Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N ASP 31.A OD2 no hydrogen 2.812 N/A GLY 6.A N TYR 245.A O no hydrogen 2.828 N/A ILE 7.A N PHE 32.A O no hydrogen 3.185 N/A TYR 8.A N ILE 247.A O no hydrogen 3.110 N/A GLU 9.A N GLU 34.A O no hydrogen 3.000 N/A LYS 10.A NZ ASP 38.A OD2 no hydrogen 2.697 N/A ALA 11.A N TYR 8.A O no hydrogen 2.932 N/A LEU 12.A N GLU 9.A O no hydrogen 3.123 N/A ARG 21.A N CYS 17.A O no hydrogen 3.220 N/A ARG 21.A NH2 PRO 13.A O no hydrogen 3.180 N/A LEU 22.A N TRP 18.A O no hydrogen 2.862 N/A GLN 23.A N LEU 19.A O no hydrogen 2.931 N/A LEU 24.A N GLU 20.A O no hydrogen 2.819 N/A ALA 25.A N ARG 21.A O no hydrogen 2.974 N/A LYS 26.A N LEU 22.A O no hydrogen 2.979 N/A LYS 26.A NZ THR 64.A O no hydrogen 2.874 N/A THR 27.A N GLN 23.A O no hydrogen 3.112 N/A THR 27.A OG1 LEU 24.A O no hydrogen 2.840 N/A LEU 28.A N LEU 24.A O no hydrogen 3.023 N/A GLY 29.A N LYS 26.A O no hydrogen 3.044 N/A PHE 30.A N ALA 25.A O no hydrogen 3.005 N/A ASP 31.A N LEU 5.A O no hydrogen 2.849 N/A VAL 33.A N ARG 67.A O no hydrogen 2.931 N/A GLU 34.A N ILE 7.A O no hydrogen 3.153 N/A MET 35.A N SER 70.A O no hydrogen 3.102 N/A SER 36.A N GLU 9.A OE1 no hydrogen 2.841 N/A VAL 37.A N CYS 72.A O no hydrogen 2.928 N/A THR 40.A N ASP 38.A OD1 no hydrogen 2.977 N/A THR 40.A OG1 ASP 38.A OD1 no hydrogen 2.648 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.771 N/A ARG 43.A N THR 40.A OG1 no hydrogen 3.174 N/A ARG 43.A NE GLU 9.A OE2 no hydrogen 3.049 N/A ARG 43.A NH1 ASP 38.A OD2 no hydrogen 3.055 N/A LEU 44.A N THR 40.A O no hydrogen 2.901 N/A SER 45.A N ASP 41.A O no hydrogen 2.899 N/A SER 45.A OG GLU 42.A O no hydrogen 2.581 N/A ARG 46.A N ARG 43.A O no hydrogen 3.140 N/A ARG 46.A NH1 GLU 9.A OE1 no hydrogen 2.580 N/A ARG 46.A NH1 GLU 9.A OE2 no hydrogen 3.315 N/A ARG 46.A NH2 GLU 9.A OE1 no hydrogen 3.467 N/A ARG 46.A NH2 GLU 9.A OE2 no hydrogen 2.721 N/A LEU 47.A N LEU 44.A O no hydrogen 3.146 N/A ASP 48.A N SER 45.A O no hydrogen 3.002 N/A TRP 49.A N ARG 46.A O no hydrogen 3.028 N/A SER 50.A N GLN 53.A OE1 no hydrogen 2.917 N/A SER 50.A OG GLN 53.A OE1 no hydrogen 3.445 N/A GLN 53.A N SER 50.A OG no hydrogen 3.115 N/A ARG 54.A N SER 50.A O no hydrogen 3.042 N/A ARG 54.A NE TRP 49.A O no hydrogen 2.771 N/A ARG 54.A NH1 ASP 105.A OD2 no hydrogen 2.707 N/A ARG 54.A NH2 LEU 47.A O no hydrogen 2.859 N/A ARG 54.A NH2 TRP 49.A O no hydrogen 3.021 N/A LEU 55.A N ARG 51.A O no hydrogen 2.925 N/A ALA 56.A N GLU 52.A O no hydrogen 2.960 N/A LEU 57.A N GLN 