Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3aj3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N GLU 40.A O no hydrogen 2.981 N/A VAL 5.A N TYR 262.A O no hydrogen 2.920 N/A TYR 6.A N LEU 38.A O no hydrogen 2.808 N/A LEU 8.A N SER 36.A O no hydrogen 2.833 N/A GLY 10.A N VAL 34.A O no hydrogen 2.789 N/A GLY 11.A N ASP 9.A OD1 no hydrogen 3.029 N/A SER 12.A N ILE 66.A O no hydrogen 2.828 N/A LEU 13.A N PHE 32.A O no hydrogen 3.001 N/A VAL 14.A N GLU 63.A O no hydrogen 2.775 N/A LEU 15.A N VAL 30.A O no hydrogen 3.011 N/A ASP 16.A N HIS 19.A ND1 no hydrogen 3.013 N/A GLY 17.A N GLY 28.A O no hydrogen 2.827 N/A TYR 18.A N ASP 16.A OD1 no hydrogen 2.884 N/A HIS 19.A N ASP 16.A O no hydrogen 2.819 N/A VAL 20.A N ASP 16.A O no hydrogen 3.167 N/A PHE 21.A N GLY 17.A O no hydrogen 2.880 N/A TRP 22.A N GLN 218.A O no hydrogen 2.981 N/A ARG 24.A NH2.B THR 215.A O no hydrogen 3.570 N/A GLY 25.A N PHE 21.A O no hydrogen 2.970 N/A GLY 28.A N ASP 16.A OD2 no hydrogen 2.831 N/A VAL 30.A N LEU 15.A O no hydrogen 2.795 N/A ARG 31.A NH1 SER 12.A OG no hydrogen 2.858 N/A ARG 31.A NH1 LYS 64.A O no hydrogen 2.982 N/A ARG 31.A NH2 LYS 64.A O no hydrogen 2.783 N/A PHE 32.A N LEU 13.A O no hydrogen 2.902 N/A VAL 34.A N GLY 11.A O no hydrogen 3.019 N/A TYR 35.A OH TYR 246.A O no hydrogen 2.798 N/A SER 36.A N LEU 8.A O no hydrogen 3.107 N/A ILE 37.A N ILE 48.A O no hydrogen 2.926 N/A LEU 38.A N TYR 6.A O no hydrogen 2.808 N/A ILE 39.A N PHE 46.A O no hydrogen 2.727 N/A GLU 40.A N LYS 4.A O no hydrogen 2.808 N/A HIS 41.A N GLY 44.A O no hydrogen 2.932 N/A HIS 41.A NE2 ARG 173.A O no hydrogen 2.799 N/A GLU 43.A N HIS 41.A ND1 no hydrogen 2.920 N/A GLY 44.A N HIS 41.A O no hydrogen 3.029 N/A ARG 45.A N ASP 88.A OD2 no hydrogen 2.881 N/A ARG 45.A NE GLU 40.A OE2 no hydrogen 2.830 N/A PHE 46.A N ILE 39.A O no hydrogen 2.997 N/A LEU 47.A N VAL 89.A O no hydrogen 2.827 N/A ILE 48.A N ILE 37.A O no hydrogen 2.770 N/A ASP 49.A N VAL 91.A O no hydrogen 2.744 N/A THR 50.A N HIS 99.A O no hydrogen 3.036 N/A THR 50.A OG1 ASN 103.A OD1 no hydrogen 2.749 N/A TYR 52.A OH SER 12.A O no hydrogen 2.851 N/A TYR 52.A OH ILE 66.A O no hydrogen 3.040 N/A HIS 56.A N ASP 53.A OD1 no hydrogen 2.835 N/A VAL 57.A N ASP 53.A O no hydrogen 3.109 N/A VAL 59.A N HIS 56.A O no hydrogen 2.830 N/A LEU 60.A N VAL 57.A O no hydrogen 2.805 N/A GLU 63.A N LEU 60.A O no hydrogen 2.876 N/A LYS 64.A N PRO 61.A O no hydrogen 2.933 