Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4dfu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 2.A OH PRO 46.A O no hydrogen 2.578 N/A THR 3.A N GLN 6.A OE1 no hydrogen 3.124 N/A THR 3.A OG1 GLN 6.A OE1 no hydrogen 3.225 N/A GLN 6.A N THR 3.A OG1 no hydrogen 3.159 N/A VAL 7.A N THR 3.A O no hydrogen 2.990 N/A GLU 8.A N PHE 4.A O no hydrogen 2.973 N/A LYS 9.A N ASP 5.A O no hydrogen 2.995 N/A ALA 10.A N GLN 6.A O no hydrogen 2.887 N/A ILE 11.A N VAL 7.A O no hydrogen 2.947 N/A GLU 12.A N GLU 8.A O no hydrogen 2.817 N/A GLN 13.A N LYS 9.A O no hydrogen 3.170 N/A LEU 14.A N ILE 11.A O no hydrogen 3.082 N/A TYR 15.A N ILE 11.A O no hydrogen 2.819 N/A TYR 15.A OH THR 79.A O no hydrogen 3.427 N/A PHE 18.A N TYR 15.A O no hydrogen 2.953 N/A ASN 21.A N ASN 38.A OD1 no hydrogen 2.621 N/A THR 22.A N ASN 38.A OD1 no hydrogen 3.179 N/A GLU 24.A N GLU 36.A O no hydrogen 3.115 N/A SER 26.A N ALA 34.A O no hydrogen 2.756 N/A GLY 27.A N ALA 34.A O no hydrogen 3.367 N/A GLY 29.A N CYS 32.A O no hydrogen 2.846 N/A ILE 33.A N PHE 45.A O no hydrogen 2.892 N/A ALA 34.A N GLY 27.A O no hydrogen 2.906 N/A TYR 35.A N PHE 43.A O no hydrogen 2.702 N/A GLU 36.A N GLU 24.A O no hydrogen 2.846 N/A ILE 37.A N PHE 41.A O no hydrogen 2.907 N/A ASN 38.A N THR 22.A O no hydrogen 2.945 N/A ASN 38.A ND2 THR 19.A O no hydrogen 2.739 N/A ASP 40.A N ILE 37.A O no hydrogen 3.034 N/A PHE 41.A N ILE 37.A O no hydrogen 3.132 N/A ILE 42.A N PHE 91.A O no hydrogen 2.817 N/A PHE 43.A N TYR 35.A O no hydrogen 2.683 N/A LYS 44.A N ALA 89.A O no hydrogen 2.717 N/A LYS 44.A NZ GLU 58.A OE1 no hydrogen 2.787 N/A LYS 44.A NZ ASP 212.A OD1 no hydrogen 2.680 N/A PHE 45.A N ILE 33.A O no hydrogen 2.946 N/A LYS 47.A N ASP 31.A O no hydrogen 2.853 N/A LYS 47.A NZ GLU 28.A OE2 no hydrogen 2.893 N/A LYS 47.A NZ GLY 29.A O no hydrogen 2.832 N/A HIS 48.A NE2 ASN 30.A O no hydrogen 2.821 N/A SER 49.A OG THR 84.A O no hydrogen 2.573 N/A ARG 50.A NH1 GLU 273.A OE1 no hydrogen 2.909 N/A ARG 50.A NH2 GLU 273.A OE1 no hydrogen 3.408 N/A GLY 51.A N HIS 48.A ND1 no hydrogen 2.842 N/A SER 52.A N HIS 48.A O no hydrogen 2.980 N/A SER 52.A OG SER 49.A O no hydrogen 2.401 N/A THR 53.A N SER 49.A O no hydrogen 3.335 N/A THR 53.A N ARG 50.A O no hydrogen 3.118 N/A THR 53.A OG1 ARG 50.A O no hydrogen 2.885 N/A ASN 54.A ND2 GLY 214.A O no hydrogen 3.023 N/A LEU 55.A N GLY 51.A O no hydrogen 3.045 N/A PHE 56.A N SER 52.A O no hydrogen 