Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5d3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 6.A OD1 no hydrogen 2.552 N/A SER 2.A OG ASP 186.A OD1 no hydrogen 2.696 N/A ARG 5.A N SER 2.A OG no hydrogen 3.261 N/A ARG 5.A NE GLU 180.A OE1 no hydrogen 2.929 N/A ARG 5.A NH1 SER 1.A OG no hydrogen 2.844 N/A ARG 5.A NH2 GLU 180.A OE2 no hydrogen 2.712 N/A ASP 6.A N SER 2.A O no hydrogen 2.917 N/A GLY 7.A N ALA 3.A O no hydrogen 2.910 N/A TYR 8.A N LEU 4.A O no hydrogen 3.034 N/A ARG 9.A N ARG 5.A O no hydrogen 3.101 N/A GLN 10.A N ASP 6.A O no hydrogen 2.984 N/A ALA 11.A N GLY 7.A O no hydrogen 2.791 N/A GLY 12.A N TYR 8.A O no hydrogen 3.123 N/A VAL 13.A N ARG 9.A O no hydrogen 3.062 N/A SER 14.A N GLN 10.A O no hydrogen 2.953 N/A SER 14.A OG GLN 10.A O no hydrogen 2.775 N/A GLY 15.A N GLY 12.A O no hydrogen 3.232 N/A ARG 16.A N ALA 11.A O no hydrogen 2.954 N/A ARG 16.A NE SER 14.A OG no hydrogen 2.664 N/A ARG 16.A NH2 SER 14.A OG no hydrogen 3.222 N/A ARG 18.A NH1 ASP 22.A OD1 no hydrogen 3.258 N/A ARG 18.A NH1 ASP 196.A OD2 no hydrogen 2.669 N/A ARG 18.A NH2 ASP 196.A OD1 no hydrogen 3.457 N/A ARG 18.A NH2 ASP 196.A OD2 no hydrogen 3.357 N/A TYR 20.A N ARG 16.A O no hydrogen 3.114 N/A TYR 20.A OH LEU 4.A O no hydrogen 2.845 N/A LEU 21.A N VAL 17.A O no hydrogen 2.805 N/A ASP 22.A N ARG 18.A O no hydrogen 3.045 N/A LEU 23.A N SER 19.A O no hydrogen 3.085 N/A LEU 24.A N TYR 20.A O no hydrogen 2.900 N/A ALA 25.A N LEU 21.A O no hydrogen 2.950 N/A GLY 26.A N ASP 22.A O no hydrogen 3.004 N/A LEU 27.A N LEU 23.A O no hydrogen 2.919 N/A SER 28.A N LEU 24.A O no hydrogen 3.007 N/A SER 28.A OG ALA 25.A O no hydrogen 2.707 N/A ASP 29.A N GLY 26.A O no hydrogen 3.197 N/A PHE 30.A N LEU 27.A O no hydrogen 3.054 N/A ARG 31.A N SER 28.A O no hydrogen 3.120 N/A ARG 31.A NH1 GLY 91.A O no hydrogen 3.357 N/A ARG 31.A NH1 THR 187.A O no hydrogen 2.948 N/A ARG 31.A NH1 THR 190.A OG1 no hydrogen 2.837 N/A ARG 31.A NH2 GLY 91.A O no hydrogen 2.810 N/A ARG 31.A NH2 GLU 96.A O no hydrogen 3.126 N/A PHE 34.A N LEU 98.A O no hydrogen 2.852 N/A ASP 35.A N ASP 38.A OD2 no hydrogen 3.047 N/A SER 37.A N ASP 35.A OD1 no hydrogen 3.129 N/A SER 37.A OG ASP 35.A OD1 no hydrogen 3.032 N/A VAL 45.A N ALA 86.A O no hydrogen 2.821 N/A MET 47.A N VAL 84.A O no hydrogen 2.967 N/A ALA 48.A N VAL 84.A O no hydrogen 3.196 