Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3css_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N VAL 250.A O no hydrogen 2.905 N/A LYS 6.A N LEU 252.A O no hydrogen 2.903 N/A CYS 8.A N LEU 254.A O no hydrogen 2.574 N/A CYS 8.A SG LYS 6.A O no hydrogen 3.779 N/A GLU 9.A N GLN 13.A OE1 no hydrogen 2.772 N/A GLN 13.A N ASN 10.A OD1 no hydrogen 3.006 N/A MET 14.A N ASN 10.A O no hydrogen 3.141 N/A SER 15.A N LEU 11.A O no hydrogen 2.872 N/A SER 15.A OG LEU 11.A O no hydrogen 2.724 N/A PHE 16.A N SER 12.A O no hydrogen 3.004 N/A ALA 17.A N GLN 13.A O no hydrogen 3.003 N/A ALA 18.A N MET 14.A O no hydrogen 3.094 N/A ARG 19.A N SER 15.A O no hydrogen 2.999 N/A ARG 19.A NE ASP 57.A OD2 no hydrogen 2.723 N/A ARG 19.A NH2 ASP 57.A OD1 no hydrogen 3.019 N/A GLU 20.A N PHE 16.A O no hydrogen 3.065 N/A VAL 21.A N ALA 17.A O no hydrogen 3.376 N/A ILE 22.A N ALA 18.A O no hydrogen 3.182 N/A LEU 23.A N ARG 19.A O no hydrogen 2.898 N/A ALA 24.A N GLU 20.A O no hydrogen 2.919 N/A ALA 25.A N VAL 21.A O no hydrogen 3.097 N/A ILE 26.A N ILE 22.A O no hydrogen 3.069 N/A ASP 27.A N LEU 23.A O no hydrogen 2.921 N/A ALA 28.A N ALA 24.A O no hydrogen 2.841 N/A ARG 29.A NE ILE 26.A O no hydrogen 2.987 N/A ARG 29.A NH1 VAL 34.A O no hydrogen 3.103 N/A SER 33.A N ASP 31.A OD2 no hydrogen 3.134 N/A SER 33.A OG ASP 31.A OD1 no hydrogen 3.418 N/A SER 33.A OG ASP 31.A OD2 no hydrogen 2.650 N/A VAL 34.A N ASP 31.A O no hydrogen 3.411 N/A VAL 36.A N ALA 65.A O no hydrogen 2.804 N/A VAL 37.A N ASP 154.A OD2 no hydrogen 2.828 N/A LEU 38.A N GLN 67.A O no hydrogen 2.852 N/A ALA 39.A N ILE 155.A O no hydrogen 2.860 N/A LEU 40.A N ILE 69.A O no hydrogen 2.786 N/A GLY 43.A N ASN 84.A OD1 no hydrogen 3.225 N/A LYS 47.A N SER 44.A O no hydrogen 3.405 N/A TYR 50.A N PRO 46.A O no hydrogen 3.016 N/A TYR 50.A OH SER 41.A O no hydrogen 2.709 N/A GLU 51.A N LYS 47.A O no hydrogen 3.013 N/A GLU 52.A N ARG 48.A O no hydrogen 2.941 N/A LEU 53.A N LEU 49.A O no hydrogen 2.864 N/A HIS 54.A N TYR 50.A O no hydrogen 2.908 N/A HIS 54.A ND1 GLU 55.A OE2 no hydrogen 2.896 N/A HIS 54.A NE2 ASP 95.A OD2 no hydrogen 2.569 N/A GLU 55.A N GLU 51.A O no hydrogen 3.022 N/A LYS 56.A N GLU 52.A O no hydrogen 2.955 N/A ASP 57.A N LEU 53.A O no hydrogen 2.895 N/A LEU 61.A N ASP 57.A O no hydrogen 3.363 N/A GLN 62.A N LEU 58.A O no hydrogen 2.860 N/A GLN 62.A NE2 ASP 95.A O no hydrogen 2.887 N/A GLN 63.A N ALA 59.A O