2.884 N/A ASN 57.A N THR 53.A O no hydrogen 2.913 N/A ASN 57.A ND2 GLY 214.A O no hydrogen 3.126 N/A ASN 57.A ND2 ALA 216.A O no hydrogen 2.764 N/A GLU 58.A N ASN 54.A O no hydrogen 2.905 N/A VAL 59.A N LEU 55.A O no hydrogen 3.129 N/A ASN 60.A N.A PHE 56.A O no hydrogen 3.207 N/A ASN 60.A N.B PHE 56.A O no hydrogen 3.163 N/A ILE 61.A N ASN 57.A O no hydrogen 2.993 N/A LEU 62.A N GLU 58.A O no hydrogen 2.873 N/A LYS 63.A N VAL 59.A O no hydrogen 3.100 N/A ARG 64.A N ASN 60.A O.A no hydrogen 3.175 N/A ARG 64.A N ASN 60.A O.B no hydrogen 3.288 N/A ARG 64.A NH2 GLY 133.A O no hydrogen 2.952 N/A ILE 65.A N ILE 61.A O no hydrogen 3.078 N/A LYS 68.A N ILE 65.A O no hydrogen 3.002 N/A GLU 75.A N THR 92.A OG1 no hydrogen 2.892 N/A VAL 77.A N GLY 90.A O no hydrogen 2.809 N/A PHE 78.A N GLY 90.A O no hydrogen 2.952 N/A THR 79.A N TYR 15.A OH no hydrogen 2.967 N/A GLY 80.A N PHE 88.A O no hydrogen 2.691 N/A SER 82.A N TYR 85.A O no hydrogen 2.671 N/A SER 82.A OG TYR 85.A O no hydrogen 3.454 N/A THR 84.A N SER 82.A OG no hydrogen 2.984 N/A THR 84.A OG1 GLU 83.A OE2 no hydrogen 3.432 N/A TYR 85.A N SER 82.A OG no hydrogen 2.599 N/A GLN 86.A N SER 52.A OG no hydrogen 3.027 N/A ALA 89.A N LYS 44.A O no hydrogen 3.040 N/A GLY 90.A N PHE 78.A O no hydrogen 2.744 N/A PHE 91.A N ILE 42.A O no hydrogen 2.749 N/A THR 92.A N GLU 75.A O no hydrogen 2.917 N/A THR 92.A OG1 GLU 75.A O no hydrogen 3.568 N/A LYS 93.A N ASP 40.A O no hydrogen 2.979 N/A LYS 93.A NZ GLU 36.A OE1 no hydrogen 2.627 N/A LYS 95.A NZ ARG 39.A O no hydrogen 3.063 N/A VAL 97.A N PHE 200.A O no hydrogen 3.132 N/A LEU 99.A N ILE 198.A O no hydrogen 2.784 N/A THR 100.A N PRO 98.A O no hydrogen 2.943 N/A LEU 103.A N THR 100.A OG1 no hydrogen 2.962 N/A LEU 104.A N THR 100.A O no hydrogen 2.925 N/A ASN 105.A N PRO 101.A O no hydrogen 3.075 N/A ASN 105.A ND2 PRO 101.A O no hydrogen 3.348 N/A ASN 106.A N LEU 103.A O no hydrogen 3.165 N/A LEU 107.A N LEU 104.A O no hydrogen 3.106 N/A GLN 112.A N PRO 108.A O no hydrogen 3.054 N/A GLN 112.A NE2 LEU 107.A O no hydrogen 2.888 N/A ASN 113.A N LYS 109.A O no hydrogen 3.008 N/A GLN 114.A N GLN 110.A O no hydrogen 2.812 N/A GLN 114.A NE2 ASP 118.A OD1 no hydrogen 3.136 N/A ALA 115.A N SER 111.A O no hydrogen 2.822 N/A ALA 116.A N GLN 112.A O no hydrogen 2.898 N/A LYS 117.A N ASN 113.A O no hydrogen 2.991 N/A ASP 118.A N GLN 114.A O no hydrogen 2.786 N/A LEU 119.A N ALA 115.A O no hydrogen 2.966 N/A