N/A THR 55.A N PRO 121.A O no hydrogen 3.077 N/A VAL 56.A N PRO 83.A O no hydrogen 2.809 N/A ILE 57.A N VAL 123.A O no hydrogen 2.912 N/A CYS 58.A N ARG 85.A O no hydrogen 2.791 N/A CYS 59.A N ALA 125.A O no hydrogen 2.741 N/A CYS 59.A SG ALA 125.A O no hydrogen 3.832 N/A ALA 60.A N VAL 87.A O no hydrogen 2.907 N/A SER 66.A N ALA 63.A O no hydrogen 2.958 N/A SER 66.A OG ALA 63.A O no hydrogen 3.408 N/A GLU 70.A N GLY 67.A O no hydrogen 2.920 N/A PHE 71.A N PRO 68.A O no hydrogen 3.033 N/A THR 72.A N HIS 69.A O no hydrogen 3.136 N/A THR 72.A OG1 HIS 69.A O no hydrogen 3.419 N/A ARG 73.A NH1 GLN 250.A OE1 no hydrogen 2.667 N/A ALA 75.A N PHE 71.A O no hydrogen 2.777 N/A GLY 76.A N THR 72.A O no hydrogen 2.917 N/A ALA 77.A N ARG 73.A O no hydrogen 3.045 N/A LEU 78.A N LEU 74.A O no hydrogen 3.025 N/A LEU 78.A N ALA 75.A O no hydrogen 3.101 N/A GLY 80.A N ASP 49.A O no hydrogen 2.904 N/A ILE 81.A N LEU 78.A O no hydrogen 2.767 N/A ALA 82.A N LEU 78.A O no hydrogen 3.106 N/A VAL 84.A N ALA 48.A O no hydrogen 2.879 N/A ARG 85.A N VAL 56.A O no hydrogen 2.985 N/A ARG 85.A NE ASP 46.A OD1 no hydrogen 3.037 N/A ARG 85.A NH1 GLN 117.A OE1 no hydrogen 2.842 N/A ALA 86.A N VAL 45.A O no hydrogen 2.781 N/A VAL 87.A N CYS 58.A O no hydrogen 2.811 N/A GLN 89.A NE2 ALA 60.A O no hydrogen 2.844 N/A GLY 91.A N GLU 96.A OE1 no hydrogen 2.869 N/A TYR 92.A OH THR 62.A O no hydrogen 2.702 N/A GLU 93.A N GLU 96.A OE1 no hydrogen 3.358 N/A GLU 96.A N GLU 93.A O no hydrogen 3.169 N/A LEU 98.A N GLU 32.A O no hydrogen 3.035 N/A SER 100.A N.A PHE 34.A O no hydrogen 2.893 N/A SER 100.A N.B PHE 34.A O no hydrogen 2.931 N/A SER 100.A OG.A PHE 34.A O no hydrogen 3.014 N/A SER 100.A OG.B PHE 34.A O no hydrogen 3.187 N/A ALA 104.A N SER 101.A OG no hydrogen 2.983 N/A VAL 105.A N SER 101.A O no hydrogen 3.396 N/A ALA 106.A N MET 102.A O no hydrogen 3.041 N/A ALA 107.A N ALA 103.A O no hydrogen 2.957 N/A VAL 108.A N ALA 104.A O no hydrogen 3.221 N/A GLN 109.A N VAL 105.A O no hydrogen 3.005 N/A GLN 109.A NE2 PRO 88.A O no hydrogen 3.105 N/A GLN 109.A NE2 GLN 89.A OE1 no hydrogen 2.796 N/A ALA 110.A N ALA 106.A O no hydrogen 2.779 N/A ASP 111.A N ALA 107.A O no hydrogen 2.955 N/A ALA 112.A N VAL 108.A O no hydrogen 3.231 N/A VAL 113.A N GLN 109.A O no hydrogen 2.918 N/A ILE 114.A N ALA 110.A O no hydrogen 2.975 N/A ARG 115.A N