Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 CYS 2.A O no hydrogen 3.220 N/A CYS 2.A SG.A GLN 1.A O no hydrogen 3.272 N/A CYS 2.A SG.B GLN 1.A O no hydrogen 2.346 N/A VAL 3.A N MET 11.A O no hydrogen 2.794 N/A LEU 5.A N HIS 9.A O no hydrogen 2.705 N/A ASN 6.A ND2 PRO 181.A O no hydrogen 2.864 N/A ASN 6.A ND2 ASP 205.A O no hydrogen 2.989 N/A GLY 8.A N LEU 5.A O no hydrogen 3.010 N/A HIS 9.A N ASP 7.A OD1 no hydrogen 3.077 N/A MET 11.A N VAL 3.A O no hydrogen 2.903 N/A GLY 15.A N VAL 262.A O no hydrogen 2.744 N/A PHE 16.A N HIS 43.A O no hydrogen 2.744 N/A GLY 17.A N ALA 264.A O no hydrogen 2.938 N/A THR 18.A N ASP 45.A O no hydrogen 3.143 N/A THR 18.A OG1 ASP 45.A O no hydrogen 2.580 N/A TYR 19.A OH GLU 219.A OE1 no hydrogen 2.465 N/A ALA 22.A N GLU 219.A OE2 no hydrogen 3.052 N/A VAL 24.A N PRO 21.A O no hydrogen 2.853 N/A LYS 26.A NZ ASN 51.A O no hydrogen 2.914 N/A LYS 26.A NZ ASN 51.A OD1 no hydrogen 2.895 N/A LYS 28.A N PRO 25.A O no hydrogen 3.253 N/A ALA 29.A N LYS 26.A O no hydrogen 2.997 N/A LEU 30.A N SER 27.A O no hydrogen 3.016 N/A GLU 31.A N SER 27.A O no hydrogen 3.382 N/A ALA 32.A N LYS 28.A O no hydrogen 3.083 N/A THR 33.A N ALA 29.A O no hydrogen 3.266 N/A THR 33.A OG1 ALA 29.A O no hydrogen 2.827 N/A LYS 34.A N LEU 30.A O no hydrogen 3.253 N/A LYS 34.A NZ GLU 31.A OE1 no hydrogen 3.447 N/A LEU 35.A N GLU 31.A O no hydrogen 2.984 N/A ALA 36.A N ALA 32.A O no hydrogen 2.811 N/A ILE 37.A N THR 33.A O no hydrogen 3.098 N/A GLU 38.A N LYS 34.A O no hydrogen 2.938 N/A ALA 39.A N LEU 35.A O no hydrogen 2.822 N/A GLY 40.A N ILE 37.A O no hydrogen 3.163 N/A PHE 41.A N ALA 36.A O no hydrogen 2.853 N/A ARG 42.A NH2 ILE 37.A O no hydrogen 2.753 N/A ARG 42.A NH2 PHE 41.A O no hydrogen 2.923 N/A HIS 43.A ND1 PRO 12.A O no hydrogen 2.803 N/A ILE 44.A N PHE 75.A O no hydrogen 2.766 N/A ASP 45.A N PHE 16.A O no hydrogen 2.889 N/A SER 46.A N THR 77.A O no hydrogen 3.131 N/A SER 46.A OG THR 18.A OG1 no hydrogen 3.288 N/A SER 46.A OG ASN 52.A OD1 no hydrogen 2.587 N/A TYR 50.A N ALA 47.A O no hydrogen 2.626 N/A ASN 51.A N HIS 48.A O no hydrogen 3.071 N/A ASN 52.A ND2 THR 18.A OG1 no hydrogen 3.360 N/A VAL 56.A N ASN 52.A O no hydrogen 2.852 N/A GLY 57.A N GLU 53.A O no hydrogen 3.334 N/A LEU 58.A N GLU 54.A O no hydrogen 3.141 N/A ALA 59.A N GLN 55.A O no hydrogen 2.944 N/A ILE 60.A N VAL 56.A O no hydrogen 2.810 N/A ARG 61.A N GLY 57.A O no hydrogen 