N/A LYS 64.A NZ GLU 29.A OE1 no hydrogen 2.571 N/A ILE 66.A N SER 12.A O no hydrogen 3.049 N/A GLN 67.A NE2 GLY 10.A O no hydrogen 3.103 N/A GLN 67.A NE2 TYR 52.A O no hydrogen 3.256 N/A GLU 68.A N GLN 71.A OE1 no hydrogen 2.855 N/A GLN 71.A N GLU 68.A O no hydrogen 2.840 N/A GLN 71.A NE2 ASP 9.A OD2 no hydrogen 3.412 N/A THR 72.A OG1 LYS 69.A O no hydrogen 3.172 N/A GLY 75.A N THR 72.A OG1 no hydrogen 2.949 N/A ALA 76.A N THR 72.A O no hydrogen 2.832 N/A LEU 77.A N ILE 73.A O no hydrogen 2.911 N/A GLY 78.A N PRO 74.A O no hydrogen 2.879 N/A LEU 79.A N GLY 75.A O no hydrogen 3.249 N/A LEU 79.A N ALA 76.A O no hydrogen 3.274 N/A LEU 80.A N LEU 77.A O no hydrogen 2.928 N/A GLY 81.A N GLY 78.A O no hydrogen 3.020 N/A LEU 82.A N LEU 77.A O no hydrogen 2.960 N/A GLU 83.A N ASP 86.A OD2 no hydrogen 2.845 N/A ASP 86.A N GLU 83.A O no hydrogen 2.873 N/A ILE 87.A N PRO 84.A O no hydrogen 2.950 N/A ASP 88.A N ARG 45.A O no hydrogen 2.860 N/A VAL 89.A N ARG 45.A O no hydrogen 3.204 N/A VAL 90.A N LYS 110.A O no hydrogen 2.767 N/A VAL 91.A N LEU 47.A O no hydrogen 2.849 N/A ASN 92.A N ILE 112.A O no hydrogen 3.055 N/A ASN 92.A ND2 HIS 99.A O no hydrogen 2.952 N/A ASN 92.A ND2 ASN 103.A OD1 no hydrogen 2.969 N/A SER 93.A N ASP 49.A OD2 no hydrogen 2.798 N/A SER 93.A OG ASP 49.A OD1 no hydrogen 2.826 N/A SER 93.A OG ASP 49.A OD2 no hydrogen 3.113 N/A SER 93.A OG HIS 94.A ND1 no hydrogen 2.827 N/A HIS 94.A ND1 SER 93.A OG no hydrogen 2.827 N/A PHE 95.A N GLU 117.A OE1 no hydrogen 3.248 N/A PHE 97.A N GLY 131.A O no hydrogen 2.850 N/A HIS 99.A N HIS 96.A O no hydrogen 2.947 N/A HIS 99.A ND1 ASP 49.A OD1 no hydrogen 2.838 N/A HIS 99.A NE2 ASP 205.A OD2 no hydrogen 2.968 N/A CYS 100.A SG PHE 95.A O no hydrogen 3.710 N/A CYS 100.A SG HIS 96.A O no hydrogen 3.482 N/A CYS 100.A SG ASP 134.A O no hydrogen 3.944 N/A GLY 101.A N GLY 51.A O no hydrogen 2.817 N/A GLY 102.A N THR 50.A OG1 no hydrogen 2.975 N/A ASN 103.A N CYS 100.A O no hydrogen 3.296 N/A ASN 103.A ND2 ASN 92.A OD1 no hydrogen 2.884 N/A LYS 104.A NZ ASP 53.A OD2 no hydrogen 3.446 N/A TYR 105.A N GLY 102.A O no hydrogen 3.145 N/A PHE 106.A N ASN 103.A O no hydrogen 2.912 N/A ALA 109.A N PHE 106.A O no hydrogen 3.021 N/A LYS 110.A N ASP 88.A O no hydrogen 2.998 N/A LYS 111.A NZ PHE 106.A O no hydrogen 2.853 N/A LYS 111.A NZ ALA 109.A O no hydrogen 2.884 N/A LYS 111.A NZ ASN 159.A O no hydrogen 2.792 N/A ILE 112.A N VAL 90.A O no hydrogen 