ASP 111.A O no hydrogen 2.987 N/A ARG 115.A NH2 LEU 42.A O no hydrogen 2.613 N/A ARG 115.A NH2 ASP 43.A OD1 no hydrogen 3.269 N/A THR 116.A N ALA 112.A O no hydrogen 3.081 N/A THR 116.A OG1 ALA 112.A O no hydrogen 2.914 N/A GLN 117.A N VAL 113.A O no hydrogen 2.816 N/A GLN 117.A NE2 LYS 120.A O no hydrogen 3.126 N/A GLY 118.A N ILE 114.A O no hydrogen 3.029 N/A LYS 120.A N GLN 117.A O no hydrogen 2.940 N/A VAL 123.A N THR 55.A O no hydrogen 2.863 N/A VAL 124.A N GLY 150.A O no hydrogen 3.123 N/A ALA 125.A N ILE 57.A O no hydrogen 2.811 N/A GLY 126.A N VAL 152.A O no hydrogen 3.129 N/A HIS 127.A NE2 HIS 245.A O no hydrogen 2.840 N/A SER 128.A N ILE 154.A O no hydrogen 2.892 N/A SER 128.A OG HIS 245.A NE2 no hydrogen 3.096 N/A ALA 131.A N SER 128.A O no hydrogen 2.845 N/A MET 133.A N ALA 129.A O no hydrogen 3.046 N/A ALA 134.A N GLY 130.A O no hydrogen 2.842 N/A TYR 135.A N ALA 131.A O no hydrogen 2.928 N/A TYR 135.A OH ARG 205.A O no hydrogen 2.691 N/A TYR 135.A OH THR 207.A OG1 no hydrogen 2.867 N/A ALA 136.A N LEU 132.A O no hydrogen 2.971 N/A LEU 137.A N MET 133.A O no hydrogen 2.942 N/A ALA 138.A N ALA 134.A O no hydrogen 2.859 N/A THR 139.A N TYR 135.A O no hydrogen 2.898 N/A THR 139.A OG1 TYR 135.A O no hydrogen 2.792 N/A GLU 140.A N ALA 136.A O no hydrogen 3.002 N/A LEU 141.A N LEU 137.A O no hydrogen 2.903 N/A LEU 142.A N ALA 138.A O no hydrogen 2.863 N/A ASP 143.A N THR 139.A O no hydrogen 2.868 N/A ARG 144.A N LEU 141.A O no hydrogen 3.153 N/A ARG 144.A NE GLU 140.A OE2 no hydrogen 3.176 N/A ARG 144.A NH1 ASP 111.A OD1 no hydrogen 2.944 N/A ARG 144.A NH2 ASP 111.A OD1 no hydrogen 2.938 N/A ARG 144.A NH2 GLU 140.A OE2 no hydrogen 3.248 N/A GLY 145.A N LEU 142.A O no hydrogen 3.034 N/A HIS 146.A N LEU 141.A O no hydrogen 2.888 N/A ARG 149.A N PHE 122.A O no hydrogen 2.778 N/A VAL 151.A N PRO 210.A O no hydrogen 2.899 N/A VAL 152.A N VAL 124.A O no hydrogen 2.810 N/A LEU 153.A N LEU 212.A O no hydrogen 2.786 N/A ILE 154.A N GLY 126.A O no hydrogen 2.777 N/A ASP 155.A N VAL 214.A O no hydrogen 2.826 N/A TYR 157.A OH TRP 228.A O no hydrogen 2.634 N/A HIS 161.A N PRO 158.A O no hydrogen 2.889 N/A GLN 162.A NE2 TYR 157.A O no hydrogen 2.869 N/A ASN 166.A N GLN 162.A O no hydrogen 2.896 N/A ALA 167.A N ASP 163.A O no hydrogen 2.970 N/A TRP 168.A N MET 165.A O no hydrogen 3.280 N/A LEU 169.A N