Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gdm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLY 225.A O no hydrogen 2.629 N/A LYS 1.A NZ ASP 227.A OD1 no hydrogen 3.010 N/A LYS 1.A NZ ASP 227.A OD2 no hydrogen 3.127 N/A THR 3.A N GLU 6.A OE1 no hydrogen 3.009 N/A TYR 4.A N TYR 257.A OH no hydrogen 2.891 N/A GLU 6.A N THR 3.A OG1 no hydrogen 2.998 N/A ARG 7.A N THR 3.A O no hydrogen 2.940 N/A ARG 7.A NE ASP 194.A OD1 no hydrogen 2.894 N/A ARG 7.A NE ASP 194.A OD2 no hydrogen 3.294 N/A ARG 7.A NH1 ASP 227.A OD1 no hydrogen 2.866 N/A ARG 7.A NH2 ASP 194.A OD1 no hydrogen 2.876 N/A ARG 7.A NH2 ASP 227.A OD2 no hydrogen 3.062 N/A ALA 8.A N TYR 4.A O no hydrogen 2.951 N/A ALA 9.A N GLU 6.A O no hydrogen 3.099 N/A THR 10.A OG1 GLU 6.A O no hydrogen 3.472 N/A HIS 11.A N ARG 7.A O no hydrogen 3.032 N/A HIS 11.A NE2 ASP 194.A O no hydrogen 2.794 N/A SER 13.A N HIS 11.A ND1 no hydrogen 2.979 N/A SER 13.A OG ASP 175.A O no hydrogen 3.140 N/A ALA 17.A N SER 13.A O no hydrogen 2.912 N/A LYS 18.A N PRO 14.A O no hydrogen 2.938 N/A LEU 19.A N VAL 15.A O no hydrogen 3.024 N/A PHE 20.A N ALA 16.A O no hydrogen 2.934 N/A ASN 21.A N ALA 17.A O no hydrogen 3.070 N/A ILE 22.A N LYS 18.A O no hydrogen 3.013 N/A MET 23.A N LEU 19.A O no hydrogen 2.931 N/A HIS 24.A N PHE 20.A O no hydrogen 2.940 N/A GLU 25.A N ASN 21.A O no hydrogen 2.835 N/A LYS 26.A N ILE 22.A O no hydrogen 2.963 N/A LYS 26.A NZ GLY 50.A O no hydrogen 2.833 N/A LYS 26.A NZ ILE 53.A O no hydrogen 2.659 N/A LYS 26.A NZ TYR 82.A O no hydrogen 2.823 N/A LYS 26.A NZ ASN 83.A O no hydrogen 3.029 N/A THR 28.A N MET 23.A O no hydrogen 3.094 N/A THR 28.A OG1 LYS 52.A O no hydrogen 2.738 N/A ASN 29.A ND2 TYR 4.A OH no hydrogen 3.023 N/A ASN 29.A ND2 GLY 253.A O no hydrogen 3.070 N/A LEU 30.A N THR 28.A OG1 no hydrogen 3.102 N/A CYS 31.A N ILE 229.A O no hydrogen 2.829 N/A ALA 32.A N LEU 55.A O no hydrogen 3.032 N/A SER 33.A N VAL 231.A O no hydrogen 2.828 N/A VAL 36.A N LEU 34.A O no hydrogen 2.827 N/A ARG 37.A NE ILE 62.A O no hydrogen 2.665 N/A THR 39.A N ASP 65.A OD2 no hydrogen 3.017 N/A THR 39.A OG1 ASP 65.A O no hydrogen 3.455 N/A THR 39.A OG1 ASP 65.A OD2 no hydrogen 2.762 N/A THR 39.A OG1 THR 71.A OG1 no hydrogen 2.851 N/A LYS 40.A NZ GLU 44.A OE1 no hydrogen 3.552 N/A GLU 41.A N THR 38.A OG1 no hydrogen 3.304 N/A LEU 42.A N THR 38.A O no hydrogen 2.993 N/A LEU 43.A N THR 39.A O no hydrogen 2.885 N/A GLU 44.A N LYS 40.A O no hydrogen 3.137 N/A LEU 45.A N GLU 41.A O no