Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w9f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 22.A O no hydrogen 2.907 N/A ARG 6.A NH1 ARG 41.A O no hydrogen 2.955 N/A ILE 8.A N ASN 5.A OD1 no hydrogen 2.930 N/A LEU 9.A N ASN 5.A O no hydrogen 2.799 N/A PHE 10.A N ARG 6.A O no hydrogen 2.810 N/A ASP 11.A N PRO 7.A O no hydrogen 2.841 N/A ILE 12.A N ILE 8.A O no hydrogen 3.049 N/A VAL 13.A N LEU 9.A O no hydrogen 2.998 N/A SER 14.A N PHE 10.A O no hydrogen 2.910 N/A SER 14.A OG PHE 10.A O no hydrogen 3.098 N/A SER 14.A OG ASP 11.A O no hydrogen 3.287 N/A ARG 15.A N ASP 11.A O no hydrogen 3.047 N/A ARG 15.A NE ASP 11.A OD2 no hydrogen 2.882 N/A ARG 15.A NH2 ASP 11.A OD2 no hydrogen 2.998 N/A GLY 16.A N ILE 12.A O no hydrogen 2.941 N/A GLY 16.A N VAL 13.A O no hydrogen 3.115 N/A SER 17.A N ILE 12.A O no hydrogen 3.078 N/A GLY 20.A N SER 17.A O no hydrogen 3.207 N/A GLY 20.A N SER 17.A OG no hydrogen 3.293 N/A LEU 21.A N PRO 18.A O no hydrogen 3.107 N/A GLU 22.A N ASP 19.A O no hydrogen 3.160 N/A LEU 24.A N LEU 21.A O no hydrogen 2.969 N/A PHE 27.A N GLY 23.A O no hydrogen 2.972 N/A LEU 28.A N LEU 24.A O no hydrogen 2.837 N/A LEU 29.A N LEU 25.A O no hydrogen 2.985 N/A THR 30.A N SER 26.A O no hydrogen 2.894 N/A THR 30.A OG1.A SER 26.A O no hydrogen 2.722 N/A THR 30.A OG1.A PHE 27.A O no hydrogen 3.048 N/A THR 30.A OG1.B SER 26.A O no hydrogen 3.068 N/A HIS 31.A N PHE 27.A O no hydrogen 2.945 N/A LYS 32.A N LEU 29.A O no hydrogen 3.356 N/A LYS 33.A N LEU 28.A O no hydrogen 2.873 N/A LYS 33.A NZ GLU 39.A OE1 no hydrogen 3.318 N/A LYS 33.A NZ GLU 39.A OE2 no hydrogen 3.175 N/A ARG 34.A N ASP 37.A OD2 no hydrogen 2.836 N/A ARG 34.A NE.B ASP 37.A OD1 no hydrogen 3.035 N/A ARG 34.A NH2.B ASP 37.A OD1 no hydrogen 3.128 N/A THR 36.A OG1 ASN 77.A OD1 no hydrogen 2.995 N/A ASP 37.A N ARG 34.A O no hydrogen 2.958 N/A PHE 40.A N ASP 37.A O no hydrogen 2.836 N/A ARG 41.A N GLU 38.A O no hydrogen 3.025 N/A ARG 41.A NE GLY 46.A O no hydrogen 2.735 N/A ARG 41.A NH2 GLY 46.A O no hydrogen 2.888 N/A GLU 42.A N LYS 47.A O no hydrogen 2.835 N/A THR 45.A N GLU 42.A O no hydrogen 3.206 N/A THR 45.A OG1 GLU 42.A OE1 no hydrogen 2.655 N/A GLY 46.A N GLU 42.A O no hydrogen 2.722 N/A LYS 47.A N THR 45.A OG1 no hydrogen 3.166 N/A LEU 50.A N THR 48.A OG1 no hydrogen 3.016 N/A ALA 53.A N CYS 49.A O no hydrogen 2.885 N/A LEU 54.A N LEU 50.A O no hydrogen 3.054 N/A LEU 55.A N PRO 51.A O no hydrogen 2.994 N/A LEU 55.A N LYS 52.A O no hydrogen 