no hydrogen 3.142 N/A GLN 63.A N LEU 60.A O no hydrogen 3.237 N/A HIS 64.A N LEU 61.A O no hydrogen 2.934 N/A HIS 64.A ND1 ASP 100.A OD2 no hydrogen 2.563 N/A ALA 65.A N LEU 60.A O no hydrogen 3.171 N/A GLN 67.A N VAL 36.A O no hydrogen 2.765 N/A GLN 67.A NE2 CYS 137.A O no hydrogen 3.173 N/A PHE 68.A N ASP 100.A O no hydrogen 2.783 N/A ILE 69.A N LEU 38.A O no hydrogen 2.999 N/A GLY 71.A N LEU 40.A O no hydrogen 2.912 N/A GLU 73.A N VAL 199.A O no hydrogen 2.926 N/A ARG 74.A N GLU 73.A OE1 no hydrogen 2.731 N/A ARG 74.A NH1 GLN 82.A O no hydrogen 2.786 N/A LEU 75.A N TRP 197.A O no hydrogen 2.948 N/A LEU 76.A N ARG 74.A O no hydrogen 2.708 N/A SER 77.A OG ASP 79.A OD1 no hydrogen 2.529 N/A ASP 80.A N SER 77.A O no hydrogen 3.019 N/A GLU 81.A N GLU 81.A OE1.B no hydrogen 2.666 N/A GLN 82.A N ASP 80.A OD1 no hydrogen 2.986 N/A SER 83.A N ASP 80.A O no hydrogen 2.997 N/A SER 83.A OG SER 77.A O no hydrogen 3.566 N/A SER 83.A OG GLU 78.A O no hydrogen 3.449 N/A SER 83.A OG ASP 80.A O no hydrogen 2.934 N/A ASN 84.A N GLU 73.A OE1 no hydrogen 2.760 N/A ASN 84.A ND2 ASP 72.A O no hydrogen 2.974 N/A PHE 85.A N GLU 73.A OE2 no hydrogen 3.000 N/A SER 86.A N SER 83.A OG no hydrogen 3.009 N/A MET 87.A N SER 83.A O no hydrogen 3.285 N/A ALA 88.A N ASN 84.A O no hydrogen 2.847 N/A THR 89.A N PHE 85.A O no hydrogen 2.843 N/A THR 89.A OG1 PHE 85.A O no hydrogen 2.818 N/A LYS 90.A N SER 86.A O no hydrogen 2.941 N/A ALA 91.A N MET 87.A O no hydrogen 3.083 N/A LEU 92.A N ALA 88.A O no hydrogen 2.822 N/A LEU 92.A N THR 89.A O no hydrogen 3.321 N/A LEU 93.A N ALA 88.A O no hydrogen 2.890 N/A ARG 94.A N THR 89.A O no hydrogen 3.003 N/A ARG 94.A NE LYS 90.A O no hydrogen 2.929 N/A ASP 95.A N LEU 92.A O no hydrogen 3.176 N/A VAL 96.A N LEU 93.A O no hydrogen 3.100 N/A ASP 100.A N PRO 97.A O no hydrogen 2.946 N/A VAL 101.A N SER 98.A O no hydrogen 3.066 N/A ILE 102.A N PHE 68.A O no hydrogen 2.952 N/A ARG 106.A NE ILE 104.A O no hydrogen 2.951 N/A ARG 106.A NH1 GLU 73.A OE2 no hydrogen 2.993 N/A ARG 106.A NH1 LEU 76.A O no hydrogen 3.088 N/A ARG 106.A NH2 GLU 73.A OE2 no hydrogen 2.811 N/A ARG 107.A N ASP 105.A OD1 no hydrogen 3.420 N/A ARG 107.A NE.B ASP 105.A OD1 no hydrogen 3.060 N/A ARG 107.A NH2.B ASP 105.A OD1 no hydrogen 3.551 N/A ARG 107.A NH2.B ASP 105.A OD2 no hydrogen 3.190 N/A ALA 109.A N ARG 106.A O no hydrogen 2.907 N/A LEU 110.A N ARG 107.A O no hydrogen 3.375 N/A THR 112.A N