Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3daj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 6.A OD2 no hydrogen 2.792 N/A THR 3.A OG1 ASP 6.A OD2 no hydrogen 2.722 N/A ASP 6.A N THR 3.A O no hydrogen 3.231 N/A PHE 7.A N LEU 4.A O no hydrogen 3.125 N/A ASP 8.A N ARG 25.A O no hydrogen 2.888 N/A GLY 10.A N LEU 23.A O no hydrogen 2.707 N/A ARG 11.A NH2 TYR 86.A OH no hydrogen 2.781 N/A LEU 13.A N VAL 21.A O no hydrogen 2.682 N/A GLY 16.A N GLY 19.A O no hydrogen 2.792 N/A ASN 20.A N VAL 37.A O no hydrogen 3.000 N/A VAL 21.A N GLY 14.A O no hydrogen 3.258 N/A TYR 22.A N LEU 35.A O no hydrogen 2.940 N/A LEU 23.A N ARG 11.A O no hydrogen 2.879 N/A ALA 24.A N LEU 33.A O no hydrogen 2.806 N/A ARG 25.A N ASP 8.A O no hydrogen 2.924 N/A GLU 26.A N PHE 31.A O no hydrogen 3.105 N/A ARG 27.A N ASP 6.A O no hydrogen 2.872 N/A GLN 28.A N GLU 26.A OE2 no hydrogen 3.440 N/A SER 29.A N GLU 26.A OE1 no hydrogen 2.866 N/A SER 29.A OG GLU 26.A OE1 no hydrogen 2.852 N/A LYS 30.A N GLU 26.A O no hydrogen 2.817 N/A LEU 33.A N ALA 24.A O no hydrogen 2.794 N/A ALA 34.A N LEU 84.A O no hydrogen 2.782 N/A LEU 35.A N TYR 22.A O no hydrogen 2.824 N/A LYS 36.A N LEU 82.A O no hydrogen 2.939 N/A VAL 37.A N ASN 20.A O no hydrogen 2.684 N/A LEU 38.A N VAL 80.A O no hydrogen 2.799 N/A PHE 39.A N PHE 18.A O no hydrogen 2.950 N/A LYS 40.A N THR 78.A O no hydrogen 2.846 N/A LEU 43.A N PHE 39.A O no hydrogen 3.253 N/A GLU 44.A N LYS 40.A O no hydrogen 2.872 N/A LYS 45.A N THR 41.A O no hydrogen 3.010 N/A ALA 46.A N GLN 42.A O no hydrogen 3.190 N/A VAL 48.A N LEU 43.A O no hydrogen 2.941 N/A LEU 52.A N VAL 48.A O no hydrogen 2.896 N/A ARG 53.A N GLU 49.A O no hydrogen 3.343 N/A ARG 54.A N HIS 50.A O no hydrogen 3.177 N/A GLU 55.A N GLN 51.A O no hydrogen 2.960 N/A VAL 56.A N LEU 52.A O no hydrogen 2.819 N/A GLU 57.A N ARG 53.A O no hydrogen 3.095 N/A ILE 58.A N ARG 54.A O no hydrogen 3.273 N/A GLN 59.A N GLU 55.A O no hydrogen 3.069 N/A GLN 59.A NE2 GLU 55.A OE2 no hydrogen 3.042 N/A GLN 59.A NE2 ASP 148.A O no hydrogen 2.803 N/A SER 60.A N VAL 56.A O no hydrogen 3.080 N/A SER 60.A OG VAL 56.A O no hydrogen 3.416 N/A SER 60.A OG GLU 57.A O no hydrogen 2.698 N/A HIS 61.A N ILE 58.A O no hydrogen 3.188 N/A HIS 61.A ND1 GLU 57.A O no hydrogen 2.753 N/A LEU 62.A N GLN 59.A O no hydrogen 3.159 N/A ARG 63.A N TYR 120.A OH no hydrogen 2.862 N/A ASN 66.A ND2 HIS 64.A NE2 no hydrogen 3.577 N/A ILE 67.A N HIS 64.A O no hydrogen 3.015 N/A LEU 68.A N ILE 146.A O no hydrogen 2.947 N/A ARG 69.A N GLU 85.A OE2 