Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6xx9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ASP 201.A OD2 no hydrogen 2.814 N/A SER 3.A OG HIS 302.A NE2 no hydrogen 2.839 N/A ALA 5.A N TYR 175.A OH no hydrogen 2.749 N/A ARG 6.A NE GLN 303.A O no hydrogen 2.872 N/A ARG 6.A NH1 GLU 310.A OE2 no hydrogen 2.977 N/A ARG 6.A NH2 ARG 305.A O no hydrogen 2.820 N/A ARG 6.A NH2 GLU 310.A OE1 no hydrogen 2.953 N/A ARG 6.A NH2 GLU 310.A OE2 no hydrogen 3.508 N/A TYR 8.A OH ASP 138.A OD1 no hydrogen 2.745 N/A THR 9.A OG1 ALA 5.A O no hydrogen 2.670 N/A ASN 12.A ND2 GLY 144.A O no hydrogen 3.003 N/A ASN 12.A ND2 TYR 175.A O no hydrogen 2.872 N/A VAL 13.A N GLU 10.A O no hydrogen 3.032 N/A ILE 14.A N GLU 10.A O no hydrogen 3.426 N/A ARG 15.A NH2 GLN 143.A OE1 no hydrogen 2.704 N/A TYR 19.A N PRO 16.A O no hydrogen 2.988 N/A TYR 19.A OH GLN 143.A O no hydrogen 2.689 N/A ASP 21.A N LYS 17.A O no hydrogen 2.833 N/A TYR 22.A N TRP 20.A O no hydrogen 2.799 N/A TYR 22.A OH GLU 173.A OE2 no hydrogen 2.799 N/A SER 24.A N ASP 21.A O no hydrogen 3.069 N/A SER 24.A OG ASP 21.A OD2 no hydrogen 2.862 N/A LEU 25.A N TYR 22.A O no hydrogen 2.929 N/A GLY 30.A N VAL 96.A O no hydrogen 2.780 N/A ASP 34.A N GLU 31.A O no hydrogen 3.084 N/A TYR 35.A N GLN 32.A O no hydrogen 3.076 N/A TYR 35.A OH ASP 95.A OD2 no hydrogen 2.548 N/A GLU 36.A N ILE 53.A O no hydrogen 2.599 N/A VAL 38.A N GLU 51.A O no hydrogen 2.874 N/A ARG 39.A N GLU 51.A O no hydrogen 3.046 N/A VAL 41.A N VAL 49.A O no hydrogen 2.798 N/A GLY 42.A N VAL 49.A O no hydrogen 3.230 N/A GLU 48.A N ILE 65.A O no hydrogen 3.300 N/A VAL 49.A N GLY 42.A O no hydrogen 3.012 N/A PHE 50.A N ILE 63.A O no hydrogen 2.818 N/A GLU 51.A N ARG 39.A O no hydrogen 2.731 N/A GLY 52.A N CYS 61.A O no hydrogen 2.743 N/A ILE 53.A N GLU 36.A O no hydrogen 2.601 N/A ASN 54.A N GLU 59.A O no hydrogen 2.458 N/A ASN 54.A ND2 ASP 34.A O no hydrogen 2.720 N/A VAL 55.A N ASP 34.A O no hydrogen 2.902 N/A SER 57.A N ASN 54.A O no hydrogen 3.207 N/A GLU 59.A N ASN 54.A O no hydrogen 3.308 N/A CYS 61.A N GLY 52.A O no hydrogen 2.831 N/A ILE 62.A N PHE 106.A O no hydrogen 2.880 N/A ILE 63.A N PHE 50.A O no hydrogen 2.756 N/A LYS 64.A N LEU 104.A O no hydrogen 2.776 N/A ILE 65.A N GLU 48.A O no hydrogen 3.008 N/A LYS 67.A N TYR 46.A O no hydrogen 2.566 N/A ILE 74.A N LYS 70.A O no hydrogen 3.028 N/A ARG 75.A N LYS 71.A O no hydrogen 3.213 N/A ARG 75.A NE LEU 