Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4uua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 1.A O no hydrogen 3.515 N/A ARG 6.A N LEU 2.A O no hydrogen 2.745 N/A ARG 6.A NE ALA 260.A O no hydrogen 3.104 N/A ARG 6.A NH2 GLU 262.A O no hydrogen 2.239 N/A GLU 7.A N THR 3.A O no hydrogen 3.079 N/A HIS 8.A N ALA 4.A O no hydrogen 3.320 N/A PHE 9.A N PHE 5.A O no hydrogen 2.909 N/A ALA 10.A N ARG 6.A O no hydrogen 2.766 N/A LYS 11.A N GLU 7.A O no hydrogen 3.383 N/A LYS 11.A N HIS 8.A O no hydrogen 3.074 N/A ALA 12.A N HIS 8.A O no hydrogen 2.864 N/A ALA 12.A N PHE 9.A O no hydrogen 3.234 N/A LYS 13.A N ASP 205.A OD1 no hydrogen 3.202 N/A LYS 13.A N ASP 205.A OD2 no hydrogen 3.084 N/A HIS 14.A N ASP 205.A OD1 no hydrogen 2.934 N/A HIS 14.A ND1 SER 96.A OG no hydrogen 2.780 N/A ILE 15.A N SER 96.A O no hydrogen 3.019 N/A ALA 16.A N LEU 206.A O no hydrogen 3.028 N/A ILE 17.A N VAL 98.A O no hydrogen 2.789 N/A ILE 18.A N LEU 208.A O no hydrogen 2.762 N/A THR 19.A N ILE 100.A O no hydrogen 2.825 N/A THR 19.A OG1 THR 101.A OG1 no hydrogen 2.778 N/A THR 19.A OG1 HIS 108.A NE2 no hydrogen 2.853 N/A GLY 20.A N VAL 210.A O no hydrogen 2.919 N/A GLY 22.A N GLY 211.A O no hydrogen 3.004 N/A VAL 23.A N GLY 20.A O no hydrogen 3.251 N/A SER 24.A OG ASP 105.A OD2 no hydrogen 2.522 N/A ALA 25.A N ALA 21.A O no hydrogen 2.827 N/A GLU 26.A N GLY 22.A O no hydrogen 3.245 N/A SER 27.A N SER 24.A O no hydrogen 3.158 N/A SER 27.A OG MET 75.A O no hydrogen 2.831 N/A GLY 28.A N ALA 25.A O no hydrogen 2.753 N/A VAL 29.A N SER 24.A O no hydrogen 3.171 N/A GLY 37.A N GLY 34.A O no hydrogen 3.222 N/A TRP 39.A N TRP 42.A O no hydrogen 2.762 N/A TRP 39.A NE1 GLY 150.A O no hydrogen 3.100 N/A ARG 40.A N PRO 152.A O no hydrogen 2.778 N/A ARG 40.A NE ALA 151.A O no hydrogen 2.796 N/A ARG 40.A NH1 GLU 62.A OE2 no hydrogen 3.270 N/A ARG 40.A NH2 GLU 62.A OE1 no hydrogen 2.565 N/A ARG 40.A NH2 ALA 151.A O no hydrogen 3.549 N/A TRP 42.A N TRP 39.A O no hydrogen 3.037 N/A GLN 43.A N ASP 46.A OD2 no hydrogen 3.108 N/A GLN 43.A NE2 GLY 34.A O no hydrogen 2.976 N/A GLN 43.A NE2 GLY 37.A O no hydrogen 3.295 N/A ALA 44.A N PHE 32.A O no hydrogen 3.352 N/A GLN 45.A N GLN 45.A OE1 no hydrogen 3.119 N/A ASP 46.A N GLN 43.A O no hydrogen 2.856 N/A LEU 47.A N ALA 44.A O no hydrogen 2.840 N/A ALA 48.A N ALA 44.A O no hydrogen 2.630 N/A THR 49.A N LEU 47.A O no hydrogen 2.949 N/A ALA 52.A N THR 49.A OG1 no hydrogen 2.839 N/A PHE 53.A N THR 49.A O no hydrogen 3.358 N/A SER 54.A N PRO 50.A O no hydrogen 2.771 N/A ARG 55.A N GLU 51.A O no hydrogen 2.897 N/A ASP 56.A N ALA 52.A O no hydrogen 2.607 N/A LEU 59.A N ASP 56.A OD1 no hydrogen 3.323 N/A VAL 60.A N ASP 56.A O no hydrogen 3.168 N/A TRP 61.A N PRO 57.A O no hydrogen 2.774 N/A TRP 61.A NE1 LEU 178.A O no hydrogen 2.912 N/A GLU 62.A N SER 58.A O no hydrogen 2.673 N/A PHE 63.A N