2.908 N/A CYS 113.A N GLU 163.A O no hydrogen 3.215 N/A CYS 113.A SG HIS 114.A O no hydrogen 3.365 N/A ARG 115.A N ILE 165.A O no hydrogen 2.816 N/A GLU 117.A N HIS 114.A O no hydrogen 2.983 N/A GLN 120.A N SER 116.A O no hydrogen 3.057 N/A ALA 121.A N GLU 117.A O no hydrogen 2.920 N/A CYS 122.A N VAL 118.A O no hydrogen 2.944 N/A CYS 122.A SG VAL 118.A O no hydrogen 3.397 N/A ASN 123.A N PRO 119.A O no hydrogen 2.995 N/A ASN 123.A N GLN 120.A O no hydrogen 3.212 N/A GLN 125.A N GLU 128.A OE2 no hydrogen 2.978 N/A GLU 128.A N GLN 125.A O no hydrogen 2.853 N/A TYR 132.A N GLU 128.A O no hydrogen 2.966 N/A TYR 132.A OH GLU 117.A OE1 no hydrogen 2.667 N/A TYR 132.A OH GLU 117.A OE2 no hydrogen 3.285 N/A SER 133.A OG LEU 130.A O no hydrogen 2.697 N/A LEU 135.A N GLN 150.A OE1 no hydrogen 2.578 N/A SER 136.A N ASP 134.A OD2 no hydrogen 3.009 N/A SER 136.A OG ASP 134.A OD2 no hydrogen 2.809 N/A SER 138.A N LEU 135.A O no hydrogen 3.075 N/A ALA 139.A N SER 160.A OG no hydrogen 3.047 N/A ALA 141.A N SER 138.A OG no hydrogen 2.939 N/A ALA 142.A N SER 138.A O no hydrogen 2.832 N/A GLU 143.A N ALA 139.A O no hydrogen 2.916 N/A ALA 144.A N GLU 140.A O no hydrogen 3.019 N/A ARG 145.A N ALA 141.A O no hydrogen 2.960 N/A ARG 145.A N ALA 142.A O no hydrogen 3.236 N/A ARG 145.A NH1 ALA 121.A O no hydrogen 2.942 N/A ARG 145.A NH1 TYR 132.A O no hydrogen 2.787 N/A ARG 145.A NH2 TYR 132.A O no hydrogen 3.031 N/A GLY 146.A N GLU 143.A O no hydrogen 3.312 N/A ALA 147.A N ALA 142.A O no hydrogen 2.797 N/A GLN 150.A N ALA 147.A O no hydrogen 2.952 N/A GLN 150.A NE2 SER 133.A O no hydrogen 2.977 N/A LEU 151.A N THR 148.A O no hydrogen 3.069 N/A THR 155.A N LEU 152.A O no hydrogen 3.081 N/A THR 155.A OG1 LEU 152.A O no hydrogen 2.836 N/A THR 156.A N ASN 159.A OD1 no hydrogen 2.867 N/A ARG 157.A NE GLU 143.A OE1 no hydrogen 3.473 N/A ARG 157.A NH2 GLU 143.A OE1 no hydrogen 3.025 N/A ASN 159.A N THR 156.A O no hydrogen 3.210 N/A ASN 159.A N THR 156.A OG1 no hydrogen 3.158 N/A ASN 159.A ND2 GLY 154.A O no hydrogen 2.893 N/A SER 160.A N ARG 157.A O no hydrogen 3.223 N/A SER 160.A OG THR 156.A O no hydrogen 2.709 N/A THR 161.A OG1 ARG 157.A O no hydrogen 2.657 N/A GLU 163.A N LYS 111.A O no hydrogen 2.806 N/A ILE 165.A N CYS 113.A O no hydrogen 2.990 N/A VAL 169.A N LEU 177.A O no hydrogen 3.168 N/A LEU 171.A N VAL 175.A O no hydrogen 2.746 N/A ALA 172.A N VAL 175.A O no hydrogen 3.465 N/A ARG 173.A N GLU 43.A