2.830 N/A ARG 61.A NE LEU 101.A O no hydrogen 3.004 N/A SER 62.A N LEU 58.A O no hydrogen 2.912 N/A SER 62.A OG ALA 59.A O no hydrogen 3.406 N/A LYS 63.A N ALA 59.A O no hydrogen 3.324 N/A LYS 63.A N ILE 60.A O no hydrogen 3.092 N/A LYS 63.A NZ GLU 38.A OE2 no hydrogen 2.801 N/A LYS 63.A NZ ASP 66.A OD2 no hydrogen 2.975 N/A ILE 64.A N ILE 60.A O no hydrogen 3.078 N/A ALA 65.A N ARG 61.A O no hydrogen 2.951 N/A ASP 66.A N SER 62.A O no hydrogen 3.053 N/A GLY 67.A N ILE 64.A O no hydrogen 3.040 N/A SER 68.A N LYS 63.A O no hydrogen 3.018 N/A SER 68.A N ASP 66.A OD1 no hydrogen 3.103 N/A SER 68.A OG ASP 66.A OD1 no hydrogen 2.423 N/A VAL 69.A N LYS 63.A O no hydrogen 3.270 N/A LYS 70.A N ASP 73.A OD2 no hydrogen 2.917 N/A LYS 70.A NZ ASP 73.A OD1 no hydrogen 2.956 N/A LYS 70.A NZ ASP 73.A OD2 no hydrogen 3.472 N/A ARG 71.A NH1 ARG 71.A O no hydrogen 2.889 N/A ARG 71.A NH1 ILE 74.A O no hydrogen 2.940 N/A ARG 71.A NH1 ASP 107.A OD1 no hydrogen 2.939 N/A ARG 71.A NH2 TYR 105.A O no hydrogen 2.954 N/A ARG 71.A NH2 ASP 107.A OD1 no hydrogen 2.920 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.810 N/A ASP 73.A N LYS 70.A O no hydrogen 2.681 N/A ILE 74.A N ARG 71.A O no hydrogen 3.116 N/A PHE 75.A N ARG 42.A O no hydrogen 2.639 N/A TYR 76.A N ASP 107.A OD1 no hydrogen 2.898 N/A TYR 76.A OH GLU 53.A OE2 no hydrogen 2.764 N/A THR 77.A N ILE 44.A O no hydrogen 2.921 N/A SER 78.A N LEU 108.A O no hydrogen 2.835 N/A SER 78.A OG GLU 53.A OE2 no hydrogen 2.753 N/A LYS 79.A NZ ASP 45.A OD1 no hydrogen 3.346 N/A LYS 79.A NZ ASP 45.A OD2 no hydrogen 2.694 N/A LYS 79.A NZ SER 46.A O no hydrogen 3.318 N/A LYS 79.A NZ TYR 50.A OH no hydrogen 2.974 N/A LEU 80.A N LEU 110.A O no hydrogen 2.751 N/A TRP 81.A NE1 VAL 123.A O no hydrogen 2.639 N/A CYS 82.A SG PHE 113.A O no hydrogen 3.788 N/A CYS 82.A SG VAL 115.A O no hydrogen 3.109 N/A ASN 83.A ND2 GLY 120.A O no hydrogen 2.658 N/A ASN 83.A ND2 GLU 122.A O no hydrogen 3.426 N/A SER 84.A N TRP 81.A O no hydrogen 2.958 N/A SER 84.A OG ASN 83.A OD1 no hydrogen 3.535 N/A HIS 85.A ND1 SER 116.A OG no hydrogen 2.679 N/A ARG 86.A NE ASP 135.A OD2 no hydrogen 2.759 N/A ARG 86.A NH2 ASP 135.A OD1 no hydrogen 2.791 N/A ARG 86.A NH2 ASP 135.A OD2 no hydrogen 3.269 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.896 N/A LEU 89.A N ARG 86.A O no hydrogen 2.818 N/A VAL 90.A N PRO 87.A O no hydrogen 3.354 N/A ARG 91.A NE GLU 95.A