25.A O no hydrogen 2.892 N/A ARG 75.A NH2 LEU 25.A O no hydrogen 3.041 N/A ARG 76.A N LYS 72.A O no hydrogen 3.100 N/A ARG 76.A NH1 GLU 173.A OE2 no hydrogen 3.553 N/A ARG 76.A NH2 GLY 170.A O no hydrogen 3.004 N/A GLU 77.A N LYS 73.A O no hydrogen 3.254 N/A ILE 78.A N ILE 74.A O no hydrogen 3.010 N/A LYS 79.A N ARG 75.A O no hydrogen 2.830 N/A LYS 79.A NZ ASP 18.A O no hydrogen 3.178 N/A ILE 80.A N ARG 76.A O no hydrogen 3.008 N/A LEU 81.A N GLU 77.A O no hydrogen 2.879 N/A GLN 82.A N ILE 78.A O no hydrogen 2.925 N/A ASN 83.A N LYS 79.A O no hydrogen 2.868 N/A ASN 83.A ND2 TYR 19.A O no hydrogen 2.949 N/A LEU 84.A N ILE 80.A O no hydrogen 3.012 N/A CYS 85.A SG LEU 93.A O no hydrogen 3.952 N/A GLY 87.A N LEU 84.A O no hydrogen 3.027 N/A ASN 89.A ND2 GLU 132.A O no hydrogen 2.818 N/A ASN 89.A ND2 GLU 132.A OE1 no hydrogen 2.980 N/A ILE 90.A N GLY 87.A O no hydrogen 3.392 N/A VAL 91.A N LEU 166.A O no hydrogen 3.272 N/A LEU 94.A N ILE 105.A O no hydrogen 2.674 N/A ASP 95.A N ILE 105.A O no hydrogen 3.281 N/A VAL 96.A N ASP 95.A OD1 no hydrogen 2.996 N/A VAL 97.A N SER 103.A O no hydrogen 3.150 N/A ASP 99.A N THR 101.A O no hydrogen 2.968 N/A LEU 104.A N LYS 64.A O no hydrogen 2.760 N/A ILE 105.A N ASP 95.A O no hydrogen 2.939 N/A PHE 106.A N ILE 62.A O no hydrogen 2.736 N/A GLU 107.A N LYS 92.A O no hydrogen 3.130 N/A SER 111.A OG THR 112.A O no hydrogen 3.493 N/A THR 112.A N ILE 157.A O no hydrogen 3.114 N/A LYS 115.A N ASP 113.A OD2 no hydrogen 2.779 N/A VAL 116.A N ASP 113.A O no hydrogen 2.900 N/A LEU 117.A N ASP 113.A O no hydrogen 2.868 N/A TYR 118.A N PHE 114.A O no hydrogen 2.863 N/A THR 120.A N LEU 117.A O no hydrogen 2.905 N/A THR 120.A OG1 LEU 117.A O no hydrogen 2.674 N/A LEU 121.A N TYR 118.A O no hydrogen 3.053 N/A THR 122.A N ASP 125.A OD2 no hydrogen 2.747 N/A THR 122.A OG1 ASP 125.A OD2 no hydrogen 3.023 N/A ASP 125.A N THR 122.A OG1 no hydrogen 3.225 N/A ILE 126.A N THR 122.A O no hydrogen 3.091 N/A ARG 127.A N ASP 123.A O no hydrogen 3.357 N/A ARG 127.A NE ASP 123.A OD1 no hydrogen 3.115 N/A ARG 127.A NE ASP 123.A OD2 no hydrogen 3.384 N/A ARG 127.A NH1 TYR 316.A O no hydrogen 3.213 N/A ARG 127.A NH2 ASP 123.A OD1 no hydrogen 3.334 N/A ARG 127.A NH2 ASP 123.A OD2 no hydrogen 2.823 N/A TYR 128.A N TYR 124.A O no hydrogen 2.826 N/A TYR 128.A OH ARG 162.A O no hydrogen 2.828 N/A TYR 129.A N ASP 125.A O no hydrogen 2.817 N/A TYR 129.A OH HIS 159.A ND1 no