Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aei_L.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N SER 26.A OG no hydrogen 2.749 N/A THR 5.A N ARG 24.A O.A no hydrogen 2.838 N/A THR 5.A N ARG 24.A O.B no hydrogen 2.826 N/A GLN 6.A NE2 TYR 91.A O no hydrogen 2.839 N/A SER 7.A N SER 22.A O no hydrogen 2.891 N/A SER 7.A OG GLN 6.A O no hydrogen 2.864 N/A LEU 11.A N LYS 108.A O no hydrogen 2.885 N/A VAL 13.A N GLU 110.A O.A no hydrogen 2.852 N/A VAL 13.A N GLU 110.A O.B no hydrogen 2.765 N/A GLY 16.A N VAL 83.A O no hydrogen 3.043 N/A ASP 17.A N SER 14.A O no hydrogen 3.044 N/A ALA 19.A N ILE 80.A O no hydrogen 2.807 N/A ILE 21.A N LEU 78.A O no hydrogen 2.811 N/A SER 22.A N SER 7.A O no hydrogen 2.747 N/A CYS 23.A N PHE 76.A O no hydrogen 2.760 N/A ARG 24.A N.A THR 5.A O no hydrogen 2.718 N/A ARG 24.A N.B THR 5.A O no hydrogen 2.744 N/A SER 25.A N THR 74.A O no hydrogen 3.128 N/A SER 25.A OG GLN 27.A O no hydrogen 2.669 N/A SER 26.A N LEU 3.A O no hydrogen 2.905 N/A SER 26.A OG LEU 3.A O no hydrogen 3.330 N/A ILE 29.A N GLY 73.A O no hydrogen 2.937 N/A HIS 31.A N ASN 35.A O no hydrogen 2.782 N/A ASN 33.A N HIS 31.A ND1 no hydrogen 2.826 N/A ASN 33.A ND2 TYR 37.A OH no hydrogen 3.106 N/A GLY 34.A N HIS 31.A O no hydrogen 2.910 N/A ASN 35.A N ASN 33.A OD1 no hydrogen 2.925 N/A ASN 35.A ND2 TYR 37.A OH no hydrogen 2.938 N/A LEU 38.A N THR 36.A O no hydrogen 3.014 N/A GLU 39.A N PHE 94.A O no hydrogen 2.974 N/A TRP 40.A N ILE 53.A O no hydrogen 2.951 N/A TYR 41.A N TYR 92.A O no hydrogen 2.819 N/A TYR 41.A OH GLU 39.A OE1 no hydrogen 2.513 N/A LEU 42.A N ASN 50.A O no hydrogen 2.967 N/A GLN 43.A N VAL 90.A O no hydrogen 2.920 N/A GLN 43.A NE2 GLN 47.A O no hydrogen 3.023 N/A GLN 47.A N LYS 44.A O no hydrogen 3.074 N/A ASN 50.A N LEU 42.A O no hydrogen 2.733 N/A LEU 52.A N TRP 40.A O no hydrogen 2.858 N/A ILE 53.A N TRP 40.A O no hydrogen 3.410 N/A TYR 54.A N ASN 58.A O no hydrogen 2.799 N/A VAL 56.A N LEU 38.A O no hydrogen 2.882 N/A SER 57.A N LYS 55.A O no hydrogen 2.897 N/A ASN 58.A N TYR 54.A O no hydrogen 2.987 N/A ASN 58.A ND2 TYR 54.A O no hydrogen 3.229 N/A PHE 60.A N LEU 52.A O no hydrogen 2.854 N/A VAL 63.A N PHE 60.A O no hydrogen 3.054 N/A ARG 66.A NH1 SER 81.A O no hydrogen 3.449 N/A ARG 66.A NH1 ASP 87.A OD1 no hydrogen 3.561 N/A ARG 66.A NH1 ASP 87.A OD2 no hydrogen 2.810 N/A