Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aqa_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N MET 1.A O no hydrogen 3.231 N/A ASP 6.A N TYR 3.A O no hydrogen 3.442 N/A GLN 8.A N ASP 5.A O no hydrogen 2.897 N/A TYR 9.A N ASP 6.A O no hydrogen 2.979 N/A GLU 10.A N TRP 7.A O no hydrogen 3.257 N/A CYS 12.A N LYS 43.A O no hydrogen 2.868 N/A LYS 13.A N GLU 10.A O no hydrogen 3.111 N/A LYS 13.A NZ GLU 10.A OE2 no hydrogen 3.243 N/A ALA 15.A N LEU 41.A O no hydrogen 2.639 N/A ARG 16.A NH1 GLY 17.A O no hydrogen 2.930 N/A ARG 16.A NH1 PRO 19.A O no hydrogen 2.819 N/A ARG 16.A NH2 PRO 19.A O no hydrogen 3.127 N/A ARG 16.A NH2 ALA 21.A O no hydrogen 3.218 N/A ARG 16.A NH2 THR 22.A OG1 no hydrogen 2.971 N/A THR 22.A N GLU 112.A O no hydrogen 2.887 N/A VAL 24.A N ARG 114.A O no hydrogen 3.026 N/A ILE 26.A N VAL 116.A O no hydrogen 3.096 N/A GLU 28.A N ARG 118.A O no hydrogen 2.969 N/A GLU 29.A N LEU 83.A O no hydrogen 2.611 N/A SER 30.A OG ASP 27.A O no hydrogen 2.688 N/A GLY 33.A N LEU 76.A O no hydrogen 2.897 N/A THR 34.A N ARG 31.A O no hydrogen 3.088 N/A THR 34.A OG1 ARG 31.A O no hydrogen 2.460 N/A LEU 36.A N LEU 74.A O no hydrogen 2.699 N/A VAL 37.A N LEU 74.A O no hydrogen 3.182 N/A MET 40.A N GLN 72.A O no hydrogen 2.885 N/A LEU 41.A N ASN 39.A OD1 no hydrogen 2.952 N/A ILE 42.A N GLN 72.A OE1 no hydrogen 2.776 N/A LYS 43.A N LYS 13.A O no hydrogen 2.802 N/A LYS 43.A NZ GLU 10.A OE1 no hydrogen 2.460 N/A THR 45.A N THR 52.A OG1 no hydrogen 3.083 N/A THR 52.A N THR 45.A O no hydrogen 2.923 N/A THR 52.A OG1 ASP 11.A OD2 no hydrogen 2.789 N/A ILE 53.A N THR 45.A O no hydrogen 3.254 N/A GLU 54.A N VAL 101.A O no hydrogen 2.987 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 2.829 N/A ASN 60.A ND2 VAL 65.A O no hydrogen 2.793 N/A TYR 63.A N ASN 60.A O no hydrogen 3.080 N/A VAL 65.A N ASN 60.A OD1 no hydrogen 3.238 N/A LEU 66.A N PHE 75.A O no hydrogen 2.863 N/A ASP 68.A N MET 73.A O no hydrogen 2.808 N/A VAL 70.A N ASP 68.A OD1 no hydrogen 2.915 N/A LYS 71.A N ASP 68.A OD1 no hydrogen 3.301 N/A GLN 72.A NE2 ILE 42.A O no hydrogen 2.946 N/A MET 73.A N ASP 68.A O no hydrogen 3.141 N/A LEU 74.A N VAL 37.A O no hydrogen 3.005 N/A PHE 75.A N LEU 66.A O no hydrogen 2.746 N/A LEU 76.A N THR 34.A O no hydrogen 2.881 N/A ASN 77.A N TRP 64.A O no hydrogen 2.842 N/A ASN 77.A ND2 TYR 63.A O no hydrogen 3.180 N/A SER 78.A N ASN 32.A OD1 no hydrogen 2.739 N/A ARG 81.A N SER 78.A O no hydrogen 3.112 N/A ARG 81.A NH1 ASP 62.A O no hydrogen 2.919 N/A ARG 81.A NH2 ASP 62.A O no hydrogen 2.947 N/A ARG 81.A NH2 ASN 77.A O no hydrogen 2.866 N/A ARG 85.A N GLU 28.A OE1 no hydrogen 3.060 N/A ARG 85.A NE VAL 117.A O no hydrogen 2.860 N/A ARG 85.A NH1 ASP 161.A OD2 no hydrogen 2.993 N/A ASP 86.A N ASP 84.A OD1 no hydrogen 2.829 N/A ASN 90.A N ASP 86.A O no hydrogen 3.077 N/A ILE 91.A N ASP 84.A O no hydrogen 3.092 N/A ILE 94.A N ILE 115.A O no hydrogen 2.801 N/A VAL 96.A N VAL 113.A O no hydrogen 2.923 N/A GLN 97.A N LYS 58.A