ALA 109.A O no hydrogen 3.046 N/A SER 113.A OG LEU 75.A O no hydrogen 2.622 N/A ASP 115.A N THR 112.A O no hydrogen 2.946 N/A GLY 118.A N ASP 115.A OD1 no hydrogen 3.107 N/A GLY 119.A N ASP 115.A O no hydrogen 2.938 N/A ALA 123.A N GLY 119.A O no hydrogen 3.019 N/A TRP 124.A N LEU 120.A O no hydrogen 3.031 N/A ALA 125.A N ASP 121.A O no hydrogen 3.037 N/A VAL 126.A N GLY 122.A O no hydrogen 3.128 N/A ALA 127.A N ALA 123.A O no hydrogen 2.879 N/A GLN 128.A N TRP 124.A O no hydrogen 2.862 N/A ASP 129.A N ALA 125.A O no hydrogen 3.237 N/A TYR 130.A N VAL 126.A O no hydrogen 3.011 N/A TYR 130.A OH LEU 70.A O no hydrogen 2.681 N/A GLU 131.A N ALA 127.A O no hydrogen 2.864 N/A VAL 132.A N GLN 128.A O no hydrogen 3.077 N/A LYS 133.A N ASP 129.A O no hydrogen 3.124 N/A LYS 133.A NZ SER 103.A O no hydrogen 2.726 N/A LEU 134.A N TYR 130.A O no hydrogen 2.870 N/A LEU 135.A N GLU 131.A O no hydrogen 2.910 N/A ASN 136.A N VAL 132.A O no hydrogen 3.029 N/A ASN 136.A N LYS 133.A O no hydrogen 3.243 N/A CYS 137.A N LYS 133.A O no hydrogen 2.976 N/A CYS 137.A N LEU 134.A O no hydrogen 3.310 N/A CYS 137.A SG LYS 133.A O no hydrogen 3.273 N/A LEU 138.A N LEU 134.A O no hydrogen 2.991 N/A CYS 140.A SG LEU 135.A O no hydrogen 3.722 N/A CYS 140.A SG LEU 138.A O no hydrogen 3.443 N/A LYS 141.A N VAL 150.A O no hydrogen 2.939 N/A GLN 142.A NE2 THR 146.A O no hydrogen 2.806 N/A ILE 143.A N LYS 148.A O no hydrogen 2.852 N/A THR 146.A N ILE 143.A O no hydrogen 3.139 N/A THR 146.A OG1 ILE 143.A O no hydrogen 2.796 N/A LYS 148.A N THR 146.A OG1 no hydrogen 2.891 N/A LYS 148.A NZ GLU 180.A O no hydrogen 3.314 N/A VAL 150.A N LYS 141.A O no hydrogen 2.869 N/A VAL 152.A N PRO 139.A O no hydrogen 2.788 N/A ILE 155.A N VAL 37.A O no hydrogen 3.059 N/A VAL 156.A N HIS 211.A O no hydrogen 2.858 N/A LEU 157.A N ALA 39.A O no hydrogen 2.925 N/A LEU 158.A N VAL 213.A O no hydrogen 2.813 N/A GLY 161.A N HIS 165.A O no hydrogen 2.963 N/A GLY 164.A N GLY 161.A O no hydrogen 2.903 N/A HIS 165.A N ASP 163.A OD1 no hydrogen 3.025 N/A HIS 165.A ND1 ASP 163.A OD1 no hydrogen 2.567 N/A THR 166.A OG1 GLY 159.A O no hydrogen 2.655 N/A SER 168.A N THR 200.A OG1 no hydrogen 3.121 N/A SER 168.A OG ASP 72.A OD2 no hydrogen 2.656 N/A ILE 169.A N THR 166.A O no hydrogen 2.781 N/A SER 173.A N PHE 170.A O no hydrogen 3.262 N/A SER 173.A OG PHE 170.A O no hydrogen 2.742 N/A ALA 175.A N VAL 185.A O no hydrogen 3.124 N/A ALA 