53.A O no hydrogen 3.243 N/A VAL 58.A N ARG 54.A O no hydrogen 3.231 N/A ASN 59.A N LEU 55.A O no hydrogen 2.969 N/A ASN 59.A ND2 LEU 55.A O no hydrogen 3.181 N/A ALA 60.A N ALA 56.A O no hydrogen 2.927 N/A ILE 61.A N LEU 57.A O no hydrogen 2.997 N/A VAL 62.A N VAL 58.A O no hydrogen 2.912 N/A GLU 63.A N ASN 59.A O no hydrogen 2.919 N/A THR 64.A N ALA 60.A O no hydrogen 2.992 N/A THR 64.A OG1 ALA 60.A O no hydrogen 2.801 N/A GLY 65.A N ILE 61.A O no hydrogen 2.901 N/A VAL 66.A N THR 64.A OG1 no hydrogen 3.222 N/A ARG 67.A N ASP 31.A O no hydrogen 3.234 N/A SER 70.A OG GLU 34.A OE2 no hydrogen 2.684 N/A MET 71.A N VAL 110.A O no hydrogen 3.013 N/A CYS 72.A N MET 35.A O no hydrogen 2.780 N/A CYS 72.A SG TYR 8.A OH no hydrogen 3.856 N/A LEU 73.A N GLN 112.A O no hydrogen 2.969 N/A ALA 75.A N VAL 37.A O no hydrogen 3.076 N/A HIS 76.A NE2 GLY 92.A O no hydrogen 2.674 N/A ARG 77.A N SER 74.A O no hydrogen 3.019 N/A ARG 77.A NE TYR 116.A OH no hydrogen 3.270 N/A ARG 77.A NH1 GLU 39.A OE2 no hydrogen 2.660 N/A ARG 77.A NH2 TYR 116.A OH no hydrogen 3.086 N/A ARG 78.A N ALA 75.A O no hydrogen 2.986 N/A ARG 78.A NH1 GLU 39.A O no hydrogen 2.715 N/A ARG 78.A NH1 ASP 41.A OD1 no hydrogen 2.955 N/A ARG 78.A NH2 ASP 41.A OD1 no hydrogen 3.426 N/A PHE 79.A N ALA 75.A O no hydrogen 3.209 N/A SER 83.A N PRO 80.A O no hydrogen 3.257 N/A SER 83.A OG ASP 85.A O no hydrogen 3.138 N/A ASP 85.A N SER 83.A OG no hydrogen 3.091 N/A ALA 87.A N ASP 85.A OD1 no hydrogen 2.927 N/A VAL 88.A N ASP 85.A OD1 no hydrogen 3.308 N/A ARG 89.A N ASP 85.A O no hydrogen 2.983 N/A ARG 89.A NE LEU 81.A O no hydrogen 2.673 N/A ARG 89.A NH2 ARG 130.A O no hydrogen 2.931 N/A ALA 90.A N ASP 86.A O no hydrogen 3.039 N/A GLN 91.A N ALA 87.A O no hydrogen 3.200 N/A GLN 91.A NE2 ALA 87.A O no hydrogen 3.206 N/A GLY 92.A N VAL 88.A O no hydrogen 3.009 N/A LEU 93.A N ARG 89.A O no hydrogen 3.026 N/A GLU 94.A N ALA 90.A O no hydrogen 2.872 N/A ILE 95.A N GLN 91.A O no hydrogen 2.743 N/A MET 96.A N GLY 92.A O no hydrogen 3.100 N/A ARG 97.A N LEU 93.A O no hydrogen 2.990 N/A ARG 97.A NE GLU 94.A OE1 no hydrogen 3.524 N/A ARG 97.A NE GLU 94.A OE2 no hydrogen 2.828 N/A ARG 97.A NH2 GLU 94.A OE2 no hydrogen 2.564 N/A LYS 98.A N GLU 94.A O no hydrogen 2.960 N/A LYS 98.A NZ ASP 48.A OD1 no hydrogen 3.251 N/A ALA 99.A N ILE 95.A O no hydrogen 2.797 N/A ILE 100.A N MET 96.A O no hydrogen 3.051 N/A GLN 101.A N ARG 97.A O no hydrogen 3.092 N/A PHE 102.A N LYS 98.A O no hydrogen 2.795 N/A ALA 103.A N ALA 99.A O no hydrogen 