Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aqe_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 4.A OD2 no hydrogen 3.563 N/A ASP 4.A N MET 1.A O no hydrogen 3.286 N/A ASP 6.A N TYR 3.A O no hydrogen 3.413 N/A GLN 8.A N ASP 5.A O no hydrogen 3.127 N/A TYR 9.A N ASP 6.A O no hydrogen 3.038 N/A GLU 10.A N TRP 7.A O no hydrogen 3.281 N/A CYS 12.A N LYS 43.A O no hydrogen 2.857 N/A LYS 13.A N GLU 10.A O no hydrogen 3.239 N/A LYS 13.A NZ GLU 10.A OE2 no hydrogen 3.149 N/A ALA 15.A N LEU 41.A O no hydrogen 2.694 N/A ARG 16.A NH1 GLY 17.A O no hydrogen 2.853 N/A ARG 16.A NH1 PRO 19.A O no hydrogen 2.928 N/A ARG 16.A NH2 PRO 19.A O no hydrogen 3.360 N/A ARG 16.A NH2 PRO 20.A O no hydrogen 3.544 N/A ARG 16.A NH2 ALA 21.A O no hydrogen 3.354 N/A ARG 16.A NH2 THR 22.A OG1 no hydrogen 2.961 N/A THR 22.A N GLU 112.A O no hydrogen 2.957 N/A VAL 24.A N ARG 114.A O no hydrogen 3.073 N/A ILE 26.A N VAL 116.A O no hydrogen 3.117 N/A GLU 28.A N ARG 118.A O no hydrogen 2.926 N/A GLU 29.A N LEU 83.A O no hydrogen 2.641 N/A SER 30.A OG ASP 27.A O no hydrogen 2.622 N/A GLY 33.A N LEU 76.A O no hydrogen 2.820 N/A THR 34.A N ARG 31.A O no hydrogen 2.916 N/A THR 34.A OG1 ARG 31.A O no hydrogen 2.491 N/A LEU 36.A N LEU 74.A O no hydrogen 2.784 N/A VAL 37.A N LEU 74.A O no hydrogen 3.287 N/A MET 40.A N GLN 72.A O no hydrogen 2.897 N/A LEU 41.A N ASN 39.A OD1 no hydrogen 2.997 N/A ILE 42.A N GLN 72.A OE1 no hydrogen 2.868 N/A LYS 43.A N LYS 13.A O no hydrogen 2.744 N/A LYS 43.A NZ GLU 10.A OE1 no hydrogen 2.912 N/A THR 45.A N THR 52.A OG1 no hydrogen 2.947 N/A THR 52.A N THR 45.A O no hydrogen 2.848 N/A THR 52.A OG1 ASP 11.A OD2 no hydrogen 2.992 N/A ILE 53.A N THR 45.A O no hydrogen 3.105 N/A GLU 54.A N VAL 101.A O no hydrogen 2.975 N/A SER 56.A N GLN 99.A O no hydrogen 3.082 N/A LYS 58.A N GLN 97.A O no hydrogen 2.885 N/A ASN 60.A ND2 VAL 65.A O no hydrogen 2.734 N/A TYR 63.A N ASN 60.A O no hydrogen 3.056 N/A VAL 65.A N ASN 60.A OD1 no hydrogen 3.186 N/A LEU 66.A N PHE 75.A O no hydrogen 2.886 N/A ASP 68.A N MET 73.A O no hydrogen 2.791 N/A VAL 70.A N ASP 68.A OD1 no hydrogen 2.987 N/A LYS 71.A N ASP 68.A OD1 no hydrogen 3.424 N/A GLN 72.A NE2 ILE 42.A O no hydrogen 2.956 N/A MET 73.A N ASP 68.A O no hydrogen 3.174 N/A LEU 74.A N VAL 37.A O no hydrogen 3.088 N/A PHE 75.A N LEU 66.A O no hydrogen 2.698 N/A LEU 76.A N THR 34.A O no hydrogen 2.874 N/A ASN 77.A N TRP 64.A O no hydrogen 2.827 N/A ASN 77.A ND2 TYR 63.A O no hydrogen 3.090 N/A SER 78.A N ASN 32.A OD1 no hydrogen 2.993 N/A SER 78.A OG ARG 81.A O no hydrogen 3.126 N/A THR 79.A OG1 ASN 32.A OD1 no hydrogen 2.852 N/A ARG 81.A N SER 78.A O no hydrogen 3.199 N/A ARG 81.A NH1 ASP 62.A O no hydrogen 2.964 N/A ARG 81.A NH2 ASP 62.A O no hydrogen 3.036 N/A ARG 81.A NH2 TYR 63.A O no hydrogen 3.345 N/A ARG 81.A NH2 ASN 77.A O no hydrogen 2.878 N/A ARG 85.A N GLU 28.A OE1 no hydrogen 3.171 N/A ARG 85.A NE VAL 117.A O no hydrogen 2.845 N/A ARG 85.A NH1 ASP 161.A OD2 no hydrogen 2.786 N/A ASP 86.A N ASP 84.A OD1 no