Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cfl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N ASN 27.A O no hydrogen 3.021 N/A VAL 5.A N ASP 49.A OD2 no hydrogen 2.881 N/A TRP 6.A N THR 29.A O no hydrogen 2.698 N/A CYS 7.A N ALA 50.A O no hydrogen 3.017 N/A CYS 7.A SG ALA 31.A O no hydrogen 3.937 N/A ALA 8.A N ALA 31.A O no hydrogen 2.688 N/A VAL 9.A N GLU 13.A OE1 no hydrogen 2.972 N/A GLY 10.A N ALA 33.A O no hydrogen 2.879 N/A GLN 14.A N GLY 10.A O no hydrogen 3.094 N/A GLN 14.A NE2 THR 32.A OG1 no hydrogen 3.085 N/A LYS 15.A N PRO 11.A O no hydrogen 3.054 N/A LYS 16.A N GLU 12.A O no hydrogen 3.111 N/A LYS 16.A NZ LEU 290.A O no hydrogen 2.732 N/A LYS 16.A NZ LYS 292.A O no hydrogen 2.876 N/A LYS 16.A NZ LEU 298.A O no hydrogen 2.867 N/A CYS 17.A N GLU 13.A O no hydrogen 2.899 N/A GLN 18.A N GLN 14.A O no hydrogen 2.956 N/A GLN 19.A N LYS 15.A O no hydrogen 3.251 N/A TRP 20.A N LYS 16.A O no hydrogen 3.078 N/A TRP 20.A NE1 GLN 273.A OE1 no hydrogen 2.916 N/A SER 21.A N CYS 17.A O no hydrogen 2.702 N/A SER 21.A OG VAL 28.A O no hydrogen 2.674 N/A GLN 22.A N GLN 18.A O no hydrogen 2.923 N/A GLN 23.A N GLN 19.A O no hydrogen 2.943 N/A SER 24.A N TRP 20.A O no hydrogen 2.981 N/A SER 24.A OG TRP 20.A O no hydrogen 3.124 N/A SER 24.A OG SER 21.A O no hydrogen 2.893 N/A SER 24.A OG VAL 28.A O no hydrogen 3.520 N/A GLY 25.A N GLN 22.A O no hydrogen 3.193 N/A GLN 26.A N SER 21.A O no hydrogen 3.087 N/A ASN 27.A N SER 24.A O no hydrogen 3.252 N/A VAL 28.A N SER 24.A OG no hydrogen 3.135 N/A THR 29.A N VAL 4.A O no hydrogen 2.800 N/A ALA 31.A N TRP 6.A O no hydrogen 2.708 N/A ALA 33.A N ALA 8.A O no hydrogen 2.888 N/A ASP 38.A N THR 35.A OG1 no hydrogen 3.073 N/A CYS 39.A N THR 35.A O no hydrogen 3.066 N/A CYS 39.A SG ALA 8.A O no hydrogen 3.683 N/A ILE 40.A N THR 36.A O no hydrogen 2.931 N/A VAL 41.A N ASP 37.A O no hydrogen 3.164 N/A LEU 42.A N ASP 38.A O no hydrogen 3.105 N/A VAL 43.A N CYS 39.A O no hydrogen 3.050 N/A LEU 44.A N ILE 40.A O no hydrogen 3.064 N/A LYS 45.A N VAL 41.A O no hydrogen 2.960 N/A LYS 45.A NZ GLU 47.A OE1 no hydrogen 3.502 N/A GLY 46.A N VAL 43.A O no hydrogen 3.057 N/A GLU 47.A N LEU 42.A O no hydrogen 2.800 N/A ALA 48.A N LEU 42.A O no hydrogen 3.160 N/A ASP 49.A N VAL 5.A O no hydrogen 2.806 N/A ASN 52.A ND2 GLU 72.A OE2 no hydrogen 2.704 N/A ASN 52.A ND2 LEU 299.A O no hydrogen 3.168 N/A LEU 53.A N ALA 255.A O no hydrogen 2.743 N/A GLY 56.A N ASP 54.A OD2 no hydrogen 3.021 N/A TYR 57.A N ASP 54.A O no hydrogen 2.953 N/A ILE 