2.887 N/A GLN 104.A N ILE 100.A O no hydrogen 2.978 N/A ASP 105.A N GLN 101.A O no hydrogen 2.925 N/A VAL 106.A N PHE 102.A O no hydrogen 2.972 N/A GLY 107.A N ALA 103.A O no hydrogen 2.838 N/A ILE 108.A N ALA 103.A O no hydrogen 2.905 N/A ARG 109.A N PRO 69.A O no hydrogen 2.752 N/A VAL 110.A N PRO 69.A O no hydrogen 2.867 N/A ILE 111.A N THR 148.A O no hydrogen 2.908 N/A GLN 112.A N MET 71.A O no hydrogen 2.688 N/A GLN 112.A NE2 HIS 208.A NE2 no hydrogen 3.221 N/A LEU 113.A N ALA 150.A O no hydrogen 2.855 N/A TYR 116.A OH ASP 155.A OD1 no hydrogen 2.790 N/A VAL 118.A N ASP 117.A OD1 no hydrogen 2.837 N/A TYR 120.A OH GLU 39.A OE1 no hydrogen 2.587 N/A ASN 124.A N THR 127.A OG1 no hydrogen 2.982 N/A ASN 124.A ND2 GLU 84.A OE2 no hydrogen 2.838 N/A THR 127.A N ASN 124.A OD1 no hydrogen 3.021 N/A THR 127.A OG1 ASP 117.A OD2 no hydrogen 2.847 N/A THR 127.A OG1 ASN 124.A O no hydrogen 2.978 N/A ARG 128.A N ASN 124.A O no hydrogen 3.220 N/A ARG 128.A NH2 ASN 125.A OD1 no hydrogen 2.749 N/A ARG 129.A N ASN 125.A O no hydrogen 3.089 N/A ARG 130.A N GLU 126.A O no hydrogen 2.954 N/A ARG 130.A NE SER 83.A O no hydrogen 2.750 N/A ARG 130.A NH2 SER 83.A O no hydrogen 2.732 N/A ARG 130.A NH2 ASP 86.A OD1 no hydrogen 2.692 N/A PHE 131.A N THR 127.A O no hydrogen 2.764 N/A ARG 132.A N ARG 128.A O no hydrogen 2.935 N/A ARG 132.A NE ASP 133.A OD1 no hydrogen 3.518 N/A ASP 133.A N ARG 129.A O no hydrogen 2.996 N/A GLY 134.A N ARG 130.A O no hydrogen 2.800 N/A LEU 135.A N PHE 131.A O no hydrogen 2.817 N/A LYS 136.A N ARG 132.A O no hydrogen 3.008 N/A GLU 137.A N ASP 133.A O no hydrogen 3.078 N/A SER 138.A N GLY 134.A O no hydrogen 2.979 N/A SER 138.A OG GLY 134.A O no hydrogen 2.796 N/A VAL 139.A N LEU 135.A O no hydrogen 2.969 N/A GLU 140.A N LYS 136.A O no hydrogen 3.105 N/A MET 141.A N GLU 137.A O no hydrogen 3.035 N/A ALA 142.A N SER 138.A O no hydrogen 2.896 N/A SER 143.A N VAL 139.A O no hydrogen 2.927 N/A SER 143.A OG VAL 139.A O no hydrogen 2.672 N/A ARG 144.A N GLU 140.A O no hydrogen 3.243 N/A ALA 145.A N MET 141.A O no hydrogen 3.272 N/A VAL 147.A N ALA 142.A O no hydrogen 2.982 N/A LEU 149.A N TRP 176.A O no hydrogen 2.824 N/A ALA 150.A N ILE 111.A O no hydrogen 2.955 N/A MET 151.A N GLN 178.A O no hydrogen 2.837 N/A GLU 152.A N LEU 113.A O no hydrogen 3.092 N/A MET 154.A N MET 159.A O no hydrogen 2.672 N/A TYR 156.A OH ASP 117.A OD1 no hydrogen 2.523 N/A MET 159.A N TYR 156.A O no hydrogen 3.198 N/A SER 163.A N GLU 196.A OE1 no hydrogen 2.861 N/A SER 163.A