Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5fec_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N VAL 335.A O no hydrogen 3.218 N/A THR 8.A N THR 7.A OG1 no hydrogen 2.727 N/A PHE 10.A N CYS 102.A O no hydrogen 3.064 N/A CYS 11.A SG ALA 30.A O no hydrogen 3.223 N/A ALA 12.A N HIS 100.A O no hydrogen 2.865 N/A SER 13.A N VAL 32.A O no hydrogen 3.075 N/A ALA 15.A N SER 13.A OG no hydrogen 3.171 N/A LYS 16.A N ASN 24.A OD1 no hydrogen 2.898 N/A GLU 19.A N LYS 16.A O no hydrogen 3.090 N/A CYS 22.A N THR 93.A O no hydrogen 3.196 N/A CYS 22.A SG GLU 21.A OE2 no hydrogen 3.637 N/A CYS 22.A SG THR 93.A O no hydrogen 2.897 N/A HIS 23.A N GLU 21.A OE2 no hydrogen 3.047 N/A ASN 24.A N GLU 21.A OE1 no hydrogen 3.014 N/A ASN 24.A ND2 GLU 21.A OE1 no hydrogen 2.817 N/A VAL 25.A N GLU 21.A O no hydrogen 2.942 N/A TRP 26.A N CYS 22.A O no hydrogen 2.751 N/A TRP 26.A NE1 SER 67.A OG no hydrogen 3.312 N/A ALA 27.A N HIS 23.A O no hydrogen 2.944 N/A THR 28.A N ASN 24.A O no hydrogen 2.837 N/A THR 28.A OG1 ASN 24.A O no hydrogen 3.379 N/A THR 28.A OG1 VAL 25.A O no hydrogen 3.153 N/A ALA 30.A N TRP 26.A O no hydrogen 2.779 N/A CYS 31.A N ALA 27.A O no hydrogen 2.746 N/A VAL 32.A N CYS 11.A O no hydrogen 3.042 N/A THR 34.A OG1 ASP 14.A OD1 no hydrogen 3.005 N/A ASN 37.A N ASP 35.A OD1 no hydrogen 2.701 N/A VAL 41.A N THR 128.A O no hydrogen 3.048 N/A LEU 43.A N VAL 126.A O no hydrogen 2.842 N/A GLU 48.A N CYS 123.A O no hydrogen 3.022 N/A PHE 50.A N GLY 121.A O no hydrogen 3.065 N/A MET 52.A N GLY 119.A O no hydrogen 2.986 N/A TRP 53.A N ASN 51.A OD1 no hydrogen 3.046 N/A LYS 54.A N ASN 51.A O no hydrogen 2.943 N/A ASN 55.A ND2 TYR 333.A O no hydrogen 3.208 N/A MET 57.A N ASN 55.A OD1 no hydrogen 2.965 N/A VAL 58.A N ASN 55.A O no hydrogen 3.170 N/A GLN 60.A N ASP 56.A O no hydrogen 3.163 N/A GLN 60.A N MET 57.A O no hydrogen 3.052 N/A GLN 60.A NE2 THR 7.A O no hydrogen 3.347 N/A MET 61.A N MET 57.A O no hydrogen 2.968 N/A GLN 62.A N VAL 58.A O no hydrogen 3.111 N/A GLU 63.A N ASP 59.A O no hydrogen 3.179 N/A ASP 64.A N GLN 60.A O no hydrogen 2.970 N/A VAL 65.A N MET 61.A O no hydrogen 2.663 N/A ILE 66.A N GLN 62.A O no hydrogen 3.011 N/A SER 67.A N GLU 63.A O no hydrogen 3.155 N/A ILE 68.A N ASP 64.A O no hydrogen 2.824 N/A TRP 69.A N VAL 65.A O no hydrogen 2.926 N/A ASP 70.A N ILE 66.A O no hydrogen 2.898 N/A GLN 71.A N SER 67.A O no hydrogen 3.276 N/A CYS 72.A N ILE 68.A O no hydrogen 2.781 N/A CYS 72.A SG ILE 68.A O no hydrogen 3.595 N/A LEU 73.A N TRP 69.A O no hydrogen 