Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pj8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 1.A N GLU 100.A OE2 no hydrogen 2.951 N/A ARG 1.A NH1 ARG 176.A O no hydrogen 3.124 N/A ARG 1.A NH2 ARG 176.A O no hydrogen 3.230 N/A HIS 3.A N LEU 98.A O no hydrogen 3.116 N/A HIS 3.A ND1 ASP 27.A OD2 no hydrogen 2.835 N/A SER 4.A N ASP 27.A OD1 no hydrogen 2.947 N/A ARG 6.A N TYR 25.A O no hydrogen 2.890 N/A ARG 6.A NE SER 4.A OG no hydrogen 3.005 N/A ARG 6.A NH1 SER 4.A OG no hydrogen 3.395 N/A TYR 7.A N ILE 94.A O no hydrogen 2.909 N/A PHE 8.A N VAL 23.A O no hydrogen 2.767 N/A ARG 9.A N ARG 92.A O no hydrogen 2.894 N/A LEU 10.A N ILE 21.A O no hydrogen 2.734 N/A GLY 11.A N TYR 90.A O no hydrogen 2.857 N/A VAL 12.A N GLU 19.A O no hydrogen 2.887 N/A SER 13.A N HIS 88.A O no hydrogen 2.965 N/A SER 13.A OG ASP 14.A OD2 no hydrogen 3.225 N/A SER 13.A OG SER 87.A OG no hydrogen 3.251 N/A SER 13.A OG HIS 88.A O no hydrogen 2.995 N/A ILE 16.A N VAL 17.A O no hydrogen 3.264 N/A PHE 20.A N SER 36.A OG no hydrogen 3.028 N/A ILE 21.A N LEU 10.A O no hydrogen 2.825 N/A SER 22.A N TYR 34.A O no hydrogen 2.947 N/A SER 22.A OG PHE 8.A O no hydrogen 2.860 N/A VAL 23.A N PHE 8.A O no hydrogen 3.007 N/A GLY 24.A N THR 32.A O no hydrogen 3.064 N/A TYR 25.A N ARG 6.A O no hydrogen 2.890 N/A VAL 26.A N HIS 29.A O no hydrogen 3.141 N/A ASP 27.A N SER 4.A O no hydrogen 2.752 N/A HIS 29.A N VAL 26.A O no hydrogen 3.157 N/A HIS 29.A NE2 TYR 204.A OH no hydrogen 2.583 N/A ILE 31.A N GLY 24.A O no hydrogen 2.917 N/A THR 33.A N GLU 42.A O no hydrogen 2.906 N/A TYR 34.A N SER 22.A O no hydrogen 2.989 N/A TYR 34.A OH GLN 68.A OE1 no hydrogen 2.647 N/A SER 36.A N PHE 20.A O no hydrogen 3.067 N/A SER 36.A OG PHE 20.A O no hydrogen 3.327 N/A VAL 37.A N ASP 35.A OD1 no hydrogen 2.915 N/A THR 38.A N ASP 35.A O no hydrogen 3.355 N/A THR 38.A N ASP 35.A OD1 no hydrogen 2.686 N/A THR 38.A OG1 ASP 35.A O no hydrogen 3.391 N/A THR 38.A OG1 ASP 35.A OD1 no hydrogen 3.172 N/A THR 38.A OG1 GLN 40.A O no hydrogen 3.392 N/A THR 38.A OG1 GLU 42.A OE1 no hydrogen 3.404 N/A ARG 39.A N ASP 35.A O no hydrogen 2.870 N/A LYS 41.A N THR 61.A OG1 no hydrogen 2.915 N/A GLU 42.A N THR 33.A O no hydrogen 2.798 N/A ARG 44.A N ILE 31.A O no hydrogen 2.998 N/A MET 48.A N ALA 45.A O no hydrogen 3.164 N/A GLU 50.A N PRO 46.A O no hydrogen 3.173 N/A ASN 51.A N MET 48.A O no hydrogen 3.207 N/A ASN 51.A ND2 TRP 47.A O no hydrogen 2.693 N/A LEU 52.A N MET 48.A O no hydrogen 2.834 N/A