176.A N SER 173.A O no hydrogen 3.153 N/A ALA 176.A N SER 173.A OG no hydrogen 3.268 N/A THR 177.A N VAL 174.A O no hydrogen 3.186 N/A ASP 178.A N ALA 175.A O no hydrogen 3.329 N/A GLU 180.A N ASP 178.A OD1 no hydrogen 2.867 N/A HIS 181.A N ASP 178.A OD1 no hydrogen 3.043 N/A HIS 181.A ND1 ASP 178.A OD1 no hydrogen 3.033 N/A HIS 181.A ND1 ASP 178.A OD2 no hydrogen 2.782 N/A VAL 182.A N GLU 131.A OE1 no hydrogen 2.915 N/A VAL 183.A N GLU 131.A OE1 no hydrogen 3.237 N/A SER 184.A N THR 200.A O no hydrogen 2.792 N/A SER 184.A OG ASP 178.A OD2 no hydrogen 2.685 N/A SER 186.A N ARG 198.A O no hydrogen 3.255 N/A SER 186.A OG SER 168.A O no hydrogen 2.581 N/A SER 189.A OG ASP 163.A OD2 no hydrogen 2.626 N/A MET 192.A N SER 189.A O no hydrogen 3.046 N/A LYS 195.A NZ PRO 190.A O no hydrogen 2.865 N/A LYS 195.A NZ MET 192.A O no hydrogen 2.742 N/A VAL 196.A N PRO 194.A O no hydrogen 2.975 N/A TRP 197.A N SER 113.A O no hydrogen 2.720 N/A TRP 197.A NE1 ASP 115.A O no hydrogen 2.956 N/A TRP 197.A NE1 GLU 116.A O no hydrogen 2.992 N/A ARG 198.A N SER 186.A O no hydrogen 2.773 N/A ARG 198.A NE VAL 196.A O no hydrogen 2.985 N/A ARG 198.A NH1 SER 168.A OG no hydrogen 3.179 N/A ARG 198.A NH2 PRO 194.A O no hydrogen 2.930 N/A VAL 199.A N GLU 73.A O no hydrogen 3.151 N/A THR 200.A N SER 184.A O no hydrogen 2.976 N/A THR 200.A OG1 LEU 201.A O no hydrogen 2.867 N/A LEU 201.A N GLY 71.A O no hydrogen 2.868 N/A SER 202.A N VAL 182.A O no hydrogen 3.038 N/A SER 202.A OG HIS 181.A O no hydrogen 2.821 N/A SER 202.A OG VAL 182.A O no hydrogen 3.374 N/A LYS 203.A NZ ALA 176.A O no hydrogen 3.016 N/A LYS 203.A NZ GLU 179.A OE2.A no hydrogen 2.938 N/A LYS 203.A NZ GLU 179.A OE2.B no hydrogen 2.769 N/A THR 204.A OG1 GLU 179.A OE1.B no hydrogen 3.476 N/A ILE 206.A N SER 202.A O no hydrogen 3.242 N/A GLN 207.A N LYS 203.A O no hydrogen 2.846 N/A GLN 207.A NE2 PHE 242.A O no hydrogen 2.961 N/A TYR 208.A N THR 204.A O no hydrogen 3.017 N/A TYR 208.A N VAL 205.A O no hydrogen 3.184 N/A ALA 209.A N ILE 206.A O no hydrogen 3.279 N/A LYS 210.A N VAL 153.A O no hydrogen 2.883 N/A HIS 211.A ND1 SER 249.A OG no hydrogen 2.881 N/A VAL 212.A N SER 249.A O no hydrogen 2.817 N/A VAL 213.A N VAL 156.A O no hydrogen 2.849 N/A VAL 214.A N THR 251.A O no hydrogen 2.832 N/A LEU 215.A N LEU 158.A O no hydrogen 2.865 N/A ALA 216.A N LEU 253.A O no hydrogen 2.962 N/A GLY 218.A N ASP 255.A OD2 no hydrogen 2.931 N/A LYS 