Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cc9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A NH1 ASN 253.A OD1 no hydrogen 2.793 N/A PHE 5.A N ARG 1.A O no hydrogen 3.026 N/A SER 6.A N LEU 3.A O no hydrogen 3.409 N/A SER 6.A OG HIS 2.A O no hydrogen 2.935 N/A SER 6.A OG LEU 3.A O no hydrogen 2.842 N/A ARG 7.A N ILE 4.A O no hydrogen 3.432 N/A ARG 9.A N GLU 303.A O no hydrogen 3.110 N/A ARG 9.A NH1 GLU 303.A OE1 no hydrogen 2.807 N/A ILE 11.A N LEU 301.A O no hydrogen 2.891 N/A PHE 14.A N CYS 299.A O no hydrogen 2.875 N/A ARG 15.A NH1 ASP 296.A OD1 no hydrogen 3.444 N/A ARG 15.A NH2 ASP 296.A OD2 no hydrogen 2.683 N/A GLU 16.A N SER 22.A OG no hydrogen 3.084 N/A GLU 19.A N GLU 16.A O no hydrogen 3.354 N/A SER 22.A N ASP 296.A OD1 no hydrogen 2.842 N/A SER 22.A OG THR 297.A O no hydrogen 2.891 N/A GLY 23.A N GLU 16.A OE1 no hydrogen 2.917 N/A PHE 24.A N THR 297.A O no hydrogen 3.379 N/A THR 25.A N GLY 39.A O no hydrogen 2.929 N/A THR 25.A OG1 ILE 66.A O no hydrogen 2.711 N/A CYS 26.A SG ASP 271.A OD2 no hydrogen 3.489 N/A CYS 27.A N ASP 271.A OD2 no hydrogen 3.114 N/A CYS 27.A SG ASP 271.A OD2 no hydrogen 3.884 N/A CYS 27.A SG ALA 282.A O no hydrogen 4.049 N/A ALA 28.A N MET 37.A O no hydrogen 2.921 N/A SER 30.A N PHE 35.A O no hydrogen 2.955 N/A SER 30.A OG PHE 35.A O no hydrogen 3.191 N/A GLU 33.A N SER 30.A O no hydrogen 2.992 N/A PHE 35.A N SER 30.A OG no hydrogen 3.122 N/A LEU 36.A N TYR 48.A O no hydrogen 2.924 N/A MET 37.A N ALA 28.A O no hydrogen 2.685 N/A LEU 38.A N LYS 46.A O no hydrogen 2.954 N/A GLY 39.A N CYS 26.A O no hydrogen 2.808 N/A THR 40.A N GLN 44.A O no hydrogen 2.990 N/A THR 40.A OG1 THR 42.A OG1 no hydrogen 3.409 N/A THR 40.A OG1 GLN 44.A O no hydrogen 3.436 N/A CYS 41.A N GLY 23.A O no hydrogen 2.845 N/A THR 42.A N THR 40.A OG1 no hydrogen 3.346 N/A THR 42.A OG1 THR 40.A OG1 no hydrogen 3.409 N/A GLY 43.A N THR 40.A O no hydrogen 3.103 N/A GLN 44.A N THR 40.A OG1 no hydrogen 3.244 N/A GLN 44.A NE2 ASN 60.A OD1 no hydrogen 2.940 N/A LEU 45.A N TYR 59.A O no hydrogen 2.992 N/A LYS 46.A N LEU 38.A O no hydrogen 2.767 N/A LYS 46.A NZ GLU 16.A OE2 no hydrogen 2.927 N/A LEU 47.A N ALA 57.A O no hydrogen 3.047 N/A TYR 48.A N LEU 36.A O no hydrogen 3.000 N/A ASN 49.A N GLN 54.A O no hydrogen 2.836 N/A VAL 50.A N ARG 34.A O no hydrogen 3.050 N/A SER 52.A N ASN 49.A OD1 no hydrogen 2.833 N/A GLY 