58.A N ASP 54.A O no hydrogen 3.066 N/A TYR 59.A N GLY 55.A O no hydrogen 3.182 N/A THR 60.A N GLY 56.A O no hydrogen 3.446 N/A ALA 61.A N TYR 57.A O no hydrogen 2.791 N/A GLY 62.A N ILE 58.A O no hydrogen 2.823 N/A LYS 63.A N TYR 59.A O no hydrogen 3.340 N/A LYS 63.A NZ TYR 316.A OH no hydrogen 3.148 N/A CYS 64.A N ALA 61.A O no hydrogen 3.075 N/A CYS 64.A SG THR 60.A O no hydrogen 3.591 N/A GLY 65.A N GLY 62.A O no hydrogen 3.037 N/A LEU 66.A N ALA 61.A O no hydrogen 2.944 N/A VAL 67.A N SER 258.A O no hydrogen 2.834 N/A VAL 69.A N VAL 256.A O no hydrogen 2.712 N/A ALA 71.A N ALA 308.A O no hydrogen 2.951 N/A GLU 72.A N HIS 254.A O no hydrogen 2.819 N/A ASN 73.A N CYS 306.A O no hydrogen 2.843 N/A ARG 74.A NH1 GLY 91.A O no hydrogen 3.431 N/A ARG 74.A NH2 GLY 91.A O no hydrogen 2.559 N/A SER 76.A OG LYS 78.A O no hydrogen 2.873 N/A SER 80.A OG SER 77.A O no hydrogen 3.393 N/A LEU 86.A N ASP 83.A O no hydrogen 3.091 N/A ARG 87.A N ASP 83.A O no hydrogen 2.944 N/A ARG 87.A N CYS 84.A O no hydrogen 3.110 N/A ARG 87.A NH1 GLU 305.A OE1 no hydrogen 3.328 N/A ARG 87.A NH2 GLU 305.A OE1 no hydrogen 3.249 N/A TYR 92.A N ALA 251.A O no hydrogen 2.781 N/A TYR 92.A OH HIS 254.A NE2 no hydrogen 3.118 N/A ALA 94.A N ALA 249.A O no hydrogen 2.922 N/A VAL 95.A N VAL 202.A O no hydrogen 2.960 N/A VAL 97.A N ALA 200.A O no hydrogen 2.906 N/A VAL 98.A N ARG 229.A O no hydrogen 2.886 N/A LYS 99.A NZ ALA 193.A O no hydrogen 3.481 N/A LYS 99.A NZ ASP 195.A OD1 no hydrogen 2.778 N/A LYS 100.A N ASP 227.A O no hydrogen 2.843 N/A LYS 100.A NZ GLU 226.A OE1 no hydrogen 3.537 N/A ASN 102.A N LYS 99.A O no hydrogen 3.108 N/A ASN 102.A ND2 ASP 198.A OD1 no hydrogen 3.413 N/A THR 106.A N SER 109.A OG no hydrogen 3.153 N/A TRP 107.A NE1 GLN 136.A OE1 no hydrogen 2.748 N/A ASN 108.A N THR 106.A OG1 no hydrogen 3.320 N/A SER 109.A N THR 106.A O no hydrogen 2.957 N/A SER 109.A OG GLY 104.A O no hydrogen 3.536 N/A SER 109.A OG THR 106.A O no hydrogen 3.285 N/A LYS 111.A NZ ASP 112.A OD2 no hydrogen 3.013 N/A LYS 111.A NZ GLU 144.A O no hydrogen 3.412 N/A LYS 111.A NZ PHE 145.A O no hydrogen 3.560 N/A ASP 112.A N PHE 145.A O no hydrogen 2.886 N/A LYS 113.A N LEU 110.A O no hydrogen 3.047 N/A LYS 113.A NZ SER 109.A O no hydrogen 3.110 N/A LYS 114.A N ASP 198.A OD2 no hydrogen 2.886 N/A LYS 114.A NZ VAL 196.A O no hydrogen 3.249 N/A SER 115.A N GLN 148.A O no hydrogen 3.047 N/A SER 115.A OG HIS 117.A NE2 no hydrogen 2.607 N/A SER 115.A OG SER 149.A OG no hydrogen 2.622 N/A CYS 116.A N VAL 199.A O no hydrogen 