219.A NZ.C GLY 257.A O no hydrogen 2.693 N/A LYS 219.A NZ.C GLU 260.A OE1 no hydrogen 2.497 N/A LYS 221.A N GLY 218.A O no hydrogen 2.948 N/A LYS 221.A NZ PHE 160.A O no hydrogen 2.735 N/A ASN 222.A N LYS 219.A O no hydrogen 3.020 N/A ASN 222.A ND2 ALA 258.A O no hydrogen 3.002 N/A ASN 222.A ND2 GLU 260.A O no hydrogen 2.933 N/A TRP 223.A NE1 SER 162.A O no hydrogen 2.848 N/A VAL 225.A N LYS 221.A O no hydrogen 3.003 N/A ARG 226.A N.A ASN 222.A O no hydrogen 2.940 N/A ARG 226.A N.B ASN 222.A O no hydrogen 2.906 N/A ARG 226.A NE.A ASN 222.A OD1 no hydrogen 2.832 N/A ARG 226.A NE.B ASN 222.A OD1 no hydrogen 2.908 N/A ARG 226.A NH2.A ASN 222.A OD1 no hydrogen 3.355 N/A GLY 227.A N TRP 223.A O no hydrogen 2.940 N/A VAL 228.A N VAL 224.A O no hydrogen 2.910 N/A LEU 229.A N VAL 225.A O no hydrogen 2.983 N/A SER 230.A N ARG 226.A O.A no hydrogen 3.012 N/A SER 230.A N ARG 226.A O.B no hydrogen 2.948 N/A SER 230.A OG SER 232.A O no hydrogen 2.741 N/A SER 230.A OG THR 234.A OG1 no hydrogen 2.795 N/A THR 234.A OG1 SER 230.A OG no hydrogen 2.795 N/A SER 240.A N GLY 164.A O no hydrogen 3.126 N/A SER 240.A OG.A GLY 164.A O no hydrogen 2.933 N/A SER 240.A OG.B GLY 164.A O no hydrogen 2.759 N/A ARG 241.A N PRO 238.A O no hydrogen 3.014 N/A ARG 241.A NH1 GLY 227.A O no hydrogen 2.903 N/A ARG 241.A NH1 SER 230.A O no hydrogen 2.724 N/A ARG 241.A NH2 SER 230.A O no hydrogen 2.984 N/A ARG 241.A NH2 GLU 231.A O no hydrogen 3.204 N/A PHE 242.A N VAL 239.A O no hydrogen 3.335 N/A LEU 243.A N SER 240.A O no hydrogen 2.975 N/A ARG 244.A N ARG 241.A O no hydrogen 3.032 N/A ARG 244.A NH1 VAL 228.A O no hydrogen 2.880 N/A ASP 245.A N PHE 242.A O no hydrogen 3.017 N/A CYS 246.A N LEU 243.A O no hydrogen 3.059 N/A CYS 246.A SG ILE 206.A O no hydrogen 3.883 N/A CYS 246.A SG LEU 243.A O no hydrogen 3.285 N/A ARG 247.A N GLN 207.A O no hydrogen 2.845 N/A ARG 247.A NH1 GLN 207.A O no hydrogen 3.137 N/A SER 249.A N LYS 210.A O no hydrogen 2.946 N/A SER 249.A OG HIS 211.A ND1 no hydrogen 2.881 N/A THR 251.A N VAL 212.A O no hydrogen 2.879 N/A LEU 252.A N THR 4.A O no hydrogen 2.814 N/A LEU 253.A N VAL 214.A O no hydrogen 2.740 N/A LEU 254.A N LYS 6.A O no hydrogen 2.927 N/A ASP 255.A N ALA 216.A O no hydrogen 3.249 N/A ALA 258.A N ASP 255.A OD2 no hydrogen 2.988 N/A GLY 259.A N ASP 255.A O no hydrogen 2.930 N/A GLU 260.A N GLY 257.A O no hydrogen 3.454 N/A VAL 262.A N GLY 259.A O no hydrogen 3.112 N/A