Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4o54_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ASP 228.A OD1 no hydrogen 3.049 N/A ARG 2.A NE ASP 228.A OD2 no hydrogen 3.003 N/A ARG 2.A NH1 ASN 203.A O no hydrogen 2.895 N/A ARG 2.A NH2 ASP 228.A OD1 no hydrogen 2.983 N/A PHE 5.A N ASP 228.A O no hydrogen 2.916 N/A VAL 6.A N GLU 37.A O no hydrogen 2.908 N/A GLY 7.A N PHE 230.A O no hydrogen 2.777 N/A GLY 8.A N VAL 39.A O no hydrogen 2.851 N/A ASN 9.A N VAL 232.A O no hydrogen 2.865 N/A TRP 10.A N ALA 41.A O no hydrogen 2.926 N/A LYS 11.A N ASN 9.A OD1 no hydrogen 2.896 N/A LYS 11.A NZ GLU 96.A OE2 no hydrogen 2.639 N/A ASN 13.A ND2 TRP 10.A O no hydrogen 2.855 N/A THR 16.A OG1 GLU 19.A OE1 no hydrogen 2.663 N/A GLU 19.A N THR 16.A OG1 no hydrogen 3.267 N/A ALA 20.A N THR 16.A O no hydrogen 3.155 N/A GLU 21.A N VAL 17.A O no hydrogen 2.882 N/A LYS 22.A N GLU 18.A O no hydrogen 3.050 N/A LEU 23.A N GLU 19.A O no hydrogen 2.893 N/A ILE 24.A N ALA 20.A O no hydrogen 2.957 N/A GLU 25.A N GLU 21.A O no hydrogen 2.973 N/A MET 26.A N.A LYS 22.A O no hydrogen 3.062 N/A MET 26.A N.B LYS 22.A O no hydrogen 3.064 N/A MET 26.A N.B LEU 23.A O no hydrogen 3.039 N/A LEU 27.A N LEU 23.A O no hydrogen 2.912 N/A ASN 28.A N ILE 24.A O no hydrogen 2.873 N/A ASN 28.A ND2 LYS 53.A O no hydrogen 2.942 N/A GLY 29.A N MET 26.A O.A no hydrogen 3.229 N/A GLY 29.A N MET 26.A O.B no hydrogen 3.231 N/A ALA 30.A N LEU 27.A O no hydrogen 3.187 N/A GLU 33.A N ASN 246.A OD1 no hydrogen 2.759 N/A ASN 35.A N ASN 248.A OD1 no hydrogen 2.976 N/A GLU 37.A N PHE 4.A O no hydrogen 2.803 N/A VAL 39.A N VAL 6.A O no hydrogen 3.066 N/A VAL 40.A N LYS 59.A O no hydrogen 2.821 N/A ALA 41.A N GLY 8.A O no hydrogen 2.722 N/A ALA 42.A N SER 61.A O no hydrogen 3.361 N/A PHE 46.A N PRO 43.A O no hydrogen 2.884 N/A LEU 47.A N PHE 44.A O no hydrogen 3.115 N/A THR 49.A OG1 GLU 21.A OE2 no hydrogen 3.086 N/A LEU 50.A N PHE 46.A O no hydrogen 2.947 N/A GLN 51.A N LEU 47.A O no hydrogen 2.899 N/A GLN 52.A N PRO 48.A O no hydrogen 3.019 N/A LYS 53.A N THR 49.A O no hydrogen 2.893 N/A LYS 53.A NZ THR 49.A OG1 no hydrogen 3.219 N/A LEU 54.A N LEU 50.A O no hydrogen 2.747 N/A ARG 55.A N ASN 28.A OD1 no hydrogen 2.900 N/A ARG 55.A NE ASP 57.A OD1 no hydrogen 3.005 N/A ARG 55.A NH1 LEU 27.A O no hydrogen 2.956 N/A ARG 55.A NH1 ALA 30.A O no hydrogen 2.812 N/A ARG 55.A NH2 ASP 57.A OD2 no hydrogen 3.010 N/A LYS 56.A NZ GLN 51.A O no hydrogen 3.124 N/A TRP 58.A N ARG 55.A O no hydrogen 3.142 N/A LYS 59.A N VAL 38.A O no hydrogen 3.088 N/A LYS 59.A NZ GLU 88.A OE2 no hydrogen 2.956 N/A SER 61.A N VAL 40.A O no hydrogen 2.796 N/A SER 61.A OG ALA 62.A O no hydrogen 2.797 N/A ALA 62.A N TRP 89.A O no hydrogen 2.909 N/A PHE 66.A N VAL 77.A O no hydrogen 2.940 N/A GLU 76.A N PHE 73.A O no hydrogen 2.926 N/A THR 78.A OG1 PRO 69.A O no hydrogen 2.655 