HIS 56.A N ALA 53.A O no hydrogen 3.076 N/A GLU 58.A N PRO 54.A O no hydrogen 3.373 N/A ARG 59.A N ASP 55.A O no hydrogen 2.981 N/A TYR 60.A N HIS 56.A O no hydrogen 3.062 N/A THR 61.A N TRP 57.A O no hydrogen 2.987 N/A THR 61.A OG1 TRP 57.A O no hydrogen 2.827 N/A LEU 63.A N ARG 59.A O no hydrogen 3.265 N/A LEU 64.A N TYR 60.A O no hydrogen 2.763 N/A ARG 65.A N THR 61.A O no hydrogen 2.785 N/A ARG 65.A NE ARG 39.A O no hydrogen 2.805 N/A ARG 65.A NH2 ARG 39.A O no hydrogen 3.069 N/A GLY 66.A N GLN 62.A O no hydrogen 3.208 N/A TRP 67.A N LEU 63.A O no hydrogen 2.855 N/A GLN 68.A N LEU 64.A O no hydrogen 2.904 N/A MET 70.A N GLY 66.A O no hydrogen 3.198 N/A PHE 71.A N TRP 67.A O no hydrogen 3.101 N/A LYS 72.A N GLN 68.A O no hydrogen 3.102 N/A VAL 73.A N GLN 69.A O no hydrogen 3.317 N/A GLU 74.A N MET 70.A O no hydrogen 2.979 N/A LEU 75.A N PHE 71.A O no hydrogen 3.024 N/A LYS 76.A N LYS 72.A O no hydrogen 3.031 N/A ARG 77.A N VAL 73.A O no hydrogen 3.181 N/A LEU 78.A N GLU 74.A O no hydrogen 2.996 N/A GLN 79.A N LEU 75.A O no hydrogen 2.988 N/A ARG 80.A N LYS 76.A O no hydrogen 3.048 N/A HIS 81.A N ARG 77.A O no hydrogen 2.921 N/A TYR 82.A N LEU 78.A O no hydrogen 3.246 N/A TYR 82.A OH ASP 131.A OD2 no hydrogen 3.366 N/A ASN 83.A N ARG 80.A O no hydrogen 3.284 N/A HIS 84.A N GLN 79.A O no hydrogen 3.270 N/A HIS 84.A ND1 TYR 112.A OH no hydrogen 3.145 N/A SER 87.A OG SER 13.A OG no hydrogen 3.251 N/A HIS 88.A N SER 13.A OG no hydrogen 2.538 N/A HIS 88.A ND1 ASP 113.A OD1 no hydrogen 3.090 N/A HIS 88.A ND1 ASP 113.A OD2 no hydrogen 2.877 N/A HIS 88.A NE2 SER 85.A O no hydrogen 3.183 N/A THR 89.A N ASP 113.A OD1 no hydrogen 3.151 N/A TYR 90.A N GLY 11.A O no hydrogen 2.943 N/A TYR 90.A OH GLU 74.A OE1 no hydrogen 2.790 N/A GLN 91.A N ALA 111.A O no hydrogen 2.747 N/A ARG 92.A N ARG 9.A O no hydrogen 2.935 N/A ARG 92.A NE TYR 110.A OH no hydrogen 2.778 N/A ARG 92.A NH2 TYR 110.A OH no hydrogen 3.519 N/A MET 93.A N GLN 109.A O no hydrogen 2.847 N/A ILE 94.A N TYR 7.A O no hydrogen 3.284 N/A GLY 95.A N PHE 107.A O no hydrogen 3.067 N/A CYS 96.A N LEU 5.A O no hydrogen 2.858 N/A LEU 98.A N HIS 3.A O no hydrogen 2.992 N/A LEU 99.A N SER 103.A O no hydrogen 2.825 N/A GLY 102.A N LEU 99.A O no hydrogen 2.969 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.941 N/A THR 105.A N GLU 97.A O no hydrogen 2.892 N/A THR 105.A OG1 GLU 97.A OE1 no hydrogen 3.295 N/A PHE 107.A N GLY 95.A O no hydrogen 3.470 N/A GLN 109.A N MET 93.A O no hydrogen 2.841 