Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1bug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ASP 295.A OD2 no hydrogen 3.085 N/A LYS 10.A N GLU 7.A O no hydrogen 3.077 N/A LYS 10.A NZ GLU 7.A OE2 no hydrogen 2.948 N/A CYS 11.A SG GLY 95.A O no hydrogen 3.342 N/A VAL 12.A N GLY 95.A O no hydrogen 2.854 N/A ALA 16.A N GLY 94.A O no hydrogen 2.662 N/A ASP 17.A N ASN 93.A O no hydrogen 3.048 N/A ALA 22.A N PRO 19.A O no hydrogen 3.057 N/A VAL 23.A N TYR 262.A OH no hydrogen 2.853 N/A CYS 28.A SG ASN 26.A OD1 no hydrogen 3.867 N/A ASN 34.A ND2 GLN 309.A OE1 no hydrogen 3.345 N/A VAL 36.A N ALA 310.A O no hydrogen 2.858 N/A TYR 38.A N LYS 312.A O no hydrogen 2.832 N/A TYR 38.A OH TYR 123.A OH no hydrogen 2.774 N/A LYS 39.A NZ ASP 37.A O no hydrogen 3.487 N/A ARG 49.A N LYS 327.A O no hydrogen 2.773 N/A ARG 49.A NE GLU 126.A OE1 no hydrogen 3.243 N/A ARG 49.A NE GLU 126.A OE2 no hydrogen 2.625 N/A ARG 49.A NH2 GLU 126.A OE1 no hydrogen 2.911 N/A ALA 52.A N PHE 142.A O no hydrogen 2.795 N/A THR 54.A N ALA 52.A O no hydrogen 2.578 N/A THR 54.A OG1 ALA 51.A O no hydrogen 3.137 N/A MET 55.A N ALA 52.A O no hydrogen 3.014 N/A ILE 60.A N ASP 56.A O no hydrogen 2.849 N/A ALA 61.A N LYS 57.A O no hydrogen 2.737 N/A LYS 62.A N ASP 58.A O no hydrogen 3.301 N/A LYS 62.A NZ ASP 135.A OD2 no hydrogen 2.563 N/A PHE 63.A N ALA 59.A O no hydrogen 3.236 N/A ALA 64.A N ILE 60.A O no hydrogen 2.900 N/A LYS 65.A N ALA 61.A O no hydrogen 2.916 N/A LYS 65.A NZ GLU 68.A OE2 no hydrogen 3.229 N/A ALA 66.A N LYS 62.A O no hydrogen 2.992 N/A VAL 67.A N PHE 63.A O no hydrogen 3.098 N/A GLU 68.A N ALA 64.A O no hydrogen 2.820 N/A LEU 69.A N LYS 65.A O no hydrogen 2.999 N/A MET 70.A N ALA 66.A O no hydrogen 2.978 N/A LYS 71.A N VAL 67.A O no hydrogen 2.874 N/A LYS 71.A NZ SER 163.A O no hydrogen 2.684 N/A ALA 72.A N GLU 68.A O no hydrogen 3.019 N/A LEU 73.A N MET 70.A O no hydrogen 3.393 N/A ASP 77.A N PRO 74.A O no hydrogen 3.072 N/A ARG 79.A N ASP 77.A OD1 no hydrogen 3.474 N/A ARG 79.A NE ASP 77.A OD1 no hydrogen 3.248 N/A ASN 80.A N ASP 77.A O no hydrogen 3.146 N/A PHE 81.A N MET 70.A O no hydrogen 3.101 N/A GLN 83.A NE2 ALA 75.A O no hydrogen 2.963 N/A GLN 84.A N ASN 80.A O no hydrogen 2.918 N/A GLN 84.A NE2 PRO 78.A O no hydrogen 2.594 N/A ALA 85.A N TYR 82.A O no hydrogen 2.842 N/A LEU 86.A N TYR 82.A O no hydrogen 2.987 N/A LEU 86.A N GLN 83.A O no hydrogen 2.736 N/A VAL 87.A N GLN 83.A O no hydrogen 3.341 N/A HIS 88.A N ALA 85.A O no hydrogen 3.154 N/A HIS 88.A ND1 PHE 261.A O no hydrogen 2.733 N/A CYS 89.A N ALA 85.A O no hydrogen 3.450 N/A ALA 90.A N LEU 86.A O no hydrogen 2.676 N/A TYR 91.A N VAL 87.A O no hydrogen 3.015 N/A TYR 91.A OH LEU 302.A O no hydrogen 2.769 N/A CYS 92.A N CYS 89.A O