OE2 no hydrogen 2.975 N/A ALA 93.A N LEU 89.A O no hydrogen 3.115 N/A LEU 94.A N VAL 90.A O no hydrogen 3.117 N/A GLU 95.A N ARG 91.A O no hydrogen 2.828 N/A ARG 96.A N PRO 92.A O no hydrogen 3.050 N/A SER 97.A N ALA 93.A O no hydrogen 3.082 N/A SER 97.A OG GLU 53.A OE1 no hydrogen 2.361 N/A SER 97.A OG GLU 53.A OE2 no hydrogen 3.390 N/A LEU 98.A N LEU 94.A O no hydrogen 2.835 N/A LYS 99.A N GLU 95.A O no hydrogen 2.959 N/A ASN 100.A N ARG 96.A O no hydrogen 2.945 N/A LEU 101.A N SER 97.A O no hydrogen 2.860 N/A GLN 102.A N LYS 99.A O no hydrogen 3.303 N/A LEU 103.A N LEU 98.A O no hydrogen 3.263 N/A VAL 106.A N LEU 154.A O no hydrogen 2.924 N/A ASP 107.A N TYR 76.A O no hydrogen 2.997 N/A LEU 108.A N TYR 76.A O no hydrogen 3.164 N/A TYR 109.A N SER 157.A O no hydrogen 3.174 N/A LEU 110.A N SER 78.A O no hydrogen 3.066 N/A ILE 111.A N GLY 159.A O no hydrogen 3.018 N/A HIS 112.A N LEU 80.A O no hydrogen 3.340 N/A SER 116.A OG HIS 85.A ND1 no hydrogen 2.679 N/A VAL 117.A N CYS 82.A O no hydrogen 2.966 N/A LYS 118.A N LEU 133.A O no hydrogen 2.843 N/A ILE 124.A N GLU 122.A OE2 no hydrogen 2.996 N/A ASP 127.A N LYS 131.A O no hydrogen 2.842 N/A ASN 129.A N ASP 127.A OD1 no hydrogen 2.863 N/A GLY 130.A N ASP 127.A O no hydrogen 2.692 N/A LYS 131.A N ASP 127.A OD1 no hydrogen 2.823 N/A LEU 133.A N PRO 125.A O no hydrogen 2.956 N/A ASP 135.A N SER 116.A O no hydrogen 2.938 N/A CYS 140.A N ASP 138.A OD1 no hydrogen 3.182 N/A CYS 140.A SG MET 170.A O no hydrogen 3.965 N/A THR 142.A N ASP 138.A O no hydrogen 3.154 N/A THR 142.A OG1 HIS 85.A O no hydrogen 2.588 N/A THR 142.A OG1 ASP 138.A O no hydrogen 3.465 N/A TRP 143.A N LEU 139.A O no hydrogen 2.754 N/A TRP 143.A NE1 TYR 179.A O no hydrogen 2.870 N/A GLU 144.A N CYS 140.A O no hydrogen 3.042 N/A ALA 145.A N ALA 141.A O no hydrogen 3.063 N/A VAL 146.A N THR 142.A O no hydrogen 2.973 N/A GLU 147.A N TRP 143.A O no hydrogen 2.858 N/A LYS 148.A N GLU 144.A O no hydrogen 3.261 N/A CYS 149.A N VAL 146.A O no hydrogen 3.059 N/A CYS 149.A SG ALA 145.A O no hydrogen 3.553 N/A LYS 150.A N GLU 147.A O no hydrogen 2.963 N/A LYS 150.A NZ ASP 7.A OD2 no hydrogen 3.287 N/A LYS 150.A NZ LYS 156.A O no hydrogen 2.839 N/A ASP 151.A N GLU 147.A O no hydrogen 3.085 N/A ALA 152.A N LYS 148.A O no hydrogen 2.915 N/A GLY 153.A N LYS 150.A O no hydrogen 3.009 N/A ALA 155.A N CYS 149.A O no hydrogen 3.300 N/A LYS 156.A N VAL 106.A O no