ALA 120.A N ALA 116.A O no hydrogen 3.049 N/A ARG 121.A N LYS 117.A O no hydrogen 3.017 N/A PHE 122.A N ASP 118.A O no hydrogen 2.993 N/A LEU 123.A N LEU 119.A O no hydrogen 2.888 N/A SER 124.A N ALA 120.A O no hydrogen 2.755 N/A GLU 125.A N ARG 121.A O no hydrogen 3.003 N/A LEU 126.A N PHE 122.A O no hydrogen 2.904 N/A HIS 127.A N LEU 123.A O no hydrogen 2.819 N/A HIS 127.A ND1 TYR 245.A OH no hydrogen 2.471 N/A HIS 127.A NE2 ASP 224.A OD2 no hydrogen 2.851 N/A SER 128.A N GLU 125.A O no hydrogen 3.044 N/A SER 128.A OG SER 124.A O no hydrogen 2.433 N/A ILE 129.A N LEU 126.A O no hydrogen 3.098 N/A SER 132.A N ASN 130.A OD1 no hydrogen 3.225 N/A SER 132.A OG ASN 130.A OD1 no hydrogen 3.553 N/A LYS 135.A NZ ASN 60.A OD1.A no hydrogen 2.923 N/A LEU 140.A N ILE 218.A O no hydrogen 2.730 N/A PHE 142.A N TYR 184.A OH no hydrogen 3.229 N/A GLU 144.A N ASP 141.A OD2 no hydrogen 2.859 N/A LYS 145.A N ASP 141.A O no hydrogen 2.999 N/A ILE 146.A N PHE 142.A O no hydrogen 2.905 N/A ASN 147.A N ARG 143.A O no hydrogen 3.131 N/A GLU 148.A N GLU 144.A O no hydrogen 3.124 N/A ASP 149.A N LYS 145.A O no hydrogen 2.783 N/A ASN 150.A N ILE 146.A O no hydrogen 2.700 N/A LYS 151.A N ASN 147.A O no hydrogen 3.011 N/A LYS 152.A N GLU 148.A O no hydrogen 2.990 N/A LYS 152.A NZ GLU 273.A OE2 no hydrogen 2.802 N/A ILE 153.A N ASP 149.A O no hydrogen 2.772 N/A LYS 154.A N ASN 150.A O no hydrogen 2.958 N/A LYS 155.A N LYS 151.A O no hydrogen 2.971 N/A LEU 156.A N LYS 152.A O no hydrogen 2.830 N/A LEU 157.A N ILE 153.A O no hydrogen 2.752 N/A GLU 160.A N LEU 157.A O no hydrogen 3.028 N/A LEU 161.A N LEU 157.A O no hydrogen 3.117 N/A LYS 162.A N GLN 165.A OE1 no hydrogen 2.880 N/A LYS 167.A N PRO 164.A O no hydrogen 3.149 N/A LYS 167.A NZ ILE 286.A O no hydrogen 3.554 N/A LYS 167.A NZ SER 288.A O no hydrogen 2.280 N/A LYS 167.A NZ ILE 289.A O no hydrogen 3.456 N/A VAL 168.A N GLN 165.A O no hydrogen 3.254 N/A ASP 170.A N LYS 166.A O no hydrogen 2.937 N/A PHE 171.A N LYS 167.A O no hydrogen 3.065 N/A TYR 172.A N VAL 168.A O no hydrogen 3.059 N/A TYR 172.A OH TYR 262.A OH no hydrogen 2.726 N/A ARG 173.A N ASP 169.A O no hydrogen 2.753 N/A ARG 173.A NH2 ASP 170.A OD1 no hydrogen 2.956 N/A ASP 174.A N ASP 170.A O no hydrogen 2.661 N/A ILE 175.A N PHE 171.A O no hydrogen 2.936 N/A LEU 176.A N TYR 172.A O no hydrogen 3.001 N/A GLU 177.A N ARG 173.A O no hydrogen 3.023 N/A ASN 178.A N ILE 175.A O no hydrogen 