Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5i2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 THR 69.A OG1 no hydrogen 2.933 N/A LEU 3.A N THR 69.A O no hydrogen 2.926 N/A SER 4.A OG ARG 99.A O no hydrogen 2.652 N/A ILE 5.A N ASP 71.A O no hydrogen 3.049 N/A VAL 6.A N MET 102.A O no hydrogen 3.012 N/A THR 7.A N TYR 73.A O no hydrogen 2.905 N/A THR 7.A OG1 VAL 104.A O no hydrogen 2.893 N/A GLU 10.A N VAL 14.A O no hydrogen 2.843 N/A PHE 13.A N GLU 10.A O no hydrogen 2.876 N/A VAL 14.A N GLU 10.A O no hydrogen 3.081 N/A ILE 15.A N LYS 52.A O no hydrogen 2.656 N/A VAL 16.A N GLU 9.A OE2 no hydrogen 3.024 N/A GLU 17.A N CYS 50.A O no hydrogen 2.788 N/A CYS 24.A SG LYS 49.A O no hydrogen 3.424 N/A ASN 27.A ND2 ASP 57.A OD1 no hydrogen 3.340 N/A VAL 29.A N CYS 51.A O no hydrogen 2.828 N/A CYS 31.A N LYS 49.A O no hydrogen 3.090 N/A ARG 32.A N LEU 72.A O no hydrogen 3.037 N/A ARG 32.A NE ASP 71.A OD1 no hydrogen 3.300 N/A ARG 32.A NE ASP 71.A OD2 no hydrogen 2.864 N/A ARG 32.A NH2 ASP 71.A OD2 no hydrogen 2.799 N/A LYS 33.A N VAL 47.A O no hydrogen 2.987 N/A VAL 35.A N MET 45.A O no hydrogen 2.809 N/A LYS 36.A NZ THR 41.A O no hydrogen 2.779 N/A ILE 37.A N GLU 43.A O no hydrogen 2.964 N/A SER 40.A N ASN 38.A OD1 no hydrogen 2.766 N/A SER 40.A OG ASN 38.A OD1 no hydrogen 2.746 N/A GLU 43.A N THR 41.A OG1 no hydrogen 3.325 N/A MET 45.A N VAL 35.A O no hydrogen 2.793 N/A VAL 47.A N LYS 33.A O no hydrogen 2.814 N/A LYS 49.A N CYS 31.A O no hydrogen 2.947 N/A LYS 49.A NZ ASP 18.A OD1 no hydrogen 2.775 N/A CYS 50.A N GLU 17.A O no hydrogen 2.709 N/A CYS 51.A N VAL 29.A O no hydrogen 2.750 N/A LYS 52.A N ILE 15.A O no hydrogen 2.984 N/A LYS 52.A NZ GLU 17.A OE2 no hydrogen 2.773 N/A PHE 54.A N PRO 12.A O no hydrogen 3.119 N/A CYS 55.A N PHE 13.A O no hydrogen 3.043 N/A ASP 57.A N GLY 53.A O no hydrogen 2.810 N/A ILE 58.A N PHE 54.A O no hydrogen 3.007 N/A LEU 59.A N CYS 55.A O no hydrogen 2.865 N/A LYS 60.A N ILE 56.A O no hydrogen 2.754 N/A LYS 60.A NZ ASN 27.A O no hydrogen 3.390 N/A LYS 60.A NZ ASP 57.A OD1 no hydrogen 3.215 N/A LYS 61.A N ASP 57.A O no hydrogen 3.059 N/A LYS 61.A NZ GLU 263.A OE1 no hydrogen 2.791 N/A LEU 62.A N ILE 58.A O no hydrogen 2.798 N/A SER 63.A N LEU 59.A O no hydrogen 3.092 N/A SER 63.A OG LYS 60.A O no hydrogen 2.853 N/A ARG 64.A N LYS 60.A O no hydrogen 3.472 N/A THR 65.A N LYS 61.A O no hydrogen 2.954 N/A THR 65.A OG1 LYS 61.A O no hydrogen 3.115 N/A VAL 66.A N LEU 62.A O no hydrogen 2.728 N/A LYS 67.A N SER 63.A O no hydrogen 2.891 N/A LYS 67.A NZ THR 65.A O no hydrogen 3.297 N/A PHE 68.A N SER 63.A O no hydrogen 3.169 N/A THR 69.A N ASN 1.A O no hydrogen 2.784 N/A THR 69.A OG1 ASN 1.A O no hydrogen 3.207 N/A THR 69.A OG1 HIS 2.A ND1 no hydrogen 2.933 N/A ASP 71.A N LEU 3.A O no hydrogen 2.773 N/A TYR 73.A N ILE 5.A O no hydrogen 2.900 N/A TYR 73.A OH GLU 94.A OE1 no hydrogen 