no hydrogen 3.191 N/A CYS 92.A SG HIS 88.A O no hydrogen 3.138 N/A ASN 93.A N CYS 89.A O no hydrogen 2.839 N/A ASN 93.A ND2 CYS 89.A O no hydrogen 2.792 N/A GLY 95.A N ALA 90.A O no hydrogen 2.884 N/A GLN 98.A N GLN 104.A O no hydrogen 2.823 N/A GLN 98.A NE2 GLU 105.A O no hydrogen 3.275 N/A GLN 98.A NE2 ASP 226.A O no hydrogen 3.219 N/A PHE 101.A N GLN 98.A O no hydrogen 3.065 N/A GLN 104.A N PHE 101.A O no hydrogen 2.747 N/A ILE 106.A N TYR 96.A O no hydrogen 3.040 N/A GLN 107.A N TYR 222.A OH no hydrogen 3.103 N/A GLN 107.A NE2 CYS 92.A O no hydrogen 3.432 N/A GLN 107.A NE2 GLU 105.A OE2 no hydrogen 3.461 N/A VAL 108.A N TYR 91.A O no hydrogen 3.474 N/A HIS 109.A N GLN 107.A OE1 no hydrogen 3.251 N/A HIS 109.A ND1 GLN 107.A OE1 no hydrogen 3.031 N/A HIS 109.A NE2 HIS 88.A NE2 no hydrogen 3.293 N/A ASN 110.A N GLU 236.A OE2 no hydrogen 2.867 N/A ASN 110.A ND2 SER 229.A OG no hydrogen 3.148 N/A SER 111.A OG VAL 108.A O no hydrogen 2.830 N/A SER 111.A OG HIS 109.A O no hydrogen 3.157 N/A TRP 112.A N LYS 220.A O no hydrogen 2.817 N/A TRP 112.A NE1 TYR 222.A O no hydrogen 3.097 N/A PHE 114.A N SER 111.A O no hydrogen 2.865 N/A PHE 117.A N LEU 113.A O no hydrogen 2.945 N/A HIS 118.A N PHE 114.A O no hydrogen 3.303 N/A HIS 118.A ND1 PHE 114.A O no hydrogen 2.740 N/A ARG 119.A N PHE 115.A O no hydrogen 2.914 N/A ARG 119.A NE ASP 278.A OD2 no hydrogen 2.930 N/A ARG 119.A NH1 SER 318.A O no hydrogen 2.934 N/A ARG 119.A NH2 ASP 278.A OD1 no hydrogen 3.184 N/A ARG 119.A NH2 ASP 278.A OD2 no hydrogen 3.472 N/A TRP 120.A N PRO 116.A O no hydrogen 3.217 N/A TRP 120.A N PHE 117.A O no hydrogen 3.045 N/A TYR 121.A N PHE 117.A O no hydrogen 2.973 N/A TYR 121.A OH GLN 84.A O no hydrogen 2.756 N/A LEU 122.A N HIS 118.A O no hydrogen 2.896 N/A TYR 123.A N ARG 119.A O no hydrogen 3.068 N/A TYR 123.A OH TYR 38.A OH no hydrogen 2.774 N/A PHE 124.A N TRP 120.A O no hydrogen 3.258 N/A TYR 125.A N TYR 121.A O no hydrogen 3.041 N/A GLU 126.A N LEU 122.A O no hydrogen 2.762 N/A ARG 127.A N TYR 123.A O no hydrogen 3.232 N/A ILE 128.A N PHE 124.A O no hydrogen 2.809 N/A LEU 129.A N TYR 125.A O no hydrogen 3.295 N/A GLY 130.A N GLU 126.A O no hydrogen 3.188 N/A LYS 131.A N ARG 127.A O no hydrogen 3.389 N/A LEU 132.A N ILE 128.A O no hydrogen 2.814 N/A ILE 133.A N LEU 129.A O no hydrogen 3.051 N/A GLY 134.A N LYS 131.A O no hydrogen 2.796 N/A ASP 135.A N GLY 130.A O no hydrogen 3.006 N/A SER 137.A OG ASP 135.A OD1 no hydrogen 3.092 N/A PHE 138.A N ASP 135.A O no hydrogen 2.875 N/A LEU 140.A N GLU 126.A OE2 no hydrogen 2.745 N/A PHE 142.A N PRO 50.A O no hydrogen 2.880 N/A TRP 143.A N CYS 272.A O no hydrogen 3.049 N/A TRP 143.A NE1 GLY 150.A O no hydrogen 2.961 N/A TRP 145.A N TRP 143.A O no hydrogen 2.663 N/A ASN 