2.757 N/A HIS 117.A N CYS 150.A O no hydrogen 2.959 N/A HIS 117.A ND1 GLY 125.A O no hydrogen 2.831 N/A HIS 117.A NE2 SER 115.A OG no hydrogen 2.607 N/A VAL 120.A N PRO 152.A O no hydrogen 2.915 N/A ARG 122.A N ALA 119.A O no hydrogen 3.437 N/A ARG 122.A NH1 TYR 183.A OH no hydrogen 3.281 N/A THR 123.A N ASP 54.A OD2 no hydrogen 2.734 N/A THR 123.A OG1 ASP 54.A OD1 no hydrogen 3.483 N/A THR 123.A OG1 ASP 54.A OD2 no hydrogen 3.142 N/A THR 123.A OG1 TYR 324.A OH no hydrogen 2.643 N/A TRP 126.A N ARG 122.A O no hydrogen 3.007 N/A ASN 127.A N ARG 122.A O no hydrogen 2.760 N/A ASN 127.A ND2 ASP 121.A O no hydrogen 3.263 N/A ASN 127.A ND2 TYR 324.A OH no hydrogen 3.011 N/A ILE 128.A N THR 123.A O no hydrogen 2.962 N/A MET 130.A N TRP 126.A O no hydrogen 3.017 N/A GLY 131.A N ASN 127.A O no hydrogen 3.157 N/A LEU 132.A N ILE 128.A O no hydrogen 3.009 N/A ILE 133.A N PRO 129.A O no hydrogen 2.925 N/A VAL 134.A N MET 130.A O no hydrogen 2.831 N/A ASN 135.A N GLY 131.A O no hydrogen 3.112 N/A GLN 136.A N LEU 132.A O no hydrogen 2.990 N/A THR 137.A N ILE 133.A O no hydrogen 3.025 N/A THR 137.A OG1 ILE 133.A O no hydrogen 2.983 N/A SER 139.A N VAL 134.A O no hydrogen 3.424 N/A ALA 141.A N SER 139.A OG no hydrogen 3.214 N/A GLU 144.A N ALA 141.A O no hydrogen 2.806 N/A SER 147.A N LYS 113.A O no hydrogen 2.890 N/A SER 147.A OG ASP 112.A O no hydrogen 3.052 N/A SER 147.A OG LYS 113.A O no hydrogen 3.065 N/A SER 149.A N ARG 159.A O no hydrogen 2.965 N/A SER 149.A OG SER 115.A OG no hydrogen 2.622 N/A CYS 150.A N SER 115.A O no hydrogen 2.974 N/A ALA 151.A N LEU 160.A O no hydrogen 2.842 N/A GLY 153.A N CYS 174.A O no hydrogen 2.860 N/A ALA 154.A N ALA 151.A O no hydrogen 3.125 N/A LYS 157.A N ASP 155.A OD1 no hydrogen 3.347 N/A LYS 157.A NZ ASP 155.A OD1 no hydrogen 3.071 N/A LYS 157.A NZ ASP 155.A OD2 no hydrogen 3.245 N/A SER 158.A N ASP 155.A O no hydrogen 2.891 N/A SER 158.A OG ASP 155.A O no hydrogen 2.680 N/A ARG 159.A NE ASP 143.A O no hydrogen 2.867 N/A ARG 159.A NH2 GLU 144.A O no hydrogen 3.205 N/A CYS 161.A N SER 158.A O no hydrogen 3.055 N/A CYS 161.A SG ALA 154.A O no hydrogen 3.206 N/A CYS 161.A SG ASP 155.A O no hydrogen 3.301 N/A ALA 162.A N ARG 159.A O no hydrogen 3.148 N/A LEU 163.A N SER 149.A O no hydrogen 2.810 N/A CYS 164.A N CYS 161.A O no hydrogen 3.095 N/A ALA 165.A N GLU 180.A OE2 no hydrogen 3.028 N/A GLY 166.A N GLU 180.A OE1 no hydrogen 2.886 N/A ASP 167.A N LEU 171.A O no hydrogen 2.893 N/A GLN 169.A N ASP 167.A OD1 no hydrogen 2.838 N/A GLY 170.A