hydrogen 2.870 N/A LYS 156.A NZ GLY 153.A O no hydrogen 2.817 N/A SER 157.A N ASP 107.A O no hydrogen 3.036 N/A SER 157.A OG ASP 7.A OD1 no hydrogen 3.298 N/A SER 157.A OG ASP 7.A OD2 no hydrogen 2.579 N/A GLY 159.A N TYR 109.A O no hydrogen 3.181 N/A VAL 160.A N CYS 183.A O no hydrogen 3.011 N/A SER 161.A N ILE 111.A O no hydrogen 2.693 N/A SER 161.A OG GLN 185.A O no hydrogen 2.464 N/A ASN 162.A N GLN 185.A O no hydrogen 2.960 N/A ASN 162.A ND2 HIS 112.A O no hydrogen 2.838 N/A PHE 163.A N ASN 184.A OD1 no hydrogen 3.349 N/A ASN 164.A N GLN 167.A OE1 no hydrogen 2.967 N/A ASN 164.A ND2 PRO 313.A O no hydrogen 2.805 N/A ARG 165.A N TYR 318.A O no hydrogen 2.864 N/A ARG 165.A NE GLU 169.A OE2 no hydrogen 2.939 N/A ARG 165.A NH1 GLU 169.A OE2 no hydrogen 3.415 N/A ARG 165.A NH2 TYR 318.A OH no hydrogen 2.915 N/A ARG 166.A NH1 ASP 316.A OD2 no hydrogen 2.962 N/A ARG 166.A NH2 PRO 310.A O no hydrogen 2.971 N/A GLN 167.A N ASN 164.A OD1 no hydrogen 3.126 N/A GLN 167.A NE2 ASN 311.A O no hydrogen 2.712 N/A LEU 168.A N ASN 164.A O no hydrogen 2.966 N/A GLU 169.A N ARG 165.A O no hydrogen 2.885 N/A MET 170.A N ARG 166.A O no hydrogen 2.971 N/A ILE 171.A N GLN 167.A O no hydrogen 3.308 N/A ILE 171.A N LEU 168.A O no hydrogen 2.945 N/A LEU 172.A N LEU 168.A O no hydrogen 2.868 N/A ASN 173.A N GLU 169.A O no hydrogen 2.748 N/A LYS 174.A N ILE 171.A O no hydrogen 3.335 N/A LYS 174.A NZ PRO 175.A O no hydrogen 3.261 N/A LEU 177.A N LYS 174.A O no hydrogen 3.254 N/A LYS 178.A N GLU 147.A OE2 no hydrogen 2.887 N/A LYS 178.A NZ ASP 151.A OD2 no hydrogen 2.814 N/A TYR 179.A N GLU 147.A OE2 no hydrogen 2.906 N/A TYR 179.A OH ASP 151.A OD1 no hydrogen 2.268 N/A LYS 180.A NZ LYS 204.A O no hydrogen 2.659 N/A VAL 182.A N ILE 158.A O no hydrogen 2.864 N/A ASN 184.A N VAL 207.A O no hydrogen 2.970 N/A ASN 184.A ND2 PHE 163.A O no hydrogen 2.808 N/A GLN 185.A N VAL 160.A O no hydrogen 3.000 N/A VAL 186.A N VAL 209.A O no hydrogen 2.851 N/A CYS 188.A N TYR 211.A O no hydrogen 3.175 N/A CYS 188.A SG PHE 192.A O no hydrogen 3.891 N/A CYS 188.A SG ASN 193.A O no hydrogen 3.296 N/A CYS 188.A SG GLN 255.A OE1 no hydrogen 3.761 N/A HIS 189.A N PHE 192.A O no hydrogen 3.368 N/A HIS 189.A NE2 GLU 187.A OE2 no hydrogen 2.776 N/A TYR 191.A N HIS 189.A ND1 no hydrogen 3.166 N/A TYR 191.A OH ASP 233.A OD2 no hydrogen 2.525 N/A ASN 193.A N ASN 295.A OD1 no hydrogen 2.949 N/A GLN 194.A NE2 GLU 