2.788 N/A CYS 76.A N ILE 281.A O no hydrogen 2.799 N/A VAL 77.A N ILE 281.A O no hydrogen 3.260 N/A LYS 78.A N LEU 85.A O no hydrogen 2.883 N/A LEU 79.A N LYS 279.A O no hydrogen 2.719 N/A THR 80.A N SER 83.A O no hydrogen 3.061 N/A SER 83.A N THR 80.A O no hydrogen 2.787 N/A LEU 85.A N LYS 78.A O no hydrogen 2.856 N/A GLN 87.A N CYS 76.A O no hydrogen 3.049 N/A GLN 87.A NE2 PRO 75.A O no hydrogen 3.061 N/A LYS 91.A NZ GLU 242.A OE1 no hydrogen 3.353 N/A LYS 91.A NZ ALA 283.A O no hydrogen 3.150 N/A ASP 95.A N GLU 21.A OE2 no hydrogen 2.738 N/A ILE 99.A N ILE 135.A O no hydrogen 2.557 N/A HIS 100.A N ALA 12.A O no hydrogen 2.774 N/A HIS 100.A ND1 THR 132.A O no hydrogen 2.905 N/A TYR 101.A N THR 132.A OG1 no hydrogen 2.799 N/A TYR 101.A OH ASP 64.A OD2 no hydrogen 2.945 N/A CYS 102.A N PHE 10.A O no hydrogen 2.684 N/A ALA 103.A N GLN 130.A O no hydrogen 2.691 N/A TYR 107.A N PRO 104.A O no hydrogen 3.072 N/A ALA 108.A N VAL 336.A O no hydrogen 2.994 N/A ILE 109.A N VAL 129.A O no hydrogen 3.022 N/A LEU 110.A N LYS 334.A O no hydrogen 2.848 N/A LYS 111.A N SER 127.A O no hydrogen 2.936 N/A CYS 112.A N LYS 332.A O no hydrogen 2.834 N/A ASN 113.A N ASN 125.A O no hydrogen 2.657 N/A ASN 113.A ND2 ASN 125.A OD1 no hydrogen 3.582 N/A GLN 114.A NE2 PRO 122.A O no hydrogen 3.587 N/A GLN 114.A NE2 ASN 124.A OD1 no hydrogen 2.711 N/A LYS 120.A N ASN 118.A OD1 no hydrogen 3.085 N/A GLY 121.A N PHE 50.A O no hydrogen 3.073 N/A CYS 123.A N GLU 48.A O no hydrogen 2.824 N/A CYS 123.A SG ASN 125.A O no hydrogen 3.730 N/A ASN 124.A N ASN 124.A OD1 no hydrogen 2.383 N/A ASN 125.A N ASN 124.A OD1 no hydrogen 2.968 N/A SER 127.A N LYS 111.A O no hydrogen 3.096 N/A SER 127.A OG GLU 40.A OE1 no hydrogen 3.059 N/A THR 128.A N VAL 41.A O no hydrogen 2.906 N/A VAL 129.A N ILE 109.A O no hydrogen 2.958 N/A THR 132.A N TYR 101.A O no hydrogen 2.735 N/A THR 132.A OG1 HIS 133.A O no hydrogen 2.835 N/A HIS 133.A N TYR 333.A OH no hydrogen 2.966 N/A HIS 133.A ND1 TYR 333.A OH no hydrogen 2.804 N/A HIS 133.A NE2 GLU 329.A OE1 no hydrogen 3.045 N/A ILE 135.A N ILE 99.A O no hydrogen 2.607 N/A VAL 138.A N LYS 136.A O no hydrogen 2.738 N/A SER 140.A OG LEU 143.A O no hydrogen 2.801 N/A THR 141.A N SER 236.A O no hydrogen 3.194 N/A THR 141.A OG1 GLU 231.A O no hydrogen 2.558 N/A THR 141.A OG1 THR 234.A O no hydrogen 2.945 N/A GLN 142.A N SER 318.A O no hydrogen 2.854 N/A GLN 142.A NE2 ILE 232.A O no hydrogen 3.350 N/A LEU 143.A N THR 141.A O no hydrogen 2.722 N/A LEU 144.A N GLY 298.A O no hydrogen 2.734 N/A