Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3frj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 229.A O no hydrogen 2.837 N/A ARG 8.A NH1 GLU 5.A OE1 no hydrogen 2.827 N/A MET 11.A N ARG 8.A O no hydrogen 2.799 N/A LEU 12.A N PRO 9.A O no hydrogen 3.250 N/A GLY 14.A N GLY 38.A O no hydrogen 2.941 N/A LYS 15.A N LEU 12.A O no hydrogen 2.622 N/A LYS 15.A NZ MET 11.A O no hydrogen 2.708 N/A LYS 16.A N ASP 94.A OD2 no hydrogen 2.714 N/A LYS 16.A NZ MET 90.A O no hydrogen 2.859 N/A LYS 16.A NZ GLY 91.A O no hydrogen 2.901 N/A VAL 17.A N HIS 40.A O no hydrogen 3.017 N/A ILE 18.A N MET 95.A O no hydrogen 2.928 N/A VAL 19.A N VAL 42.A O no hydrogen 3.087 N/A THR 20.A N ILE 97.A O no hydrogen 3.072 N/A ALA 22.A N THR 44.A O no hydrogen 2.879 N/A ARG 28.A N LYS 24.A O no hydrogen 3.263 N/A ARG 28.A NH1 SER 23.A O no hydrogen 2.431 N/A GLU 29.A N GLY 25.A O no hydrogen 3.062 N/A MET 30.A N ILE 26.A O no hydrogen 2.950 N/A ALA 31.A N GLY 27.A O no hydrogen 3.073 N/A TYR 32.A N ARG 28.A O no hydrogen 2.969 N/A HIS 33.A N GLU 29.A O no hydrogen 2.985 N/A HIS 33.A NE2 GLU 217.A O no hydrogen 2.532 N/A LEU 34.A N MET 30.A O no hydrogen 2.923 N/A ALA 35.A N ALA 31.A O no hydrogen 2.963 N/A LYS 36.A N TYR 32.A O no hydrogen 2.803 N/A MET 37.A N LEU 34.A O no hydrogen 3.337 N/A GLY 38.A N ALA 35.A O no hydrogen 2.805 N/A ALA 39.A N LEU 34.A O no hydrogen 2.960 N/A HIS 40.A N LYS 15.A O no hydrogen 2.750 N/A HIS 40.A ND1 SER 65.A OG no hydrogen 2.727 N/A VAL 41.A N SER 65.A O no hydrogen 3.291 N/A VAL 42.A N VAL 17.A O no hydrogen 3.093 N/A VAL 43.A N HIS 67.A O no hydrogen 2.852 N/A THR 44.A N VAL 19.A O no hydrogen 3.178 N/A THR 44.A OG1 ILE 69.A O no hydrogen 2.761 N/A LEU 51.A N SER 47.A O no hydrogen 2.828 N/A GLN 52.A N LYS 48.A O no hydrogen 3.029 N/A GLN 52.A NE2 TYR 68.A OH no hydrogen 2.886 N/A LYS 53.A N GLU 49.A O no hydrogen 3.260 N/A VAL 54.A N THR 50.A O no hydrogen 3.101 N/A VAL 55.A N LEU 51.A O no hydrogen 2.766 N/A SER 56.A N GLN 52.A O no hydrogen 3.086 N/A HIS 57.A N LYS 53.A O no hydrogen 3.246 N/A CYS 58.A N VAL 54.A O no hydrogen 2.975 N/A CYS 58.A SG VAL 54.A O no hydrogen 3.339 N/A LEU 59.A N VAL 55.A O no hydrogen 3.314 N/A GLU 60.A N SER 56.A O no hydrogen 3.142 N/A LEU 61.A N HIS 57.A O no hydrogen 2.952 N/A LEU 61.A N CYS 58.A O no hydrogen 3.005 N/A GLY 62.A N CYS 58.A O no hydrogen 3.081 N/A GLY 62.A N LEU 59.A O no hydrogen 3.121 N/A ALA 63.A N CYS 58.A O no hydrogen 3.182 N/A ALA 64.A N ALA 39.A O no hydrogen 3.120 N/A SER 65.A OG HIS 40.A ND1 no hydrogen 2.727 N/A HIS 67.A N VAL 41.A O no hydrogen 3.089 N/A ILE 69.A N VAL 43.A O no hydrogen 3.117 N/A GLY 71.A N ALA 45.A O no hydrogen 3.003 N/A THR 72.A OG1 GLU 74.A OE2 no hydrogen 2.604 N/A GLU 74.A N THR 