ASN 166.A O no hydrogen 3.316 N/A LEU 172.A N TRP 168.A O no hydrogen 2.840 N/A THR 173.A N LEU 169.A O no hydrogen 3.068 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.844 N/A ALA 174.A N GLU 170.A O no hydrogen 2.987 N/A THR 175.A N GLU 171.A O no hydrogen 3.002 N/A THR 175.A OG1 GLU 171.A O no hydrogen 2.861 N/A LEU 176.A N LEU 172.A O no hydrogen 2.998 N/A PHE 177.A N THR 173.A O no hydrogen 3.210 N/A ASP 178.A N ALA 174.A O no hydrogen 3.132 N/A ARG 179.A N THR 175.A O no hydrogen 2.913 N/A ARG 179.A N LEU 176.A O no hydrogen 3.259 N/A ARG 179.A NH1 GLU 251.A OE1 no hydrogen 3.048 N/A ARG 179.A NH2 GLU 251.A OE2 no hydrogen 2.906 N/A THR 181.A N ARG 179.A O no hydrogen 2.838 N/A MET 184.A N GLU 180.A OE1 no hydrogen 2.806 N/A ASP 185.A N ARG 183.A O no hydrogen 2.991 N/A THR 187.A OG1 GLU 94.A OE1 no hydrogen 3.396 N/A THR 187.A OG1 GLU 94.A OE2 no hydrogen 2.649 N/A ARG 188.A N ASP 185.A OD1 no hydrogen 2.966 N/A ARG 188.A NH1 ALA 64.A O no hydrogen 2.856 N/A ARG 188.A NH1 SER 66.A O no hydrogen 2.719 N/A ARG 188.A NH2 SER 66.A O no hydrogen 3.050 N/A ARG 188.A NH2 GLU 93.A OE2 no hydrogen 2.930 N/A LEU 189.A N ASP 185.A O no hydrogen 3.012 N/A THR 190.A N ASP 186.A O no hydrogen 3.020 N/A THR 190.A OG1 ASP 186.A O no hydrogen 2.856 N/A THR 190.A OG1 THR 187.A O no hydrogen 3.216 N/A ALA 191.A N THR 187.A O no hydrogen 2.983 N/A LEU 192.A N ARG 188.A O no hydrogen 2.895 N/A GLY 193.A N LEU 189.A O no hydrogen 3.063 N/A ALA 194.A N THR 190.A O no hydrogen 3.005 N/A TYR 195.A N ALA 191.A O no hydrogen 2.924 N/A TYR 195.A OH PRO 90.A O no hydrogen 2.670 N/A ASP 196.A N LEU 192.A O no hydrogen 2.886 N/A ARG 197.A N GLY 193.A O no hydrogen 3.124 N/A ARG 197.A NH1 ASP 29.A OD2 no hydrogen 2.871 N/A ARG 197.A NH2 ASP 29.A OD1 no hydrogen 2.523 N/A LEU 198.A N ALA 194.A O no hydrogen 2.945 N/A THR 199.A N TYR 195.A O no hydrogen 2.878 N/A THR 199.A OG1 TYR 195.A O no hydrogen 3.009 N/A THR 199.A OG1 ASP 196.A O no hydrogen 3.482 N/A GLY 200.A N ASP 196.A O no hydrogen 2.999 N/A GLN 201.A N ARG 197.A O no hydrogen 3.190 N/A TRP 202.A N THR 199.A O no hydrogen 3.421 N/A ARG 203.A NH1 GLY 200.A O no hydrogen 2.741 N/A ARG 203.A NH1 TRP 202.A O no hydrogen 2.797 N/A ARG 205.A NH1 ASP 143.A OD1 no hydrogen 3.153 N/A ARG 205.A NH2 ASP 143.A OD1 no hydrogen 3.293 N/A ARG 205.A NH2 ASP 143.A OD2 