3.257 N/A ASN 56.A N ALA 53.A O no hydrogen 2.984 N/A ASN 56.A ND2 LYS 52.A O no hydrogen 2.791 N/A SER 58.A N ARG 61.A O no hydrogen 2.836 N/A ARG 61.A N SER 58.A O no hydrogen 2.871 N/A ARG 61.A NE.B ASP 63.A OD1 no hydrogen 3.353 N/A ARG 61.A NH2.B ASP 63.A OD1 no hydrogen 3.153 N/A ASN 62.A N TYR 108.A OH no hydrogen 2.874 N/A ASN 62.A ND2 VAL 13.A O no hydrogen 2.965 N/A ASN 62.A ND2 ALA 53.A O no hydrogen 3.223 N/A ASN 62.A ND2 ASN 56.A O no hydrogen 2.950 N/A THR 64.A N ASN 62.A OD1 no hydrogen 3.030 N/A THR 64.A OG1 ASN 62.A OD1 no hydrogen 2.619 N/A ILE 65.A N ASN 62.A O no hydrogen 3.013 N/A LEU 68.A N THR 64.A O no hydrogen 2.809 N/A LEU 69.A N ILE 65.A O no hydrogen 3.068 N/A ASP 70.A N PRO 66.A O no hydrogen 3.147 N/A ILE 71.A N ILE 67.A O no hydrogen 2.935 N/A ALA 72.A N LEU 68.A O no hydrogen 2.837 N/A GLU 73.A N LEU 69.A O no hydrogen 3.028 N/A LYS 74.A N ASP 70.A O no hydrogen 2.957 N/A LYS 74.A NZ ASP 70.A OD2 no hydrogen 2.627 N/A THR 75.A N ILE 71.A O no hydrogen 3.083 N/A THR 75.A OG1 ILE 71.A O no hydrogen 2.869 N/A THR 75.A OG1 ALA 72.A O no hydrogen 3.222 N/A GLY 76.A N GLU 73.A O no hydrogen 3.038 N/A ASN 77.A N ALA 72.A O no hydrogen 2.778 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.591 N/A PHE 81.A N ASN 77.A O no hydrogen 2.973 N/A ILE 82.A N MET 78.A O no hydrogen 3.014 N/A ASN 83.A N ARG 79.A O no hydrogen 3.082 N/A ASN 83.A ND2 GLY 116.A O no hydrogen 3.283 N/A SER 84.A N PHE 81.A O no hydrogen 3.379 N/A PHE 86.A N GLN 94.A O no hydrogen 2.956 N/A ARG 87.A N THR 45.A O no hydrogen 2.960 N/A ASP 88.A N TYR 91.A O no hydrogen 3.011 N/A TYR 90.A N ASP 88.A OD1 no hydrogen 2.764 N/A TYR 91.A N ASP 88.A OD1 no hydrogen 2.829 N/A TYR 91.A OH PHE 137.A O no hydrogen 2.595 N/A ARG 92.A N ARG 124.A O no hydrogen 2.869 N/A GLN 94.A N PHE 86.A O no hydrogen 3.190 N/A GLN 94.A NE2 TYR 91.A O no hydrogen 3.286 N/A THR 95.A N HIS 98.A ND1 no hydrogen 3.127 N/A THR 95.A OG1 HIS 98.A ND1 no hydrogen 3.140 N/A HIS 98.A ND1 THR 95.A OG1 no hydrogen 3.140 N/A HIS 98.A NE2 GLU 141.A O no hydrogen 2.911 N/A ILE 99.A N THR 95.A O no hydrogen 3.291 N/A ALA 100.A N ALA 96.A O no hydrogen 2.879 N/A ILE 101.A N LEU 97.A O no hydrogen 2.951 N/A GLU 102.A N HIS 98.A O no hydrogen 2.894 N/A ARG 103.A N ILE 99.A O no hydrogen 2.832 N/A ARG 104.A N ILE 101.A O no hydrogen 2.913 N/A ARG 104.A NH1 THR 150.A O no hydrogen 2.749 N/A ARG 104.A NH2 THR 150.A O no hydrogen 3.183 N/A ARG 104.A NH2 ASN 151.A O no hydrogen 