hydrogen 2.892 N/A ILE 130.A N ILE 126.A O no hydrogen 2.946 N/A TYR 131.A N ARG 127.A O no hydrogen 3.179 N/A TYR 131.A OH GLU 324.A OE1 no hydrogen 3.358 N/A GLU 132.A N TYR 128.A O no hydrogen 3.041 N/A LEU 133.A N TYR 129.A O no hydrogen 2.916 N/A LEU 134.A N ILE 130.A O no hydrogen 2.851 N/A LYS 135.A N TYR 131.A O no hydrogen 3.111 N/A LYS 135.A NZ GLU 132.A OE2 no hydrogen 2.951 N/A LYS 135.A NZ GLU 324.A OE2 no hydrogen 2.367 N/A ALA 136.A N GLU 132.A O no hydrogen 3.389 N/A LEU 137.A N LEU 133.A O no hydrogen 3.052 N/A ASP 138.A N LEU 134.A O no hydrogen 2.825 N/A PHE 139.A N LYS 135.A O no hydrogen 3.084 N/A CYS 140.A N ALA 136.A O no hydrogen 2.946 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.758 N/A CYS 140.A SG LEU 137.A O no hydrogen 3.622 N/A CYS 140.A SG ILE 145.A O no hydrogen 3.592 N/A HIS 141.A N LEU 137.A O no hydrogen 2.938 N/A HIS 141.A NE2 ASP 207.A OD2 no hydrogen 2.841 N/A SER 142.A N ASP 138.A O no hydrogen 2.939 N/A SER 142.A OG ASP 138.A O no hydrogen 3.327 N/A SER 142.A OG PHE 139.A O no hydrogen 2.679 N/A GLN 143.A N PHE 139.A O no hydrogen 3.011 N/A GLN 143.A N CYS 140.A O no hydrogen 3.196 N/A GLY 144.A N HIS 141.A O no hydrogen 2.834 N/A ILE 145.A N CYS 140.A O no hydrogen 2.891 N/A MET 146.A N GLU 173.A O no hydrogen 2.924 N/A HIS 147.A N ASP 207.A OD2 no hydrogen 2.860 N/A HIS 147.A NE2 ILE 167.A O no hydrogen 2.881 N/A ARG 148.A N ASP 207.A OD1 no hydrogen 2.719 N/A ARG 148.A NE LEU 171.A O no hydrogen 2.707 N/A ARG 148.A NH2 LEU 171.A O no hydrogen 2.885 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.000 N/A LYS 151.A NZ SER 187.A OG no hydrogen 2.720 N/A ASN 154.A N LYS 151.A O no hydrogen 2.900 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.713 N/A ASN 154.A ND2 ASP 149.A OD2 no hydrogen 3.169 N/A VAL 155.A N PRO 152.A O no hydrogen 2.993 N/A MET 156.A N ARG 165.A O no hydrogen 2.858 N/A ASP 158.A N LYS 163.A O no hydrogen 2.948 N/A HIS 159.A ND1 TYR 129.A OH no hydrogen 2.892 N/A GLU 160.A N ASP 158.A OD1 no hydrogen 3.220 N/A LEU 161.A N ASP 158.A OD1 no hydrogen 3.188 N/A ARG 162.A NH1 ASP 125.A OD1 no hydrogen 2.855 N/A ARG 162.A NH2 ASP 125.A OD1 no hydrogen 2.974 N/A LYS 163.A N ASP 158.A O no hydrogen 3.125 N/A ARG 165.A N MET 156.A O no hydrogen 2.810 N/A ARG 165.A NH1 LEU 164.A O no hydrogen 2.915 N/A LEU 166.A N ASN 89.A O no hydrogen 2.821 N/A ILE 167.A N ASN 154.A O no hydrogen 2.884 N/A TRP 169.A