3.067 N/A ASN 178.A ND2 GLU 255.A OE2 no hydrogen 2.977 N/A TYR 181.A N ASN 178.A O no hydrogen 3.445 N/A PHE 182.A N GLU 179.A O no hydrogen 3.019 N/A CYS 187.A N SER 219.A O no hydrogen 2.859 N/A CYS 187.A SG HIS 127.A O no hydrogen 3.424 N/A CYS 187.A SG TYR 185.A O no hydrogen 3.374 N/A ILE 189.A N ALA 217.A O no hydrogen 2.795 N/A HIS 190.A N ASP 224.A OD2 no hydrogen 3.035 N/A HIS 190.A NE2 ILE 211.A O no hydrogen 2.907 N/A ASN 191.A N ASP 224.A OD1 no hydrogen 2.844 N/A ASN 191.A ND2 ASP 215.A O no hydrogen 3.241 N/A ASP 192.A N HIS 190.A ND1 no hydrogen 3.151 N/A SER 194.A OG ASP 192.A O no hydrogen 3.549 N/A SER 194.A OG ASP 196.A OD1 no hydrogen 2.408 N/A SER 195.A N GLU 233.A OE1 no hydrogen 2.883 N/A SER 195.A OG GLU 233.A OE1 no hydrogen 2.981 N/A HIS 197.A N SER 194.A O no hydrogen 2.853 N/A HIS 197.A ND1 ASP 192.A O no hydrogen 2.812 N/A ILE 198.A N SER 195.A O no hydrogen 3.271 N/A LEU 199.A N GLY 209.A O no hydrogen 2.874 N/A PHE 200.A N VAL 97.A O no hydrogen 2.532 N/A ASP 201.A N THR 206.A O no hydrogen 2.933 N/A GLU 203.A N ASP 201.A OD1 no hydrogen 2.770 N/A LYS 204.A N ASP 201.A OD1 no hydrogen 3.124 N/A LYS 204.A NZ ASP 201.A OD2 no hydrogen 3.296 N/A THR 206.A N ASP 201.A O no hydrogen 3.245 N/A CYS 208.A N LEU 199.A O no hydrogen 2.809 N/A CYS 208.A SG LYS 95.A O no hydrogen 3.463 N/A ILE 210.A N PRO 72.A O no hydrogen 2.941 N/A ILE 211.A N HIS 197.A O no hydrogen 2.948 N/A PHE 213.A N GLU 58.A OE2 no hydrogen 2.753 N/A ALA 216.A N PHE 213.A O no hydrogen 2.845 N/A ALA 217.A N ILE 189.A O no hydrogen 3.172 N/A ILE 218.A N LEU 138.A O no hydrogen 2.690 N/A SER 219.A N CYS 187.A O no hydrogen 2.823 N/A SER 219.A OG LEU 140.A O no hydrogen 2.685 N/A ASP 222.A N ASP 220.A OD1 no hydrogen 3.030 N/A ASN 223.A N ASP 220.A O no hydrogen 3.012 N/A ASN 223.A ND2 ASN 191.A OD1 no hydrogen 3.045 N/A ASP 224.A N PRO 221.A O no hydrogen 3.073 N/A PHE 225.A N ASP 222.A O no hydrogen 2.958 N/A ILE 226.A N ASP 222.A O no hydrogen 3.081 N/A SER 227.A N ASN 223.A O no hydrogen 3.157 N/A SER 227.A OG PHE 193.A O no hydrogen 2.391 N/A SER 227.A OG ASN 223.A O no hydrogen 3.324 N/A LEU 228.A N PHE 225.A O no hydrogen 2.836 N/A TYR 234.A N LEU 228.A O no hydrogen 3.045 N/A TYR 234.A OH LEU 99.A O no hydrogen 2.441 N/A VAL 238.A N GLY 235.A O no hydrogen 3.237 N/A LYS 240.A N GLU 236.A O no hydrogen 3.329 N/A LYS 240.A NZ HIS 244.A NE2 no hydrogen 2.718 N/A ILE 241.A N PHE 237.A