Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4n8u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 3.A N ASP 145.A O no hydrogen 2.672 N/A ARG 10.A N THR 47.A O no hydrogen 2.819 N/A LEU 12.A N HIS 49.A O no hydrogen 2.930 N/A LEU 14.A N GLU 51.A O no hydrogen 2.775 N/A TYR 15.A N GLY 27.A O no hydrogen 2.788 N/A ILE 16.A N GLU 53.A O no hydrogen 3.082 N/A GLU 17.A N GLY 25.A O no hydrogen 3.177 N/A LEU 19.A N GLN 23.A O no hydrogen 3.013 N/A LEU 24.A N LYS 132.A O no hydrogen 2.756 N/A GLY 25.A N GLU 17.A O no hydrogen 2.863 N/A TYR 26.A OH SER 61.A O no hydrogen 2.836 N/A GLY 27.A N TYR 15.A O no hydrogen 3.183 N/A LYS 30.A NZ GLU 53.A OE1 no hydrogen 3.494 N/A GLY 31.A N GLU 17.A OE1 no hydrogen 2.472 N/A GLY 31.A N GLU 17.A OE2 no hydrogen 3.153 N/A ARG 32.A N GLU 29.A O no hydrogen 2.780 N/A ARG 32.A NE GLU 29.A OE1 no hydrogen 2.642 N/A ARG 32.A NH2 GLU 29.A OE2 no hydrogen 3.372 N/A ALA 33.A N GLU 17.A OE1 no hydrogen 3.374 N/A THR 34.A N TYR 26.A O no hydrogen 3.087 N/A THR 34.A OG1 PRO 36.A O no hydrogen 2.867 N/A GLY 37.A N TYR 135.A O no hydrogen 2.896 N/A ILE 40.A N PRO 137.A O no hydrogen 3.054 N/A LEU 42.A N VAL 139.A O no hydrogen 2.891 N/A ASN 43.A N ASP 46.A OD2 no hydrogen 3.060 N/A GLU 44.A N ARG 141.A O no hydrogen 2.799 N/A ASP 46.A N ASN 43.A O no hydrogen 2.868 N/A THR 47.A N GLU 8.A O no hydrogen 3.149 N/A ALA 48.A N TRP 93.A O no hydrogen 2.651 N/A HIS 49.A N ARG 10.A O no hydrogen 2.871 N/A ILE 50.A N TYR 91.A O no hydrogen 2.997 N/A GLU 51.A N LEU 12.A O no hydrogen 2.796 N/A VAL 52.A N ARG 89.A O no hydrogen 2.798 N/A GLU 53.A N LEU 14.A O no hydrogen 2.939 N/A ASN 54.A N GLY 87.A O no hydrogen 2.983 N/A ASN 54.A ND2 VAL 58.A O no hydrogen 3.093 N/A ASN 54.A ND2 VAL 83.A O no hydrogen 2.883 N/A THR 55.A N ILE 16.A O no hydrogen 2.888 N/A THR 55.A OG1 ILE 16.A O no hydrogen 2.305 N/A LEU 56.A N ASN 54.A OD1 no hydrogen 2.713 N/A ALA 60.A N VAL 83.A O no hydrogen 3.071 N/A SER 61.A N ASP 118.A OD1 no hydrogen 2.698 N/A SER 61.A OG GLY 75.A O no hydrogen 2.599 N/A LEU 62.A N TYR 91.A OH no hydrogen 3.219 N/A HIS 63.A N HIS 117.A O no hydrogen 3.128 N/A HIS 65.A N HIS 115.A O no hydrogen 2.956 N/A HIS 65.A NE2 HIS 117.A NE2 no hydrogen 3.192 N/A ASP 68.A N ARG 94.A O no hydrogen 3.241 N/A SER 73.A N GLU 70.A O no hydrogen 3.193 N/A ASP 74.A N ILE 71.A O no hydrogen 3.055 N/A THR 76.A OG1 ASP 74.A OD2 no hydrogen 2.917 N/A LYS 77.A NZ VAL 120.A O no hydrogen 3.113 N/A LYS 77.A NZ THR 123.A O no hydrogen 3.491 N/A ASN 79.A N THR 76.A OG1 no hydrogen 3.117 N/A ASN 79.A ND2 ASP 74.A OD2 no hydrogen 2.754 N/A ARG 80.A N LYS 77.A O no hydrogen 3.307 N/A ARG 80.A NH2 ASP 82.A OD1 no hydrogen 