NE1 LEU 166.A O no hydrogen 2.982 N/A GLY 170.A N ASP 168.A OD1.A no hydrogen 3.293 N/A ALA 172.A N TRP 169.A O no hydrogen 3.178 N/A GLU 173.A N MET 146.A O no hydrogen 3.003 N/A PHE 174.A N GLU 173.A OE1 no hydrogen 2.633 N/A TYR 175.A N GLY 144.A O no hydrogen 2.825 N/A HIS 176.A N TYR 181.A OH no hydrogen 2.788 N/A LYS 179.A N HIS 176.A O no hydrogen 3.057 N/A TYR 181.A N GLN 200.A O no hydrogen 2.811 N/A TYR 181.A OH PHE 174.A O no hydrogen 2.495 N/A ARG 184.A N ASN 182.A OD1 no hydrogen 2.789 N/A SER 187.A OG ASP 149.A OD1 no hydrogen 2.954 N/A ARG 188.A NH1 GLY 228.A O no hydrogen 3.189 N/A PHE 190.A N SER 187.A O no hydrogen 2.722 N/A LYS 191.A N ARG 188.A O no hydrogen 3.184 N/A LYS 191.A NZ VAL 185.A O no hydrogen 2.653 N/A GLU 194.A N GLU 194.A OE1 no hydrogen 2.735 N/A LEU 195.A N GLY 192.A O no hydrogen 2.966 N/A LEU 196.A N PRO 193.A O no hydrogen 2.913 N/A VAL 197.A N PRO 193.A O no hydrogen 2.978 N/A LEU 199.A N GLU 194.A O no hydrogen 2.844 N/A GLN 200.A NE2 TYR 181.A O no hydrogen 3.173 N/A ASP 201.A N ASP 201.A OD1 no hydrogen 2.497 N/A TYR 202.A OH ASN 182.A O no hydrogen 2.632 N/A TYR 204.A OH TYR 8.A O no hydrogen 2.814 N/A SER 205.A N ASP 203.A OD1 no hydrogen 2.852 N/A SER 205.A OG ASP 203.A OD1 no hydrogen 2.606 N/A LEU 206.A N ASP 203.A O no hydrogen 2.912 N/A ASP 207.A N TYR 204.A O no hydrogen 2.820 N/A MET 208.A N SER 205.A O no hydrogen 2.955 N/A TRP 209.A N SER 205.A O no hydrogen 3.234 N/A SER 210.A N LEU 206.A O no hydrogen 3.270 N/A SER 210.A OG PHE 190.A O no hydrogen 2.857 N/A SER 210.A OG LEU 206.A O no hydrogen 3.396 N/A LEU 211.A N ASP 207.A O no hydrogen 2.956 N/A GLY 212.A N MET 208.A O no hydrogen 3.011 N/A CYS 213.A N TRP 209.A O no hydrogen 2.962 N/A CYS 213.A SG TYR 189.A O no hydrogen 3.767 N/A CYS 213.A SG TRP 209.A O no hydrogen 3.436 N/A MET 214.A N SER 210.A O no hydrogen 3.044 N/A PHE 215.A N LEU 211.A O no hydrogen 2.741 N/A ALA 216.A N GLY 212.A O no hydrogen 2.861 N/A GLY 217.A N CYS 213.A O no hydrogen 3.105 N/A MET 218.A N MET 214.A O no hydrogen 3.084 N/A ILE 219.A N PHE 215.A O no hydrogen 3.105 N/A PHE 220.A N ALA 216.A O no hydrogen 3.037 N/A ARG 221.A N MET 218.A O no hydrogen 3.321 N/A ARG 221.A NE ASP 281.A OD2 no hydrogen 2.697 N/A ARG 221.A NH1 PRO 119.A O no hydrogen 3.083 N/A ARG 221.A NH2 PRO 119.A O no hydrogen 2.859 N/A LYS 222.A N GLY 217.A O no hydrogen 2.969 N/A LYS 222.A NZ PHE 225.A O no hydrogen 