ASN 146.A N ASP 295.A O no hydrogen 2.943 N/A GLY 147.A N THR 297.A OG1 no hydrogen 3.164 N/A SER 148.A N GLU 329.A OE2 no hydrogen 2.860 N/A SER 148.A OG GLU 329.A OE1 no hydrogen 3.058 N/A SER 148.A OG GLU 329.A OE2 no hydrogen 3.240 N/A ALA 150.A N LEU 172.A O no hydrogen 2.871 N/A VAL 155.A N GLN 171.A O no hydrogen 3.266 N/A ARG 157.A N ILE 169.A O no hydrogen 2.743 N/A ARG 157.A NE PHE 117.A O no hydrogen 3.301 N/A ARG 157.A NE ASN 118.A O no hydrogen 3.238 N/A ARG 157.A NH1 GLN 171.A OE1 no hydrogen 2.899 N/A ARG 157.A NH2 PHE 117.A O no hydrogen 2.787 N/A ARG 157.A NH2 GLN 171.A OE1 no hydrogen 3.404 N/A SER 158.A OG ILE 167.A O no hydrogen 3.546 N/A ASN 160.A N SER 158.A OG no hydrogen 2.945 N/A ARG 162.A N ASN 160.A OD1 no hydrogen 3.221 N/A ALA 165.A N ASP 163.A OD1 no hydrogen 3.043 N/A LYS 166.A N ASP 163.A O no hydrogen 3.138 N/A ILE 168.A N LEU 301.A O no hydrogen 2.878 N/A ILE 169.A N ARG 157.A O no hydrogen 2.761 N/A VAL 170.A N LEU 299.A O no hydrogen 2.829 N/A GLN 171.A N VAL 155.A O no hydrogen 2.929 N/A GLN 171.A NE2 SER 148.A O no hydrogen 3.401 N/A GLN 171.A NE2 TYR 331.A OH no hydrogen 3.537 N/A LEU 172.A N THR 297.A O no hydrogen 2.973 N/A VAL 176.A N ILE 296.A O no hydrogen 3.118 N/A ILE 178.A N SER 294.A O no hydrogen 2.889 N/A VAL 179.A N GLN 194.A O no hydrogen 3.082 N/A CYS 180.A N CYS 292.A O no hydrogen 3.145 N/A THR 181.A N TYR 192.A O no hydrogen 2.708 N/A ARG 182.A N ILE 290.A O no hydrogen 2.800 N/A ARG 182.A NE GLY 288.A O no hydrogen 3.397 N/A ARG 182.A NH2 GLY 288.A O no hydrogen 3.356 N/A ARG 189.A N ASP 187.A OD1 no hydrogen 2.782 N/A ARG 189.A NH2 GLN 269.A OE1 no hydrogen 2.872 N/A GLN 190.A N ASP 187.A O no hydrogen 2.776 N/A ALA 191.A N CYS 265.A O no hydrogen 2.771 N/A TYR 192.A N THR 181.A O no hydrogen 2.992 N/A CYS 193.A N LEU 263.A O no hydrogen 2.889 N/A GLN 194.A N VAL 179.A O no hydrogen 2.787 N/A ILE 195.A N ILE 261.A O no hydrogen 3.063 N/A GLN 199.A N SER 196.A OG no hydrogen 3.041 N/A TRP 200.A N SER 196.A O no hydrogen 2.938 N/A TRP 200.A NE1 LEU 251.A O no hydrogen 2.663 N/A SER 201.A N GLY 197.A O no hydrogen 2.761 N/A GLU 202.A N ARG 198.A O no hydrogen 2.985 N/A ALA 203.A N GLN 199.A O no hydrogen 3.103 N/A VAL 204.A N TRP 200.A O no hydrogen 2.847 N/A ASN 205.A N SER 201.A O no hydrogen 3.096 N/A GLN 206.A N GLU 202.A O no hydrogen 3.045 N/A VAL 207.A N ALA 203.A O no hydrogen 3.125 N/A LYS 208.A N VAL 204.A O no hydrogen 2.685 N/A LYS 208.A NZ ILE 220.A O no hydrogen 3.524 N/A LYS 208.A NZ ASP 254.A OD1 no