LEU 59.A O no hydrogen 3.039 N/A TYR 64.A N VAL 60.A O no hydrogen 2.999 N/A HIS 65.A N TRP 61.A O no hydrogen 2.737 N/A TYR 66.A N GLU 62.A O no hydrogen 2.924 N/A ARG 67.A N PHE 63.A O no hydrogen 3.032 N/A ARG 68.A N TYR 64.A O no hydrogen 2.826 N/A ARG 68.A NH1 LEU 123.A O no hydrogen 3.085 N/A ARG 68.A NH1 ASN 137.A O no hydrogen 3.007 N/A ARG 68.A NH2 ASN 137.A OD1 no hydrogen 2.861 N/A ARG 68.A NH2 LYS 139.A O no hydrogen 2.783 N/A GLU 69.A N HIS 65.A O no hydrogen 2.873 N/A VAL 70.A N TYR 66.A O no hydrogen 2.892 N/A ARG 72.A N GLU 69.A O no hydrogen 3.083 N/A SER 73.A N VAL 70.A O no hydrogen 3.216 N/A SER 73.A OG VAL 70.A O no hydrogen 3.496 N/A LYS 74.A N MET 71.A O no hydrogen 3.333 N/A ASN 77.A N HIS 80.A ND1 no hydrogen 3.174 N/A ASN 77.A ND2 VAL 23.A O no hydrogen 2.823 N/A ALA 79.A N ASN 77.A OD1 no hydrogen 2.837 N/A HIS 80.A N ASN 77.A OD1 no hydrogen 3.332 N/A LEU 81.A N ASN 77.A O no hydrogen 3.266 N/A ALA 82.A N PRO 78.A O no hydrogen 2.902 N/A ILE 83.A N ALA 79.A O no hydrogen 3.011 N/A ALA 84.A N HIS 80.A O no hydrogen 3.056 N/A GLU 85.A N LEU 81.A O no hydrogen 2.799 N/A CYS 86.A N ALA 82.A O no hydrogen 2.936 N/A GLU 87.A N ILE 83.A O no hydrogen 2.905 N/A ALA 88.A N ALA 84.A O no hydrogen 3.191 N/A ARG 89.A N GLU 85.A O no hydrogen 2.850 N/A LEU 90.A N CYS 86.A O no hydrogen 2.857 N/A GLY 91.A N GLU 87.A O no hydrogen 2.883 N/A GLN 92.A N ALA 88.A O no hydrogen 3.314 N/A GLN 93.A N LEU 90.A O no hydrogen 2.718 N/A GLY 94.A N GLY 91.A O no hydrogen 3.009 N/A ARG 95.A N LEU 90.A O no hydrogen 3.024 N/A ARG 95.A NE ALA 12.A O no hydrogen 2.808 N/A ARG 95.A NH1 GLN 93.A OE1 no hydrogen 2.944 N/A ARG 95.A NH2 ALA 12.A O no hydrogen 2.780 N/A SER 96.A N LYS 13.A O no hydrogen 2.891 N/A SER 96.A OG HIS 14.A ND1 no hydrogen 2.780 N/A VAL 98.A N ILE 15.A O no hydrogen 2.983 N/A ILE 99.A N HIS 115.A O no hydrogen 3.080 N/A ILE 100.A N ILE 17.A O no hydrogen 2.821 N/A THR 101.A N TYR 117.A O no hydrogen 2.975 N/A THR 101.A OG1 THR 19.A O no hydrogen 3.408 N/A THR 101.A OG1 THR 19.A OG1 no hydrogen 2.778 N/A GLN 102.A N THR 19.A O no hydrogen 2.912 N/A ASN 103.A N THR 101.A OG1 no hydrogen 2.971 N/A ASN 103.A ND2 GLY 20.A O no hydrogen 3.082 N/A LEU 107.A N ASP 105.A OD1 no hydrogen 3.037 N/A HIS 108.A NE2 THR 19.A OG1 no hydrogen 2.853 N/A HIS 109.A N GLU 106.A O no hydrogen 3.163 N/A ARG 110.A N GLU 106.A O no hydrogen 3.093 N/A ARG 110.A NH1 MET 71.A O no hydrogen 2.955 N/A ARG 110.A NH1 LYS 74.A O no hydrogen 3.318 N/A ARG 110.A NH2 LYS 74.A O no hydrogen 2.905 N/A ALA 111.A N LEU 107.A O no hydrogen 2.994 N/A GLY 112.A N HIS 109.A O no hydrogen 3.028 N/A SER 113.A N HIS 108.A O no hydrogen 2.927 N/A SER 113.A OG HIS 108.A O no hydrogen 3.250 N/A LYS 114.A N GLU 87.A OE1 no hydrogen 3.312 N/A LYS 114.A N GLU 87.A OE2 no hydrogen 3.118 N/A HIS 115.A N GLU 87.A OE2 no hydrogen 