N/A ILE 82.A N THR 78.A O no hydrogen 3.301 N/A LYS 83.A N VAL 79.A O no hydrogen 2.771 N/A SER 84.A N PRO 80.A O no hydrogen 2.766 N/A SER 84.A OG MET 81.A O no hydrogen 2.771 N/A PHE 85.A N ILE 82.A O no hydrogen 3.110 N/A GLY 86.A N LYS 83.A O no hydrogen 2.964 N/A ILE 87.A N ILE 82.A O no hydrogen 3.124 N/A THR 90.A N LYS 121.A O no hydrogen 3.020 N/A THR 90.A OG1 ALA 62.A O no hydrogen 3.547 N/A THR 90.A OG1 ILE 91.A O no hydrogen 2.977 N/A ILE 91.A N ALA 62.A O no hydrogen 2.934 N/A LEU 92.A N ILE 123.A O no hydrogen 2.884 N/A SER 95.A N GLU 166.A OE2 no hydrogen 2.755 N/A SER 95.A OG GLU 166.A OE1 no hydrogen 2.750 N/A GLU 96.A N HIS 94.A ND1 no hydrogen 3.079 N/A ARG 97.A N HIS 94.A O no hydrogen 2.844 N/A ARG 97.A NE GLU 103.A OE2 no hydrogen 2.791 N/A ARG 97.A NH2 GLU 103.A OE2 no hydrogen 3.430 N/A ARG 98.A N HIS 94.A O no hydrogen 3.080 N/A ARG 98.A NE GLY 93.A O no hydrogen 2.811 N/A ARG 98.A NH1 ASP 105.A OD1 no hydrogen 2.980 N/A ARG 98.A NH2 CYS 125.A O no hydrogen 2.902 N/A ASP 99.A N SER 95.A O no hydrogen 2.917 N/A ILE 100.A N GLU 96.A O no hydrogen 2.785 N/A LYS 102.A N ASP 99.A O no hydrogen 3.284 N/A GLU 103.A N ARG 97.A O no hydrogen 2.933 N/A PHE 107.A N ASP 104.A OD1 no hydrogen 2.758 N/A LEU 108.A N ASP 104.A O no hydrogen 3.008 N/A ALA 109.A N ASP 105.A O no hydrogen 2.817 N/A ALA 110.A N GLU 106.A O no hydrogen 3.107 N/A LYS 111.A N PHE 107.A O no hydrogen 3.079 N/A LYS 111.A NZ ASN 64.A OD1 no hydrogen 2.937 N/A LYS 111.A NZ VAL 65.A O no hydrogen 3.211 N/A LYS 111.A NZ GLU 103.A OE2 no hydrogen 2.893 N/A ALA 112.A N LEU 108.A O no hydrogen 2.949 N/A LYS 113.A N ALA 109.A O no hydrogen 2.923 N/A LYS 113.A NZ GLU 117.A OE1 no hydrogen 3.012 N/A LYS 113.A NZ GLU 117.A OE2 no hydrogen 2.924 N/A PHE 114.A N ALA 110.A O no hydrogen 2.889 N/A ALA 115.A N LYS 111.A O no hydrogen 2.776 N/A LEU 116.A N ALA 112.A O no hydrogen 2.937 N/A GLU 117.A N LYS 113.A O no hydrogen 2.897 N/A ASN 118.A N PHE 114.A O no hydrogen 3.011 N/A ASN 118.A N ALA 115.A O no hydrogen 3.067 N/A ASN 118.A ND2 PHE 114.A O no hydrogen 2.855 N/A GLY 119.A N LEU 116.A O no hydrogen 2.939 N/A MET 120.A N ALA 115.A O no hydrogen 2.930 N/A LYS 121.A N GLU 88.A O no hydrogen 2.802 N/A ILE 122.A N ASP 160.A O no hydrogen 2.938 N/A ILE 123.A N THR 90.A O no hydrogen 2.937 N/A TYR 124.A N VAL 162.A O no hydrogen 2.807 N/A CYS 125.A N LEU 92.A O no hydrogen 3.005 N/A CYS 125.A SG LEU 92.A O no hydrogen 3.797 N/A CYS 126.A N ALA 164.A O no hydrogen 2.936 N/A CYS 126.A SG ALA 164.A O no hydrogen 3.840 N/A GLY 127.A N GLN 145.A OE1 no hydrogen 2.857 N/A GLU 128.A N GLU 128.A OE1 no hydrogen 2.716 N/A SER 131.A OG GLU 132.A OE1 no hydrogen 3.392 N/A SER 131.A OG GLU 132.A OE2 no hydrogen 2.776 N/A ARG 133.A N HIS 129.A O no hydrogen 3.093 N/A ARG 133.A NE GLU 128.A OE2 no hydrogen 2.988 N/A ARG 133.A NH2 GLU 128.A