OE2 no hydrogen 2.787 N/A VAL 175.A N ALA 172.A O no hydrogen 2.927 N/A LYS 176.A N LEU 191.A O no hydrogen 2.856 N/A LEU 177.A N VAL 169.A O no hydrogen 2.787 N/A ILE 178.A N SER 189.A O no hydrogen 2.909 N/A SER 179.A N ASP 168.A OD1 no hydrogen 2.860 N/A THR 180.A N HIS 187.A O no hydrogen 2.870 N/A THR 180.A OG1 HIS 187.A ND1 no hydrogen 2.898 N/A THR 180.A OG1 HIS 187.A O no hydrogen 3.432 N/A THR 180.A OG1 SER 189.A OG no hydrogen 2.805 N/A GLY 182.A N SER 184.A O no hydrogen 3.035 N/A HIS 183.A ND1 PHE 221.A O no hydrogen 2.808 N/A HIS 183.A NE2 HIS 94.A NE2 no hydrogen 3.054 N/A SER 184.A OG GLU 117.A OE2 no hydrogen 2.747 N/A GLY 186.A N GLU 117.A OE2 no hydrogen 2.766 N/A HIS 187.A N SER 184.A O no hydrogen 3.412 N/A HIS 187.A ND1 THR 180.A OG1 no hydrogen 2.898 N/A TYR 188.A N SER 93.A O no hydrogen 3.020 N/A TYR 188.A OH GLY 167.A O no hydrogen 2.781 N/A SER 189.A N ILE 178.A O no hydrogen 2.816 N/A SER 189.A OG THR 180.A OG1 no hydrogen 2.805 N/A SER 189.A OG THR 203.A O no hydrogen 2.749 N/A LEU 190.A N PHE 202.A O no hydrogen 2.989 N/A LEU 191.A N LYS 176.A O no hydrogen 2.873 N/A VAL 192.A N ILE 200.A O no hydrogen 2.883 N/A GLU 193.A N GLY 174.A O no hydrogen 2.724 N/A ARG 196.A NE ASP 2.A OD1 no hydrogen 2.959 N/A ARG 196.A NH1 HIS 264.A O no hydrogen 2.430 N/A ARG 196.A NH2 ASP 2.A OD1 no hydrogen 2.820 N/A ARG 196.A NH2 HIS 264.A O no hydrogen 3.196 N/A ARG 197.A NE.B LYS 198.A O no hydrogen 2.696 N/A ARG 197.A NH1.A LYS 198.A O no hydrogen 2.973 N/A ARG 197.A NH2.B LYS 198.A O no hydrogen 3.176 N/A ARG 197.A NH2.B GLU 244.A OE1 no hydrogen 3.127 N/A ILE 200.A N VAL 192.A O no hydrogen 2.954 N/A LEU 201.A N GLU 244.A O no hydrogen 2.740 N/A PHE 202.A N LEU 190.A O no hydrogen 2.743 N/A THR 203.A OG1 ILE 204.A O no hydrogen 3.145 N/A THR 203.A OG1 ALA 207.A O no hydrogen 2.868 N/A ASP 205.A N HIS 187.A NE2 no hydrogen 2.933 N/A ALA 206.A N THR 203.A O no hydrogen 3.286 N/A ALA 207.A N ILE 204.A O no hydrogen 3.297 N/A THR 209.A N SER 212.A OG no hydrogen 3.185 N/A THR 209.A OG1 SER 212.A OG no hydrogen 2.802 N/A GLN 210.A N ASP 249.A OD2 no hydrogen 3.016 N/A GLN 210.A NE2 GLU 214.A OE1 no hydrogen 3.045 N/A SER 212.A N THR 209.A OG1 no hydrogen 2.998 N/A SER 212.A OG THR 209.A OG1 no hydrogen 2.802 N/A LEU 213.A N THR 209.A O no hydrogen 3.268 N/A GLU 214.A N GLN 210.A O no hydrogen 2.968 N/A THR 215.A N LYS 211.A O no hydrogen 2.943 N/A THR 215.A OG1 LYS 