3.051 N/A TYR 117.A N ILE 99.A O no hydrogen 2.691 N/A TYR 117.A OH GLU 200.A OE2 no hydrogen 2.915 N/A ILE 119.A N THR 101.A O no hydrogen 3.179 N/A HIS 120.A NE2 TYR 217.A OH no hydrogen 2.793 N/A GLY 121.A N GLU 118.A O no hydrogen 3.248 N/A SER 122.A N HIS 181.A O no hydrogen 2.880 N/A SER 122.A OG GLU 106.A OE2 no hydrogen 2.886 N/A LEU 123.A N ILE 104.A O no hydrogen 2.937 N/A PHE 124.A N SER 122.A OG no hydrogen 3.014 N/A LYS 125.A N SER 122.A O no hydrogen 3.021 N/A THR 126.A N LYS 135.A O no hydrogen 2.939 N/A THR 126.A OG1 LYS 135.A O no hydrogen 3.400 N/A ARG 127.A N ARG 179.A O no hydrogen 2.663 N/A ARG 127.A NH1 HIS 181.A ND1 no hydrogen 3.011 N/A CYS 128.A N GLU 133.A O no hydrogen 3.196 N/A MET 129.A N LEU 177.A O no hydrogen 2.823 N/A GLY 132.A N CYS 128.A O no hydrogen 2.887 N/A LYS 135.A N THR 126.A O no hydrogen 3.222 N/A LYS 135.A NZ GLU 170.A OE2 no hydrogen 3.266 N/A ASN 137.A N PHE 124.A O no hydrogen 2.959 N/A HIS 138.A NE2 GLU 106.A OE1 no hydrogen 2.772 N/A SER 140.A OG GLU 69.A OE1 no hydrogen 2.806 N/A SER 140.A OG GLU 69.A OE2 no hydrogen 2.844 N/A CYS 143.A SG LEU 165.A O no hydrogen 3.603 N/A LEU 146.A N CYS 143.A O no hydrogen 3.052 N/A ASP 147.A N PRO 144.A O no hydrogen 2.825 N/A LYS 149.A N LEU 146.A O no hydrogen 2.809 N/A GLY 150.A N GLU 62.A OE1 no hydrogen 3.182 N/A ASP 153.A N ASP 153.A OD1 no hydrogen 2.583 N/A THR 156.A N ASP 153.A O no hydrogen 2.868 N/A THR 156.A OG1 ASP 153.A O no hydrogen 2.800 N/A ALA 159.A N GLU 62.A OE2 no hydrogen 3.010 N/A ILE 161.A N SER 58.A OG no hydrogen 3.246 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.684 N/A LEU 165.A N PRO 162.A O no hydrogen 3.058 N/A LEU 166.A N VAL 163.A O no hydrogen 3.230 N/A ARG 168.A NE ASN 175.A O no hydrogen 3.157 N/A ARG 168.A NH1 VAL 163.A O no hydrogen 2.901 N/A ARG 168.A NH2 ASN 175.A O no hydrogen 2.956 N/A CYS 169.A N GLY 176.A O no hydrogen 2.661 N/A CYS 174.A N ARG 171.A O no hydrogen 2.710 N/A ASN 175.A N ARG 171.A O no hydrogen 3.070 N/A LEU 178.A N PRO 167.A O no hydrogen 2.849 N/A ARG 179.A N ARG 127.A O no hydrogen 2.875 N/A ARG 179.A NE PRO 180.A O no hydrogen 3.309 N/A ARG 179.A NH1 GLU 187.A OE1 no hydrogen 3.510 N/A ARG 179.A NH1 GLU 187.A OE2 no hydrogen 2.923 N/A ARG 179.A NH2 VAL 182.A O no hydrogen 2.815 N/A ARG 179.A NH2 GLU 187.A OE1 no hydrogen 2.894 N/A HIS 181.A N LYS 125.A O no hydrogen 3.033 N/A VAL 182.A N PRO 180.A O no hydrogen 2.697 N/A VAL 183.A N HIS 120.A O no hydrogen 3.053 N/A TRP 184.A N GLU 187.A OE1 no hydrogen 3.069 N/A TRP 184.A NE1 TYR 64.A OH no hydrogen 2.885 N/A PHE 185.A N ALA 48.A O no hydrogen 3.028 N/A GLU 187.A N TRP 184.A O no hydrogen 3.149 N/A THR 188.A OG1 LEU 189.A O no hydrogen 3.219 N/A ILE 193.A N ASP 190.A OD1 no hydrogen 3.029 N/A LEU 194.A N ASP 190.A O no hydrogen 3.257 N/A THR 195.A N SER 191.A O no hydrogen 2.908 N/A THR 