no hydrogen 3.053 N/A ARG 69.A NH1 GLN 59.A O no hydrogen 3.383 N/A ARG 69.A NH2 SER 60.A O no hydrogen 3.441 N/A TYR 71.A N ILE 83.A O no hydrogen 2.760 N/A PHE 74.A N TYR 81.A O no hydrogen 2.962 N/A ASP 76.A N ARG 79.A O no hydrogen 3.394 N/A ALA 77.A N ASP 76.A OD1 no hydrogen 2.648 N/A THR 78.A N ASP 76.A OD1 no hydrogen 3.176 N/A ARG 79.A N ASP 76.A OD1 no hydrogen 2.967 N/A ARG 79.A NE ASP 76.A OD2 no hydrogen 3.422 N/A ARG 79.A NE TYR 81.A OH no hydrogen 2.760 N/A ARG 79.A NH2 ASP 76.A OD2 no hydrogen 3.510 N/A VAL 80.A N LEU 38.A O no hydrogen 2.610 N/A TYR 81.A N PHE 74.A O no hydrogen 2.680 N/A TYR 81.A OH ASP 76.A OD2 no hydrogen 2.674 N/A LEU 82.A N LYS 36.A O no hydrogen 2.846 N/A ILE 83.A N GLY 72.A O no hydrogen 2.839 N/A LEU 84.A N ALA 34.A O no hydrogen 2.781 N/A GLU 85.A N ARG 69.A O no hydrogen 2.879 N/A LEU 89.A N LEU 138.A O no hydrogen 3.061 N/A VAL 92.A N LEU 136.A O no hydrogen 2.817 N/A TYR 93.A N PRO 133.A O no hydrogen 3.369 N/A ARG 94.A N THR 91.A OG1 no hydrogen 3.079 N/A GLU 95.A N THR 91.A O no hydrogen 3.177 N/A LEU 96.A N VAL 92.A O no hydrogen 2.820 N/A GLN 97.A N TYR 93.A O no hydrogen 2.989 N/A LYS 98.A N ARG 94.A O no hydrogen 3.012 N/A LEU 99.A N GLU 95.A O no hydrogen 3.123 N/A SER 100.A OG LEU 99.A O no hydrogen 2.546 N/A PHE 102.A N PHE 179.A O no hydrogen 2.700 N/A ARG 106.A N ASP 103.A OD1 no hydrogen 2.792 N/A ARG 106.A NH1 TYR 110.A OH no hydrogen 3.049 N/A THR 107.A N ASP 103.A O no hydrogen 3.128 N/A THR 107.A OG1 ASP 103.A O no hydrogen 2.903 N/A ALA 108.A N GLU 104.A O no hydrogen 2.985 N/A THR 109.A N GLN 105.A O no hydrogen 3.024 N/A THR 109.A OG1 GLN 105.A O no hydrogen 2.629 N/A TYR 110.A N ARG 106.A O no hydrogen 2.970 N/A TYR 110.A OH GLU 95.A OE1 no hydrogen 2.682 N/A TYR 110.A OH GLU 95.A OE2 no hydrogen 3.237 N/A ILE 111.A N THR 107.A O no hydrogen 2.951 N/A THR 112.A N ALA 108.A O no hydrogen 2.927 N/A THR 112.A OG1 ALA 108.A O no hydrogen 2.783 N/A THR 112.A OG1 SER 244.A OG no hydrogen 3.073 N/A GLU 113.A N THR 109.A O no hydrogen 2.950 N/A LEU 114.A N TYR 110.A O no hydrogen 2.869 N/A ALA 115.A N ILE 111.A O no hydrogen 2.808 N/A ASN 116.A N THR 112.A O no hydrogen 2.796 N/A ALA 117.A N GLU 113.A O no hydrogen 3.083 N/A LEU 118.A N LEU 114.A O no hydrogen 2.989 N/A SER 119.A N ALA 115.A O no hydrogen 2.850 N/A TYR 120.A N ASN 116.A O no hydrogen 2.946 N/A CYS 121.A N ALA 117.A O no hydrogen 3.210 N/A CYS 121.A SG ALA 117.A O no hydrogen 3.688 N/A HIS 122.A N LEU 118.A O no hydrogen 3.082 N/A SER 123.A N SER 119.A O