hydrogen 3.107 N/A LYS 209.A N ASN 205.A O no hydrogen 2.758 N/A LYS 210.A N GLN 206.A O no hydrogen 3.163 N/A LEU 211.A N VAL 207.A O no hydrogen 2.675 N/A LYS 212.A N LYS 208.A O no hydrogen 2.806 N/A GLU 213.A N LYS 209.A O no hydrogen 3.272 N/A GLU 213.A N LYS 210.A O no hydrogen 3.157 N/A HIS 214.A N LEU 211.A O no hydrogen 3.289 N/A PHE 215.A N LEU 211.A O no hydrogen 3.270 N/A PHE 215.A N LYS 212.A O no hydrogen 3.230 N/A LYS 218.A N PHE 215.A O no hydrogen 3.366 N/A GLN 219.A N ASN 311.A O no hydrogen 2.812 N/A SER 221.A N GLU 313.A O no hydrogen 2.837 N/A SER 221.A OG ASP 254.A OD2 no hydrogen 2.466 N/A PHE 222.A N ASP 254.A OD1 no hydrogen 2.718 N/A GLN 223.A N PHE 315.A O no hydrogen 3.097 N/A GLN 223.A NE2 SER 221.A OG no hydrogen 2.852 N/A SER 225.A OG GLY 227.A O no hydrogen 3.452 N/A GLY 227.A N SER 225.A OG no hydrogen 3.239 N/A GLU 231.A N GLU 231.A OE1 no hydrogen 2.782 N/A ILE 232.A N ASP 229.A O no hydrogen 2.904 N/A THR 233.A N ASP 229.A O no hydrogen 2.841 N/A THR 233.A OG1 ASP 229.A O no hydrogen 3.281 N/A THR 234.A N LEU 230.A O no hydrogen 3.272 N/A THR 234.A OG1 LEU 230.A O no hydrogen 2.977 N/A HIS 235.A N CYS 246.A O no hydrogen 3.041 N/A HIS 235.A ND1 THR 141.A O no hydrogen 2.734 N/A SER 236.A N THR 141.A OG1 no hydrogen 3.131 N/A SER 236.A OG PHE 244.A O no hydrogen 3.270 N/A PHE 237.A N PHE 244.A O no hydrogen 3.039 N/A CYS 239.A N GLU 242.A O no hydrogen 2.876 N/A GLU 242.A N CYS 239.A O no hydrogen 3.114 N/A PHE 244.A N PHE 237.A O no hydrogen 2.678 N/A TYR 245.A N ARG 266.A O no hydrogen 3.178 N/A TYR 245.A OH GLU 231.A OE2 no hydrogen 2.424 N/A CYS 246.A N HIS 235.A O no hydrogen 3.231 N/A ASN 247.A N PRO 264.A O no hydrogen 2.917 N/A THR 248.A OG1 GLN 142.A OE1 no hydrogen 2.730 N/A SER 249.A N ASN 247.A OD1 no hydrogen 3.014 N/A SER 249.A OG ASN 247.A OD1 no hydrogen 2.827 N/A LEU 251.A N THR 248.A O no hydrogen 3.000 N/A PHE 252.A N THR 248.A O no hydrogen 3.286 N/A ILE 261.A N ILE 195.A O no hydrogen 2.822 N/A LEU 263.A N CYS 193.A O no hydrogen 2.830 N/A CYS 265.A N ALA 191.A O no hydrogen 2.861 N/A CYS 265.A SG LEU 263.A O no hydrogen 3.896 N/A ARG 266.A N TYR 245.A O no hydrogen 3.005 N/A ARG 266.A NH1 ASP 187.A OD2 no hydrogen 2.396 N/A ILE 267.A N ARG 189.A O no hydrogen 2.931 N/A LYS 268.A N PHE 243.A O no hydrogen 3.243 N/A GLN 269.A NE2 TYR 282.A O no hydrogen 2.593 N/A ILE 271.A N ALA 280.A O no hydrogen 2.991 N/A ASN 272.A N GLU 231.A OE2 no hydrogen 2.987 N/A ASN 272.A ND2 GLU 231.A OE1 no hydrogen 2.981 N/A MET 273.A N