.A O no hydrogen 3.053 N/A PHE 294.A N ASN 241.A OD1 no hydrogen 3.065 N/A ILE 295.A N THR 291.A O no hydrogen 2.999 N/A VAL 296.A N TRP 292.A O no hydrogen 2.925 N/A VAL 297.A N PRO 293.A O no hydrogen 3.162 N/A THR 298.A N PHE 294.A O no hydrogen 2.883 N/A THR 298.A OG1 PHE 294.A O no hydrogen 2.732 N/A TRP 299.A N ILE 295.A O no hydrogen 2.875 N/A TRP 299.A NE1 PRO 128.A O no hydrogen 2.919 N/A LEU 300.A N VAL 296.A O no hydrogen 2.985 N/A PHE 301.A N VAL 297.A O no hydrogen 3.107 N/A LEU 302.A N THR 298.A O no hydrogen 2.776 N/A PHE 303.A N TRP 299.A O no hydrogen 2.831 N/A ALA 304.A N LEU 300.A O no hydrogen 3.020 N/A GLY 305.A N LEU 302.A O no hydrogen 3.374 N/A MET 307.A N ALA 304.A O no hydrogen 3.054 N/A PHE 308.A N GLY 305.A O no hydrogen 3.144 N/A ILE 311.A N PHE 308.A O no hydrogen 3.095 N/A GLN 313.A NE2 LEU 302.A O no hydrogen 2.791 N/A VAL 314.A N PHE 253.A O no hydrogen 2.822 N/A THR 316.A OG1 GLY 126.A O no hydrogen 2.492 N/A LYS 318.A N PRO 315.A O no hydrogen 2.941 N/A ALA 319.A N PRO 315.A O no hydrogen 3.027 N/A ALA 319.A N THR 316.A O no hydrogen 3.208 N/A GLY 320.A N ASN 325.A OD1 no hydrogen 3.143 N/A THR 321.A OG1 ASP 324.A OD2 no hydrogen 2.592 N/A GLU 323.A N GLU 323.A OE1 no hydrogen 2.735 N/A ASP 324.A N THR 321.A OG1 no hydrogen 3.076 N/A ASN 325.A N THR 321.A O no hydrogen 2.864 N/A ASN 325.A ND2 GLY 251.A O no hydrogen 2.769 N/A ASN 325.A ND2 ILE 252.A O no hydrogen 2.952 N/A LEU 326.A N PRO 322.A O no hydrogen 3.121 N/A ARG 327.A N GLU 323.A O no hydrogen 3.156 N/A SER 328.A N ASP 324.A O no hydrogen 3.027 N/A SER 328.A OG ASP 324.A O no hydrogen 3.263 N/A SER 328.A OG ASN 325.A O no hydrogen 3.038 N/A LEU 329.A N ASN 325.A O no hydrogen 3.192 N/A ALA 330.A N LEU 326.A O no hydrogen 3.116 N/A