3.238 N/A GLY 228.A N GLN 234.A OE1 no hydrogen 3.023 N/A HIS 229.A N ASP 233.A OD2 no hydrogen 2.758 N/A ASP 233.A N ASP 230.A OD1 no hydrogen 2.683 N/A GLN 234.A N ASP 230.A O no hydrogen 2.785 N/A GLN 234.A NE2 PHE 226.A O no hydrogen 3.040 N/A VAL 236.A N GLN 232.A O no hydrogen 3.289 N/A LYS 237.A N ASP 233.A O no hydrogen 2.809 N/A LYS 237.A NZ TYR 227.A O no hydrogen 3.069 N/A LYS 237.A NZ ASP 233.A OD2 no hydrogen 3.081 N/A ILE 238.A N GLN 234.A O no hydrogen 3.142 N/A ALA 239.A N LEU 235.A O no hydrogen 2.756 N/A LYS 240.A N VAL 236.A O no hydrogen 2.920 N/A VAL 241.A N ILE 238.A O no hydrogen 2.961 N/A LEU 242.A N ILE 238.A O no hydrogen 2.818 N/A GLY 243.A N ALA 239.A O no hydrogen 2.842 N/A THR 244.A N HIS 269.A O no hydrogen 2.994 N/A THR 244.A OG1 HIS 269.A O no hydrogen 3.341 N/A ASN 248.A N THR 244.A O no hydrogen 2.824 N/A ALA 249.A N ASP 245.A O no hydrogen 3.056 N/A TYR 250.A N GLU 246.A O no hydrogen 3.100 N/A LEU 251.A N LEU 247.A O no hydrogen 2.938 N/A ASN 252.A N ASN 248.A O no hydrogen 2.910 N/A LYS 253.A N ALA 249.A O no hydrogen 2.859 N/A LYS 253.A NZ TYR 254.A OH no hydrogen 3.345 N/A LYS 253.A NZ ASP 301.A OD2 no hydrogen 2.799 N/A LYS 253.A NZ GLN 303.A OE1.A no hydrogen 3.095 N/A TYR 254.A N TYR 250.A O no hydrogen 3.257 N/A TYR 254.A OH ASP 301.A OD1 no hydrogen 2.651 N/A GLN 255.A N ASN 252.A O no hydrogen 3.140 N/A LEU 256.A N LEU 251.A O no hydrogen 2.759 N/A GLN 261.A NE2 GLN 232.A OE1 no hydrogen 2.684 N/A LEU 262.A N ASP 259.A OD2 no hydrogen 3.243 N/A GLU 263.A N ASP 259.A O no hydrogen 2.873 N/A ALA 264.A N PRO 260.A O no hydrogen 2.964 N/A VAL 266.A N LEU 262.A O no hydrogen 2.926 N/A GLY 267.A N GLU 263.A O no hydrogen 3.112 N/A HIS 269.A N THR 244.A OG1 no hydrogen 3.088 N/A LYS 272.A N VAL 241.A O no hydrogen 2.883 N/A TRP 274.A NE1 ASP 295.A OD1 no hydrogen 2.763 N/A LYS 276.A N PRO 273.A O no hydrogen 2.960 N/A PHE 277.A N TRP 274.A O no hydrogen 3.177 N/A ILE 278.A N SER 275.A O no hydrogen 3.026 N/A ASN 279.A N ASN 282.A OD1 no hydrogen 2.839 N/A ASN 282.A N ASN 279.A O no hydrogen 3.293 N/A ASN 282.A N ASN 279.A OD1 no hydrogen 3.181 N/A ASN 282.A ND2 PHE 220.A O no hydrogen 3.011 N/A ASN 282.A ND2 PHE 277.A O no hydrogen 2.901 N/A LEU 285.A N ASN 282.A O no hydrogen 2.859 N/A VAL 286.A N GLN 283.A O no hydrogen 3.309 N/A SER 287.A OG GLU 289.A OE1 no hydrogen 3.076 N/A ALA 290.A N SER 287.A OG no hydrogen 3.279 N/A