hydrogen 2.945 N/A VAL 46.A N LEU 42.A O no hydrogen 2.841 N/A GLU 47.A N LEU 43.A O no hydrogen 3.034 N/A ALA 48.A N GLU 44.A O no hydrogen 3.169 N/A LEU 49.A N LEU 45.A O no hydrogen 2.988 N/A GLY 50.A N VAL 46.A O no hydrogen 2.720 N/A LYS 52.A N LEU 49.A O no hydrogen 2.820 N/A LYS 52.A NZ GLU 247.A OE2 no hydrogen 3.003 N/A ILE 53.A N GLY 50.A O no hydrogen 3.499 N/A CYS 54.A N LEU 30.A O no hydrogen 2.925 N/A CYS 54.A SG THR 28.A O no hydrogen 2.623 N/A CYS 54.A SG THR 28.A OG1 no hydrogen 3.199 N/A CYS 54.A SG LEU 30.A O no hydrogen 3.566 N/A LEU 56.A N LEU 85.A O no hydrogen 2.940 N/A LYS 57.A N ALA 32.A O no hydrogen 2.842 N/A LYS 57.A NZ ASP 89.A OD2 no hydrogen 2.841 N/A THR 58.A N PHE 87.A O no hydrogen 2.723 N/A THR 58.A OG1 PHE 87.A O no hydrogen 3.449 N/A THR 58.A OG1 GLU 88.A OE1 no hydrogen 2.703 N/A VAL 60.A N GLU 88.A OE1 no hydrogen 3.146 N/A VAL 60.A N GLU 88.A OE2 no hydrogen 3.320 N/A ILE 62.A N HIS 59.A O no hydrogen 3.205 N/A LEU 63.A N VAL 60.A O no hydrogen 3.310 N/A THR 64.A N ARG 37.A O no hydrogen 2.747 N/A THR 64.A OG1 ARG 37.A O no hydrogen 3.137 N/A SER 67.A N THR 71.A OG1 no hydrogen 3.209 N/A GLY 70.A N SER 67.A OG no hydrogen 2.764 N/A THR 71.A N SER 67.A O no hydrogen 2.851 N/A THR 71.A OG1 THR 39.A OG1 no hydrogen 2.851 N/A VAL 72.A N SER 67.A O no hydrogen 3.325 N/A LYS 73.A N MET 68.A O no hydrogen 2.911 N/A LEU 75.A N THR 71.A O no hydrogen 3.015 N/A LYS 76.A N VAL 72.A O no hydrogen 2.815 N/A LYS 76.A NZ TRP 113.A O no hydrogen 2.920 N/A ALA 77.A N LYS 73.A O no hydrogen 3.048 N/A LEU 78.A N PRO 74.A O no hydrogen 3.006 N/A SER 79.A N LEU 75.A O no hydrogen 2.937 N/A SER 79.A OG LEU 75.A O no hydrogen 3.267 N/A SER 79.A OG LYS 76.A O no hydrogen 2.502 N/A ALA 80.A N LYS 76.A O no hydrogen 2.967 N/A LYS 81.A N ALA 77.A O no hydrogen 2.844 N/A LYS 81.A NZ TYR 82.A OH no hydrogen 3.142 N/A TYR 82.A N LEU 78.A O no hydrogen 2.851 N/A TYR 82.A OH GLU 47.A OE1 no hydrogen 2.874 N/A PHE 84.A N SER 79.A O no hydrogen 3.134 N/A LEU 85.A N CYS 54.A O no hydrogen 3.104 N/A LEU 86.A N ASP 115.A OD2 no hydrogen 2.782 N/A PHE 87.A N LEU 56.A O no hydrogen 2.859 N/A GLU 88.A N ILE 116.A O no hydrogen 2.944 N/A ASP 89.A N THR 58.A O no hydrogen 2.931 N/A ARG 90.A NH1 ARG 90.A O no hydrogen 3.020 N/A ARG 91.A N ASN 118.A OD1 no hydrogen 2.803 N/A ARG 91.A NE ASP 89.A OD1 no hydrogen 3.055 N/A PHE 92.A N ASN 118.A O no hydrogen 3.123 N/A ILE 95.A N ASP 94.A OD1 no hydrogen 2.737 N/A LYS 100.A N GLY 96.A O no