no hydrogen 3.323 N/A SER 123.A OG TYR 120.A O no hydrogen 2.616 N/A LYS 124.A N CYS 121.A O no hydrogen 2.985 N/A ARG 125.A N HIS 122.A O no hydrogen 3.169 N/A VAL 126.A N CYS 121.A O no hydrogen 2.736 N/A ILE 127.A N SER 152.A O no hydrogen 2.868 N/A HIS 128.A ND1 ARG 129.A O no hydrogen 2.764 N/A HIS 128.A NE2 ASP 148.A OD1 no hydrogen 2.727 N/A ARG 129.A N GLY 150.A O no hydrogen 3.114 N/A ILE 131.A N SER 171.A OG no hydrogen 3.265 N/A LYS 132.A NZ GLU 134.A OE1 no hydrogen 3.477 N/A LYS 132.A NZ THR 153.A OG1 no hydrogen 2.810 N/A GLU 134.A N GLU 134.A OE2 no hydrogen 2.822 N/A ASN 135.A N LYS 132.A O no hydrogen 3.044 N/A LEU 136.A N PRO 133.A O no hydrogen 3.195 N/A LEU 137.A N LYS 145.A O no hydrogen 2.847 N/A LEU 138.A N GLY 90.A O no hydrogen 2.767 N/A GLY 139.A N GLU 143.A O no hydrogen 3.006 N/A ASN 141.A ND2 GLU 143.A OE1 no hydrogen 2.956 N/A GLY 142.A N GLY 139.A O no hydrogen 3.046 N/A GLU 143.A N ASN 141.A OD1 no hydrogen 3.135 N/A LEU 144.A N GLU 113.A OE2 no hydrogen 2.855 N/A LYS 145.A N LEU 137.A O no hydrogen 2.625 N/A LYS 145.A NZ PRO 65.A O no hydrogen 2.816 N/A LYS 145.A NZ GLU 85.A OE1 no hydrogen 2.918 N/A ILE 146.A N ASN 66.A O no hydrogen 2.935 N/A ALA 147.A N ASN 135.A O no hydrogen 2.823 N/A GLY 150.A N ASP 148.A OD1 no hydrogen 3.281 N/A TRP 151.A N GLU 55.A OE2 no hydrogen 3.156 N/A SER 152.A N ILE 127.A O no hydrogen 2.697 N/A SER 152.A OG ILE 127.A O no hydrogen 3.507 N/A TYR 156.A N THR 153.A O no hydrogen 3.369 N/A TYR 156.A OH GLU 178.A OE1 no hydrogen 2.926 N/A TYR 156.A OH GLU 178.A OE2 no hydrogen 2.870 N/A LEU 157.A N LEU 154.A O no hydrogen 3.051 N/A GLU 160.A N GLU 160.A OE1 no hydrogen 2.816 N/A MET 161.A N PRO 158.A O no hydrogen 3.003 N/A ILE 162.A N PRO 159.A O no hydrogen 3.367 N/A SER 171.A N VAL 167.A O no hydrogen 3.163 N/A SER 171.A OG VAL 167.A O no hydrogen 3.348 N/A LEU 172.A N ASP 168.A O no hydrogen 2.987 N/A GLY 173.A N LEU 169.A O no hydrogen 3.249 N/A VAL 174.A N TRP 170.A O no hydrogen 2.980 N/A LEU 175.A N SER 171.A O no hydrogen 2.879 N/A CYS 176.A N LEU 172.A O no hydrogen 2.906 N/A TYR 177.A N GLY 173.A O no hydrogen 3.099 N/A TYR 177.A OH THR 204.A O no hydrogen 2.670 N/A GLU 178.A N VAL 174.A O no hydrogen 2.882 N/A PHE 179.A N LEU 175.A O no hydrogen 2.784 N/A LEU 180.A N CYS 176.A O no hydrogen 3.292 N/A VAL 181.A N TYR 177.A O no hydrogen 2.852 N/A GLY 182.A N GLU 178.A O no hydrogen 2.750 N/A GLU 187.A N PRO 184.A O no hydrogen 3.329 N/A GLN 192.A N GLN 192.A OE1 no hydrogen 2.822 N/A GLU 193.A N THR 190.A