N ASP 167.A O no hydrogen 2.950 N/A LEU 171.A N ASP 167.A OD1 no hydrogen 2.944 N/A CYS 174.A N GLU 180.A OE1 no hydrogen 2.767 N/A CYS 174.A SG ALA 151.A O no hydrogen 3.474 N/A CYS 174.A SG ALA 154.A O no hydrogen 4.022 N/A VAL 175.A N ASP 172.A O no hydrogen 3.203 N/A ASN 177.A ND2 SER 34.A O no hydrogen 3.038 N/A SER 178.A OG GLU 12.A OE1 no hydrogen 2.675 N/A LYS 179.A N ASN 177.A OD1 no hydrogen 2.818 N/A LYS 179.A NZ ASP 167.A OD2 no hydrogen 2.723 N/A LYS 179.A NZ ASP 172.A OD2 no hydrogen 2.503 N/A GLU 180.A N ASN 177.A O no hydrogen 3.011 N/A LYS 181.A N GLY 166.A O no hydrogen 3.026 N/A TYR 182.A N GLU 180.A OE2 no hydrogen 2.903 N/A TYR 182.A OH GLU 194.A OE1 no hydrogen 2.541 N/A TYR 183.A N GLU 180.A O no hydrogen 3.218 N/A GLY 184.A N THR 118.A O no hydrogen 2.869 N/A TYR 185.A OH HIS 254.A NE2 no hydrogen 2.837 N/A THR 186.A OG1 THR 295.A O no hydrogen 2.914 N/A GLY 187.A N TYR 183.A O no hydrogen 3.075 N/A ALA 188.A N GLY 184.A O no hydrogen 2.904 N/A PHE 189.A N TYR 185.A O no hydrogen 3.129 N/A ARG 190.A N THR 186.A O no hydrogen 2.909 N/A ARG 190.A NE GLU 194.A OE2 no hydrogen 2.634 N/A ARG 190.A NH2 GLU 194.A OE2 no hydrogen 3.285 N/A CYS 191.A N GLY 187.A O no hydrogen 2.967 N/A LEU 192.A N ALA 188.A O no hydrogen 3.272 N/A ALA 193.A N PHE 189.A O no hydrogen 2.875 N/A GLU 194.A N ARG 190.A O no hydrogen 2.946 N/A ASP 195.A N LEU 192.A O no hydrogen 2.920 N/A VAL 196.A N CYS 191.A O no hydrogen 3.017 N/A GLY 197.A N CYS 191.A O no hydrogen 3.202 N/A ASP 198.A N LYS 114.A O no hydrogen 2.691 N/A VAL 199.A N LYS 114.A O no hydrogen 3.109 N/A ALA 200.A N VAL 97.A O no hydrogen 2.951 N/A PHE 201.A N CYS 116.A O no hydrogen 2.959 N/A VAL 202.A N VAL 95.A O no hydrogen 3.318 N/A ASN 204.A N LEU 93.A O no hydrogen 2.863 N/A THR 206.A N LYS 203.A O no hydrogen 3.300 N/A GLU 209.A N ASP 205.A O no hydrogen 2.932 N/A ASN 210.A N VAL 207.A O no hydrogen 3.381 N/A ASN 210.A ND2 THR 206.A O no hydrogen 2.828 N/A THR 211.A OG1 VAL 207.A O no hydrogen 2.742 N/A ASN 212.A N LEU 223.A O no hydrogen 2.709 N/A GLU 214.A N THR 211.A O no hydrogen 3.344 N/A THR 216.A OG1 SER 215.A O no hydrogen 2.439 N/A ALA 217.A N SER 215.A OG no hydrogen 3.049 N/A ALA 220.A N ALA 217.A O no hydrogen 2.939 N/A LYS 221.A N ALA 217.A O no hydrogen 2.750 N/A LEU 223.A N ALA 220.A O no hydrogen 3.010 N/A ARG 225.A N ASN 212.A OD1 no hydrogen 2.786 N/A ARG 225.A NE THR 211.A OG1 no hydrogen 2.911 N/A ARG 225.A NH2 TRP 208.A O no hydrogen 2.929 N/A ASP 227.A N LYS 224.A O no hydrogen 3.014 