hydrogen 3.271 N/A LYS 100.A NZ GLN 133.A OE1 no hydrogen 2.736 N/A LYS 100.A NZ GLU 137.A OE1 no hydrogen 2.775 N/A LEU 101.A N ASN 97.A O no hydrogen 3.004 N/A GLN 102.A N THR 98.A O no hydrogen 2.939 N/A TYR 103.A N VAL 99.A O no hydrogen 3.098 N/A TYR 103.A N LYS 100.A O no hydrogen 3.184 N/A SER 104.A N LYS 100.A O no hydrogen 2.801 N/A SER 104.A OG LYS 100.A O no hydrogen 3.039 N/A ALA 105.A N LEU 101.A O no hydrogen 2.806 N/A ARG 109.A N ALA 105.A O no hydrogen 2.921 N/A ALA 111.A N TYR 103.A O no hydrogen 2.765 N/A GLU 112.A N ARG 109.A O no hydrogen 2.944 N/A TRP 113.A N ILE 110.A O no hydrogen 3.054 N/A TRP 113.A NE1 TYR 108.A O no hydrogen 2.882 N/A ALA 114.A N ILE 110.A O no hydrogen 2.835 N/A ILE 116.A N LEU 86.A O no hydrogen 2.897 N/A THR 117.A N GLY 144.A O no hydrogen 3.175 N/A THR 117.A OG1 GLU 88.A O no hydrogen 2.835 N/A ASN 118.A ND2 ASP 89.A OD1 no hydrogen 2.672 N/A ALA 119.A N LEU 146.A O no hydrogen 2.997 N/A HIS 120.A N PHE 92.A O no hydrogen 3.028 N/A GLY 124.A N GLY 121.A O no hydrogen 2.943 N/A ILE 127.A N GLY 124.A O no hydrogen 3.319 N/A VAL 128.A N PRO 125.A O no hydrogen 2.936 N/A SER 129.A OG GLY 126.A O no hydrogen 3.280 N/A GLY 130.A N GLY 126.A O no hydrogen 2.856 N/A LEU 131.A N ILE 127.A O no hydrogen 3.014 N/A LYS 132.A N VAL 128.A O no hydrogen 3.083 N/A LYS 132.A NZ ASP 173.A OD2 no hydrogen 2.637 N/A GLN 133.A N SER 129.A O no hydrogen 3.058 N/A ALA 134.A N GLY 130.A O no hydrogen 3.053 N/A ALA 135.A N LEU 131.A O no hydrogen 2.972 N/A GLU 136.A N LYS 132.A O no hydrogen 3.089 N/A GLU 137.A N GLN 133.A O no hydrogen 3.009 N/A GLU 137.A N ALA 134.A O no hydrogen 3.225 N/A VAL 138.A N ALA 135.A O no hydrogen 3.162 N/A THR 139.A N ALA 135.A O no hydrogen 3.027 N/A GLU 141.A N THR 139.A OG1 no hydrogen 3.136 N/A ARG 143.A NE ALA 111.A O no hydrogen 2.799 N/A ARG 143.A NH1 PRO 142.A O no hydrogen 2.879 N/A ARG 143.A NH2 ALA 111.A O no hydrogen 3.059 N/A GLY 144.A N ASP 115.A O no hydrogen 2.955 N/A LEU 145.A N PHE 176.A O no hydrogen 2.830 N/A LEU 146.A N THR 117.A O no hydrogen 2.861 N/A MET 147.A N GLY 179.A O no hydrogen 2.948 N/A LEU 148.A N ALA 119.A O no hydrogen 2.972 N/A SER 156.A N CYS 153.A O no hydrogen 3.169 N/A SER 156.A OG LEU 151.A O no hydrogen 3.172 N/A SER 156.A OG CYS 153.A O no hydrogen 3.079 N/A THR 159.A N LEU 157.A O no hydrogen 2.841 N/A TYR 162.A N THR 159.A OG1 no hydrogen 3.187 N/A THR 163.A N THR 159.A O no hydrogen 2.780 N/A THR 163.A OG1 ALA 149.A O no hydrogen 