53.A N ASN 49.A O no hydrogen 2.702 N/A GLN 54.A N SER 52.A OG no hydrogen 3.197 N/A GLU 56.A N LEU 47.A O no hydrogen 2.801 N/A TYR 59.A N LEU 45.A O no hydrogen 2.928 N/A CYS 61.A N GLY 43.A O no hydrogen 3.128 N/A HIS 62.A N GLY 43.A O no hydrogen 3.013 N/A HIS 62.A ND1 PRO 87.A O no hydrogen 3.049 N/A HIS 62.A NE2 THR 80.A OG1 no hydrogen 2.770 N/A ASN 63.A N SER 85.A OG no hydrogen 3.308 N/A SER 64.A OG SER 85.A OG no hydrogen 2.834 N/A ILE 66.A N THR 40.A O no hydrogen 3.336 N/A THR 67.A N SER 81.A O no hydrogen 2.950 N/A THR 67.A OG1 ALA 82.A O no hydrogen 2.983 N/A GLU 70.A N LEU 79.A O no hydrogen 3.095 N/A SER 72.A N LEU 77.A O no hydrogen 2.808 N/A SER 72.A OG ASP 74.A OD1 no hydrogen 2.627 N/A SER 72.A OG LEU 77.A O no hydrogen 3.394 N/A ARG 73.A N GLN 117.A OE1 no hydrogen 2.745 N/A ARG 73.A NH2 HIS 115.A O no hydrogen 3.084 N/A GLY 75.A N SER 72.A O no hydrogen 3.072 N/A GLY 75.A N SER 72.A OG no hydrogen 3.266 N/A SER 76.A N ASP 74.A OD1 no hydrogen 2.881 N/A SER 76.A OG ASP 74.A OD1 no hydrogen 2.799 N/A SER 76.A OG ASP 74.A OD2 no hydrogen 3.344 N/A LEU 77.A N SER 72.A OG no hydrogen 3.089 N/A LEU 78.A N TRP 92.A O no hydrogen 3.057 N/A LEU 79.A N GLU 70.A O no hydrogen 2.974 N/A THR 80.A N ALA 90.A O no hydrogen 3.200 N/A THR 80.A OG1 HIS 62.A NE2 no hydrogen 2.770 N/A SER 81.A N HIS 68.A O no hydrogen 3.147 N/A SER 81.A OG SER 89.A OG no hydrogen 2.750 N/A ALA 82.A N LEU 88.A O no hydrogen 2.686 N/A THR 83.A N SER 64.A OG no hydrogen 3.190 N/A THR 83.A OG1 ALA 65.A O no hydrogen 2.768 N/A TRP 84.A N SER 64.A OG no hydrogen 3.282 N/A SER 85.A N SER 64.A OG no hydrogen 3.335 N/A SER 85.A OG SER 64.A OG no hydrogen 2.834 N/A GLN 86.A NE2 THR 105.A O no hydrogen 3.544 N/A GLN 86.A NE2 THR 105.A OG1 no hydrogen 2.347 N/A LEU 88.A N THR 105.A O no hydrogen 3.300 N/A SER 89.A OG THR 80.A O no hydrogen 3.549 N/A SER 89.A OG SER 81.A OG no hydrogen 2.750 N/A SER 89.A OG ASP 107.A O no hydrogen 2.621 N/A ALA 90.A N THR 80.A O no hydrogen 3.133 N/A LEU 91.A N HIS 102.A O no hydrogen 3.004 N/A TRP 92.A N LEU 78.A O no hydrogen 2.841 N/A TRP 92.A NE1 THR 80.A OG1 no hydrogen 2.901 N/A GLY 93.A N ASP 99.A O no hydrogen 2.783 N/A MET 94.A N SER 76.A O no hydrogen 2.972 N/A ASP 99.A N GLY 93.A O no hydrogen 3.445 N/A LYS 101.A N LEU 91.A O no hydrogen 2.779 N/A LYS 101.A NZ ASP 99.A OD1 no hydrogen 3.016 N/A LYS 101.A NZ ASP 99.A OD2 no hydrogen 2.398 N/A HIS 102.A N LEU 91.A O no hydrogen 3.457 N/A PHE 104.A N SER 89.A O no hydrogen 2.983 N/A ASP 107.A N PHE 104.A O no hydrogen 3.116 N/A HIS 108.A N THR 123.A O no hydrogen 2.952 N/A TYR 109.A OH GLU 111.A OE2 no hydrogen 2.967 N/A GLU 111.A N ILE 121.A O no hydrogen 3.004 N/A PHE 112.A N GLU 70.A OE1 no hydrogen 3.026 N/A SER 113.A N ARG 119.A O no hydrogen 2.926 N/A SER 113.A OG SER 116.A O no hydrogen 2.607 N/A SER 113.A OG ARG 119.A O no hydrogen 3.324 N/A LYS 114.A N ASP 162.A OD1 no hydrogen 2.796 N/A LYS 114.A NZ GLU 111.A OE1 no hydrogen 3.354 N/A LYS 114.A NZ PHE 158.A O no hydrogen 3.146 N/A HIS 115.A N ASP 162.A OD1 no hydrogen 3.191 N/A HIS 115.A N ASP 162.A OD2 no hydrogen 2.979 N/A SER 116.A OG ASP 118.A OD1 no hydrogen 2.948 N/A GLN 117.A NE2 SER 113.A O no hydrogen 3.474 N/A ARG 119.A N SER 113.A OG no hydrogen 3.300 N/A VAL 120.A N TYR 131.A O no hydrogen 3.034 N/A ILE 121.A N GLU 111.A O no hydrogen 2.825 N/A GLY 122.A N HIS 129.A O no hydrogen 2.692 N/A THR 123.A N TYR 109.A O no hydrogen 2.961 N/A LYS 124.A N ILE 127.A O no hydrogen 2.786 N/A LYS 124.A NZ GLU 106.A OE1 no hydrogen 2.763 N/A ILE 127.A N LYS 124.A O no hydrogen 2.825 N/A ALA 128.A N LEU 142.A O no hydrogen 3.200 N/A HIS 129.A N GLY 122.A O no hydrogen 2.865 N/A ILE 130.A N LEU 140.A O no hydrogen 2.970 N/A TYR 131.A N VAL 120.A O no hydrogen 2.778 N/A TYR 131.A OH ASP 107.A OD2 no hydrogen 2.655 N/A ASP 132.A N ASN 137.A O no hydrogen 3.091 N/A ILE 133.A N ASP 118.A O no hydrogen 3.151 N/A THR 135.A N ASP 132.A OD2 no hydrogen 2.742 N/A THR 135.A OG1 ASP 132.A OD2 no hydrogen 2.803 N/A THR 135.A OG1 ASN 137.A OD1 no hydrogen 3.267 N/A GLY 136.A N ASP 132.A O no hydrogen 2.813 N/A ASN 137.A N THR 135.A OG1 no hydrogen 2.814 N/A LEU 139.A N ILE 130.A O no hydrogen 2.803 N/A LEU 142.A N ALA 128.A O no hydrogen 2.900 N/A ASP 146.A N ASN 144.A OD1 no hydrogen 3.127 N/A LEU 147.A N ASN 144.A O no hydrogen 3.048 N/A ASN 149.A N ASP 168.A OD2 no hydrogen 2.879 N/A ASN 149.A ND2 ASP 168.A O no hydrogen 2.978 N/A ASN 150.A N ASP 168.A OD2 no hydrogen 2.807 N/A ASN 150.A ND2 ASP 126.A OD2 no hydrogen 2.552 N/A TYR 151.A N ASP 168.A OD1 no hydrogen 2.899 N/A LYS 152.A N MET 188.A O no hydrogen 2.998 N/A ARG 153.A N ASN 189.A O no hydrogen 3.011 N/A ARG 153.A NH1 LEU 241.A O no hydrogen 3.545 N/A ARG 153.A NH2 LEU 241.A