147.A N ASN 144.A O no hydrogen 3.115 N/A ASN 147.A ND2 ASN 144.A OD1 no hydrogen 3.367 N/A GLY 149.A N ASN 147.A OD1 no hydrogen 3.382 N/A GLY 150.A N ASN 147.A O no hydrogen 2.853 N/A VAL 152.A N GLY 150.A O no hydrogen 2.727 N/A LEU 157.A N PRO 154.A O no hydrogen 2.815 N/A THR 161.A N ASP 159.A OD1 no hydrogen 3.193 N/A THR 161.A OG1 ASP 159.A OD1 no hydrogen 3.165 N/A SER 162.A N ASP 159.A O no hydrogen 2.775 N/A SER 163.A OG ALA 64.A O no hydrogen 2.710 N/A TYR 165.A N SER 162.A O no hydrogen 3.050 N/A ASN 168.A N ASP 166.A OD1 no hydrogen 3.016 N/A ASN 168.A ND2 ASP 166.A OD1 no hydrogen 2.887 N/A ASN 168.A ND2 ASP 257.A OD2 no hydrogen 3.123 N/A ARG 169.A N SER 167.A O no hydrogen 2.849 N/A ARG 169.A NE ASP 267.A OD2 no hydrogen 2.984 N/A ARG 169.A NH2 LEU 164.A O no hydrogen 2.855 N/A ARG 169.A NH2 ASP 267.A OD1 no hydrogen 2.692 N/A ASN 170.A N VAL 247.A O no hydrogen 2.698 N/A GLN 171.A NE2 ARG 169.A O no hydrogen 2.844 N/A SER 172.A N ASN 170.A OD1 no hydrogen 2.886 N/A HIS 173.A N ASN 170.A O no hydrogen 2.932 N/A HIS 173.A ND1 TRP 246.A O no hydrogen 2.635 N/A HIS 173.A NE2 ASP 187.A OD1 no hydrogen 2.847 N/A HIS 173.A NE2 ASP 187.A OD2 no hydrogen 3.116 N/A VAL 177.A N LEU 174.A O no hydrogen 3.211 N/A VAL 179.A N MET 151.A O no hydrogen 2.962 N/A LEU 181.A N ASN 199.A OD1 no hydrogen 2.951 N/A GLY 182.A N ASP 180.A OD1 no hydrogen 2.738 N/A TYR 183.A N ASP 180.A O no hydrogen 3.128 N/A ALA 186.A N ASN 184.A OD1 no hydrogen 3.043 N/A THR 188.A OG1 ASP 180.A OD2 no hydrogen 3.330 N/A GLN 194.A N THR 191.A O no hydrogen 2.889 N/A ARG 195.A N THR 191.A O no hydrogen 2.959 N/A ARG 195.A NH2 VAL 190.A O no hydrogen 3.160 N/A ILE 196.A N ASP 192.A O no hydrogen 2.767 N/A THR 197.A N GLN 193.A O no hydrogen 2.892 N/A THR 197.A OG1 GLN 193.A O no hydrogen 2.695 N/A ASP 198.A N GLN 194.A O no hydrogen 2.878 N/A ASN 199.A N ARG 195.A O no hydrogen 2.883 N/A ASN 199.A ND2 VAL 179.A O no hydrogen 2.881 N/A LEU 200.A N ILE 196.A O no hydrogen 2.994 N/A ALA 201.A N THR 197.A O no hydrogen 2.891 N/A LEU 202.A N ASP 198.A O no hydrogen 3.012 N/A LEU 202.A N ASN 199.A O no hydrogen 3.155 N/A MET 203.A N ASN 199.A O no hydrogen 3.029 N/A TYR 204.A N LEU 200.A O no hydrogen 3.221 N/A GLN 206.A N LEU 202.A O no hydrogen 2.799 N/A MET 207.A N MET 203.A O no hydrogen 2.866 N/A VAL 208.A N TYR 204.A O no hydrogen 2.675 N/A THR 209.A N TYR 204.A O no hydrogen 3.318 N/A ASN 210.A N LYS 205.A O no hydrogen 2.813 N/A ALA 211.A N VAL 208.A O no hydrogen 2.928 N/A LEU 216.A N THR 213.A OG1 no hydrogen 3.031 N/A PHE 217.A N THR 213.A O no hydrogen 3.138 N/A PHE 217.A N ALA 214.A O no hydrogen 2.992 N/A LEU 218.A N ALA 214.A O no hydrogen 2.742 N/A GLY 219.A N GLU 215.A O no hydrogen 3.105 N/A LYS 