OE2 no hydrogen 2.937 N/A GLU 134.A N.A LEU 130.A O no hydrogen 2.908 N/A GLU 134.A N.B LEU 130.A O no hydrogen 2.907 N/A ALA 135.A N SER 131.A O no hydrogen 2.909 N/A GLY 136.A N ARG 133.A O no hydrogen 2.933 N/A LYS 137.A N GLU 132.A O no hydrogen 2.769 N/A SER 139.A OG.A GLU 140.A OE1 no hydrogen 3.210 N/A GLU 140.A N GLU 140.A OE1 no hydrogen 2.750 N/A PHE 141.A N LYS 137.A O no hydrogen 3.099 N/A VAL 142.A N ALA 138.A O no hydrogen 2.977 N/A SER 143.A N SER 139.A O.A no hydrogen 2.867 N/A SER 143.A N SER 139.A O.B no hydrogen 2.813 N/A SER 143.A OG GLU 147.A OE1 no hydrogen 2.812 N/A ALA 144.A N GLU 140.A O no hydrogen 3.141 N/A GLN 145.A N PHE 141.A O no hydrogen 3.314 N/A ILE 146.A N VAL 142.A O no hydrogen 3.014 N/A GLU 147.A N SER 143.A O no hydrogen 2.693 N/A LYS 148.A N ALA 144.A O no hydrogen 2.941 N/A MET 149.A N GLN 145.A O no hydrogen 3.086 N/A ILE 150.A N ILE 146.A O no hydrogen 2.844 N/A ALA 152.A N MET 149.A O no hydrogen 2.799 N/A ILE 153.A N ILE 150.A O no hydrogen 3.126 N/A LYS 157.A N PRO 154.A O no hydrogen 3.204 N/A LYS 157.A NZ LEU 116.A O no hydrogen 2.986 N/A ASP 160.A N LYS 157.A O no hydrogen 2.809 N/A VAL 161.A N TRP 158.A O no hydrogen 3.221 N/A VAL 162.A N ILE 122.A O no hydrogen 2.941 N/A ILE 163.A N ARG 206.A O no hydrogen 3.050 N/A ALA 164.A N TYR 124.A O no hydrogen 2.787 N/A TYR 165.A N LEU 208.A O no hydrogen 2.910 N/A TYR 165.A OH GLU 128.A OE1 no hydrogen 2.562 N/A TYR 165.A OH GLU 128.A OE2 no hydrogen 3.227 N/A GLU 166.A N CYS 126.A O no hydrogen 2.767 N/A TRP 169.A N GLU 128.A O no hydrogen 3.128 N/A TRP 169.A NE1 TYR 165.A OH no hydrogen 3.087 N/A ALA 170.A N PRO 167.A O no hydrogen 2.828 N/A ILE 171.A N ILE 168.A O no hydrogen 2.895 N/A THR 173.A OG1 TRP 169.A O no hydrogen 2.517 N/A LYS 175.A N THR 173.A OG1 no hydrogen 3.183 N/A SER 178.A N ASP 181.A OD2 no hydrogen 2.844 N/A ASP 181.A N SER 178.A OG no hydrogen 2.961 N/A ALA 182.A N SER 178.A O no hydrogen 3.318 N/A GLN 183.A N THR 179.A O no hydrogen 3.088 N/A GLN 183.A NE2 ASP 226.A OD2 no hydrogen 2.870 N/A GLU 184.A N GLN 180.A O no hydrogen 2.810 N/A MET 185.A N ASP 181.A O no hydrogen 3.079 N/A CYS 186.A N ALA 182.A O no hydrogen 3.000 N/A CYS 186.A SG ALA 182.A O no hydrogen 3.425 N/A CYS 186.A SG LEU 208.A O no hydrogen 4.029 N/A LYS 187.A N GLN 183.A O no hydrogen 2.918 N/A LYS 187.A NZ ASP 191.A OD1 no hydrogen 3.076 N/A VAL 188.A N GLU 184.A O no hydrogen 2.844 N/A ILE 189.A N MET 185.A O no hydrogen 3.047 N/A ARG 190.A N CYS 186.A O no hydrogen 2.993 N/A ARG 190.A NE ASP 226.A OD1 no hydrogen 2.894 N/A ARG 190.A NH1 ALA 202.A O no hydrogen 2.837 N/A ARG 190.A NH1 VAL 205.A O no hydrogen 2.871 N/A ARG 190.A NH2 ASP 226.A O no hydrogen 2.984 N/A ARG 190.A NH2 ASP 228.A OD2 no hydrogen 2.571 N/A ASP 191.A N LYS 187.A O no hydrogen 2.926 N/A ILE 192.A N VAL 188.A O no hydrogen 2.971 N/A