3.224 N/A CYS 105.A N ALA 100.A O no hydrogen 2.894 N/A CYS 105.A SG ARG 103.A O no hydrogen 3.747 N/A VAL 109.A N CYS 105.A O no hydrogen 2.947 N/A GLU 110.A N LYS 106.A O no hydrogen 3.040 N/A LEU 111.A N HIS 107.A O no hydrogen 2.980 N/A LEU 112.A N TYR 108.A O no hydrogen 2.886 N/A VAL 113.A N VAL 109.A O no hydrogen 2.943 N/A GLU 114.A N GLU 110.A O no hydrogen 2.819 N/A LYS 115.A N LEU 111.A O no hydrogen 3.173 N/A LYS 115.A N LEU 112.A O no hydrogen 3.236 N/A GLY 116.A N VAL 113.A O no hydrogen 3.122 N/A ALA 117.A N LEU 112.A O no hydrogen 2.867 N/A ASP 118.A N ASN 83.A OD1 no hydrogen 2.730 N/A HIS 120.A N ASP 118.A OD1 no hydrogen 2.969 N/A ALA 121.A N ASP 118.A O no hydrogen 3.357 N/A GLN 122.A NE2 GLU 141.A OE1 no hydrogen 2.786 N/A ALA 123.A N GLU 141.A O no hydrogen 3.102 N/A ARG 124.A N ARG 92.A O no hydrogen 2.881 N/A ARG 126.A N TYR 90.A O no hydrogen 2.858 N/A ARG 126.A NH1 ASP 88.A O no hydrogen 2.961 N/A PHE 128.A N GLU 133.A OE1 no hydrogen 2.403 N/A GLN 129.A N GLU 133.A OE1 no hydrogen 3.306 N/A GLN 129.A N GLU 133.A OE2 no hydrogen 3.011 N/A GLU 133.A N GLU 133.A OE2 no hydrogen 2.657 N/A GLY 134.A N ASP 132.A OD2 no hydrogen 2.685 N/A TYR 136.A OH ASP 132.A OD1 no hydrogen 2.261 N/A TYR 138.A OH ASP 173.A OD2 no hydrogen 2.280 N/A LEU 142.A N GLY 140.A O no hydrogen 2.671 N/A LEU 146.A N LEU 142.A O no hydrogen 2.830 N/A ALA 147.A N PRO 143.A O no hydrogen 2.949 N/A ALA 148.A N LEU 144.A O no hydrogen 2.985 N/A CYS 149.A N SER 145.A O no hydrogen 2.864 N/A CYS 149.A SG PHE 139.A O no hydrogen 3.744 N/A CYS 149.A SG SER 145.A O no hydrogen 3.227 N/A THR 150.A N LEU 146.A O no hydrogen 2.940 N/A THR 150.A OG1 LEU 146.A O no hydrogen 2.649 N/A THR 150.A OG1 ALA 147.A O no hydrogen 3.360 N/A ASN 151.A N ALA 148.A O no hydrogen 3.106 N/A GLN 152.A N ALA 147.A O no hydrogen 3.050 N/A GLN 152.A NE2 ILE 101.A O no hydrogen 2.758 N/A GLN 152.A NE2 THR 150.A OG1 no hydrogen 2.956 N/A HIS 154.A NE2 GLU 110.A OE2 no hydrogen 3.250 N/A VAL 156.A N GLN 152.A O no hydrogen 2.960 N/A HIS 157.A N PRO 153.A O no hydrogen 2.693 N/A HIS 157.A ND1 GLU 161.A OE2 no hydrogen 2.576 N/A TYR 158.A N HIS 154.A O no hydrogen 2.848 N/A LEU 159.A N ILE 155.A O no hydrogen 2.761 N/A THR 160.A N VAL 156.A O no hydrogen 3.122 N/A THR 160.A OG1 VAL 156.A O no hydrogen 2.955 N/A THR 160.A OG1 HIS 157.A O no hydrogen 3.329 N/A GLU 161.A N HIS 157.A O no hydrogen 2.838 N/A GLU 161.A N TYR 158.A O no hydrogen 3.264 N/A ASN 162.A N