2.882 N/A THR 163.A OG1 THR 159.A O no hydrogen 3.049 N/A LYS 164.A N GLY 160.A O no hydrogen 2.954 N/A GLY 165.A N GLU 161.A O no hydrogen 3.056 N/A THR 166.A N TYR 162.A O no hydrogen 2.940 N/A THR 166.A OG1 TYR 162.A O no hydrogen 3.081 N/A VAL 167.A N THR 163.A O no hydrogen 2.864 N/A ASP 168.A N LYS 164.A O no hydrogen 2.896 N/A ILE 169.A N GLY 165.A O no hydrogen 3.064 N/A ALA 170.A N THR 166.A O no hydrogen 2.889 N/A LYS 171.A N VAL 167.A O no hydrogen 2.928 N/A LYS 171.A NZ GLU 191.A OE2 no hydrogen 3.075 N/A SER 172.A N ILE 169.A O no hydrogen 2.983 N/A SER 172.A OG ILE 169.A O no hydrogen 2.701 N/A ASP 173.A N ALA 170.A O no hydrogen 3.425 N/A ASP 175.A N ASP 173.A OD1 no hydrogen 2.841 N/A PHE 176.A N ASP 173.A O no hydrogen 3.368 N/A PHE 176.A N ASP 173.A OD1 no hydrogen 2.975 N/A VAL 177.A N ASP 173.A O no hydrogen 2.868 N/A ILE 178.A N LEU 145.A O no hydrogen 2.942 N/A PHE 180.A N LEU 196.A O no hydrogen 2.945 N/A ILE 181.A N MET 147.A O no hydrogen 3.287 N/A ALA 182.A N MET 198.A O no hydrogen 2.970 N/A ARG 184.A NH2 GLU 150.A OE2 no hydrogen 3.564 N/A GLY 187.A N ASP 185.A OD2 no hydrogen 2.788 N/A ARG 189.A NH1 ASP 185.A OD1 no hydrogen 2.837 N/A ARG 189.A NH1 ASP 185.A OD2 no hydrogen 3.239 N/A ARG 189.A NH2 ASP 185.A OD2 no hydrogen 2.844 N/A GLU 191.A N GLY 188.A O no hydrogen 3.189 N/A GLY 192.A N ARG 189.A O no hydrogen 3.097 N/A TYR 193.A N GLY 188.A O no hydrogen 2.932 N/A TYR 193.A OH LYS 171.A O no hydrogen 2.869 N/A LEU 196.A N ILE 178.A O no hydrogen 2.832 N/A ILE 197.A N ASP 227.A OD2 no hydrogen 2.968 N/A MET 198.A N PHE 180.A O no hydrogen 3.017 N/A THR 199.A N ILE 228.A O no hydrogen 2.900 N/A THR 199.A OG1 ALA 182.A O no hydrogen 2.722 N/A THR 199.A OG1 SER 226.A OG no hydrogen 2.580 N/A GLY 203.A N ARG 216.A O no hydrogen 2.760 N/A ASP 209.A N ASP 206.A O no hydrogen 3.078 N/A GLY 212.A N ASP 209.A OD1 no hydrogen 3.076 N/A GLN 213.A N ASP 209.A O no hydrogen 2.999 N/A GLN 213.A NE2 ASP 206.A O no hydrogen 2.951 N/A GLN 214.A N LEU 211.A O no hydrogen 3.139 N/A TYR 215.A N GLY 212.A O no hydrogen 3.172 N/A ARG 216.A N GLY 201.A O no hydrogen 3.186 N/A ARG 216.A NE ASP 220.A OD1 no hydrogen 3.188 N/A ARG 216.A NH1 GLN 183.A O no hydrogen 2.844 N/A ARG 216.A NH2 ASP 220.A OD2 no hydrogen 3.481 N/A VAL 218.A N GLY 203.A O no hydrogen 3.007 N/A ASP 220.A N THR 217.A OG1 no hydrogen 3.052 N/A VAL 221.A N THR 217.A O no hydrogen 3.146 N/A VAL 222.A N VAL 218.A O no hydrogen 3.011 N/A SER 223.A N ASP 