OG GLU 196.A OE1 no hydrogen 3.276 N/A SER 163.A OG GLU 196.A OE2 no hydrogen 2.656 N/A LYS 164.A N SER 161.A OG no hydrogen 3.102 N/A LYS 164.A NZ PRO 157.A O no hydrogen 2.424 N/A LYS 164.A NZ ASN 160.A OD1 no hydrogen 2.953 N/A ALA 165.A N SER 161.A O no hydrogen 3.312 N/A LEU 166.A N ILE 162.A O no hydrogen 2.784 N/A GLY 167.A N SER 163.A O no hydrogen 2.909 N/A TYR 168.A N LYS 164.A O no hydrogen 3.237 N/A ALA 169.A N ALA 165.A O no hydrogen 2.910 N/A HIS 170.A N LEU 166.A O no hydrogen 2.951 N/A HIS 170.A ND1 LEU 166.A O no hydrogen 3.114 N/A TYR 171.A N GLY 167.A O no hydrogen 3.217 N/A LEU 172.A N TYR 168.A O no hydrogen 2.946 N/A ASN 173.A N ALA 169.A O no hydrogen 2.816 N/A ASN 174.A ND2 SER 143.A OG no hydrogen 2.917 N/A TRP 176.A N ASN 174.A OD1 no hydrogen 2.825 N/A PHE 177.A N ASN 174.A O no hydrogen 3.107 N/A GLN 178.A N LEU 149.A O no hydrogen 2.834 N/A GLN 178.A NE2 PRO 175.A O no hydrogen 2.919 N/A LEU 179.A N HIS 203.A O no hydrogen 2.861 N/A TYR 180.A N MET 151.A O no hydrogen 2.880 N/A TYR 180.A OH GLU 34.A OE2 no hydrogen 2.544 N/A TYR 180.A OH HIS 208.A ND1 no hydrogen 3.249 N/A ILE 183.A N HIS 208.A O no hydrogen 3.160 N/A ASN 185.A N ASP 182.A OD1 no hydrogen 2.882 N/A ASN 185.A ND2 ILE 153.A O no hydrogen 2.851 N/A LEU 186.A N ASP 182.A O no hydrogen 2.899 N/A SER 187.A N ILE 183.A O no hydrogen 3.158 N/A SER 187.A N GLY 184.A O no hydrogen 2.987 N/A SER 187.A OG ILE 183.A O no hydrogen 2.775 N/A ALA 188.A N ASN 185.A O no hydrogen 3.380 N/A GLN 194.A NE2 THR 235.A OG1 no hydrogen 2.508 N/A MET 195.A N ASP 192.A OD1 no hydrogen 3.395 N/A GLU 196.A N ASP 192.A O no hydrogen 2.958 N/A LEU 197.A N VAL 193.A O no hydrogen 2.997 N/A GLN 198.A N GLN 194.A O no hydrogen 3.305 N/A ALA 199.A N MET 195.A O no hydrogen 2.790 N/A GLY 200.A N GLU 196.A O no hydrogen 2.990 N/A ILE 201.A N GLN 198.A O no hydrogen 3.249 N/A HIS 203.A N GLY 200.A O no hydrogen 2.804 N/A HIS 203.A ND1 GLN 178.A OE1 no hydrogen 3.031 N/A VAL 205.A N LEU 179.A O no hydrogen 2.972 N/A VAL 207.A N PRO 244.A O no hydrogen 3.251 N/A HIS 208.A N PRO 181.A O no hydrogen 2.934 N/A VAL 209.A N LEU 246.A O no hydrogen 2.654 N/A LYS 210.A NZ ASP 182.A OD2 no hydrogen 3.086 N/A LYS 210.A NZ ASN 185.A OD1 no hydrogen 3.069 N/A LYS 210.A NZ PHE 217.A O no hydrogen 3.102 N/A LYS 210.A NZ GLU 248.A OE1 no hydrogen 3.410 N/A THR 212.A N ASP 211.A OD1 no hydrogen 2.908 N/A THR 212.A OG1 GLY 184.A O no hydrogen 2.718 N/A LYS 213.A N VAL 216.A O no hydrogen 2.988 N/A VAL 216.A N LYS 