ARG 66.A NH2 ASP 87.A OD1 no hydrogen 3.003 N/A PHE 67.A N PRO 64.A O no hydrogen 3.092 N/A SER 68.A N LYS 79.A O no hydrogen 2.825 N/A SER 70.A N THR 77.A O no hydrogen 2.947 N/A SER 72.A N ASP 75.A O no hydrogen 2.978 N/A ASP 75.A N SER 72.A O no hydrogen 3.061 N/A PHE 76.A N CYS 23.A O no hydrogen 2.865 N/A THR 77.A N SER 70.A O no hydrogen 3.209 N/A THR 77.A OG1 ILE 21.A O no hydrogen 3.275 N/A LEU 78.A N ILE 21.A O no hydrogen 2.755 N/A LYS 79.A N SER 68.A O no hydrogen 2.695 N/A ILE 80.A N ALA 19.A O no hydrogen 2.783 N/A SER 81.A N ARG 66.A O no hydrogen 2.796 N/A SER 81.A OG GLN 18.A OE1 no hydrogen 3.217 N/A VAL 83.A N ASP 17.A O no hydrogen 3.047 N/A GLU 84.A N ASP 87.A OD2 no hydrogen 2.762 N/A ASP 87.A N GLU 84.A O no hydrogen 3.101 N/A LEU 88.A N ALA 85.A O no hydrogen 3.171 N/A VAL 90.A N GLN 43.A O no hydrogen 2.914 N/A TYR 91.A N THR 107.A O no hydrogen 2.885 N/A TYR 91.A OH ASP 87.A O no hydrogen 2.580 N/A TYR 92.A N TYR 41.A O no hydrogen 2.822 N/A CYS 93.A N GLN 6.A OE1 no hydrogen 3.076 N/A GLN 95.A N THR 102.A O no hydrogen 2.827 N/A GLN 95.A NE2 HIS 98.A O no hydrogen 2.971 N/A GLN 95.A NE2 THR 102.A OG1 no hydrogen 3.353 N/A GLY 96.A N TYR 37.A O no hydrogen 2.700 N/A SER 97.A N GLN 95.A OE1 no hydrogen 2.811 N/A SER 97.A OG ILE 29.A O no hydrogen 2.561 N/A HIS 98.A N GLN 95.A OE1 no hydrogen 3.130 N/A THR 102.A N GLN 95.A O no hydrogen 3.334 N/A THR 102.A OG1 VAL 2.A O no hydrogen 2.834 N/A GLY 104.A N CYS 93.A O no hydrogen 2.858 N/A GLY 106.A N GLN 6.A OE1 no hydrogen 2.983 N/A THR 107.A N TYR 91.A O no hydrogen 2.971 N/A THR 107.A OG1 PRO 8.A O no hydrogen 2.669 N/A LYS 108.A N LEU 9.A O no hydrogen 3.113 N/A LYS 108.A NZ ASP 170.A OD1 no hydrogen 3.126 N/A LEU 109.A N GLY 89.A O no hydrogen 2.857 N/A GLU 110.A N.A LEU 11.A O no hydrogen 2.800 N/A GLU 110.A N.B LEU 11.A O no hydrogen 2.785 N/A LEU 111.A N GLN 171.A OE1 no hydrogen 2.904 N/A LYS 112.A N VAL 13.A O no hydrogen 2.804 N/A ARG 113.A NE ALA 114.A O no hydrogen 2.638 N/A ARG 113.A NH1 ASP 175.A O no hydrogen 2.795 N/A ARG 113.A NH2 ALA 114.A O no hydrogen 3.103 N/A ALA 116.A N TYR 145.A O no hydrogen 3.027 N/A THR 119.A N ASN 142.A O no hydrogen 2.917 N/A SER 121.A N PHE 140.A O no hydrogen 2.976 N/A PHE 123.A N VAL 138.A O no hydrogen 2.747 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.739 N/A GLN 129.A