220.A N GLY 231.A O no hydrogen 3.067 N/A TYR 222.A OH GLU 105.A O no hydrogen 2.883 N/A ARG 223.A N ASP 226.A OD2 no hydrogen 2.814 N/A ARG 223.A NH1 ASP 295.A OD2 no hydrogen 3.091 N/A ARG 223.A NH2 ASP 293.A OD2 no hydrogen 3.005 N/A ALA 224.A N ALA 1.A O no hydrogen 3.165 N/A GLY 225.A N GLN 98.A OE1 no hydrogen 2.961 N/A ASP 226.A N ARG 223.A O no hydrogen 2.902 N/A GLY 231.A N ASN 110.A O no hydrogen 2.962 N/A SER 234.A N LEU 216.A O no hydrogen 3.019 N/A SER 234.A OG GLN 206.A O no hydrogen 2.940 N/A SER 234.A OG LEU 216.A O no hydrogen 3.470 N/A THR 237.A N GLY 233.A O no hydrogen 3.172 N/A THR 237.A OG1 GLY 233.A O no hydrogen 2.707 N/A SER 238.A N SER 234.A O no hydrogen 3.035 N/A HIS 240.A N ILE 235.A O no hydrogen 3.234 N/A HIS 240.A ND1 GLU 236.A O no hydrogen 3.232 N/A HIS 240.A NE2 HIS 274.A NE2 no hydrogen 2.781 N/A ILE 243.A N PRO 239.A O no hydrogen 3.266 N/A HIS 244.A NE2 HIS 240.A NE2 no hydrogen 2.923 N/A HIS 244.A NE2 HIS 274.A NE2 no hydrogen 3.343 N/A ARG 245.A N ILE 241.A O no hydrogen 2.759 N/A TRP 246.A N ILE 243.A O no hydrogen 2.981 N/A VAL 247.A N ILE 243.A O no hydrogen 3.082 N/A GLY 248.A N HIS 244.A O no hydrogen 3.075 N/A ARG 251.A N ASP 249.A OD1 no hydrogen 2.907 N/A ARG 251.A NE ASP 249.A OD1 no hydrogen 3.111 N/A ARG 251.A NE ASP 249.A OD2 no hydrogen 3.001 N/A ARG 251.A NH2 ASP 249.A OD2 no hydrogen 3.085 N/A ASN 252.A N ASP 249.A O no hydrogen 3.051 N/A ASN 252.A ND2 ASN 168.A OD1 no hydrogen 3.176 N/A ASN 252.A ND2 GLU 256.A O no hydrogen 3.660 N/A ASN 254.A N GLU 256.A OE1 no hydrogen 2.637 N/A ASN 254.A ND2 PRO 20.A O no hydrogen 3.494 N/A ASN 254.A ND2 GLU 256.A OE2 no hydrogen 2.919 N/A ASN 255.A N ASN 252.A O no hydrogen 3.285 N/A ASN 255.A ND2 GLY 248.A O no hydrogen 3.545 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.750 N/A ASP 257.A N SER 263.A OG no hydrogen 2.889 N/A ASN 260.A N ASP 257.A O no hydrogen 3.252 N/A TYR 262.A OH GLU 256.A OE2 no hydrogen 2.646 N/A SER 263.A N ASN 260.A O no hydrogen 2.781 N/A SER 263.A OG ASP 257.A O no hydrogen 3.174 N/A SER 263.A OG ASN 260.A O no hydrogen 3.188 N/A ALA 264.A N ASN 260.A O no hydrogen 2.960 N/A ARG 266.A N SER 263.A O no hydrogen 3.070 N/A ASP 267.A N ALA 264.A O no hydrogen 3.278 N/A ALA 269.A N ASP 267.A OD1 no hydrogen 2.879 N/A PHE 270.A N ASP 267.A O no hydrogen 2.984 N/A TYR 271.A N ILE 268.A O no hydrogen 2.661 N/A TYR 271.A OH TYR 121.A OH no hydrogen 2.618 N/A CYS 272.A N ILE 268.A O no hydrogen 3.402 N/A CYS 272.A SG PRO 141.A O no hydrogen 3.519 N/A HIS 273.A N ALA 269.A O no hydrogen 2.824 N/A HIS 274.A N PHE 270.A O no hydrogen 2.792 N/A HIS 274.A NE2 HIS 240.A NE2 no hydrogen 2.781 N/A SER 275.A N TYR 271.A O no hydrogen 2.871 N/A SER 275.A N CYS 272.A O no hydrogen 