O no hydrogen 3.203 N/A ASN 154.A ND2 GLY 125.A O no hydrogen 3.248 N/A ASN 154.A ND2 ASN 167.A OD1 no hydrogen 2.901 N/A CYS 155.A N SER 191.A OG no hydrogen 3.197 N/A CYS 155.A SG ARG 153.A O no hydrogen 3.673 N/A CYS 155.A SG ASN 154.A O no hydrogen 3.360 N/A ALA 156.A N THR 123.A OG1 no hydrogen 3.008 N/A THR 157.A N LEU 166.A O no hydrogen 3.098 N/A THR 157.A OG1 GLU 111.A OE1 no hydrogen 2.945 N/A THR 157.A OG1 GLU 111.A OE2 no hydrogen 3.476 N/A THR 157.A OG1 PHE 158.A O no hydrogen 3.169 N/A ASN 159.A N LEU 164.A O no hydrogen 3.145 N/A ASN 159.A ND2 THR 161.A OG1 no hydrogen 3.223 N/A ASP 162.A N ASN 159.A O no hydrogen 3.030 N/A LEU 164.A N ASN 159.A OD1 no hydrogen 2.956 N/A VAL 165.A N TRP 172.A O no hydrogen 3.019 N/A LEU 166.A N THR 157.A O no hydrogen 2.994 N/A ASN 167.A N VAL 170.A O no hydrogen 3.095 N/A ASN 167.A ND2 ASP 126.A O no hydrogen 3.179 N/A ASP 168.A N ASN 154.A OD1 no hydrogen 2.746 N/A VAL 170.A N ASN 167.A O no hydrogen 2.961 N/A LEU 171.A N HIS 181.A O no hydrogen 2.900 N/A TRP 172.A N VAL 165.A O no hydrogen 2.741 N/A ASP 173.A N GLN 178.A O no hydrogen 2.936 N/A VAL 174.A N ASP 163.A O no hydrogen 3.280 N/A ARG 175.A NE ASP 163.A OD1 no hydrogen 3.201 N/A ARG 175.A NH2 ASP 163.A OD1 no hydrogen 3.109 N/A SER 176.A N ASP 173.A OD2 no hydrogen 3.164 N/A SER 176.A OG ASP 173.A OD2 no hydrogen 3.150 N/A ALA 177.A N VAL 174.A O no hydrogen 3.118 N/A GLN 178.A N SER 176.A OG no hydrogen 3.265 N/A ILE 180.A N LEU 171.A O no hydrogen 2.848 N/A LYS 182.A NZ ASN 149.A OD1 no hydrogen 3.270 N/A PHE 183.A N GLY 169.A O no hydrogen 2.942 N/A LYS 185.A NZ ASN 149.A O no hydrogen 2.890 N/A ASN 187.A ND2 ILE 190.A O no hydrogen 3.186 N/A ASN 189.A N ASN 187.A OD1 no hydrogen 2.995 N/A ASN 189.A ND2 GLN 224.A OE1 no hydrogen 2.897 N/A ILE 190.A N ASN 187.A OD1 no hydrogen 2.955 N/A SER 191.A OG ASN 154.A OD1 no hydrogen 3.297 N/A VAL 193.A N ILE 202.A O no hydrogen 2.796 N/A HIS 195.A N GLU 200.A O no hydrogen 2.988 N/A HIS 195.A NE2 ALA 254.A O no hydrogen 2.907 N/A ASN 197.A N HIS 195.A ND1 no hydrogen 2.945 N/A ASN 197.A ND2 GLU 200.A OE1 no hydrogen 3.306 N/A GLY 198.A N HIS 195.A O no hydrogen 2.941 N/A LEU 199.A N ASN 197.A OD1 no hydrogen 2.592 N/A VAL 201.A N TRP 208.A O no hydrogen 2.930 N/A ILE 202.A N VAL 193.A O no hydrogen 2.751 N/A ILE 203.A N GLU 206.A O no hydrogen 2.941 N/A ASN 204.A ND2 ASP 