N/A PHE 228.A N ARG 225.A O no hydrogen 3.133 N/A ARG 229.A N VAL 98.A O no hydrogen 2.939 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 3.256 N/A ARG 229.A NH1 PHE 228.A O no hydrogen 3.042 N/A ARG 229.A NH2 GLU 226.A OE1 no hydrogen 3.169 N/A ARG 229.A NH2 GLU 226.A OE2 no hydrogen 3.401 N/A LEU 230.A N LYS 238.A O no hydrogen 2.879 N/A LEU 231.A N ALA 96.A O no hydrogen 2.889 N/A CYS 232.A N THR 236.A O no hydrogen 3.030 N/A CYS 232.A SG THR 236.A O no hydrogen 3.639 N/A GLY 235.A N CYS 232.A O no hydrogen 3.282 N/A THR 236.A N ASP 234.A OD1 no hydrogen 3.285 N/A ARG 237.A NH1 ASN 102.A O no hydrogen 2.942 N/A ARG 237.A NH1 LEU 105.A O no hydrogen 2.674 N/A ARG 237.A NH2 LYS 99.A O no hydrogen 3.547 N/A ARG 237.A NH2 ASN 102.A O no hydrogen 3.560 N/A LYS 238.A N LEU 230.A O no hydrogen 3.083 N/A THR 241.A OG1 GLU 242.A OE1 no hydrogen 3.002 N/A GLU 242.A N PRO 239.A O no hydrogen 2.971 N/A SER 245.A N GLU 242.A O no hydrogen 3.031 N/A SER 245.A OG GLU 242.A O no hydrogen 3.156 N/A CYS 246.A N ALA 243.A O no hydrogen 3.379 N/A CYS 246.A SG LEU 230.A O no hydrogen 3.772 N/A HIS 247.A ND1 ALA 243.A O no hydrogen 2.660 N/A LEU 248.A N ALA 94.A O no hydrogen 2.773 N/A ALA 251.A N TYR 92.A O no hydrogen 2.541 N/A ASN 253.A ND2 GLU 72.A O no hydrogen 2.768 N/A HIS 254.A NE2 TYR 92.A OH no hydrogen 3.118 N/A ALA 255.A N LEU 53.A O no hydrogen 2.956 N/A VAL 256.A N LEU 70.A O no hydrogen 2.796 N/A VAL 257.A N LEU 51.A O no hydrogen 2.934 N/A SER 258.A N VAL 67.A O no hydrogen 3.118 N/A SER 258.A OG ARG 259.A O no hydrogen 3.258 N/A ARG 259.A NE ASP 261.A OD1 no hydrogen 2.995 N/A ARG 259.A NH1 LEU 44.A O no hydrogen 2.905 N/A ARG 259.A NH2 ASP 261.A OD2 no hydrogen 2.796 N/A ARG 262.A N ARG 259.A O no hydrogen 2.745 N/A ARG 262.A NE ASP 49.A OD1 no hydrogen 2.766 N/A ARG 262.A NH2 ARG 3.A O no hydrogen 3.445 N/A ARG 262.A NH2 ASP 49.A OD1 no hydrogen 3.287 N/A ARG 262.A NH2 ASP 49.A OD2 no hydrogen 3.187 N/A ALA 263.A N SER 260.A O no hydrogen 3.289 N/A HIS 265.A N ARG 262.A O no hydrogen 3.150 N/A VAL 266.A N ARG 262.A O no hydrogen 2.985 N/A GLU 267.A N ALA 263.A O no hydrogen 2.911 N/A GLN 268.A N ALA 264.A O no hydrogen 3.237 N/A VAL 269.A N HIS 265.A O no hydrogen 3.201 N/A LEU 270.A N VAL 266.A O no hydrogen 3.000 N/A LEU 271.A N GLU 267.A O no hydrogen 3.045 N/A HIS 272.A N GLN 268.A O no hydrogen 3.347 N/A GLN 273.A N VAL 269.A O no hydrogen 2.787 N/A GLN 274.A N LEU 270.A O no hydrogen 2.930 N/A GLN 274.A NE2 LEU 307.A O no hydrogen 3.016 N/A ALA 275.A N