N SER 126.A OG no hydrogen 3.202 N/A LEU 130.A N SER 126.A O no hydrogen 3.253 N/A THR 131.A N SER 127.A O no hydrogen 2.859 N/A THR 131.A OG1 SER 127.A O no hydrogen 2.851 N/A SER 132.A N GLN 129.A O no hydrogen 2.884 N/A SER 132.A OG GLN 129.A O no hydrogen 2.888 N/A GLY 133.A N LEU 130.A O no hydrogen 3.004 N/A GLY 134.A N GLN 129.A O no hydrogen 3.364 N/A ALA 135.A N LEU 186.A O no hydrogen 2.873 N/A SER 136.A OG GLN 129.A OE1 no hydrogen 2.769 N/A SER 136.A OG THR 185.A OG1 no hydrogen 3.134 N/A VAL 137.A N LEU 184.A O no hydrogen 2.777 N/A VAL 138.A N PHE 123.A O no hydrogen 3.175 N/A CYS 139.A N SER 182.A O no hydrogen 2.783 N/A PHE 140.A N SER 121.A O no hydrogen 2.889 N/A LEU 141.A N MET 180.A O.A no hydrogen 2.839 N/A LEU 141.A N MET 180.A O.B no hydrogen 2.835 N/A ASN 142.A N THR 119.A O no hydrogen 2.770 N/A ASN 143.A N SER 179.A OG no hydrogen 3.172 N/A PHE 144.A N TYR 178.A O no hydrogen 2.911 N/A TYR 145.A N ALA 116.A O no hydrogen 3.061 N/A TYR 145.A OH GLU 110.A OE2.A no hydrogen 2.924 N/A LYS 147.A NZ GLU 110.A OE1.B no hydrogen 2.829 N/A ASN 150.A N THR 202.A O no hydrogen 3.033 N/A LYS 152.A N GLU 200.A O no hydrogen 3.054 N/A TRP 153.A NE1 SER 182.A OG no hydrogen 3.034 N/A LYS 154.A N THR 198.A O no hydrogen 2.925 N/A LYS 154.A NZ GLU 200.A OE1 no hydrogen 3.257 N/A LYS 154.A NZ GLU 200.A OE2 no hydrogen 3.428 N/A ILE 155.A N SER 158.A O no hydrogen 2.875 N/A ASP 156.A N SER 196.A O no hydrogen 2.771 N/A SER 158.A N ILE 155.A O no hydrogen 2.859 N/A ARG 160.A N TRP 153.A O no hydrogen 2.993 N/A ARG 160.A NE ASN 162.A O no hydrogen 2.945 N/A ARG 160.A NH1 GLU 190.A OE2 no hydrogen 2.652 N/A ARG 160.A NH2 ASN 162.A O no hydrogen 3.253 N/A ARG 160.A NH2 GLU 190.A OE2 no hydrogen 3.208 N/A GLN 161.A NE2 GLU 159.A OE2 no hydrogen 3.335 N/A LEU 165.A N THR 183.A O no hydrogen 2.812 N/A SER 167.A N SER 181.A O no hydrogen 2.925 N/A THR 169.A N SER 179.A O no hydrogen 3.228 N/A THR 169.A OG1 ASP 170.A O no hydrogen 3.008 N/A THR 169.A OG1 SER 179.A O no hydrogen 3.566 N/A GLN 171.A NE2 LEU 111.A O no hydrogen 2.746 N/A GLN 171.A NE2 SER 176.A O no hydrogen 2.790 N/A ASP 172.A N THR 177.A O no hydrogen 2.954 N/A LYS 174.A N ASP 172.A OD1 no hydrogen 2.779 N/A SER 176.A N ASP 172.A O no hydrogen 2.685 N/A THR 177.A N ASP 175.A OD1 no hydrogen 2.874 N/A THR 177.A OG1 ASN 143.A OD1 no