hydrogen 2.967 N/A ASN 90.A N ASP 86.A O no hydrogen 3.034 N/A ILE 91.A N ASP 84.A O no hydrogen 3.189 N/A ILE 94.A N ILE 115.A O no hydrogen 2.951 N/A VAL 96.A N VAL 113.A O no hydrogen 3.059 N/A GLN 97.A N LYS 58.A O no hydrogen 3.136 N/A GLN 97.A NE2 GLU 112.A OE1 no hydrogen 2.957 N/A VAL 98.A N HIS 111.A O no hydrogen 2.828 N/A GLN 99.A N SER 56.A O no hydrogen 2.779 N/A CYS 100.A N ILE 109.A O no hydrogen 2.959 N/A VAL 101.A N GLU 54.A O no hydrogen 2.942 N/A ASN 102.A N THR 107.A O no hydrogen 2.888 N/A ASN 102.A ND2 GLN 8.A O no hydrogen 2.811 N/A ASN 102.A ND2 ASP 11.A O no hydrogen 3.130 N/A LYS 103.A N THR 52.A O no hydrogen 3.128 N/A LYS 103.A NZ GLU 54.A OE2 no hydrogen 2.638 N/A VAL 105.A N ASN 102.A OD1 no hydrogen 3.034 N/A GLY 106.A N ASN 102.A O no hydrogen 2.814 N/A ILE 109.A N CYS 100.A O no hydrogen 2.948 N/A HIS 111.A N VAL 98.A O no hydrogen 2.938 N/A HIS 111.A NE2 CYS 12.A O no hydrogen 2.665 N/A VAL 113.A N VAL 96.A O no hydrogen 2.901 N/A ARG 114.A N THR 22.A O no hydrogen 2.984 N/A ARG 114.A NH1.B GLU 112.A OE2 no hydrogen 2.939 N/A ARG 114.A NH2.B GLU 112.A OE2 no hydrogen 2.825 N/A ILE 115.A N ILE 94.A O no hydrogen 2.724 N/A VAL 116.A N VAL 24.A O no hydrogen 2.779 N/A VAL 117.A N HIS 92.A O no hydrogen 2.990 N/A ARG 118.A N ILE 26.A O no hydrogen 2.867 N/A ARG 118.A NE ASP 27.A OD1 no hydrogen 3.152 N/A ARG 120.A N GLU 28.A OE2 no hydrogen 2.847 N/A ASN 121.A ND2 ASP 216.A OD1 no hydrogen 3.353 N/A ASN 121.A ND2 ASP 216.A OD2 no hydrogen 2.925 N/A ASN 121.A ND2 GLU 223.A O no hydrogen 2.744 N/A ASN 123.A N ASP 160.A OD2 no hydrogen 3.019 N/A ASN 123.A ND2 ASP 160.A OD1 no hydrogen 2.736 N/A THR 126.A N THR 157.A O no hydrogen 2.742 N/A LYS 128.A N GLY 155.A O no hydrogen 2.997 N/A HIS 129.A N TYR 132.A OH no hydrogen 3.261 N/A HIS 129.A NE2 ASN 154.A OD1 no hydrogen 2.726 N/A SER 131.A OG TYR 133.A OH no hydrogen 2.670 N/A TYR 132.A N THR 230.A O no hydrogen 2.996 N/A TYR 132.A OH ASN 154.A O no hydrogen 2.726 N/A TYR 133.A OH SER 131.A OG no hydrogen 2.670 N/A ALA 134.A N THR 232.A O no hydrogen 3.086 N/A VAL 136.A N ASP 234.A O no hydrogen 2.894 N/A GLU 138.A N GLU 236.A O no hydrogen 3.290 N/A LEU 139.A N ASN 137.A OD1 no hydrogen 2.808 N/A THR 140.A N ASN 137.A O no hydrogen 3.038 N/A THR 140.A OG1 ASN 137.A O no hydrogen 2.514 N/A GLY 143.A N LEU 196.A O no hydrogen 2.878 N/A THR 144.A N PRO 141.A O no hydrogen 3.201 N/A THR 144.A OG1 PRO 141.A O no hydrogen 2.712 N/A ILE 146.A N VAL 194.A O no hydrogen 3.001 N/A SER 151.A N THR 148.A O no hydrogen 2.938 N/A SER 151.A OG THR 148.A O no hydrogen 3.395 N/A ASN 154.A N SER 151.A O no hydrogen 3.357 N/A ASN 154.A ND2 GLY 149.A O no hydrogen 2.629 N/A ALA 156.A N TYR 169.A OH no hydrogen 2.979 N/A THR 157.A N THR 126.A O no hydrogen 2.865 N/A ASP 160.A N ASP 158.A OD1 no hydrogen 3.009 N/A ASP 161.A N ASP 119.A OD2 no hydrogen 3.142 N/A GLY 162.A N ASP 161.A OD1 no hydrogen 2.904 N/A ASN 164.A ND2 ASP 119.A OD2 no hydrogen 2.993 N/A GLY 165.A N GLY 162.A O no hydrogen 2.954 N/A