TYR 158.A O no hydrogen 2.919 N/A ASN 162.A ND2 TYR 158.A O no hydrogen 2.912 N/A ASN 162.A ND2 LYS 165.A O no hydrogen 2.810 N/A HIS 164.A N ASN 162.A OD1 no hydrogen 2.749 N/A LYS 165.A N ASN 162.A OD1 no hydrogen 2.792 N/A GLN 166.A NE2 ASN 162.A O no hydrogen 3.045 N/A ALA 167.A N LEU 159.A O no hydrogen 2.787 N/A ASP 168.A N HIS 120.A NE2 no hydrogen 2.911 N/A ARG 170.A N ASP 168.A OD1 no hydrogen 2.789 N/A ARG 170.A NE ASP 168.A OD1 no hydrogen 2.841 N/A ARG 170.A NH2 ASP 168.A OD2 no hydrogen 3.180 N/A ARG 171.A N ASP 168.A O no hydrogen 3.036 N/A GLN 172.A NE2 GLY 176.A O no hydrogen 2.879 N/A ASP 173.A N ASN 177.A O no hydrogen 2.919 N/A SER 174.A N GLU 141.A OE1 no hydrogen 2.972 N/A SER 174.A OG GLU 141.A OE1 no hydrogen 3.375 N/A SER 174.A OG GLU 141.A OE2 no hydrogen 2.536 N/A ARG 175.A N ASP 173.A OD1 no hydrogen 2.879 N/A ARG 175.A NH2 TYR 136.A OH no hydrogen 2.922 N/A GLY 176.A N ASP 173.A O no hydrogen 2.979 N/A ASN 177.A N ASP 173.A OD1 no hydrogen 2.945 N/A ASN 177.A ND2 TYR 138.A OH no hydrogen 2.849 N/A THR 178.A N HIS 181.A ND1 no hydrogen 2.908 N/A THR 178.A OG1 HIS 181.A ND1 no hydrogen 3.312 N/A LEU 180.A N THR 178.A OG1 no hydrogen 3.093 N/A HIS 181.A NE2 LEU 226.A O no hydrogen 2.890 N/A ALA 182.A N THR 178.A O no hydrogen 2.979 N/A LEU 183.A N VAL 179.A O no hydrogen 2.953 N/A VAL 184.A N LEU 180.A O no hydrogen 3.229 N/A ALA 185.A N HIS 181.A O no hydrogen 2.830 N/A ILE 186.A N ALA 182.A O no hydrogen 3.015 N/A ALA 187.A N VAL 184.A O no hydrogen 3.110 N/A ASP 188.A N ASN 193.A OD1 no hydrogen 3.061 N/A ASN 189.A ND2 GLY 236.A O no hydrogen 2.898 N/A THR 190.A N ASP 188.A OD1 no hydrogen 3.093 N/A THR 190.A OG1 ASP 188.A OD1 no hydrogen 2.940 N/A ASN 193.A ND2 ILE 186.A O no hydrogen 3.171 N/A THR 194.A N THR 190.A O no hydrogen 2.780 N/A THR 194.A OG1 THR 190.A O no hydrogen 3.029 N/A LYS 195.A N ARG 191.A O no hydrogen 2.973 N/A PHE 196.A N GLU 192.A O no hydrogen 3.162 N/A VAL 197.A N ASN 193.A O no hydrogen 2.913 N/A THR 198.A N THR 194.A O no hydrogen 3.128 N/A THR 198.A OG1 THR 194.A O no hydrogen 2.916 N/A THR 198.A OG1 LYS 195.A O no hydrogen 3.354 N/A LYS 199.A N LYS 195.A O no hydrogen 3.447 N/A MET 200.A N PHE 196.A O no hydrogen 2.862 N/A TYR 201.A N VAL 197.A O no hydrogen 2.870 N/A TYR 201.A OH GLU 218.A OE1 no hydrogen 2.814 N/A ASP 202.A N THR 198.A O no hydrogen 3.071 N/A LEU 203.A N LYS 199.A O no hydrogen 3.044 N/A LEU 204.A N MET 200.A O no hydrogen 2.991 N/A LEU 205.A N