hydrogen 3.423 N/A THR 177.A OG1 ASP 175.A OD1 no hydrogen 2.651 N/A THR 177.A OG1 ASP 175.A OD2 no hydrogen 3.018 N/A TYR 178.A N PHE 144.A O no hydrogen 2.815 N/A SER 179.A N THR 169.A OG1 no hydrogen 3.158 N/A SER 179.A OG ASN 142.A OD1 no hydrogen 3.454 N/A MET 180.A N.A LEU 141.A O no hydrogen 2.927 N/A MET 180.A N.B LEU 141.A O no hydrogen 2.925 N/A SER 181.A N SER 167.A O no hydrogen 2.808 N/A SER 182.A N CYS 139.A O no hydrogen 2.872 N/A SER 182.A OG ASN 166.A OD1 no hydrogen 2.562 N/A THR 183.A N LEU 165.A O no hydrogen 2.978 N/A LEU 184.A N VAL 137.A O no hydrogen 2.930 N/A THR 185.A N GLY 163.A O no hydrogen 3.025 N/A THR 185.A OG1 SER 136.A OG no hydrogen 3.134 N/A LEU 186.A N ALA 135.A O no hydrogen 2.732 N/A LYS 188.A N GLY 133.A O no hydrogen 2.904 N/A LYS 188.A NZ GLU 192.A OE1 no hydrogen 3.335 N/A LYS 188.A NZ GLU 192.A OE2 no hydrogen 2.826 N/A GLU 190.A N THR 187.A OG1 no hydrogen 3.072 N/A TYR 191.A N THR 187.A O no hydrogen 3.018 N/A GLU 192.A N LYS 188.A O no hydrogen 2.891 N/A GLU 192.A N ASP 189.A O no hydrogen 3.178 N/A ARG 193.A N.A GLU 190.A O no hydrogen 3.318 N/A ARG 193.A N.B GLU 190.A O no hydrogen 3.321 N/A ARG 193.A NH2.B ASP 189.A OD1 no hydrogen 3.150 N/A HIS 194.A N TYR 191.A O no hydrogen 3.433 N/A HIS 194.A ND1 ASP 156.A OD2 no hydrogen 2.714 N/A ASN 195.A N ASP 156.A OD1 no hydrogen 3.247 N/A SER 196.A N ASP 156.A OD1 no hydrogen 2.766 N/A TYR 197.A N PHE 214.A O no hydrogen 2.983 N/A TYR 197.A OH TYR 191.A O no hydrogen 2.732 N/A THR 198.A N LYS 154.A O no hydrogen 2.938 N/A THR 198.A OG1 SER 213.A OG no hydrogen 2.543 N/A CYS 199.A N LYS 212.A O no hydrogen 2.856 N/A GLU 200.A N LYS 152.A O no hydrogen 2.809 N/A ALA 201.A N ILE 210.A O no hydrogen 2.748 N/A THR 202.A N ASN 150.A O no hydrogen 2.800 N/A HIS 203.A NE2 TYR 145.A O no hydrogen 2.918 N/A LYS 204.A NZ ASP 115.A OD2 no hydrogen 3.326 N/A SER 206.A N HIS 203.A O no hydrogen 3.188 N/A SER 206.A OG THR 205.A O no hydrogen 2.869 N/A ILE 210.A N ALA 201.A O no hydrogen 2.908 N/A LYS 212.A N CYS 199.A O no hydrogen 3.013 N/A SER 213.A OG THR 198.A OG1 no hydrogen 2.543 N/A PHE 214.A N TYR 197.A O no hydrogen 2.970 N/A ARG 216.A N ASN 195.A O no hydrogen 2.695 N/A ARG 216.A NE HIS 194.A O no hydrogen 2.734 N/A ARG 216.A NH2 HIS 194.A O no hydrogen 3.245 N/A ARG 216.A NH2 ASN 195.A OD1 no hydrogen 2.971 N/A