219.A O no hydrogen 2.862 N/A SER 223.A OG ASP 219.A O no hydrogen 2.880 N/A SER 223.A OG ASP 220.A O no hydrogen 3.033 N/A THR 224.A N VAL 221.A O no hydrogen 3.210 N/A THR 224.A OG1 ASP 220.A O no hydrogen 2.757 N/A GLY 225.A N VAL 222.A O no hydrogen 3.281 N/A SER 226.A N VAL 221.A O no hydrogen 2.974 N/A SER 226.A OG THR 199.A OG1 no hydrogen 2.580 N/A SER 226.A OG VAL 221.A O no hydrogen 3.051 N/A ASP 227.A N ILE 197.A O no hydrogen 2.825 N/A ILE 228.A N ILE 197.A O no hydrogen 3.092 N/A ILE 229.A N ASN 29.A O no hydrogen 2.923 N/A ILE 230.A N THR 199.A O no hydrogen 2.873 N/A VAL 231.A N CYS 31.A O no hydrogen 2.895 N/A LEU 235.A N GLY 232.A O no hydrogen 2.845 N/A PHE 236.A N ARG 233.A O no hydrogen 3.052 N/A ALA 237.A N ARG 233.A O no hydrogen 2.831 N/A ARG 240.A N ALA 237.A O no hydrogen 3.096 N/A ARG 240.A NE ARG 233.A O no hydrogen 3.524 N/A ARG 240.A NE GLY 234.A O no hydrogen 3.136 N/A ARG 240.A NH2 ARG 233.A O no hydrogen 3.318 N/A LYS 243.A N ASP 241.A OD2 no hydrogen 2.996 N/A VAL 244.A N ASP 241.A OD2 no hydrogen 3.450 N/A GLU 245.A N ASP 241.A O no hydrogen 2.862 N/A GLY 246.A N ALA 242.A O no hydrogen 2.737 N/A GLU 247.A N LYS 243.A O no hydrogen 3.049 N/A ARG 248.A N VAL 244.A O no hydrogen 2.978 N/A ARG 248.A NH1 ASP 206.A OD2 no hydrogen 3.388 N/A ARG 248.A NH1 GLU 245.A OE2 no hydrogen 3.096 N/A ARG 248.A NH2 ASP 206.A OD1 no hydrogen 2.271 N/A ARG 248.A NH2 ASP 206.A OD2 no hydrogen 3.141 N/A TYR 249.A N GLU 245.A O no hydrogen 2.886 N/A ARG 250.A N GLY 246.A O no hydrogen 2.925 N/A ARG 250.A NE GLU 247.A OE2 no hydrogen 2.915 N/A ARG 250.A NH1 GLN 27.A O no hydrogen 2.804 N/A ARG 250.A NH2 GLU 247.A OE1 no hydrogen 2.903 N/A ARG 250.A NH2 GLU 247.A OE2 no hydrogen 3.500 N/A LYS 251.A N GLU 247.A O no hydrogen 2.824 N/A ALA 252.A N ARG 248.A O no hydrogen 3.060 N/A GLY 253.A N TYR 249.A O no hydrogen 2.838 N/A TRP 254.A N ARG 250.A O no hydrogen 2.922 N/A GLU 255.A N LYS 251.A O no hydrogen 2.905 N/A ALA 256.A N ALA 252.A O no hydrogen 3.041 N/A TYR 257.A N GLY 253.A O no hydrogen 3.006 N/A LEU 258.A N TRP 254.A O no hydrogen 2.853 N/A ARG 259.A N GLU 255.A O no hydrogen 3.058 N/A ARG 259.A NH2 GLU 255.A OE2 no hydrogen 3.324 N/A ARG 260.A N ALA 256.A O no hydrogen 3.147 N/A ARG 260.A NH1 VAL 222.A O no hydrogen 3.055 N/A ARG 260.A NH1 SER 226.A O no hydrogen 2.801 N/A ARG 260.A NH2 ASP 227.A OD1 no hydrogen 2.857 N/A CYS 261.A N TYR 257.A O no hydrogen 3.232 N/A CYS 261.A SG TYR 257.A O no hydrogen 3.189 N/A