OG1 no hydrogen 3.354 N/A THR 194.A N THR 190.A O no hydrogen 3.174 N/A THR 194.A OG1 THR 190.A O no hydrogen 2.731 N/A TYR 195.A N TYR 191.A O no hydrogen 2.919 N/A ARG 196.A N GLN 192.A O no hydrogen 3.026 N/A ARG 197.A N GLU 193.A O no hydrogen 2.933 N/A ILE 198.A N THR 194.A O no hydrogen 3.137 N/A SER 199.A N TYR 195.A O no hydrogen 3.058 N/A ARG 200.A N ARG 196.A O no hydrogen 2.966 N/A VAL 201.A N ILE 198.A O no hydrogen 3.033 N/A GLU 202.A N ARG 197.A O no hydrogen 2.736 N/A VAL 209.A N PRO 206.A O no hydrogen 3.184 N/A THR 210.A OG1 GLU 104.A OE1 no hydrogen 2.559 N/A ARG 214.A N THR 210.A O no hydrogen 2.869 N/A ARG 214.A NE VAL 209.A O no hydrogen 2.822 N/A ARG 214.A NH2 PRO 206.A O no hydrogen 3.095 N/A ASP 215.A N GLU 211.A O no hydrogen 2.927 N/A LEU 216.A N GLY 212.A O no hydrogen 3.214 N/A ILE 217.A N ALA 213.A O no hydrogen 2.972 N/A SER 218.A N ARG 214.A O no hydrogen 2.909 N/A SER 218.A OG ARG 214.A O no hydrogen 2.868 N/A ARG 219.A N ASP 215.A O no hydrogen 3.099 N/A ARG 219.A NE ASP 215.A OD1 no hydrogen 3.284 N/A ARG 219.A NE ASP 215.A OD2 no hydrogen 2.728 N/A ARG 219.A NH2 ASP 215.A OD1 no hydrogen 3.147 N/A LEU 220.A N LEU 216.A O no hydrogen 3.197 N/A LEU 220.A N ILE 217.A O no hydrogen 3.120 N/A LEU 221.A N ILE 217.A O no hydrogen 2.810 N/A LYS 222.A N LEU 220.A O no hydrogen 3.059 N/A ASN 224.A ND2 SER 226.A OG no hydrogen 2.783 N/A GLN 227.A N ASN 224.A O no hydrogen 3.148 N/A ARG 228.A N ALA 225.A O no hydrogen 3.419 N/A ARG 228.A NE LYS 222.A O no hydrogen 2.781 N/A ARG 228.A NH1 GLU 160.A OE1 no hydrogen 2.685 N/A ARG 228.A NH1 GLU 160.A OE2 no hydrogen 3.280 N/A ARG 228.A NH1 LYS 222.A O no hydrogen 3.193 N/A ARG 228.A NH2 GLU 160.A OE2 no hydrogen 2.839 N/A ARG 228.A NH2 LYS 166.A O no hydrogen 2.796 N/A LEU 229.A N ARG 219.A O no hydrogen 2.925 N/A THR 230.A N GLU 233.A OE1 no hydrogen 3.205 N/A VAL 234.A N THR 230.A O no hydrogen 2.767 N/A LEU 235.A N LEU 231.A O no hydrogen 3.125 N/A GLU 236.A N ALA 232.A O no hydrogen 3.198 N/A HIS 237.A N VAL 234.A O no hydrogen 3.078 N/A TRP 239.A NE1 GLU 104.A OE1 no hydrogen 2.571 N/A LYS 241.A N HIS 237.A O no hydrogen 2.886 N/A LYS 241.A NZ GLU 236.A OE1 no hydrogen 3.159 N/A ALA 242.A N PRO 238.A O no hydrogen 3.088 N/A ASN 243.A N ILE 240.A O no hydrogen 3.293 N/A ASN 243.A ND2 TRP 239.A O no hydrogen 2.918 N/A SER 244.A N ILE 240.A O no hydrogen 2.869 N/A SER 244.A OG THR 112.A OG1 no hydrogen 3.073 N/A SER 244.A OG SER 245.A O no hydrogen 3.438 N/A SER 245.A N THR 109.A OG1 no hydrogen 3.007 N/A