72.A OG1 no hydrogen 3.087 N/A ASP 75.A N THR 72.A O no hydrogen 2.895 N/A PHE 78.A N ASP 75.A OD1 no hydrogen 3.504 N/A ALA 79.A N ASP 75.A O no hydrogen 2.954 N/A GLU 80.A N MET 76.A O no hydrogen 2.895 N/A GLN 81.A N THR 77.A O no hydrogen 3.025 N/A PHE 82.A N PHE 78.A O no hydrogen 2.661 N/A VAL 83.A N GLU 80.A O no hydrogen 3.179 N/A GLN 85.A N GLN 81.A O no hydrogen 2.958 N/A ALA 86.A N PHE 82.A O no hydrogen 2.859 N/A GLY 87.A N VAL 83.A O no hydrogen 2.957 N/A GLY 87.A N ALA 84.A O no hydrogen 3.123 N/A LYS 88.A N ALA 84.A O no hydrogen 3.001 N/A LEU 89.A N GLN 85.A O no hydrogen 3.051 N/A MET 90.A N GLY 87.A O no hydrogen 3.121 N/A GLY 91.A N LYS 88.A O no hydrogen 3.138 N/A GLY 92.A N GLY 87.A O no hydrogen 2.944 N/A ASP 94.A N LYS 16.A O no hydrogen 2.626 N/A MET 95.A N LYS 16.A O no hydrogen 3.111 N/A LEU 96.A N SER 144.A O no hydrogen 2.855 N/A ILE 97.A N ILE 18.A O no hydrogen 2.934 N/A LEU 98.A N VAL 146.A O no hydrogen 2.836 N/A ASN 99.A N THR 20.A OG1 no hydrogen 3.065 N/A HIS 100.A N THR 20.A OG1 no hydrogen 3.338 N/A THR 102.A N ASN 123.A OD1 no hydrogen 2.845 N/A ILE 113.A N ASP 111.A O no hydrogen 3.203 N/A HIS 115.A N ASP 112.A O no hydrogen 3.199 N/A HIS 115.A N ASP 112.A OD2 no hydrogen 3.309 N/A VAL 116.A N ASP 112.A O no hydrogen 3.242 N/A ARG 117.A N ILE 113.A O no hydrogen 2.805 N/A LYS 118.A N HIS 114.A O no hydrogen 3.018 N/A LYS 118.A NZ GLU 74.A OE1 no hydrogen 3.465 N/A SER 119.A N HIS 115.A O no hydrogen 2.873 N/A SER 119.A OG HIS 115.A O no hydrogen 3.302 N/A MET 120.A N VAL 116.A O no hydrogen 3.098 N/A GLU 121.A N ARG 117.A O no hydrogen 2.820 N/A VAL 122.A N LYS 118.A O no hydrogen 2.909 N/A ASN 123.A N SER 119.A O no hydrogen 2.711 N/A ASN 123.A ND2 SER 166.A OG no hydrogen 2.888 N/A PHE 124.A N MET 120.A O no hydrogen 3.091 N/A LEU 125.A N MET 120.A O no hydrogen 2.859 N/A SER 126.A N GLU 121.A O no hydrogen 2.965 N/A SER 126.A OG VAL 122.A O no hydrogen 2.728 N/A TYR 127.A OH HIS 100.A O no hydrogen 2.687 N/A VAL 128.A N PHE 124.A O no hydrogen 3.251 N/A VAL 129.A N LEU 125.A O no hydrogen 2.969 N/A LEU 130.A N SER 126.A O no hydrogen 2.839 N/A THR 131.A N TYR 127.A O no hydrogen 2.908 N/A THR 131.A OG1 TYR 127.A O no hydrogen 2.969 N/A VAL 132.A N VAL 128.A O no hydrogen 2.816 N/A ALA 133.A N VAL 129.A O no hydrogen 3.053 N/A ALA 133.A N LEU 130.A O no hydrogen 3.165 N/A ALA 134.A N LEU 130.A O no hydrogen 2.933 N/A LEU 138.A N ALA 134.A O no hydrogen 2.988 N/A LYS 139.A N LEU 135.A O no hydrogen 2.750 N/A GLN 140.A N PRO 136.A O no hydrogen 3.229 N/A SER 141.A N LEU 138.A O no hydrogen 3.314 N/A SER 141.A OG LEU 93.A O no hydrogen 2.750 N/A SER 141.A OG MET 137.A O no hydrogen 3.336 N/A SER 141.A OG LEU 138.A O no hydrogen 3.431 N/A ASN 