3.422 N/A SER 81.A N THR 76.A O no hydrogen 2.876 N/A SER 81.A OG ILE 71.A O no hydrogen 3.215 N/A SER 81.A OG ASN 79.A O no hydrogen 3.361 N/A VAL 83.A N ALA 60.A O no hydrogen 2.649 N/A GLY 87.A N GLU 84.A O no hydrogen 3.021 N/A ARG 89.A N VAL 52.A O no hydrogen 3.031 N/A TYR 91.A N ILE 50.A O no hydrogen 2.878 N/A TYR 91.A OH SER 81.A O no hydrogen 2.623 N/A THR 92.A N SER 73.A OG no hydrogen 3.016 N/A THR 92.A OG1 HIS 49.A ND1 no hydrogen 3.358 N/A TRP 93.A N ALA 48.A O no hydrogen 2.781 N/A ARG 94.A N ASP 68.A O no hydrogen 2.679 N/A ARG 94.A NH1 THR 47.A OG1 no hydrogen 2.943 N/A THR 95.A OG1 ARG 94.A O no hydrogen 2.834 N/A HIS 96.A N SER 110.A OG no hydrogen 3.042 N/A HIS 96.A NE2 ALA 108.A O no hydrogen 2.686 N/A GLY 99.A N ARG 107.A O no hydrogen 3.208 N/A ARG 100.A NH1 GLY 104.A O no hydrogen 2.767 N/A ARG 101.A N THR 105.A O no hydrogen 2.998 N/A ARG 101.A NH1 THR 105.A OG1 no hydrogen 2.871 N/A GLY 104.A N ARG 101.A O no hydrogen 3.084 N/A THR 105.A N ASP 103.A OD1 no hydrogen 2.944 N/A THR 105.A OG1 ASP 103.A OD1 no hydrogen 2.665 N/A THR 105.A OG1 ASP 103.A OD2 no hydrogen 3.422 N/A ARG 107.A N GLY 99.A O no hydrogen 3.048 N/A SER 110.A N HIS 96.A O no hydrogen 2.891 N/A SER 110.A OG HIS 96.A O no hydrogen 3.551 N/A ALA 111.A N GLU 44.A OE2 no hydrogen 2.627 N/A GLY 112.A N VAL 140.A O no hydrogen 2.881 N/A TYR 113.A OH GLU 181.A OE2 no hydrogen 2.411 N/A TRP 114.A N VAL 138.A O no hydrogen 2.878 N/A TRP 114.A NE1 SER 110.A O no hydrogen 2.780 N/A TYR 116.A N GLY 136.A O no hydrogen 2.810 N/A TYR 116.A OH PRO 38.A O no hydrogen 2.566 N/A HIS 117.A N HIS 63.A O no hydrogen 2.903 N/A HIS 117.A NE2 HIS 65.A NE2 no hydrogen 3.192 N/A ASP 118.A N LEU 134.A O no hydrogen 3.231 N/A HIS 119.A N SER 61.A OG no hydrogen 3.205 N/A HIS 119.A ND1 HIS 119.A O no hydrogen 2.838 N/A HIS 119.A ND1 GLU 124.A O no hydrogen 3.007 N/A VAL 121.A N ASP 118.A OD2 no hydrogen 2.649 N/A THR 123.A OG1 THR 127.A OG1 no hydrogen 2.743 N/A HIS 125.A N THR 123.A OG1 no hydrogen 3.114 N/A GLY 126.A N THR 123.A O no hydrogen 3.238 N/A THR 127.A N THR 123.A OG1 no hydrogen 2.896 N/A THR 127.A OG1 THR 123.A OG1 no hydrogen 2.743 N/A GLY 129.A N VAL 121.A O no hydrogen 2.744 N/A ILE 130.A N GLY 126.A O no hydrogen 2.917 N/A ARG 131.A N THR 127.A O no hydrogen 3.240 N/A LYS 132.A N GLY 128.A O no hydrogen 3.134 N/A LYS 132.A NZ GLY 128.A O no hydrogen 3.415 N/A GLY 133.A N ILE 130.A O no hydrogen 2.982 N/A LEU 134.A N GLY 129.A O no hydrogen 2.990 N/A TYR 135.A OH ASN 163.A OD1 no hydrogen 2.359 N/A GLY 136.A N TYR 116.A O no hydrogen 2.798 N/A VAL 138.A N TRP 114.A O no hydrogen 3.096 N/A VAL 139.A N ILE 40.A O no hydrogen 2.840 N/A VAL 140.A N