187.A O no hydrogen 2.722 N/A ARG 195.A N ASN 193.A OD1 no hydrogen 3.176 N/A ARG 195.A NH1 ASP 199.A OD1 no hydrogen 2.889 N/A LYS 196.A NZ GLU 317.A OE2 no hydrogen 3.054 N/A LEU 198.A N GLN 194.A O no hydrogen 2.619 N/A ASP 199.A N ARG 195.A O no hydrogen 2.827 N/A PHE 200.A N LYS 196.A O no hydrogen 3.225 N/A CYS 201.A N LEU 197.A O no hydrogen 2.960 N/A CYS 201.A SG LEU 197.A O no hydrogen 3.446 N/A LYS 202.A N LEU 198.A O no hydrogen 3.039 N/A SER 203.A N ASP 199.A O no hydrogen 2.973 N/A SER 203.A OG PHE 200.A O no hydrogen 2.720 N/A LYS 204.A N CYS 201.A O no hydrogen 3.068 N/A LYS 204.A NZ SER 203.A OG no hydrogen 2.563 N/A ASP 205.A N LYS 202.A O no hydrogen 3.039 N/A ILE 206.A N CYS 201.A O no hydrogen 2.917 N/A VAL 207.A N VAL 182.A O no hydrogen 2.945 N/A VAL 209.A N ASN 184.A O no hydrogen 3.239 N/A ALA 210.A N VAL 261.A O no hydrogen 2.815 N/A TYR 211.A N VAL 186.A O no hydrogen 2.836 N/A TYR 211.A OH ASN 162.A OD1 no hydrogen 2.917 N/A GLY 215.A N SER 212.A O no hydrogen 3.240 N/A SER 216.A OG GLY 215.A O no hydrogen 2.573 N/A ARG 218.A N SER 216.A OG no hydrogen 3.048 N/A ARG 218.A NH1 SER 227.A O no hydrogen 3.254 N/A ARG 218.A NH1 PRO 228.A O no hydrogen 3.309 N/A ARG 218.A NH2 SER 227.A O no hydrogen 2.854 N/A GLU 219.A N HIS 217.A ND1 no hydrogen 3.040 N/A VAL 223.A N GLU 219.A O no hydrogen 2.725 N/A ASN 226.A N ASP 224.A OD1 no hydrogen 2.855 N/A SER 227.A N ASP 224.A O no hydrogen 3.071 N/A SER 227.A OG ASP 224.A O no hydrogen 2.757 N/A LEU 230.A N TYR 300.A OH no hydrogen 3.276 N/A GLU 232.A N VAL 229.A O no hydrogen 2.956 N/A ASP 233.A N LEU 230.A O no hydrogen 3.149 N/A VAL 235.A N ASP 233.A OD1 no hydrogen 3.026 N/A LEU 236.A N ASP 233.A OD1 no hydrogen 3.206 N/A CYS 237.A N ASP 233.A O no hydrogen 2.993 N/A CYS 237.A SG.B LEU 231.A O no hydrogen 3.793 N/A CYS 237.A SG.B ASP 233.A O no hydrogen 3.170 N/A ALA 238.A N PRO 234.A O no hydrogen 2.983 N/A LEU 239.A N VAL 235.A O no hydrogen 2.903 N/A ALA 240.A N LEU 236.A O no hydrogen 2.877 N/A LYS 241.A N CYS 237.A O no hydrogen 3.012 N/A LYS 242.A N ALA 238.A O no hydrogen 2.941 N/A HIS 243.A N LEU 239.A O no hydrogen 3.300 N/A HIS 243.A ND1 LEU 239.A O no hydrogen 2.784 N/A LYS 244.A N LYS 241.A O no hydrogen 3.416 N/A ARG 245.A N ALA 240.A O no hydrogen 2.779 N/A LEU 249.A N THR 246.A OG1 no hydrogen 3.338 N/A ILE 250.A N THR 246.A O no hydrogen 3.102 N/A ALA 251.A N PRO 247.A O no