142.A N LYS 139.A O no hydrogen 3.232 N/A GLY 143.A N LEU 138.A O no hydrogen 2.732 N/A SER 144.A N ASP 94.A O no hydrogen 2.954 N/A SER 144.A OG SER 189.A OG no hydrogen 2.907 N/A ILE 145.A N SER 189.A O no hydrogen 2.874 N/A VAL 146.A N LEU 96.A O no hydrogen 2.795 N/A VAL 147.A N THR 191.A O no hydrogen 2.766 N/A VAL 148.A N LEU 98.A O no hydrogen 2.906 N/A SER 150.A N SER 149.A OG no hydrogen 2.678 N/A LEU 151.A N LEU 195.A O no hydrogen 2.937 N/A ALA 152.A N SER 150.A OG no hydrogen 3.051 N/A GLY 153.A N SER 150.A O no hydrogen 2.926 N/A LYS 154.A N LEU 151.A O no hydrogen 2.875 N/A LYS 154.A NZ ASP 171.A OD1 no hydrogen 3.496 N/A LYS 154.A NZ ASP 171.A OD2 no hydrogen 2.672 N/A LYS 154.A NZ GLU 233.A OE1 no hydrogen 2.797 N/A LYS 154.A NZ GLU 233.A OE2 no hydrogen 3.539 N/A VAL 155.A N LEU 151.A O no hydrogen 2.973 N/A SER 164.A N VAL 160.A O no hydrogen 2.791 N/A SER 164.A OG.A ALA 161.A O no hydrogen 3.344 N/A ALA 165.A N ALA 161.A O no hydrogen 2.959 N/A SER 166.A N ALA 162.A O no hydrogen 3.210 N/A SER 166.A OG TYR 163.A O no hydrogen 2.864 N/A LYS 167.A N TYR 163.A O no hydrogen 2.994 N/A LYS 167.A NZ VAL 148.A O no hydrogen 2.839 N/A PHE 168.A N SER 164.A O no hydrogen 2.779 N/A ALA 169.A N ALA 165.A O no hydrogen 2.978 N/A LEU 170.A N SER 166.A O no hydrogen 3.252 N/A ASP 171.A N LYS 167.A O no hydrogen 3.427 N/A GLY 172.A N PHE 168.A O no hydrogen 3.116 N/A PHE 173.A N ALA 169.A O no hydrogen 2.861 N/A PHE 174.A N LEU 170.A O no hydrogen 2.891 N/A SER 175.A N ASP 171.A O no hydrogen 2.886 N/A SER 175.A OG ASP 171.A O no hydrogen 2.949 N/A SER 175.A OG ASP 171.A OD1 no hydrogen 2.895 N/A SER 176.A N GLY 172.A O no hydrogen 3.236 N/A SER 176.A OG.B GLY 172.A O no hydrogen 2.937 N/A ILE 177.A N PHE 173.A O no hydrogen 3.039 N/A ARG 178.A N PHE 174.A O no hydrogen 3.091 N/A ARG 178.A NE ILE 190.A O no hydrogen 2.979 N/A ARG 178.A NH2 ILE 190.A O no hydrogen 3.082 N/A LYS 179.A N SER 175.A O no hydrogen 3.277 N/A LYS 179.A NZ GLU 255.A OE2 no hydrogen 2.739 N/A GLU 180.A N SER 176.A O no hydrogen 2.966 N/A TYR 181.A N ILE 177.A O no hydrogen 2.747 N/A SER 182.A N ARG 178.A O no hydrogen 3.142 N/A SER 182.A OG LYS 179.A O no hydrogen 3.287 N/A VAL 183.A N LYS 179.A O no hydrogen 3.026 N/A SER 184.A N GLU 180.A O no hydrogen 2.915 N/A SER 184.A OG.A GLU 180.A O no hydrogen 2.929 N/A VAL 186.A N TYR 181.A O no hydrogen 2.926 N/A SER 189.A N GLY 143.A O no hydrogen 3.053 N/A THR 191.A N ILE 145.A O no hydrogen 2.948 N/A THR 191.A OG1 GLN 231.A O no hydrogen 2.745 N/A LEU 192.A N GLU 232.A O no hydrogen 2.807 N/A CYS 193.A N VAL 147.A O no hydrogen 2.835 N/A CYS 193.A SG VAL 147.A O no hydrogen 3.848 N/A VAL 194.A N VAL 234.A O no hydrogen 2.782 N/A LEU 195.A N SER 149.A O no hydrogen 