223.A OD1 no hydrogen 3.018 N/A THR 205.A OG1 GLU 206.A OE2 no hydrogen 2.453 N/A GLU 206.A N ILE 203.A O no hydrogen 3.090 N/A ILE 207.A N HIS 217.A O no hydrogen 3.152 N/A TRP 208.A N VAL 201.A O no hydrogen 2.804 N/A ASP 209.A N HIS 214.A O no hydrogen 2.809 N/A LEU 210.A N LEU 199.A O no hydrogen 2.914 N/A ARG 211.A N ASP 209.A OD1 no hydrogen 2.962 N/A THR 212.A N ASP 209.A OD1 no hydrogen 2.871 N/A THR 212.A OG1 HIS 214.A ND1 no hydrogen 3.101 N/A PHE 213.A N ASP 209.A O no hydrogen 2.760 N/A HIS 214.A ND1 THR 212.A OG1 no hydrogen 3.101 N/A LEU 216.A N ILE 207.A O no hydrogen 2.813 N/A HIS 217.A N ILE 207.A O no hydrogen 3.466 N/A VAL 219.A N THR 205.A O no hydrogen 2.951 N/A LEU 222.A N VAL 219.A O no hydrogen 3.081 N/A ASP 223.A N PRO 220.A O no hydrogen 3.223 N/A GLN 224.A N ASN 204.A OD1 no hydrogen 2.788 N/A GLN 224.A NE2 ASN 187.A OD1 no hydrogen 3.190 N/A GLN 224.A NE2 ASP 223.A OD1 no hydrogen 3.200 N/A CYS 225.A N LEU 222.A O no hydrogen 2.961 N/A CYS 225.A SG ALA 221.A O no hydrogen 3.720 N/A CYS 225.A SG ASP 223.A O no hydrogen 3.885 N/A ARG 226.A N ALA 239.A O no hydrogen 2.874 N/A ARG 226.A NH2 ILE 269.A O no hydrogen 3.057 N/A VAL 228.A N TYR 237.A O no hydrogen 2.832 N/A ASN 230.A N VAL 235.A O no hydrogen 2.988 N/A ASN 230.A ND2 THR 234.A OG1 no hydrogen 3.033 N/A ASN 230.A ND2 ASP 278.A OD1 no hydrogen 3.368 N/A ASN 230.A ND2 ASP 278.A OD2 no hydrogen 3.452 N/A THR 232.A OG1 THR 234.A OG1 no hydrogen 3.069 N/A GLY 233.A N ASN 230.A O no hydrogen 3.251 N/A THR 234.A N ASN 230.A OD1 no hydrogen 3.088 N/A THR 234.A OG1 THR 232.A OG1 no hydrogen 3.069 N/A VAL 235.A N ASN 230.A OD1 no hydrogen 2.995 N/A MET 236.A N PHE 252.A O no hydrogen 3.030 N/A TYR 237.A N VAL 228.A O no hydrogen 2.714 N/A GLY 238.A N ARG 250.A O no hydrogen 3.029 N/A ALA 239.A N ARG 226.A O no hydrogen 3.269 N/A LEU 241.A N GLN 224.A O no hydrogen 3.064 N/A GLN 242.A N PRO 244.A O no hydrogen 3.040 N/A PHE 245.A N SER 243.A OG no hydrogen 3.344 N/A GLY 246.A N MET 240.A O no hydrogen 3.011 N/A SER 247.A OG ASP 264.A OD1 no hydrogen 3.075 N/A PHE 249.A N ILE 263.A O no hydrogen 3.264 N/A ARG 250.A N GLY 238.A O no hydrogen 2.877 N/A THR 251.A N ALA 261.A O no hydrogen 2.926 N/A THR 251.A OG1 PHE 5.A O no hydrogen 2.944 N/A PHE 252.A N MET 236.A O no hydrogen 2.871 N/A ASN 253.A N LYS 258.A O no hydrogen 2.797 N/A ASN 253.A ND2 HIS 2.A NE2 