2.782 N/A LEU 74.A N ARG 32.A O no hydrogen 2.898 N/A VAL 75.A N THR 7.A O no hydrogen 2.946 N/A LYS 79.A NZ LYS 187.A O no hydrogen 3.190 N/A HIS 80.A NE2 GLU 10.A OE1 no hydrogen 2.938 N/A LYS 82.A NZ ASN 163.A OD1 no hydrogen 2.965 N/A VAL 84.A N VAL 87.A O no hydrogen 2.893 N/A VAL 87.A N VAL 84.A O no hydrogen 3.121 N/A TRP 88.A N TYR 97.A OH no hydrogen 3.102 N/A ASN 89.A N LYS 82.A O no hydrogen 3.066 N/A GLY 90.A N ASN 77.A O no hydrogen 2.771 N/A MET 91.A N LYS 79.A O no hydrogen 2.993 N/A ILE 92.A N HIS 80.A O no hydrogen 3.181 N/A GLY 93.A N ASN 89.A O no hydrogen 3.290 N/A GLU 94.A N GLY 90.A O no hydrogen 2.945 N/A VAL 95.A N MET 91.A O no hydrogen 3.161 N/A VAL 95.A N ILE 92.A O no hydrogen 2.969 N/A VAL 96.A N ILE 92.A O no hydrogen 2.938 N/A TYR 97.A N GLY 93.A O no hydrogen 3.042 N/A GLN 98.A N VAL 95.A O no hydrogen 3.197 N/A ARG 99.A N GLU 94.A O no hydrogen 2.747 N/A ARG 99.A NE GLU 94.A OE2 no hydrogen 3.022 N/A ALA 100.A N GLU 94.A O no hydrogen 2.813 N/A VAL 101.A N SER 4.A O no hydrogen 2.776 N/A ALA 103.A N ALA 240.A O no hydrogen 2.871 N/A VAL 104.A N VAL 6.A O no hydrogen 3.110 N/A SER 106.A OG GLU 10.A OE1 no hydrogen 2.613 N/A ILE 109.A N GLY 236.A O no hydrogen 3.010 N/A ARG 113.A N ASN 110.A OD1 no hydrogen 2.983 N/A ARG 113.A NH1 THR 108.A O no hydrogen 2.748 N/A ARG 113.A NH2 GLY 81.A O no hydrogen 3.109 N/A SER 114.A N ASN 110.A O no hydrogen 2.991 N/A SER 114.A OG ASN 110.A O no hydrogen 3.133 N/A VAL 116.A N ARG 113.A O no hydrogen 3.097 N/A VAL 117.A N ARG 113.A O no hydrogen 2.883 N/A ASP 118.A N LEU 241.A O no hydrogen 2.815 N/A SER 120.A N ILE 239.A O no hydrogen 2.752 N/A SER 120.A OG VAL 121.A O no hydrogen 3.004 N/A VAL 121.A N ASP 252.A OD1 no hydrogen 2.913 N/A PHE 123.A N TYR 237.A O no hydrogen 2.782 N/A THR 126.A N THR 235.A O no hydrogen 3.027 N/A THR 126.A OG1 ASP 207.A OD1 no hydrogen 2.715 N/A ILE 128.A N PHE 232.A O no hydrogen 2.864 N/A SER 129.A N TYR 206.A O no hydrogen 2.871 N/A SER 129.A OG TYR 230.A O no hydrogen 3.143 N/A MET 131.A N PHE 204.A O no hydrogen 3.166 N/A VAL 132.A N VAL 224.A O no hydrogen 2.820 N/A ARG 134.A N LYS 222.A O no hydrogen 2.780 N/A THR 136.A N SER 133.A O no hydrogen 3.001 N/A THR 136.A OG1 SER 133.A O no hydrogen 3.197 N/A THR 139.A N ASP 143.A OD2 no hydrogen 2.879 N/A ASP 143.A N GLY 140.A O no hydrogen 3.098 N/A LYS 145.A N ASP 143.A OD1 no hydrogen 3.188 N/A LYS 145.A NZ ASP 143.A OD1 no hydrogen 3.025 N/A PHE 146.A N ASP 143.A O no hydrogen 2.776 N/A GLN 147.A N ASP 143.A O no hydrogen 2.784 N/A GLN 147.A NE2 LEU 141.A O no hydrogen 2.944 N/A ARG 148.A N LYS 144.A O no hydrogen 2.938 N/A ARG 148.A NE ASP 151.A OD1 no hydrogen 3.301 N/A ARG 148.A NE ASP 151.A OD2 no hydrogen 2.719 N/A ARG 148.A NH2 ASP 151.A OD1 no hydrogen 3.087 N/A HIS 150.A ND1 TYR 176.A OH no hydrogen 3.086 N/A ASP 151.A N ARG 148.A O no hydrogen 3.316 