O no hydrogen 2.995 N/A GLN 97.A NE2 GLU 112.A OE1 no hydrogen 3.063 N/A VAL 98.A N HIS 111.A O no hydrogen 2.811 N/A GLN 99.A N SER 56.A O no hydrogen 2.796 N/A CYS 100.A N ILE 109.A O no hydrogen 2.897 N/A VAL 101.A N GLU 54.A O no hydrogen 2.931 N/A ASN 102.A N THR 107.A O no hydrogen 2.892 N/A ASN 102.A ND2 GLN 8.A O no hydrogen 2.920 N/A ASN 102.A ND2 ASP 11.A O no hydrogen 3.035 N/A LYS 103.A N THR 52.A O no hydrogen 3.088 N/A LYS 103.A NZ GLU 54.A OE2 no hydrogen 2.565 N/A VAL 105.A N ASN 102.A OD1 no hydrogen 2.917 N/A GLY 106.A N ASN 102.A O no hydrogen 2.653 N/A ILE 109.A N CYS 100.A O no hydrogen 2.889 N/A HIS 111.A N VAL 98.A O no hydrogen 2.869 N/A HIS 111.A NE2 CYS 12.A O no hydrogen 2.616 N/A VAL 113.A N VAL 96.A O no hydrogen 2.833 N/A ARG 114.A N THR 22.A O no hydrogen 2.914 N/A ARG 114.A NH1 GLU 112.A OE2 no hydrogen 2.881 N/A ILE 115.A N ILE 94.A O no hydrogen 2.693 N/A VAL 116.A N VAL 24.A O no hydrogen 2.879 N/A VAL 117.A N HIS 92.A O no hydrogen 2.841 N/A ARG 118.A N ILE 26.A O no hydrogen 2.888 N/A ARG 118.A NH2.A ALA 25.A O no hydrogen 3.444 N/A ARG 120.A N GLU 28.A OE2 no hydrogen 2.858 N/A ASN 121.A ND2 ASP 216.A OD1 no hydrogen 3.473 N/A ASN 121.A ND2 ASP 216.A OD2 no hydrogen 2.963 N/A ASN 121.A ND2 GLU 223.A O no hydrogen 2.695 N/A ASP 122.A N ASP 122.A OD1 no hydrogen 2.666 N/A ASN 123.A N ASP 160.A OD2 no hydrogen 3.133 N/A ASN 123.A ND2 ASP 160.A OD1 no hydrogen 2.961 N/A THR 126.A N THR 157.A O no hydrogen 2.801 N/A LYS 128.A N GLY 155.A O no hydrogen 2.936 N/A HIS 129.A N TYR 132.A OH no hydrogen 3.223 N/A HIS 129.A NE2 ASN 154.A OD1 no hydrogen 2.920 N/A SER 131.A OG TYR 133.A OH no hydrogen 2.505 N/A TYR 132.A N THR 230.A O no hydrogen 3.039 N/A TYR 132.A OH ASN 154.A O no hydrogen 2.589 N/A TYR 133.A OH SER 131.A OG no hydrogen 2.505 N/A ALA 134.A N THR 232.A O no hydrogen 3.007 N/A VAL 136.A N ASP 234.A O no hydrogen 2.979 N/A ASN 137.A ND2 GLU 236.A OE2 no hydrogen 3.319 N/A GLU 138.A N GLU 236.A O no hydrogen 3.192 N/A LEU 139.A N ASN 137.A OD1 no hydrogen 2.902 N/A THR 140.A N ASN 137.A O no hydrogen 3.074 N/A THR 140.A OG1 ASN 137.A O no hydrogen 2.582 N/A GLY 143.A N LEU 196.A O no hydrogen 2.773 N/A THR 144.A N PRO 141.A O no hydrogen 3.191 N/A THR 144.A OG1 PRO 141.A O no hydrogen 2.708 N/A ILE 146.A N VAL 194.A O no hydrogen 2.852 N/A PHE 147.A N VAL 194.A O no hydrogen 3.380 N/A SER 151.A N THR 148.A O no hydrogen 3.033 N/A SER 151.A OG THR 148.A O no hydrogen 3.344 N/A ASN 154.A N SER 151.A O no hydrogen 3.018 N/A ASN 154.A ND2 GLY 149.A O no hydrogen 2.694 N/A ALA 156.A N TYR 169.A OH no hydrogen 2.871 N/A THR 157.A N THR 126.A O no hydrogen 2.885 N/A ASP 160.A N ASP 158.A OD1 no hydrogen 3.086 N/A ASP 161.A N ASP 119.A OD2 no hydrogen 3.141 N/A GLY 162.A N ASP 161.A OD1 no hydrogen 2.805 N/A ASN 164.A ND2 ASP 119.A OD2 no hydrogen 3.041 N/A GLY 165.A N GLY 162.A O no hydrogen 2.960 N/A GLN 166.A N PRO 163.A O no hydrogen 3.010 N/A GLU 168.A N ASN 215.A O no hydrogen 