TYR 201.A O no hydrogen 2.826 N/A ILE 206.A N ASP 202.A O no hydrogen 2.849 N/A LYS 207.A N LEU 203.A O no hydrogen 3.078 N/A CYS 208.A N LEU 204.A O no hydrogen 2.982 N/A ALA 209.A N LEU 205.A O no hydrogen 3.127 N/A LYS 210.A N ILE 206.A O no hydrogen 2.928 N/A LEU 211.A N LYS 207.A O no hydrogen 3.067 N/A PHE 212.A N CYS 208.A O no hydrogen 2.754 N/A THR 215.A N PHE 212.A O no hydrogen 2.738 N/A GLU 218.A N ASN 216.A OD1 no hydrogen 3.249 N/A ALA 219.A N ASN 216.A O no hydrogen 2.924 N/A LEU 220.A N LEU 217.A O no hydrogen 3.350 N/A ASN 222.A N LEU 226.A O no hydrogen 2.956 N/A ASN 222.A ND2 ASN 177.A OD1 no hydrogen 3.127 N/A ASN 223.A N ARG 175.A O no hydrogen 2.964 N/A ASN 223.A ND2 SER 174.A O no hydrogen 3.514 N/A ASP 224.A N ASN 222.A OD1 no hydrogen 2.819 N/A GLY 225.A N ASN 222.A O no hydrogen 2.733 N/A LEU 226.A N ASN 222.A OD1 no hydrogen 3.022 N/A MET 230.A N SER 227.A OG no hydrogen 3.228 N/A MET 231.A N SER 227.A O no hydrogen 2.861 N/A ALA 232.A N PRO 228.A O no hydrogen 2.878 N/A ALA 233.A N LEU 229.A O no hydrogen 3.030 N/A LYS 234.A N MET 230.A O no hydrogen 2.877 N/A THR 235.A N MET 231.A O no hydrogen 2.975 N/A THR 235.A OG1 MET 231.A O no hydrogen 2.878 N/A GLY 236.A N ALA 233.A O no hydrogen 3.405 N/A LYS 237.A N ALA 232.A O no hydrogen 2.926 N/A LYS 237.A NZ VAL 184.A O no hydrogen 2.852 N/A LYS 237.A NZ ALA 187.A O no hydrogen 2.724 N/A ILE 238.A N GLY 236.A O no hydrogen 3.034 N/A GLY 239.A N ASN 189.A OD1 no hydrogen 3.260 N/A PHE 241.A N LYS 237.A O no hydrogen 2.974 N/A GLN 242.A N ILE 238.A O no hydrogen 2.888 N/A HIS 243.A N GLY 239.A O no hydrogen 3.113 N/A HIS 243.A NE2 ASP 202.A OD1 no hydrogen 3.221 N/A HIS 243.A NE2 ASP 202.A OD2 no hydrogen 2.615 N/A ILE 244.A N ILE 240.A O no hydrogen 2.947 N/A ILE 245.A N PHE 241.A O no hydrogen 3.117 N/A ARG 246.A N GLN 242.A O no hydrogen 3.062 N/A ARG 247.A N HIS 243.A O no hydrogen 3.000 N/A ARG 247.A NE ASP 251.A OD2 no hydrogen 3.481 N/A ARG 247.A NH1 GLU 218.A OE1 no hydrogen 2.909 N/A ARG 247.A NH2 GLU 218.A OE1 no hydrogen 3.446 N/A ARG 247.A NH2 GLU 218.A OE2 no hydrogen 2.716 N/A GLU 248.A N ILE 244.A O no hydrogen 2.846 N/A ILE 249.A N ILE 245.A O no hydrogen 2.893 N/A ALA 250.A N ARG 246.A O no hydrogen 2.882 N/A ASP 251.A N ARG 247.A O no hydrogen 2.883 N/A ALA 252.A N GLU 248.A O no hydrogen 3.211 N/A ALA 253.A N ILE 249.A O no hydrogen 3.068 N/A ALA 254.A N ALA 250.A O no hydrogen 3.123 N/A HIS 255.A N ALA 252.A O no hydrogen 3.248 N/A