N/A ARG 157.A N ASP 202.A OD2 no hydrogen 3.108 N/A ARG 157.A NE ASP 202.A OD2 no hydrogen 2.925 N/A ARG 157.A NH1 GLY 199.A O no hydrogen 3.179 N/A ARG 157.A NH2 GLY 199.A O no hydrogen 2.813 N/A ARG 157.A NH2 ASP 202.A OD1 no hydrogen 2.710 N/A ARG 157.A NH2 ASP 202.A OD2 no hydrogen 3.445 N/A GLY 159.A N ALA 203.A O no hydrogen 3.317 N/A THR 160.A OG1 ILE 205.A O no hydrogen 2.740 N/A ASN 163.A N GLU 167.A OE1 no hydrogen 3.010 N/A ARG 168.A N GLY 164.A O no hydrogen 3.095 N/A ARG 168.A NE GLU 112.A OE1 no hydrogen 3.147 N/A ARG 168.A NE GLU 112.A OE2 no hydrogen 3.470 N/A ASN 169.A N SER 165.A O no hydrogen 2.825 N/A ILE 170.A N THR 166.A O no hydrogen 2.983 N/A ARG 171.A N GLU 167.A O no hydrogen 2.881 N/A ASN 172.A N ARG 168.A O no hydrogen 2.847 N/A ASN 173.A N ASN 169.A O no hydrogen 3.065 N/A TYR 174.A N ILE 170.A O no hydrogen 2.848 N/A TYR 176.A OH HIS 150.A ND1 no hydrogen 3.086 N/A HIS 178.A N TYR 174.A O no hydrogen 3.025 N/A GLN 179.A N PRO 175.A O no hydrogen 3.177 N/A GLN 179.A NE2 TYR 176.A O no hydrogen 3.233 N/A TYR 180.A N TYR 176.A O no hydrogen 3.198 N/A TYR 180.A OH PHE 156.A O no hydrogen 2.684 N/A MET 181.A N MET 177.A O no hydrogen 2.817 N/A THR 182.A N HIS 178.A O no hydrogen 3.243 N/A THR 182.A OG1 GLN 179.A O no hydrogen 3.014 N/A PHE 184.A N MET 181.A O no hydrogen 2.758 N/A ASN 185.A N THR 182.A O no hydrogen 3.140 N/A GLN 186.A N THR 160.A O no hydrogen 2.800 N/A GLN 186.A NE2 PHE 184.A O no hydrogen 2.775 N/A ALA 192.A N GLY 188.A O no hydrogen 3.445 N/A LEU 193.A N VAL 189.A O no hydrogen 2.894 N/A VAL 194.A N GLU 190.A O no hydrogen 3.190 N/A SER 195.A N ASP 191.A O no hydrogen 2.722 N/A SER 195.A OG GLN 186.A OE1 no hydrogen 2.908 N/A SER 195.A OG ASP 191.A O no hydrogen 2.722 N/A LEU 196.A N ALA 192.A O no hydrogen 2.861 N/A LYS 197.A N LEU 193.A O no hydrogen 2.918 N/A LYS 197.A NZ ASP 218.A OD1 no hydrogen 2.769 N/A THR 198.A N VAL 194.A O no hydrogen 2.753 N/A THR 198.A OG1 VAL 194.A O no hydrogen 3.050 N/A GLY 199.A N LEU 196.A O no hydrogen 2.906 N/A ASP 202.A N ARG 157.A O no hydrogen 3.054 N/A ALA 203.A N ARG 157.A O no hydrogen 3.108 N/A PHE 204.A N MET 131.A O no hydrogen 2.978 N/A ILE 205.A N GLY 159.A O no hydrogen 2.801 N/A TYR 206.A N SER 129.A O no hydrogen 3.203 N/A TYR 206.A OH GLU 10.A OE2 no hydrogen 2.626 N/A ALA 208.A N GLY 127.A O no hydrogen 2.781 N/A ALA 209.A N THR 126.A OG1 no hydrogen 3.061 N/A VAL 210.A N ASP 207.A OD2 no hydrogen 2.914 N/A LEU 211.A N ASP 207.A O no hydrogen 2.991 N/A ASN 212.A N ALA 208.A O no hydrogen 2.782 N/A TYR 213.A N ALA 209.A O no hydrogen 3.125 N/A LYS 214.A N VAL 210.A O no hydrogen 2.903 N/A LYS 214.A NZ GLU 190.A OE2 no hydrogen 3.271 N/A ALA 215.A N LEU 211.A O no hydrogen 3.082 N/A GLY 216.A N ASN 212.A O no hydrogen 3.346 N/A ARG 217.A N TYR 213.A O no hydrogen 3.341 N/A ARG 217.A NE THR 273.A O no hydrogen 2.805 