N/A TYR 110.A N LEU 118.A O no hydrogen 2.825 N/A ALA 111.A N GLN 91.A O no hydrogen 2.689 N/A TYR 112.A OH HIS 84.A ND1 no hydrogen 3.145 N/A ASP 113.A N THR 89.A O no hydrogen 2.653 N/A PHE 117.A N TYR 110.A O no hydrogen 2.990 N/A LEU 118.A N TYR 110.A O no hydrogen 3.332 N/A ILE 119.A N LEU 128.A O no hydrogen 3.008 N/A PHE 120.A N LEU 108.A O no hydrogen 2.947 N/A ASN 121.A N SER 126.A O no hydrogen 2.979 N/A LYS 122.A NZ GLU 156.A OE2 no hydrogen 3.213 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 3.100 N/A THR 124.A N ASN 121.A OD1 no hydrogen 2.893 N/A THR 124.A OG1 ASN 121.A OD1 no hydrogen 3.381 N/A SER 126.A N ASN 121.A O no hydrogen 3.340 N/A TRP 127.A N GLU 142.A OE1 no hydrogen 2.785 N/A LEU 128.A N ILE 119.A O no hydrogen 2.530 N/A VAL 133.A N ASP 131.A OD2 no hydrogen 2.915 N/A HIS 135.A N ASP 131.A O no hydrogen 2.784 N/A THR 136.A N VAL 133.A O no hydrogen 3.202 N/A THR 136.A OG1 ASN 132.A O no hydrogen 3.307 N/A THR 136.A OG1 VAL 133.A O no hydrogen 2.990 N/A ILE 137.A N ALA 134.A O no hydrogen 2.993 N/A LYS 138.A N ALA 134.A O no hydrogen 2.948 N/A LYS 138.A NZ TRP 127.A O no hydrogen 2.831 N/A LYS 138.A NZ GLU 142.A OE1 no hydrogen 2.701 N/A LYS 138.A NZ GLU 142.A OE2 no hydrogen 3.474 N/A GLN 139.A N HIS 135.A O no hydrogen 2.963 N/A TRP 141.A N ILE 137.A O no hydrogen 2.892 N/A GLU 142.A N LYS 138.A O no hydrogen 2.820 N/A ALA 143.A N ALA 140.A O no hydrogen 3.245 N/A GLN 145.A NE2 GLU 142.A O no hydrogen 3.616 N/A LEU 148.A N ASN 144.A O no hydrogen 3.488 N/A LEU 149.A N GLN 145.A O no hydrogen 3.046 N/A TYR 150.A N HIS 146.A O no hydrogen 2.858 N/A GLN 151.A N GLU 147.A O no hydrogen 2.905 N/A LYS 152.A N LEU 148.A O no hydrogen 3.122 N/A LYS 152.A NZ LYS 122.A O no hydrogen 2.694 N/A ASN 153.A N LEU 149.A O no hydrogen 3.204 N/A TRP 154.A N TYR 150.A O no hydrogen 2.894 N/A LEU 155.A N GLN 151.A O no hydrogen 2.916 N/A GLU 156.A N LYS 152.A O no hydrogen 2.877 N/A GLU 157.A N ASN 153.A O no hydrogen 2.830 N/A GLU 158.A N ASN 153.A O no hydrogen 3.470 N/A CYS 159.A N TRP 154.A O no hydrogen 2.700 N/A ALA 161.A N GLU 157.A O no hydrogen 3.012 N/A TRP 162.A N GLU 158.A O no hydrogen 3.110 N/A LEU 163.A N CYS 159.A O no hydrogen 2.994 N/A LYS 164.A N ILE 160.A O no hydrogen 2.955 N/A ARG 165.A N ALA 161.A O no hydrogen 3.216 N/A ARG 165.A NE TYR 169.A OH no hydrogen 2.916 N/A ARG 165.A NH2 TYR 169.A OH no hydrogen 3.357 N/A PHE 166.A N TRP 162.A O no hydrogen 3.102 N/A LEU 167.A N LEU 163.A O no hydrogen 