2.880 N/A TYR 169.A N MET 189.A O no hydrogen 2.753 N/A VAL 170.A N GLN 213.A O no hydrogen 2.895 N/A GLN 172.A N ILE 211.A O no hydrogen 2.847 N/A GLN 172.A NE2 GLN 213.A OE1 no hydrogen 2.826 N/A ASN 174.A ND2 TYR 209.A O no hydrogen 2.893 N/A GLU 176.A N ASN 174.A OD1 no hydrogen 3.102 N/A ASP 177.A N ASN 174.A O no hydrogen 2.780 N/A SER 180.A N ASP 177.A O no hydrogen 3.064 N/A SER 180.A OG ASP 177.A O no hydrogen 3.152 N/A SER 180.A OG TYR 209.A O no hydrogen 2.848 N/A ASP 182.A N THR 179.A O no hydrogen 3.110 N/A THR 183.A N THR 179.A O no hydrogen 2.963 N/A THR 183.A N SER 180.A O no hydrogen 3.303 N/A THR 183.A OG1 THR 179.A O no hydrogen 3.056 N/A PHE 184.A N SER 180.A O no hydrogen 3.161 N/A GLU 185.A N VAL 195.A O no hydrogen 2.907 N/A THR 191.A N LEU 188.A O no hydrogen 3.220 N/A THR 191.A OG1 LEU 188.A O no hydrogen 3.256 N/A GLY 192.A N LEU 188.A O no hydrogen 3.251 N/A ASN 193.A N THR 191.A OG1 no hydrogen 3.202 N/A VAL 194.A N PHE 147.A O no hydrogen 2.981 N/A VAL 195.A N GLU 185.A O no hydrogen 2.748 N/A LEU 196.A N THR 144.A O no hydrogen 2.940 N/A ARG 197.A N THR 183.A O no hydrogen 2.735 N/A ARG 197.A NH1 ASP 182.A O no hydrogen 2.792 N/A LYS 198.A NZ ASP 182.A OD1 no hydrogen 3.333 N/A LYS 198.A NZ ASP 182.A OD2 no hydrogen 3.015 N/A TYR 202.A N GLU 138.A OE2 no hydrogen 3.139 N/A GLU 203.A N ASN 201.A OD1 no hydrogen 3.161 N/A ASP 204.A N ASN 201.A O no hydrogen 2.905 N/A LYS 205.A N ASN 201.A O no hydrogen 2.956 N/A LYS 205.A NZ ASP 177.A OD1 no hydrogen 2.705 N/A LYS 205.A NZ ASP 177.A OD2 no hydrogen 3.524 N/A LYS 205.A NZ ARG 207.A O no hydrogen 2.873 N/A ARG 207.A NE ASP 234.A OD1 no hydrogen 2.764 N/A TYR 208.A N VAL 233.A O no hydrogen 2.817 N/A TYR 209.A N ASP 177.A OD2 no hydrogen 2.763 N/A VAL 210.A N LEU 231.A O no hydrogen 2.768 N/A ILE 212.A N THR 229.A O no hydrogen 2.933 N/A GLN 213.A N VAL 170.A O no hydrogen 2.795 N/A ALA 214.A N THR 227.A O no hydrogen 2.783 N/A ASN 215.A N GLU 168.A O no hydrogen 2.904 N/A ASN 215.A ND2 GLU 168.A OE1 no hydrogen 3.183 N/A ASN 215.A ND2 ASP 216.A O no hydrogen 2.862 N/A ASP 216.A N ARG 225.A O no hydrogen 3.033 N/A ARG 217.A N PRO 163.A O no hydrogen 2.984 N/A ASN 220.A ND2 GLU 223.A OE1 no hydrogen 3.246 N/A GLU 223.A N ASN 220.A O no hydrogen 2.829 N/A ARG 224.A N LEU 221.A O no hydrogen 3.249 N/A ARG 224.A NE ALA 218.A O no hydrogen 2.860 N/A ARG 224.A NH2 ALA 218.A O no hydrogen 3.406 N/A ARG 225.A N ASP 216.A OD1 no hydrogen 2.891 N/A ARG 225.A NE ASN 121.A O no hydrogen 2.907 N/A ARG 225.A NH1 SER 124.A OG no hydrogen 2.781 N/A THR 227.A N ALA 214.A O no hydrogen 2.915 N/A THR 227.A OG1 PRO 125.A O no hydrogen 2.385 N/A THR 229.A N ILE 212.A O no hydrogen 2.835 N/A LEU 231.A N VAL 210.A O no hydrogen 2.751 N/A THR 232.A N TYR 132.A O no hydrogen 2.913 N/A VAL 233.A N TYR 208.A O no hydrogen 2.850 N/A ASP 234.A N ALA 134.A O no hydrogen 2.905 N/A LEU 235.A N THR 206.A O no hydrogen 2.954 N/A GLU 236.A N VAL 136.A O no hydrogen 2.930 N/A