LEU 271.A O no hydrogen 3.265 N/A LEU 276.A N GLN 273.A O no hydrogen 3.214 N/A PHE 277.A N GLN 273.A O no hydrogen 2.916 N/A GLY 278.A N GLN 274.A O no hydrogen 2.779 N/A GLY 281.A N GLY 278.A O no hydrogen 2.995 N/A LYS 282.A N ALA 275.A O no hydrogen 3.231 N/A ASN 283.A N LEU 276.A O no hydrogen 2.782 N/A CYS 284.A N GLY 281.A O no hydrogen 3.288 N/A LYS 287.A N ASN 283.A O no hydrogen 2.664 N/A LYS 287.A NZ GLN 23.A OE1 no hydrogen 3.312 N/A PHE 288.A N ASN 283.A O no hydrogen 2.977 N/A LEU 290.A N PHE 277.A O no hydrogen 2.940 N/A LYS 292.A N CYS 289.A O no hydrogen 3.375 N/A LYS 292.A NZ PHE 291.A O no hydrogen 3.246 N/A LYS 292.A NZ ASP 302.A O no hydrogen 3.491 N/A SER 293.A OG ASP 302.A OD1 no hydrogen 2.777 N/A THR 295.A OG1 ASN 210.A OD1 no hydrogen 3.216 N/A LYS 296.A N SER 293.A O no hydrogen 3.131 N/A LYS 296.A NZ GLU 12.A OE2 no hydrogen 3.101 N/A LEU 298.A N SER 293.A OG no hydrogen 3.173 N/A LEU 299.A N GLU 13.A OE2 no hydrogen 2.998 N/A PHE 300.A N LEU 298.A O no hydrogen 2.715 N/A ASN 301.A N GLU 72.A OE2 no hydrogen 2.980 N/A ASN 301.A ND2 GLU 72.A OE1 no hydrogen 2.646 N/A ASN 301.A ND2 HIS 254.A ND1 no hydrogen 3.513 N/A ASN 303.A ND2 GLU 209.A OE2 no hydrogen 2.906 N/A THR 304.A N ASN 301.A O no hydrogen 3.251 N/A THR 304.A OG1 ASN 301.A O no hydrogen 2.777 N/A GLU 305.A N ASN 73.A O no hydrogen 2.859 N/A CYS 306.A N ASN 73.A O no hydrogen 3.134 N/A LEU 307.A N GLN 274.A OE1 no hydrogen 2.825 N/A ALA 308.A N ALA 71.A O no hydrogen 2.725 N/A LYS 309.A N VAL 85.A O no hydrogen 2.873 N/A THR 315.A N GLU 318.A OE1 no hydrogen 2.759 N/A THR 315.A OG1 GLU 318.A OE1 no hydrogen 3.340 N/A GLU 318.A N THR 315.A OG1 no hydrogen 3.305 N/A TYR 319.A N THR 315.A O no hydrogen 2.856 N/A TYR 319.A OH ASN 253.A O no hydrogen 2.719 N/A LEU 320.A N TYR 316.A O no hydrogen 3.074 N/A GLY 321.A N GLU 317.A O no hydrogen 2.841 N/A VAL 325.A N GLY 321.A O no hydrogen 3.112 N/A THR 326.A N THR 322.A O no hydrogen 3.290 N/A THR 326.A OG1 THR 322.A O no hydrogen 2.995 N/A THR 326.A OG1 GLU 323.A O no hydrogen 3.086 N/A ALA 327.A N GLU 323.A O no hydrogen 3.315 N/A ILE 328.A N TYR 324.A O no hydrogen 3.035 N/A ALA 329.A N VAL 325.A O no hydrogen 3.093 N/A ASN 330.A N THR 326.A O no hydrogen 2.981 N/A ASN 330.A ND2 THR 326.A O no hydrogen 2.937 N/A LEU 331.A N ALA 327.A O no hydrogen 3.113 N/A LYS 332.A N ILE 328.A O no hydrogen 2.778 N/A LYS 333.A N ALA 329.A O no hydrogen 3.227 N/A CYS 334.A N LEU 331.A O no hydrogen 3.015 N/A SER 335.A N LYS 332.A O no hydrogen 3.082 N/A