LEU 193.A N ILE 189.A O no hydrogen 2.969 N/A ALA 194.A N ARG 190.A O no hydrogen 2.931 N/A ALA 195.A N ASP 191.A O no hydrogen 2.976 N/A LYS 196.A N ILE 192.A O no hydrogen 2.953 N/A VAL 197.A N LEU 193.A O no hydrogen 2.662 N/A GLY 198.A N LEU 193.A O no hydrogen 3.177 N/A GLY 198.A N ALA 194.A O no hydrogen 3.068 N/A ALA 202.A N GLY 198.A O no hydrogen 3.118 N/A ASN 203.A N ALA 199.A O no hydrogen 2.793 N/A LYS 204.A N ILE 201.A O no hydrogen 3.000 N/A VAL 205.A N ILE 201.A O no hydrogen 3.008 N/A ARG 206.A NH1 THR 3.A O no hydrogen 2.876 N/A ARG 206.A NH1 GLU 37.A OE1 no hydrogen 2.896 N/A ARG 206.A NH2 GLU 37.A OE1 no hydrogen 2.818 N/A ILE 207.A N ASP 228.A OD2 no hydrogen 2.861 N/A LEU 208.A N ILE 163.A O no hydrogen 2.649 N/A TYR 209.A N GLY 229.A O no hydrogen 2.887 N/A GLY 210.A N TYR 165.A O no hydrogen 2.727 N/A LYS 214.A N ASN 217.A OD1 no hydrogen 2.885 N/A ASN 217.A N LYS 214.A O no hydrogen 3.173 N/A ASN 217.A ND2 SER 212.A O no hydrogen 3.052 N/A CYS 218.A N LYS 214.A O no hydrogen 3.021 N/A CYS 218.A SG LYS 214.A O no hydrogen 3.549 N/A CYS 218.A SG PRO 215.A O no hydrogen 3.609 N/A CYS 218.A SG ASN 219.A OD1 no hydrogen 3.706 N/A CYS 218.A SG ASN 243.A O no hydrogen 3.811 N/A LEU 221.A N ASN 217.A O no hydrogen 3.107 N/A ALA 222.A N CYS 218.A O no hydrogen 2.921 N/A ALA 223.A N ASN 219.A O no hydrogen 3.174 N/A CYS 224.A N LEU 221.A O no hydrogen 3.087 N/A CYS 224.A SG THR 179.A O no hydrogen 3.898 N/A CYS 224.A SG GLU 220.A O no hydrogen 3.684 N/A ASP 226.A N GLN 183.A OE1 no hydrogen 2.879 N/A VAL 227.A N CYS 224.A O no hydrogen 3.377 N/A ASP 228.A N ILE 207.A O no hydrogen 2.908 N/A PHE 230.A N PHE 5.A O no hydrogen 2.997 N/A LEU 231.A N TYR 209.A O no hydrogen 3.054 N/A VAL 232.A N GLY 7.A O no hydrogen 2.795 N/A SER 236.A N.A GLY 233.A O no hydrogen 2.848 N/A SER 236.A N.B GLY 233.A O no hydrogen 2.831 N/A SER 236.A OG.A ASN 9.A O no hydrogen 3.058 N/A SER 236.A OG.A GLY 233.A O no hydrogen 2.727 N/A SER 236.A OG.B VAL 232.A O no hydrogen 2.722 N/A SER 236.A OG.B GLY 233.A O no hydrogen 2.798 N/A LEU 237.A N GLY 234.A O no hydrogen 3.131 N/A GLU 238.A N ALA 235.A O no hydrogen 3.179 N/A PHE 241.A N GLU 238.A O no hydrogen 2.956 N/A ILE 242.A N PRO 239.A O no hydrogen 3.139 N/A ILE 244.A N GLY 240.A O no hydrogen 3.232 N/A VAL 245.A N PHE 241.A O no hydrogen 2.948 N/A ASN 246.A N ILE 242.A O no hydrogen 2.910 N/A ASN 246.A ND2 LYS 31.A O no hydrogen 3.095 N/A SER 247.A N ILE 244.A O no hydrogen 3.052 N/A SER 247.A OG ILE 244.A O no hydrogen 2.658 N/A ASN 248.A N VAL 245.A O no hydrogen 3.463 N/A ASN 248.A ND2 GLU 33.A O no hydrogen 2.797 N/A ASN 248.A ND2 VAL 245.A O no hydrogen 2.949 N/A VAL 249.A N ASN 246.A O no hydrogen 3.391 N/A HIS 250.A N SER 247.A O no hydrogen 2.947 N/A SER 251.A N ASN 248.A O no hydrogen 3.067 N/A SER 251.A OG ALA 222.A O no hydrogen 3.086 N/A