hydrogen 3.038 N/A LEU 252.A N ALA 248.A O no hydrogen 2.976 N/A ARG 253.A N LEU 249.A O no hydrogen 3.089 N/A ARG 253.A NE GLN 257.A OE1 no hydrogen 2.990 N/A ARG 253.A NH1 VAL 278.A O no hydrogen 3.000 N/A TYR 254.A N ILE 250.A O no hydrogen 3.067 N/A TYR 254.A OH ASP 292.A OD1 no hydrogen 2.777 N/A LEU 256.A N LEU 252.A O no hydrogen 3.283 N/A GLN 257.A N ARG 253.A O no hydrogen 3.045 N/A GLN 257.A NE2 LEU 283.A O no hydrogen 2.880 N/A ARG 258.A N GLN 255.A O no hydrogen 3.181 N/A ARG 258.A NH1 ASN 193.A O no hydrogen 2.691 N/A ARG 258.A NH1 GLN 255.A OE1 no hydrogen 3.137 N/A ARG 258.A NH2 ASN 193.A O no hydrogen 2.851 N/A GLY 259.A N LEU 256.A O no hydrogen 3.306 N/A VAL 260.A N GLN 255.A O no hydrogen 2.999 N/A VAL 261.A N LEU 208.A O no hydrogen 3.057 N/A VAL 262.A N VAL 13.A O no hydrogen 2.870 N/A LEU 263.A N ALA 210.A O no hydrogen 3.093 N/A ALA 264.A N GLY 15.A O no hydrogen 2.884 N/A SER 266.A OG ASN 268.A O no hydrogen 3.142 N/A TYR 267.A OH THR 18.A O no hydrogen 2.778 N/A ASN 268.A N SER 266.A OG no hydrogen 2.895 N/A ARG 271.A N ASN 268.A OD1 no hydrogen 2.900 N/A ILE 272.A N ASN 268.A O no hydrogen 2.922 N/A ARG 273.A N GLU 269.A O no hydrogen 3.287 N/A GLN 274.A N GLN 270.A O no hydrogen 3.066 N/A ASN 275.A N ARG 271.A O no hydrogen 2.916 N/A GLN 277.A N GLN 274.A O no hydrogen 3.073 N/A GLU 280.A N GLN 277.A O no hydrogen 3.147 N/A LEU 283.A N GLN 257.A OE1 no hydrogen 2.653 N/A THR 284.A N GLU 287.A OE2 no hydrogen 3.068 N/A GLU 287.A N THR 284.A OG1 no hydrogen 3.020 N/A MET 288.A N THR 284.A O no hydrogen 3.039 N/A LYS 289.A N SER 285.A O no hydrogen 2.886 N/A ALA 290.A N GLU 286.A O no hydrogen 3.065 N/A ILE 291.A N GLU 287.A O no hydrogen 3.095 N/A ASP 292.A N MET 288.A O no hydrogen 2.913 N/A GLY 293.A N LYS 289.A O no hydrogen 3.182 N/A GLY 293.A N ALA 290.A O no hydrogen 3.188 N/A LEU 294.A N ILE 291.A O no hydrogen 3.094 N/A ASN 295.A N ASP 292.A O no hydrogen 3.410 N/A ARG 296.A N TYR 191.A O no hydrogen 2.612 N/A ASN 297.A N TYR 191.A O no hydrogen 3.147 N/A TYR 300.A N GLU 187.A OE2 no hydrogen 2.686 N/A TYR 300.A OH PRO 228.A O no hydrogen 2.736 N/A LEU 301.A N GLU 187.A OE1 no hydrogen 2.813 N/A ASP 304.A N THR 302.A OG1 no hydrogen 3.178 N/A PHE 306.A N VAL 303.A O no hydrogen 2.751 N/A ALA 307.A N ASP 304.A O no hydrogen 2.974 N/A TYR 312.A N PRO 309.A O no hydrogen 2.907 N/A TYR 312.A OH THR 302.A O no hydrogen 2.585 N/A