3.263 N/A GLY 196.A N TYR 236.A O no hydrogen 2.791 N/A ASP 199.A N ALA 214.A O no hydrogen 2.830 N/A THR 200.A N ILE 198.A O no hydrogen 2.860 N/A ALA 203.A N THR 200.A OG1 no hydrogen 3.235 N/A MET 204.A N THR 200.A O no hydrogen 2.779 N/A LYS 205.A N GLU 201.A O no hydrogen 2.823 N/A ALA 206.A N THR 202.A O no hydrogen 3.097 N/A VAL 207.A N ALA 203.A O no hydrogen 3.022 N/A SER 208.A N MET 204.A O no hydrogen 3.094 N/A ALA 214.A N LEU 197.A O no hydrogen 2.960 N/A LYS 216.A N ASP 199.A OD2 no hydrogen 2.791 N/A CYS 219.A N PRO 215.A O no hydrogen 2.885 N/A ALA 220.A N LYS 216.A O no hydrogen 3.134 N/A LEU 221.A N GLU 217.A O no hydrogen 3.286 N/A GLU 222.A N GLU 218.A O no hydrogen 2.927 N/A ILE 223.A N CYS 219.A O no hydrogen 3.086 N/A ILE 224.A N ALA 220.A O no hydrogen 3.235 N/A LYS 225.A N LEU 221.A O no hydrogen 2.992 N/A LYS 225.A NZ GLU 222.A OE1 no hydrogen 2.693 N/A GLY 226.A N GLU 222.A O no hydrogen 3.076 N/A GLY 227.A N ILE 223.A O no hydrogen 3.087 N/A ALA 228.A N ILE 224.A O no hydrogen 2.756 N/A LEU 229.A N LYS 225.A O no hydrogen 2.697 N/A ARG 230.A N GLY 227.A O no hydrogen 3.067 N/A ARG 230.A NH1 ASN 142.A O no hydrogen 2.913 N/A ARG 230.A NH1 GLY 143.A O no hydrogen 3.455 N/A ARG 230.A NH2 ASN 142.A O no hydrogen 3.327 N/A ARG 230.A NH2 GLY 143.A O no hydrogen 3.474 N/A ARG 230.A NH2 ASN 187.A O no hydrogen 2.907 N/A GLN 231.A N GLY 226.A O no hydrogen 3.086 N/A VAL 234.A N LEU 192.A O no hydrogen 3.012 N/A TYR 235.A OH GLU 233.A OE2 no hydrogen 2.684 N/A TYR 236.A N VAL 194.A O no hydrogen 2.944 N/A TYR 236.A OH GLU 218.A OE1 no hydrogen 2.561 N/A SER 239.A N ASP 237.A OD1 no hydrogen 3.005 N/A THR 243.A N SER 239.A O no hydrogen 3.191 N/A THR 243.A OG1 LEU 240.A O no hydrogen 3.173 N/A LEU 244.A N LEU 240.A O no hydrogen 3.015 N/A LEU 245.A N TRP 241.A O no hydrogen 2.896 N/A ARG 251.A NE GLU 255.A OE1 no hydrogen 2.838 N/A ARG 251.A NH1 ASP 171.A OD1 no hydrogen 3.360 N/A ARG 251.A NH1 ASP 171.A OD2 no hydrogen 2.853 N/A ARG 251.A NH2 ASP 171.A OD1 no hydrogen 2.935 N/A LYS 252.A N ASN 248.A O no hydrogen 3.392 N/A LYS 252.A NZ GLU 232.A OE2 no hydrogen 3.335 N/A LYS 252.A NZ GLU 255.A OE2 no hydrogen 2.688 N/A ILE 253.A N PRO 249.A O no hydrogen 2.940 N/A LEU 254.A N SER 250.A O no hydrogen 2.791 N/A GLU 255.A N ARG 251.A O no hydrogen 2.941 N/A PHE 256.A N LYS 252.A O no hydrogen 3.155 N/A LEU 257.A N ILE 253.A O no hydrogen 3.046 N/A TYR 258.A N LEU 254.A O no hydrogen 3.020 N/A SER 259.A N PHE 256.A O no hydrogen 3.038 N/A SER 259.A OG PHE 256.A O no hydrogen 2.689 N/A THR 260.A N LEU 257.A O no hydrogen 3.474 N/A THR 260.A OG1 LEU 257.A O no hydrogen 2.704 N/A SER 261.A OG TYR 258.A O no hydrogen 2.328 N/A TYR 262.A N SER 259.A O no hydrogen 3.140 N/A