213.A O no hydrogen 2.825 N/A GLY 223.A N ASP 211.A OD2 no hydrogen 2.873 N/A GLU 224.A N PRO 221.A O no hydrogen 3.003 N/A GLY 225.A N ASP 211.A OD2 no hydrogen 2.993 N/A VAL 226.A N THR 212.A O no hydrogen 2.779 N/A VAL 227.A N ASP 211.A OD1 no hydrogen 3.055 N/A ARG 231.A N ASP 228.A OD1 no hydrogen 3.253 N/A CYS 232.A N ASP 228.A O no hydrogen 3.092 N/A CYS 232.A SG GLN 194.A OE1 no hydrogen 3.524 N/A CYS 232.A SG ASP 228.A O no hydrogen 3.344 N/A PHE 233.A N PHE 229.A O no hydrogen 2.883 N/A GLU 234.A N GLU 230.A O no hydrogen 2.842 N/A THR 235.A N ARG 231.A O no hydrogen 2.861 N/A THR 235.A OG1 ARG 231.A O no hydrogen 2.945 N/A LEU 236.A N CYS 232.A O no hydrogen 2.983 N/A LYS 237.A N PHE 233.A O no hydrogen 2.961 N/A GLN 238.A N GLU 234.A O no hydrogen 2.842 N/A SER 239.A N THR 235.A O no hydrogen 2.869 N/A SER 239.A OG THR 235.A O no hydrogen 2.828 N/A GLY 240.A N LYS 237.A O no hydrogen 3.130 N/A TYR 241.A N LEU 236.A O no hydrogen 2.923 N/A TYR 241.A OH PRO 244.A O no hydrogen 2.738 N/A CYS 242.A SG.A GLY 240.A O no hydrogen 3.770 N/A CYS 242.A SG.B GLY 240.A O no hydrogen 3.792 N/A TYR 245.A N PRO 4.A O no hydrogen 3.035 N/A LEU 246.A N VAL 207.A O no hydrogen 2.816 N/A ILE 247.A N GLY 6.A O no hydrogen 2.943 N/A GLU 248.A N VAL 209.A O no hydrogen 3.022 N/A SER 251.A OG ALA 11.A O no hydrogen 2.631 N/A GLU 252.A N LYS 10.A O no hydrogen 3.140 N/A ALA 254.A N SER 251.A O no hydrogen 3.111 N/A ALA 259.A N ASP 256.A OD1 no hydrogen 3.328 N/A GLU 260.A N ASP 256.A O no hydrogen 3.180 N/A VAL 261.A N PRO 257.A O no hydrogen 2.870 N/A ALA 262.A N ALA 258.A O no hydrogen 2.910 N/A LYS 263.A N ALA 259.A O no hydrogen 3.211 N/A ALA 264.A N GLU 260.A O no hydrogen 3.081 N/A ARG 265.A N VAL 261.A O no hydrogen 2.824 N/A ARG 265.A NE ASP 266.A OD1 no hydrogen 3.215 N/A ARG 265.A NH1 LEU 28.A O no hydrogen 2.696 N/A ARG 265.A NH2 ASP 266.A OD1 no hydrogen 3.207 N/A ARG 265.A NH2 ASP 266.A OD2 no hydrogen 3.510 N/A ASP 266.A N ALA 262.A O no hydrogen 3.118 N/A TRP 267.A N LYS 263.A O no hydrogen 3.009 N/A VAL 268.A N ALA 264.A O no hydrogen 2.880 N/A LYS 269.A N ARG 265.A O no hydrogen 2.874 N/A ALA 270.A N ASP 266.A O no hydrogen 3.120 N/A ARG 271.A NH1 TRP 267.A O no hydrogen 3.046 N/A MET 272.A N VAL 268.A O no hydrogen 3.071 N/A ALA 273.A N LYS 269.A O no hydrogen 2.946 N/A LYS 274.A N ALA 270.A O no hydrogen 3.078 N/A ALA 275.A N ARG 271.A O no hydrogen 3.229 N/A GLY 276.A N ALA 273.A O no hydrogen 3.041 N/A MET 277.A N MET 272.A O no hydrogen 2.938 N/A