3.001 N/A GLU 168.A N LYS 164.A O no hydrogen 3.349 N/A GLU 168.A N ARG 165.A O no hydrogen 3.062 N/A TYR 169.A N ARG 165.A O no hydrogen 3.075 N/A GLY 170.A N PHE 166.A O no hydrogen 2.948 N/A THR 173.A N GLY 170.A O no hydrogen 3.215 N/A LEU 174.A N GLY 170.A O no hydrogen 2.858 N/A GLN 175.A N LYS 171.A O no hydrogen 3.154 N/A ARG 176.A NE THR 173.A O no hydrogen 2.946 N/A ARG 176.A NH2 GLY 232.A O no hydrogen 3.361 N/A GLU 178.A N TYR 204.A O no hydrogen 2.877 N/A LEU 181.A N HIS 201.A O no hydrogen 2.971 N/A ARG 183.A N LYS 199.A O no hydrogen 2.928 N/A ASN 185.A N PHE 197.A O no hydrogen 3.108 N/A LYS 187.A N ALA 195.A O no hydrogen 3.105 N/A LEU 196.A N ILE 240.A O no hydrogen 2.933 N/A PHE 197.A N ASN 185.A O no hydrogen 3.000 N/A CYS 198.A N ALA 238.A O no hydrogen 2.904 N/A ALA 200.A N ALA 236.A O no hydrogen 2.794 N/A HIS 201.A N LEU 181.A O no hydrogen 3.122 N/A PHE 203.A N TYR 234.A O no hydrogen 3.311 N/A TYR 204.A N GLU 178.A O no hydrogen 2.918 N/A TYR 204.A OH HIS 29.A NE2 no hydrogen 2.583 N/A TYR 209.A N GLU 250.A O no hydrogen 2.876 N/A THR 211.A OG1 TRP 212.A O no hydrogen 3.520 N/A TRP 212.A NE1 ALA 238.A O no hydrogen 3.198 N/A MET 213.A N SER 246.A O no hydrogen 2.858 N/A LYS 214.A N GLU 217.A O no hydrogen 2.739 N/A ASN 215.A N LEU 244.A O no hydrogen 3.061 N/A GLU 217.A N LYS 214.A O no hydrogen 3.209 N/A ILE 219.A N TRP 212.A O no hydrogen 3.393 N/A ASP 222.A N SER 239.A O no hydrogen 2.755 N/A GLY 224.A N TRP 237.A O no hydrogen 2.797 N/A LEU 227.A N GLN 235.A O no hydrogen 2.750 N/A SER 229.A N THR 233.A O no hydrogen 3.050 N/A SER 229.A OG THR 233.A O no hydrogen 3.309 N/A SER 229.A OG GLN 235.A OE1 no hydrogen 3.356 N/A THR 233.A OG1 ASP 231.A OD1 no hydrogen 2.659 N/A THR 233.A OG1 ASP 231.A OD2 no hydrogen 3.184 N/A TYR 234.A N PHE 203.A O no hydrogen 2.771 N/A GLN 235.A N LEU 227.A O no hydrogen 2.836 N/A ALA 236.A N ALA 200.A O no hydrogen 2.846 N/A SER 239.A N ASP 222.A O no hydrogen 2.731 N/A SER 246.A N MET 213.A O no hydrogen 3.175 N/A CYS 247.A N LEU 258.A O no hydrogen 3.119 N/A CYS 247.A SG THR 211.A O no hydrogen 3.791 N/A VAL 249.A N MET 256.A O no hydrogen 2.802 N/A GLU 250.A N TYR 209.A O no hydrogen 2.870 N/A HIS 251.A N VAL 254.A O no hydrogen 3.004 N/A HIS 251.A NE2 PRO 205.A O no hydrogen 3.164 N/A GLY 253.A N GLU 250.A OE2 no hydrogen 3.202 N/A MET 256.A N VAL 249.A O no hydrogen 2.629 N/A LEU 258.A N CYS 247.A O no hydrogen 3.150 N/A VAL 260.A N TYR 245.A O no hydrogen 3.422 N/A