O no hydrogen 3.222 N/A LEU 242.A N VAL 238.A O no hydrogen 2.823 N/A ASN 243.A N SER 239.A O no hydrogen 3.165 N/A HIS 244.A N LYS 240.A O no hydrogen 3.362 N/A TYR 245.A N ILE 241.A O no hydrogen 3.119 N/A TYR 245.A OH HIS 127.A ND1 no hydrogen 2.471 N/A LYS 246.A N ASN 243.A O no hydrogen 3.107 N/A HIS 247.A N LEU 242.A O no hydrogen 3.029 N/A HIS 247.A NE2 ASP 222.A OD1 no hydrogen 2.864 N/A ASP 249.A N HIS 247.A ND1 no hydrogen 3.070 N/A THR 252.A OG1 ASP 249.A OD2 no hydrogen 2.450 N/A VAL 253.A N ASP 249.A O no hydrogen 3.297 N/A LEU 254.A N ILE 250.A O no hydrogen 2.970 N/A GLU 255.A N PRO 251.A O no hydrogen 2.796 N/A LYS 256.A N THR 252.A O no hydrogen 2.930 N/A LYS 256.A NZ ASP 220.A OD1 no hydrogen 3.504 N/A LYS 256.A NZ ASP 220.A OD2 no hydrogen 2.658 N/A LYS 256.A NZ ASP 222.A OD2 no hydrogen 2.806 N/A TYR 257.A N VAL 253.A O no hydrogen 2.928 N/A ARG 258.A N LEU 254.A O no hydrogen 3.066 N/A LYS 259.A NZ GLU 266.A OE1 no hydrogen 3.463 N/A GLU 260.A N TYR 257.A O no hydrogen 2.947 N/A LYS 261.A N ARG 258.A O no hydrogen 3.226 N/A TYR 262.A OH ASP 149.A OD2 no hydrogen 2.691 N/A TYR 262.A OH TYR 172.A OH no hydrogen 2.726 N/A TRP 263.A N GLU 260.A O no hydrogen 3.396 N/A SER 264.A OG GLU 285.A OE1 no hydrogen 2.578 N/A GLU 266.A N TYR 262.A O no hydrogen 3.315 N/A LYS 267.A N TRP 263.A O no hydrogen 2.916 N/A LYS 267.A NZ GLU 281.A OE2 no hydrogen 2.724 N/A LYS 267.A NZ GLU 285.A OE2 no hydrogen 2.608 N/A ILE 268.A N SER 264.A O no hydrogen 3.162 N/A ILE 269.A N PHE 265.A O no hydrogen 3.056 N/A TYR 270.A N GLU 266.A O no hydrogen 2.676 N/A GLY 271.A N LYS 267.A O no hydrogen 2.972 N/A LYS 272.A N ILE 268.A O no hydrogen 2.874 N/A GLU 273.A N ILE 269.A O no hydrogen 2.888 N/A TYR 274.A N TYR 270.A O no hydrogen 3.023 N/A TYR 274.A OH ASP 31.A OD1 no hydrogen 2.669 N/A TYR 276.A N GLY 271.A O no hydrogen 2.858 N/A TYR 279.A N TYR 276.A O no hydrogen 3.189 N/A TYR 279.A OH GLU 160.A OE1 no hydrogen 2.762 N/A GLU 281.A N ASP 277.A O no hydrogen 3.160 N/A GLY 282.A N TRP 278.A O no hydrogen 2.951 N/A LEU 283.A N TYR 279.A O no hydrogen 2.818 N/A ASN 284.A N GLU 280.A O no hydrogen 2.917 N/A GLU 285.A N GLU 281.A O no hydrogen 2.865 N/A ILE 286.A N GLY 282.A O no hydrogen 2.876 N/A ARG 287.A N LEU 283.A O no hydrogen 3.070 N/A ARG 287.A NH2 GLU 160.A O no hydrogen 2.748 N/A SER 288.A N GLU 285.A O no hydrogen 2.996 N/A SER 288.A OG ASN 284.A O no hydrogen 3.219 N/A