GLN 166.A N PRO 163.A O no hydrogen 3.252 N/A GLU 168.A N ASN 215.A O no hydrogen 2.988 N/A TYR 169.A N MET 189.A O no hydrogen 2.920 N/A VAL 170.A N GLN 213.A O no hydrogen 2.900 N/A GLN 172.A N ILE 211.A O no hydrogen 2.849 N/A ASN 174.A ND2 TYR 209.A O no hydrogen 3.008 N/A GLU 176.A N ASN 174.A OD1 no hydrogen 3.135 N/A ASP 177.A N ASN 174.A O no hydrogen 2.959 N/A SER 180.A N ASP 177.A O no hydrogen 3.107 N/A SER 180.A OG ASP 177.A O no hydrogen 3.245 N/A SER 180.A OG TYR 209.A O no hydrogen 2.859 N/A ASP 182.A N THR 179.A O no hydrogen 3.025 N/A THR 183.A N THR 179.A O no hydrogen 2.972 N/A THR 183.A OG1 THR 179.A O no hydrogen 3.039 N/A PHE 184.A N SER 180.A O no hydrogen 3.153 N/A GLU 185.A N VAL 195.A O no hydrogen 3.010 N/A THR 191.A N LEU 188.A O no hydrogen 3.092 N/A THR 191.A OG1 LEU 188.A O no hydrogen 3.082 N/A GLY 192.A N LEU 188.A O no hydrogen 3.238 N/A ASN 193.A N THR 191.A OG1 no hydrogen 3.127 N/A VAL 194.A N PHE 147.A O no hydrogen 3.123 N/A VAL 195.A N GLU 185.A O no hydrogen 2.797 N/A LEU 196.A N THR 144.A O no hydrogen 3.023 N/A ARG 197.A N THR 183.A O no hydrogen 2.810 N/A ARG 197.A NH1 ASP 182.A O no hydrogen 2.663 N/A ARG 197.A NH1 ASP 182.A OD1 no hydrogen 2.648 N/A LYS 198.A NZ ASP 182.A OD1 no hydrogen 3.207 N/A LYS 198.A NZ ASP 182.A OD2 no hydrogen 2.952 N/A TYR 202.A N GLU 138.A OE2 no hydrogen 3.206 N/A GLU 203.A N ASN 201.A OD1 no hydrogen 3.044 N/A ASP 204.A N ASN 201.A O no hydrogen 3.050 N/A LYS 205.A N ASN 201.A O no hydrogen 3.034 N/A LYS 205.A NZ ASP 177.A OD1 no hydrogen 2.711 N/A LYS 205.A NZ ASP 177.A OD2 no hydrogen 3.497 N/A LYS 205.A NZ ARG 207.A O no hydrogen 2.925 N/A ARG 207.A NE ASP 234.A OD1 no hydrogen 2.870 N/A TYR 208.A N VAL 233.A O no hydrogen 2.906 N/A TYR 209.A N ASP 177.A OD2 no hydrogen 2.742 N/A VAL 210.A N LEU 231.A O no hydrogen 2.846 N/A ILE 212.A N THR 229.A O no hydrogen 2.887 N/A GLN 213.A N VAL 170.A O no hydrogen 2.846 N/A ALA 214.A N THR 227.A O no hydrogen 2.830 N/A ASN 215.A N GLU 168.A O no hydrogen 2.844 N/A ASN 215.A ND2 GLU 168.A OE1 no hydrogen 3.151 N/A ASN 215.A ND2 ASP 216.A O no hydrogen 2.967 N/A ASP 216.A N ARG 225.A O no hydrogen 3.185 N/A ARG 217.A N PRO 163.A O no hydrogen 2.928 N/A ARG 217.A NH1 GLN 166.A OE1.A no hydrogen 2.718 N/A ASN 220.A ND2 ASN 222.A OD1 no hydrogen 2.901 N/A GLU 223.A N ASN 220.A O no hydrogen 2.785 N/A ARG 224.A N LEU 221.A O no hydrogen 3.441 N/A ARG 224.A NE ALA 218.A O no hydrogen 2.832 N/A ARG 224.A NH2 ALA 218.A O no hydrogen 3.299 N/A ARG 225.A N ASP 216.A OD1 no hydrogen 2.945 N/A ARG 225.A NH1 SER 124.A OG no hydrogen 2.870 N/A THR 227.A N ALA 214.A O no hydrogen 3.083 N/A THR 227.A OG1 PRO 125.A O no hydrogen 2.550 N/A THR 229.A N ILE 212.A O no hydrogen 2.823 N/A LEU 231.A N VAL 210.A O no hydrogen 2.893 N/A THR 232.A N TYR 132.A O no hydrogen 2.921 N/A VAL 233.A N TYR 208.A O no hydrogen 2.884 N/A ASP 234.A N ALA 134.A O no hydrogen 2.878 N/A LEU 235.A N THR 206.A O no hydrogen 2.921 N/A GLU 236.A N VAL 136.A O no hydrogen 2.860 N/A