N/A ARG 217.A NH2 THR 273.A O no hydrogen 3.132 N/A ASP 218.A N ALA 215.A O no hydrogen 3.068 N/A CYS 221.A N ASP 218.A O no hydrogen 3.028 N/A CYS 221.A SG ASP 218.A O no hydrogen 3.495 N/A LYS 222.A N ASP 218.A OD2 no hydrogen 2.861 N/A LEU 223.A N ASP 218.A OD2 no hydrogen 3.167 N/A VAL 224.A N VAL 132.A O no hydrogen 2.822 N/A THR 225.A OG1 ASN 212.A OD1 no hydrogen 3.423 N/A ILE 226.A N VAL 130.A O no hydrogen 2.747 N/A TYR 230.A N ILE 226.A O no hydrogen 3.174 N/A PHE 232.A N ILE 128.A O no hydrogen 2.975 N/A THR 234.A OG1 GLU 125.A OE2 no hydrogen 2.987 N/A THR 234.A OG1 THR 126.A O no hydrogen 3.470 N/A THR 235.A N THR 126.A O no hydrogen 2.902 N/A THR 235.A OG1 ILE 109.A O no hydrogen 2.617 N/A GLY 236.A N THR 235.A OG1 no hydrogen 2.739 N/A TYR 237.A N VAL 124.A O no hydrogen 2.798 N/A TYR 237.A OH ASP 207.A OD1 no hydrogen 3.382 N/A TYR 237.A OH ASP 207.A OD2 no hydrogen 2.596 N/A GLY 238.A N LEU 107.A O no hydrogen 3.252 N/A ILE 239.A N SER 120.A OG no hydrogen 2.734 N/A ALA 240.A N ALA 103.A O no hydrogen 2.972 N/A LEU 241.A N ASP 118.A O no hydrogen 2.765 N/A GLN 242.A NE2 ALA 100.A O no hydrogen 3.126 N/A LYS 243.A NZ SER 114.A O no hydrogen 2.799 N/A LYS 243.A NZ VAL 117.A O no hydrogen 2.764 N/A LYS 243.A NZ ASP 118.A OD1 no hydrogen 2.752 N/A GLY 244.A N ASP 118.A OD2 no hydrogen 2.909 N/A SER 245.A N GLN 242.A O no hydrogen 2.978 N/A TRP 247.A N SER 245.A OG no hydrogen 3.262 N/A LYS 248.A NZ PHE 119.A O no hydrogen 3.074 N/A LYS 248.A NZ ASP 252.A OD2 no hydrogen 2.719 N/A ILE 251.A N TRP 247.A O no hydrogen 2.905 N/A ASP 252.A N LYS 248.A O no hydrogen 2.798 N/A LEU 253.A N ARG 249.A O no hydrogen 2.940 N/A ALA 254.A N GLN 250.A O no hydrogen 3.210 N/A LEU 255.A N ILE 251.A O no hydrogen 2.859 N/A LEU 256.A N ASP 252.A O no hydrogen 2.928 N/A GLN 257.A N LEU 253.A O no hydrogen 2.828 N/A GLN 257.A NE2 ASP 261.A OD2 no hydrogen 3.472 N/A PHE 258.A N ALA 254.A O no hydrogen 2.899 N/A VAL 259.A N LEU 255.A O no hydrogen 3.084 N/A GLY 260.A N LEU 256.A O no hydrogen 3.204 N/A ASP 261.A N GLN 257.A O no hydrogen 2.750 N/A MET 264.A N PHE 258.A O no hydrogen 2.782 N/A GLU 266.A N GLY 262.A O no hydrogen 2.932 N/A LEU 267.A N GLU 263.A O no hydrogen 3.215 N/A GLU 268.A N MET 264.A O no hydrogen 3.078 N/A THR 269.A N GLU 265.A O no hydrogen 3.188 N/A THR 269.A N GLU 266.A O no hydrogen 2.877 N/A THR 269.A OG1 GLU 265.A O no hydrogen 3.358 N/A LEU 270.A N GLU 266.A O no hydrogen 3.129 N/A TRP 271.A N LEU 267.A O no hydrogen 3.123 N/A TRP 271.A NE1 ASP 57.A OD2 no hydrogen 2.818 N/A LEU 272.A N GLU 268.A O no hydrogen 3.035 N/A THR 273.A N GLU 268.A O no hydrogen 2.988 N/A THR 273.A OG1 THR 269.A O no hydrogen 2.728 N/A CYS 276.A N GLY 216.A O no hydrogen 2.974 N/A CYS 276.A SG ALA 215.A O no hydrogen 3.450 N/A CYS 276.A SG GLY 216.A O no hydrogen 3.425 N/A CYS 276.A SG ASP 218.A O no hydrogen 3.409 N/A