no hydrogen 2.619 N/A THR 207.A OG1 TYR 135.A OH no hydrogen 2.867 N/A LEU 209.A N THR 207.A OG1 no hydrogen 3.174 N/A THR 211.A OG1 LEU 209.A O no hydrogen 2.882 N/A LEU 212.A N VAL 151.A O no hydrogen 2.858 N/A LEU 213.A N ASP 237.A O no hydrogen 2.770 N/A VAL 214.A N LEU 153.A O no hydrogen 2.877 N/A SER 215.A N.A VAL 239.A O no hydrogen 2.839 N/A SER 215.A N.B VAL 239.A O no hydrogen 2.852 N/A SER 215.A OG.A ALA 216.A O no hydrogen 2.929 N/A SER 215.A OG.B ALA 216.A O no hydrogen 3.455 N/A SER 215.A OG.B VAL 239.A O no hydrogen 3.539 N/A ALA 216.A N ASP 155.A OD1 no hydrogen 2.843 N/A GLY 217.A N GLY 243.A O no hydrogen 2.906 N/A GLU 218.A N GLY 243.A O no hydrogen 3.189 N/A TRP 223.A NE1 SER 227.A OG no hydrogen 3.014 N/A SER 227.A N ASP 225.A OD1 no hydrogen 2.897 N/A SER 227.A OG ASP 225.A OD1 no hydrogen 2.878 N/A THR 231.A N VAL 156.A O no hydrogen 3.226 N/A HIS 236.A ND1 PHE 234.A O no hydrogen 2.774 N/A ASP 237.A N THR 211.A O no hydrogen 2.833 N/A VAL 239.A N LEU 213.A O no hydrogen 2.983 N/A VAL 241.A N SER 215.A O.A no hydrogen 2.964 N/A VAL 241.A N SER 215.A O.B no hydrogen 3.083 N/A ASP 244.A N THR 247.A OG1 no hydrogen 2.989 N/A HIS 245.A ND1 ASP 155.A OD2 no hydrogen 2.600 N/A HIS 245.A NE2 SER 128.A OG no hydrogen 3.096 N/A PHE 246.A N ASP 244.A OD1 no hydrogen 2.866 N/A THR 247.A N ASP 244.A OD1 no hydrogen 2.906 N/A THR 247.A OG1 ASP 244.A OD1 no hydrogen 3.508 N/A MET 248.A N ASP 244.A O no hydrogen 2.983 N/A GLN 250.A N THR 247.A O no hydrogen 3.217 N/A GLN 250.A NE2 GLU 70.A O no hydrogen 2.792 N/A GLU 251.A N GLU 251.A OE2 no hydrogen 2.727 N/A HIS 252.A N THR 247.A O no hydrogen 3.018 N/A ALA 253.A N GLN 250.A O no hydrogen 3.066 N/A ALA 255.A N HIS 252.A O no hydrogen 2.919 N/A ILE 256.A N HIS 252.A O no hydrogen 3.434 N/A ALA 257.A N ALA 253.A O no hydrogen 2.972 N/A ARG 258.A N ASP 254.A O no hydrogen 2.993 N/A ARG 258.A NH1 ASP 254.A OD2 no hydrogen 2.855 N/A HIS 259.A N ALA 255.A O no hydrogen 3.185 N/A ILE 260.A N ILE 256.A O no hydrogen 2.944 N/A ASP 261.A N ALA 257.A O no hydrogen 2.942 N/A ALA 262.A N ARG 258.A O no hydrogen 2.991 N/A TRP 263.A N HIS 259.A O no hydrogen 2.886 N/A LEU 264.A N ILE 260.A O no hydrogen 2.863 N/A GLY 265.A N ALA 262.A O no hydrogen 2.987 N/A GLY 266.A N ASP 261.A O no hydrogen 3.047 N/A GLY 267.A N ALA 262.A O no hydrogen 3.099 N/A