3.204 N/A SER 275.A OG LEU 140.A O no hydrogen 3.426 N/A ASN 276.A N CYS 272.A O no hydrogen 3.269 N/A ASN 276.A ND2 ASP 146.A OD1 no hydrogen 3.400 N/A VAL 277.A N HIS 273.A O no hydrogen 2.999 N/A ASP 278.A N HIS 274.A O no hydrogen 2.957 N/A ARG 279.A N SER 275.A O no hydrogen 2.831 N/A ARG 279.A NH2 ASP 146.A OD1 no hydrogen 2.866 N/A MET 280.A N ASN 276.A O no hydrogen 3.067 N/A MET 280.A N VAL 277.A O no hydrogen 3.005 N/A TRP 281.A N ASP 278.A O no hydrogen 2.846 N/A THR 282.A N ASP 278.A O no hydrogen 3.252 N/A ILE 283.A N ARG 279.A O no hydrogen 2.937 N/A TRP 284.A N MET 280.A O no hydrogen 2.961 N/A TRP 284.A NE1 ALA 211.A O no hydrogen 2.678 N/A GLN 285.A N TRP 281.A O no hydrogen 2.709 N/A GLN 285.A NE2 ASP 290.A OD1 no hydrogen 3.512 N/A GLN 285.A NE2 ASP 290.A OD2 no hydrogen 2.751 N/A GLN 285.A NE2 LEU 319.A O no hydrogen 3.303 N/A LEU 287.A N TRP 284.A O no hydrogen 2.811 N/A ARG 289.A NH1 TRP 284.A O no hydrogen 2.777 N/A ARG 289.A NH2 GLY 212.A O no hydrogen 3.391 N/A TYR 291.A OH GLY 219.A O no hydrogen 2.733 N/A TRP 296.A N ASP 293.A O no hydrogen 3.220 N/A TRP 296.A NE1 TRP 112.A O no hydrogen 2.801 N/A LEU 297.A N ASP 293.A O no hydrogen 3.326 N/A ASN 298.A N SER 294.A O no hydrogen 2.691 N/A ASN 298.A ND2 SER 294.A O no hydrogen 2.978 N/A ALA 299.A N TRP 296.A O no hydrogen 2.960 N/A THR 300.A N ILE 3.A O no hydrogen 2.774 N/A THR 300.A OG1 ASN 298.A O no hydrogen 3.047 N/A PHE 301.A N VAL 313.A O no hydrogen 2.924 N/A LEU 302.A N TYR 91.A OH no hydrogen 2.831 N/A PHE 303.A N VAL 311.A O no hydrogen 2.864 N/A TYR 304.A OH PRO 30.A O no hydrogen 3.071 N/A ASP 305.A N GLN 309.A O no hydrogen 2.970 N/A GLY 308.A N ASP 305.A O no hydrogen 2.866 N/A VAL 311.A N PHE 303.A O no hydrogen 2.723 N/A LYS 312.A N VAL 36.A O no hydrogen 2.652 N/A VAL 313.A N PHE 301.A O no hydrogen 2.990 N/A ARG 314.A NH1 ASP 317.A OD1 no hydrogen 3.036 N/A ARG 314.A NH2 ASN 298.A OD1 no hydrogen 2.917 N/A ILE 315.A N ALA 299.A O no hydrogen 3.222 N/A GLY 316.A N LEU 297.A O no hydrogen 2.746 N/A ASP 317.A N ARG 314.A O no hydrogen 2.946 N/A SER 318.A N ILE 315.A O no hydrogen 2.698 N/A SER 318.A OG ILE 315.A O no hydrogen 2.787 N/A LYS 323.A N ASP 320.A OD1 no hydrogen 2.812 N/A MET 324.A N ASP 320.A O no hydrogen 3.150 N/A GLY 325.A N GLN 322.A O no hydrogen 2.809 N/A TYR 326.A N ASN 321.A O no hydrogen 3.093 N/A TYR 326.A OH ASP 278.A OD1 no hydrogen 2.923 N/A TYR 326.A OH TYR 328.A OH no hydrogen 3.147 N/A LYS 327.A N LYS 47.A O no hydrogen 2.972 N/A TYR 328.A OH ASP 278.A OD1 no hydrogen 2.574 N/A TYR 328.A OH TYR 326.A OH no hydrogen 3.147 N/A THR 331.A OG1 ALA 329.A O no hydrogen 2.655 N/A TRP 335.A NE1 ASP 146.A OD2 no hydrogen 3.011 N/A LEU 336.A N LEU 333.A O no hydrogen 2.906 N/A