211.A O no hydrogen 2.748 N/A THR 215.A OG1 SER 212.A O no hydrogen 3.562 N/A LEU 216.A N LEU 213.A O no hydrogen 3.434 N/A CYS 217.A N SER 212.A O no hydrogen 3.057 N/A CYS 217.A SG TRP 22.A O no hydrogen 3.594 N/A CYS 217.A SG GLN 218.A O no hydrogen 3.948 N/A GLN 218.A NE2 PRO 225.A O no hydrogen 2.935 N/A ALA 220.A N HIS 19.A O no hydrogen 2.790 N/A ILE 223.A N GLY 182.A O no hydrogen 2.855 N/A ASP 224.A N GLY 182.A O no hydrogen 3.090 N/A VAL 226.A N ASP 224.A OD1 no hydrogen 2.933 N/A ALA 227.A N ASP 224.A OD1 no hydrogen 3.115 N/A GLY 228.A N ASP 224.A O no hydrogen 2.890 N/A VAL 229.A N PRO 225.A O no hydrogen 3.044 N/A ASN 230.A N VAL 226.A O no hydrogen 3.025 N/A SER 231.A N ALA 227.A O no hydrogen 2.772 N/A SER 231.A OG PRO 181.A O no hydrogen 2.679 N/A SER 231.A OG ALA 227.A O no hydrogen 3.145 N/A LYS 233.A N ASN 230.A O no hydrogen 2.907 N/A LYS 233.A NZ ASP 168.A OD1 no hydrogen 2.852 N/A LYS 233.A NZ ASP 168.A OD2 no hydrogen 3.202 N/A LYS 233.A NZ SER 179.A O no hydrogen 2.811 N/A VAL 234.A N SER 231.A O no hydrogen 2.950 N/A LYS 235.A NZ.A LEU 213.A O no hydrogen 3.358 N/A LYS 235.A NZ.B LEU 213.A O no hydrogen 2.774 N/A LYS 235.A NZ.B GLU 214.A O no hydrogen 3.563 N/A LYS 236.A N ARG 232.A O no hydrogen 2.976 N/A LYS 236.A NZ.A ASP 240.A OD2 no hydrogen 2.704 N/A LEU 237.A N LYS 233.A O no hydrogen 2.893 N/A ALA 238.A N VAL 234.A O no hydrogen 2.964 N/A GLU 239.A N LYS 235.A O no hydrogen 3.049 N/A ASP 240.A N LYS 236.A O no hydrogen 2.881 N/A HIS 241.A N LEU 237.A O no hydrogen 2.972 N/A GLY 242.A N GLU 239.A O no hydrogen 3.341 N/A ALA 243.A N ALA 238.A O no hydrogen 2.856 N/A GLU 244.A N PRO 199.A O no hydrogen 2.966 N/A SER 247.A OG ILE 204.A O no hydrogen 3.014 N/A SER 247.A OG ASP 205.A OD1 no hydrogen 2.856 N/A HIS 248.A N TYR 208.A O no hydrogen 2.880 N/A HIS 248.A ND1 PRO 33.A O no hydrogen 2.872 N/A ASN 251.A N ASP 249.A OD1 no hydrogen 3.230 N/A ASN 251.A ND2 GLN 210.A OE1 no hydrogen 3.088 N/A ASN 251.A ND2 ASP 249.A OD2 no hydrogen 2.800 N/A PHE 252.A N ASP 249.A O no hydrogen 2.860 N/A THR 254.A N ASN 251.A O no hydrogen 2.851 N/A THR 254.A OG1 ASN 251.A O no hydrogen 2.619 N/A TYR 255.A N PHE 252.A O no hydrogen 2.924 N/A ARG 256.A N TYR 262.A OH no hydrogen 2.968 N/A ARG 256.A NH1 PHE 261.A O no hydrogen 2.851 N/A GLY 258.A N LEU 7.A O no hydrogen 3.401 N/A GLN 260.A N THR 257.A O no hydrogen 3.165 N/A TYR 262.A N VAL 5.A O no hydrogen 2.884 N/A