ILE 291.A N SER 287.A O no hydrogen 3.029 N/A ASP 292.A N PRO 288.A O no hydrogen 3.059 N/A PHE 293.A N GLU 289.A O no hydrogen 3.029 N/A LEU 294.A N ALA 290.A O no hydrogen 2.943 N/A ASP 295.A N ILE 291.A O no hydrogen 2.831 N/A LYS 296.A N ASP 292.A O no hydrogen 3.140 N/A LYS 296.A N PHE 293.A O no hydrogen 3.074 N/A LEU 297.A N PHE 293.A O no hydrogen 3.260 N/A LEU 297.A N LEU 294.A O no hydrogen 3.074 N/A LEU 298.A N LEU 294.A O no hydrogen 3.010 N/A ARG 299.A N LEU 297.A O no hydrogen 2.967 N/A ARG 299.A NE ASP 295.A O no hydrogen 2.670 N/A ARG 299.A NH1 ASP 304.A OD2.A no hydrogen 2.714 N/A ARG 299.A NH2 ASP 295.A OD2 no hydrogen 3.296 N/A TYR 300.A OH GLY 243.A O no hydrogen 2.732 N/A HIS 302.A NE2 SER 3.A OG no hydrogen 2.839 N/A GLN 303.A N ASP 301.A OD1 no hydrogen 2.954 N/A GLN 303.A NE2.A SER 3.A OG no hydrogen 3.103 N/A GLN 303.A NE2.B SER 3.A OG no hydrogen 2.960 N/A GLN 303.A NE2.B LYS 4.A O no hydrogen 2.393 N/A ASP 304.A N ASP 301.A O no hydrogen 2.829 N/A ARG 305.A N HIS 302.A O no hydrogen 3.364 N/A ARG 305.A NE ARG 299.A O no hydrogen 2.913 N/A ARG 305.A NH1 GLU 194.A OE1 no hydrogen 3.427 N/A ARG 305.A NH1 GLU 194.A OE2 no hydrogen 2.881 N/A ARG 305.A NH1 SER 205.A O no hydrogen 3.010 N/A ARG 305.A NH2 GLU 194.A OE1 no hydrogen 2.654 N/A ARG 305.A NH2 GLU 194.A OE2 no hydrogen 3.536 N/A ARG 305.A NH2 ARG 299.A O no hydrogen 3.390 N/A ARG 305.A NH2 TYR 300.A O no hydrogen 3.129 N/A LEU 306.A N LYS 296.A O no hydrogen 3.062 N/A THR 307.A N GLU 310.A OE1 no hydrogen 3.079 N/A LYS 309.A NZ TYR 8.A OH no hydrogen 3.112 N/A LYS 309.A NZ ASP 138.A OD2 no hydrogen 2.814 N/A GLU 310.A N THR 307.A OG1 no hydrogen 3.177 N/A ALA 311.A N THR 307.A O no hydrogen 2.822 N/A MET 312.A N ALA 308.A O no hydrogen 3.005 N/A ALA 313.A N LYS 309.A O no hydrogen 3.295 N/A ALA 313.A N GLU 310.A O no hydrogen 3.097 N/A HIS 314.A N ALA 311.A O no hydrogen 3.199 N/A HIS 314.A NE2 ASP 292.A OD2 no hydrogen 2.744 N/A TYR 316.A N HIS 314.A ND1 no hydrogen 2.964 N/A PHE 317.A N HIS 314.A O no hydrogen 2.972 N/A ALA 318.A N ALA 315.A O no hydrogen 3.015 N/A ARG 321.A N PHE 317.A O no hydrogen 2.865 N/A ARG 321.A NH1 MET 312.A O no hydrogen 2.833 N/A ARG 321.A NH1 HIS 314.A O no hydrogen 2.811 N/A ALA 322.A N ALA 318.A O no hydrogen 3.092 N/A ALA 323.A N GLN 319.A O no hydrogen 2.797 N/A THR 325.A N ARG 321.A O no hydrogen 3.372 N/A THR 325.A OG1 ARG 321.A O no hydrogen 3.304 N/A