GLY 112.A O no hydrogen 3.195 N/A ARG 141.A N LEU 42.A O no hydrogen 2.745 N/A ARG 141.A NH1 GLU 181.A OE1 no hydrogen 3.006 N/A ARG 141.A NH1 GLU 181.A OE2 no hydrogen 2.619 N/A ARG 141.A NH2 GLU 41.A OE2 no hydrogen 3.258 N/A ARG 141.A NH2 GLU 181.A OE1 no hydrogen 2.565 N/A ARG 142.A N ASP 145.A OD2 no hydrogen 2.695 N/A GLY 144.A N ALA 3.A O no hydrogen 2.629 N/A ASP 145.A N ARG 142.A O no hydrogen 2.812 N/A LEU 147.A N ARG 1.A O no hydrogen 3.109 N/A ASP 149.A N ARG 179.A O no hydrogen 2.844 N/A THR 151.A OG1 GLU 181.A OE1 no hydrogen 2.977 N/A HIS 152.A N GLU 181.A O no hydrogen 2.692 N/A ILE 154.A N VAL 183.A O no hydrogen 2.905 N/A VAL 155.A N ASN 162.A OD1 no hydrogen 2.459 N/A PHE 156.A N ILE 185.A O no hydrogen 2.755 N/A ASN 157.A N LEU 160.A O no hydrogen 2.781 N/A ASN 157.A ND2 ILE 130.A O no hydrogen 3.052 N/A ASN 157.A ND2 ASN 163.A OD1 no hydrogen 3.063 N/A ASP 158.A N HIS 187.A O no hydrogen 3.078 N/A LEU 160.A N ASN 157.A O no hydrogen 3.131 N/A ASN 162.A N VAL 155.A O no hydrogen 2.770 N/A ASN 162.A ND2 THR 153.A O no hydrogen 2.872 N/A ASN 163.A ND2 ARG 131.A O no hydrogen 3.099 N/A GLN 164.A N ILE 161.A O no hydrogen 2.914 N/A HIS 167.A N GLY 258.A O no hydrogen 2.950 N/A SER 168.A N PRO 165.A O no hydrogen 3.073 N/A SER 168.A OG PRO 165.A O no hydrogen 2.648 N/A PHE 172.A N LEU 262.A O no hydrogen 2.622 N/A ALA 174.A N LEU 264.A O no hydrogen 3.027 N/A THR 175.A N ASP 178.A OD2 no hydrogen 3.163 N/A VAL 176.A N LYS 266.A O no hydrogen 3.151 N/A GLY 177.A N ALA 236.A O no hydrogen 2.988 N/A ASP 178.A N THR 175.A O no hydrogen 3.073 N/A ARG 179.A N ASP 149.A OD2 no hydrogen 2.992 N/A ARG 179.A NH1 GLN 233.A OE1 no hydrogen 3.149 N/A VAL 180.A N VAL 234.A O no hydrogen 2.956 N/A GLU 181.A N ALA 150.A O no hydrogen 2.821 N/A PHE 182.A N PHE 232.A O no hydrogen 2.925 N/A VAL 183.A N HIS 152.A O no hydrogen 2.873 N/A MET 184.A N PHE 230.A O no hydrogen 2.751 N/A ILE 185.A N ILE 154.A O no hydrogen 3.084 N/A THR 186.A N ASP 228.A O no hydrogen 3.181 N/A HIS 187.A N PHE 156.A O no hydrogen 2.801 N/A GLU 189.A N ASP 158.A OD1 no hydrogen 2.680 N/A HIS 192.A N VAL 224.A O no hydrogen 2.661 N/A PHE 194.A N LYS 222.A O no hydrogen 3.049 N/A HIS 195.A N HIS 248.A O no hydrogen 2.967 N/A HIS 195.A ND1 ASP 220.A O no hydrogen 2.861 N/A HIS 197.A N MET 246.A O no hydrogen 2.793 N/A TRP 201.A N ILE 219.A O no hydrogen 3.013 N/A ALA 202.A N GLY 207.A O no hydrogen 3.014 N/A ASP 203.A N GLN 217.A O no hydrogen 3.062 N/A ASN 204.A ND2 LEU 208.A O no hydrogen 3.167 N/A ARG 205.A NH1 ASP 145.A OD2 no hydrogen 3.164 N/A GLY 207.A N ASN 204.A O no hydrogen 3.178 N/A GLY 207.A N ASN 204.A OD1 no hydrogen 2.648 N/A LEU 208.A