195.A OG1 SER 191.A O no hydrogen 2.718 N/A ALA 196.A N ASP 192.A O no hydrogen 3.198 N/A VAL 197.A N ILE 193.A O no hydrogen 2.853 N/A GLU 198.A N LEU 194.A O no hydrogen 2.863 N/A ARG 199.A N THR 195.A O no hydrogen 3.143 N/A GLU 200.A N ALA 196.A O no hydrogen 2.883 N/A LEU 201.A N VAL 197.A O no hydrogen 2.750 N/A GLU 202.A N GLU 198.A O no hydrogen 2.902 N/A LYS 203.A N ARG 199.A O no hydrogen 3.119 N/A CYS 204.A SG LEU 201.A O no hydrogen 3.521 N/A CYS 204.A SG LEU 206.A O no hydrogen 3.643 N/A ASP 205.A N HIS 14.A O no hydrogen 2.767 N/A CYS 207.A N PRO 232.A O no hydrogen 3.210 N/A CYS 207.A SG ALA 16.A O no hydrogen 3.895 N/A LEU 208.A N ALA 16.A O no hydrogen 2.885 N/A VAL 209.A N ALA 234.A O no hydrogen 2.705 N/A VAL 210.A N ILE 18.A O no hydrogen 2.781 N/A GLY 211.A N PHE 236.A O no hydrogen 2.697 N/A THR 212.A OG1 SER 213.A O no hydrogen 3.466 N/A SER 214.A N GLU 235.A OE2 no hydrogen 2.941 N/A SER 214.A OG GLU 235.A OE2 no hydrogen 2.736 N/A ILE 215.A N SER 213.A OG no hydrogen 2.960 N/A VAL 216.A N SER 213.A O no hydrogen 3.340 N/A TYR 217.A OH HIS 120.A NE2 no hydrogen 2.793 N/A ALA 220.A N VAL 216.A O no hydrogen 3.162 N/A MET 221.A N PRO 218.A O no hydrogen 3.036 N/A PHE 222.A N ALA 219.A O no hydrogen 3.059 N/A ALA 223.A N ALA 219.A O no hydrogen 2.968 N/A GLN 225.A NE2 GLU 198.A O no hydrogen 3.420 N/A GLN 225.A NE2 GLU 202.A OE1 no hydrogen 2.857 N/A VAL 226.A N PHE 222.A O no hydrogen 3.155 N/A ALA 227.A N ALA 223.A O no hydrogen 2.790 N/A SER 228.A N PRO 224.A O no hydrogen 2.963 N/A SER 228.A OG PRO 224.A O no hydrogen 2.878 N/A SER 228.A OG GLN 225.A O no hydrogen 2.895 N/A ARG 229.A N VAL 226.A O no hydrogen 3.110 N/A ARG 229.A NH1 LEU 201.A O no hydrogen 2.814 N/A ARG 229.A NH2 CYS 204.A O no hydrogen 2.727 N/A GLY 230.A N ALA 227.A O no hydrogen 2.892 N/A ALA 234.A N CYS 207.A O no hydrogen 2.784 N/A GLU 235.A N TYR 247.A O no hydrogen 2.790 N/A PHE 236.A N VAL 209.A O no hydrogen 2.661 N/A ASN 237.A ND2 THR 212.A O no hydrogen 2.750 N/A ASN 237.A ND2 GLU 235.A OE1 no hydrogen 3.495 N/A GLU 239.A N ASN 237.A OD1 no hydrogen 3.222 N/A THR 241.A OG1 HIS 248.A ND1 no hydrogen 3.119 N/A TYR 247.A N VAL 233.A O no hydrogen 2.977 N/A HIS 248.A NE2 ASN 237.A OD1 no hydrogen 2.823 N/A PHE 249.A N GLU 235.A O no hydrogen 3.013 N/A GLY 251.A N ASN 237.A O no hydrogen 3.033 N/A CYS 253.A N GLU 26.A OE2 no hydrogen 2.664 N/A CYS 253.A SG GLU 26.A OE2 no hydrogen 3.571 N/A CYS 253.A SG PHE 236.A O no hydrogen 3.594 N/A GLY 254.A N GLU 26.A OE1 no hydrogen 2.911 N/A SER 255.A N PRO 252.A O no hydrogen 2.814 N/A THR 256.A N PRO 252.A O no hydrogen 2.942 N/A THR 256.A OG1 PRO 252.A O no hydrogen 3.466 N/A LEU 257.A N CYS 253.A O no hydrogen 2.887 N/A LEU 261.A N LEU 257.A O no hydrogen 3.112 N/A LEU 261.A N PRO 258.A O no hydrogen 3.266 N/A GLU 262.A N PRO 258.A O no hydrogen 3.120 N/A