no hydrogen 3.150 N/A ALA 254.A N THR 234.A O no hydrogen 2.707 N/A THR 255.A N ASN 253.A OD1 no hydrogen 3.206 N/A THR 255.A OG1 ASN 253.A OD1 no hydrogen 3.073 N/A TYR 257.A OH GLU 200.A OE1 no hydrogen 2.387 N/A LYS 258.A N ASP 256.A OD1 no hydrogen 2.954 N/A ILE 260.A N THR 251.A O no hydrogen 2.903 N/A ILE 263.A N PHE 249.A O no hydrogen 2.958 N/A VAL 265.A N SER 247.A O no hydrogen 2.970 N/A LYS 266.A N ASP 264.A OD1 no hydrogen 3.128 N/A ARG 267.A NH1 LYS 266.A O no hydrogen 2.868 N/A ASN 268.A N ASN 286.A O no hydrogen 3.094 N/A ASN 268.A ND2 ASN 286.A OD1 no hydrogen 3.303 N/A ILE 269.A N GLY 246.A O no hydrogen 2.968 N/A PHE 270.A N ILE 284.A O no hydrogen 3.076 N/A CYS 273.A N ALA 282.A O no hydrogen 3.060 N/A THR 274.A OG1 ASP 275.A O no hydrogen 3.522 N/A THR 276.A N GLU 33.A OE2 no hydrogen 2.966 N/A THR 276.A OG1 GLU 33.A OE2 no hydrogen 2.422 N/A CYS 279.A N ASP 275.A OD1 no hydrogen 3.139 N/A CYS 279.A N ASP 275.A OD2 no hydrogen 3.001 N/A TYR 280.A N ASP 275.A OD2 no hydrogen 3.212 N/A LEU 281.A N TYR 302.A O no hydrogen 3.017 N/A ALA 282.A N CYS 273.A O no hydrogen 2.974 N/A VAL 283.A N ARG 300.A O no hydrogen 2.966 N/A ILE 284.A N ASP 271.A O no hydrogen 3.026 N/A GLU 285.A N VAL 298.A O no hydrogen 2.801 N/A ASN 286.A N ASN 268.A O no hydrogen 2.911 N/A ASN 286.A ND2 ASP 296.A O no hydrogen 3.630 N/A ASN 286.A ND2 THR 297.A OG1 no hydrogen 2.897 N/A GLN 287.A N ASP 296.A O no hydrogen 2.986 N/A SER 289.A N ASN 294.A O no hydrogen 2.828 N/A ALA 292.A N SER 289.A O no hydrogen 3.264 N/A ALA 292.A N SER 289.A OG no hydrogen 3.325 N/A LEU 293.A N MET 290.A O no hydrogen 2.942 N/A ASN 294.A N SER 289.A O no hydrogen 3.356 N/A ASN 294.A ND2 GLU 21.A OE1 no hydrogen 3.380 N/A MET 295.A N GLU 21.A OE2 no hydrogen 3.205 N/A THR 297.A N SER 22.A O no hydrogen 2.909 N/A THR 297.A OG1 MET 295.A O no hydrogen 2.821 N/A VAL 298.A N GLU 285.A O no hydrogen 2.892 N/A CYS 299.A N PHE 14.A O no hydrogen 3.086 N/A CYS 299.A SG VAL 283.A O no hydrogen 3.893 N/A ARG 300.A N VAL 283.A O no hydrogen 2.983 N/A ARG 300.A NH1 GLU 285.A OE1 no hydrogen 2.781 N/A LEU 301.A N SER 12.A O no hydrogen 2.906 N/A TYR 302.A N LEU 281.A O no hydrogen 2.765 N/A TYR 302.A OH GLU 285.A OE2 no hydrogen 2.654 N/A GLU 303.A N ARG 9.A O no hydrogen 2.758 N/A VAL 304.A N CYS 279.A O no hydrogen 3.036 N/A GLY 305.A N ARG 7.A O no hydrogen 2.838 N/A