N THR 206.A OG1 no hydrogen 3.192 N/A THR 210.A N ASP 214.A OD2 no hydrogen 3.025 N/A THR 210.A OG1 ASP 214.A OD2 no hydrogen 3.347 N/A ASP 214.A N GLY 211.A O no hydrogen 2.897 N/A SER 216.A N ASP 214.A OD1 no hydrogen 3.136 N/A SER 216.A OG ASP 203.A O no hydrogen 3.392 N/A SER 216.A OG ASP 214.A OD1 no hydrogen 2.875 N/A ILE 219.A N TRP 201.A O no hydrogen 3.043 N/A LYS 222.A N PHE 194.A O no hydrogen 3.131 N/A VAL 224.A N HIS 192.A O no hydrogen 2.912 N/A GLY 225.A N ASP 228.A OD2 no hydrogen 2.658 N/A ALA 227.A N THR 186.A O no hydrogen 2.673 N/A ASP 228.A N GLY 225.A O no hydrogen 3.145 N/A SER 229.A OG TYR 113.A O no hydrogen 3.182 N/A PHE 230.A N MET 184.A O no hydrogen 3.030 N/A PHE 232.A N PHE 182.A O no hydrogen 3.176 N/A GLN 233.A NE2 VAL 146.A O no hydrogen 3.486 N/A GLN 233.A NE2 GLU 181.A OE2 no hydrogen 2.899 N/A VAL 234.A N VAL 180.A O no hydrogen 2.966 N/A ALA 236.A N ASP 178.A O no hydrogen 2.807 N/A GLY 237.A N HIS 199.A NE2 no hydrogen 3.126 N/A GLU 238.A N ILE 235.A O no hydrogen 3.111 N/A VAL 240.A N GLY 237.A O no hydrogen 3.025 N/A GLY 241.A N GLY 237.A O no hydrogen 2.694 N/A GLY 243.A N VAL 265.A O no hydrogen 2.951 N/A TRP 245.A N PHE 263.A O no hydrogen 2.791 N/A TRP 245.A NE1 GLY 241.A O no hydrogen 2.866 N/A TYR 247.A N GLY 261.A O no hydrogen 2.937 N/A TYR 247.A OH PRO 170.A O no hydrogen 2.501 N/A HIS 248.A N HIS 195.A O no hydrogen 2.950 N/A HIS 248.A ND1 CYS 249.A O no hydrogen 2.554 N/A CYS 249.A SG HIS 192.A ND1 no hydrogen 3.540 N/A CYS 249.A SG THR 193.A O no hydrogen 3.875 N/A CYS 249.A SG HIS 254.A ND1 no hydrogen 3.425 N/A HIS 250.A N THR 193.A O no hydrogen 2.818 N/A HIS 250.A N THR 193.A OG1 no hydrogen 3.293 N/A HIS 250.A ND1 HIS 250.A O no hydrogen 2.905 N/A HIS 254.A ND1 HIS 192.A ND1 no hydrogen 3.144 N/A SER 255.A N VAL 251.A O no hydrogen 3.028 N/A SER 255.A OG VAL 251.A O no hydrogen 3.487 N/A SER 255.A OG GLN 252.A O no hydrogen 3.067 N/A ASP 256.A N GLN 252.A O no hydrogen 3.211 N/A MET 257.A N SER 253.A O no hydrogen 2.613 N/A MET 257.A N HIS 254.A O no hydrogen 3.187 N/A GLY 258.A N SER 255.A O no hydrogen 3.215 N/A MET 259.A N HIS 254.A O no hydrogen 2.993 N/A GLY 261.A N TYR 247.A O no hydrogen 2.968 N/A PHE 263.A N TRP 245.A O no hydrogen 2.880 N/A LEU 264.A N PHE 172.A O no hydrogen 2.494 N/A VAL 265.A N GLY 243.A O no hydrogen 2.866 N/A LYS 266.A N ALA 174.A O no hydrogen 2.986 N/A LYS 266.A NZ GLU 173.A OE2 no hydrogen 2.860 N/A LYS 267.A N THR 271.A O no hydrogen 2.747 N/A GLY 270.A N LYS 267.A O no hydrogen 3.345 N/A THR 271.A N ASP 269.A OD1 no hydrogen 3.114 N/A THR 271.A OG1 ASP 269.A OD1 no hydrogen 2.666 N/A THR 271.A OG1 ASP 269.A OD2 no hydrogen 3.136 N/A