GLY 278.A O no hydrogen 3.031 N/A GLN 275.A N GLN 275.A OE1 no hydrogen 2.649 N/A LYS 279.A N LEU 79.A O no hydrogen 2.982 N/A ALA 280.A N ILE 271.A O no hydrogen 3.032 N/A ILE 281.A N VAL 77.A O no hydrogen 2.836 N/A TYR 282.A N GLN 269.A O no hydrogen 2.755 N/A TYR 282.A OH LEU 73.A O no hydrogen 2.743 N/A ILE 290.A N ARG 182.A O no hydrogen 3.304 N/A THR 291.A OG1 GLN 289.A OE1 no hydrogen 2.535 N/A CYS 292.A N CYS 180.A O no hydrogen 2.995 N/A CYS 292.A SG THR 291.A O no hydrogen 3.558 N/A SER 294.A N ILE 178.A O no hydrogen 2.866 N/A ASP 295.A N ASN 146.A OD1 no hydrogen 3.348 N/A ILE 296.A N VAL 176.A O no hydrogen 2.728 N/A THR 297.A N LEU 144.A O no hydrogen 2.874 N/A THR 297.A OG1 LEU 144.A O no hydrogen 3.387 N/A LEU 299.A N VAL 170.A O no hydrogen 2.848 N/A LEU 300.A N GLN 142.A O no hydrogen 2.896 N/A LEU 301.A N ILE 168.A O no hydrogen 2.971 N/A LEU 302.A N ARG 316.A O no hydrogen 2.713 N/A ARG 303.A NH1 GLU 313.A OE1 no hydrogen 2.889 N/A ARG 303.A NH2 LEU 161.A O no hydrogen 3.166 N/A ASP 304.A N ILE 314.A O no hydrogen 2.818 N/A ASN 311.A N THR 308.A O no hydrogen 3.435 N/A ASN 311.A ND2 HIS 217.A O no hydrogen 2.624 N/A GLU 313.A N GLN 219.A O no hydrogen 2.773 N/A PHE 315.A N SER 221.A O no hydrogen 2.880 N/A ARG 316.A N LEU 302.A O no hydrogen 2.808 N/A ARG 316.A NE ASP 304.A OD1 no hydrogen 2.792 N/A ARG 316.A NE ASP 304.A OD2 no hydrogen 2.797 N/A ARG 316.A NH1 SER 224.A O no hydrogen 2.851 N/A ARG 316.A NH2 ASP 304.A OD2 no hydrogen 2.473 N/A SER 318.A N LEU 300.A O no hydrogen 2.754 N/A GLY 319.A N SER 318.A OG no hydrogen 2.725 N/A ARG 323.A N ASP 321.A OD1 no hydrogen 3.369 N/A ASP 324.A N ASP 321.A O no hydrogen 2.878 N/A ASN 325.A ND2 VAL 138.A O no hydrogen 3.669 N/A ASN 325.A ND2 SER 140.A O no hydrogen 2.932 N/A TRP 326.A N MET 322.A O no hydrogen 3.378 N/A TRP 326.A NE1 GLN 62.A OE1 no hydrogen 2.906 N/A ARG 327.A N ARG 323.A O no hydrogen 3.053 N/A ARG 327.A NE MET 52.A O no hydrogen 3.208 N/A ARG 327.A NH1 ASP 324.A OD1 no hydrogen 3.111 N/A SER 328.A N ASP 324.A O no hydrogen 3.242 N/A SER 328.A OG ASN 325.A O no hydrogen 2.672 N/A GLU 329.A N TRP 326.A O no hydrogen 2.817 N/A LEU 330.A N TRP 326.A O no hydrogen 2.869 N/A TYR 333.A N LEU 330.A O no hydrogen 2.781 N/A TYR 333.A OH HIS 133.A ND1 no hydrogen 2.804 N/A LYS 334.A N LEU 110.A O no hydrogen 3.171 N/A LYS 334.A NZ ASN 49.A O no hydrogen 3.014 N/A VAL 336.A N ALA 108.A O no hydrogen 3.074 N/A GLU 337.A N LYS 3.A O no hydrogen 2.918 N/A ILE 338.A N GLY 106.A O no hydrogen 3.168 N/A