Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pkj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N ASP 2.A OD1 no hydrogen 2.770 N/A CYS 6.A SG LYS 3.A O no hydrogen 3.554 N/A CYS 6.A SG GLY 4.A O no hydrogen 3.814 N/A GLY 7.A N ARG 53.A O no hydrogen 2.937 N/A ILE 11.A N LEU 222.A O no hydrogen 2.759 N/A ASP 13.A N HIS 236.A O no hydrogen 2.750 N/A LEU 18.A N PRO 14.A O no hydrogen 2.918 N/A GLU 19.A N PRO 15.A O no hydrogen 3.187 N/A ARG 20.A N GLU 16.A O no hydrogen 3.430 N/A LYS 21.A N GLU 17.A O no hydrogen 3.178 N/A LYS 21.A NZ ASP 13.A OD1 no hydrogen 3.031 N/A LYS 21.A NZ ASP 13.A OD2 no hydrogen 3.029 N/A LYS 21.A NZ GLU 17.A OE1 no hydrogen 3.064 N/A LYS 21.A NZ ARG 234.A O no hydrogen 2.718 N/A VAL 22.A N LEU 18.A O no hydrogen 3.092 N/A TRP 23.A N GLU 19.A O no hydrogen 3.233 N/A GLU 24.A N ARG 20.A O no hydrogen 3.035 N/A LEU 25.A N LYS 21.A O no hydrogen 2.883 N/A ALA 26.A N VAL 22.A O no hydrogen 2.859 N/A ARG 27.A N TRP 23.A O no hydrogen 3.020 N/A ARG 27.A NE GLU 24.A OE2 no hydrogen 2.755 N/A LEU 28.A N GLU 24.A O no hydrogen 3.141 N/A VAL 29.A N LEU 25.A O no hydrogen 3.007 N/A TRP 30.A N ALA 26.A O no hydrogen 3.067 N/A GLN 31.A N ARG 27.A O no hydrogen 3.137 N/A SER 32.A N LEU 28.A O no hydrogen 3.183 N/A SER 32.A OG LEU 28.A O no hydrogen 2.704 N/A SER 33.A N ASP 189.A OD2 no hydrogen 2.816 N/A SER 34.A N ASP 189.A OD1 no hydrogen 2.789 N/A VAL 36.A N LEU 190.A O no hydrogen 2.915 N/A PHE 37.A N PHE 97.A O no hydrogen 3.082 N/A HIS 38.A N ILE 192.A O no hydrogen 2.744 N/A HIS 38.A NE2 SER 191.A OG no hydrogen 3.094 N/A THR 39.A N VAL 99.A O no hydrogen 2.883 N/A THR 39.A OG1 SER 100.A OG no hydrogen 2.854 N/A THR 39.A OG1 HIS 107.A NE2 no hydrogen 2.823 N/A GLY 40.A N LEU 194.A O no hydrogen 3.025 N/A GLY 42.A N GLY 195.A O no hydrogen 2.840 N/A ILE 43.A N GLY 40.A O no hydrogen 3.289 N/A SER 44.A N ALA 41.A O no hydrogen 3.280 N/A SER 44.A OG ASP 104.A OD2 no hydrogen 2.611 N/A THR 45.A OG1 GLY 42.A O no hydrogen 2.844 N/A SER 47.A N SER 44.A O no hydrogen 3.012 N/A SER 47.A OG ARG 78.A O no hydrogen 2.338 N/A GLY 48.A N THR 45.A O no hydrogen 3.284 N/A ILE 49.A N SER 44.A O no hydrogen 3.374 N/A ARG 53.A NE LYS 3.A O no hydrogen 2.744 N/A GLY 54.A N ASP 51.A OD2 no hydrogen 3.003 N/A GLY 57.A N GLY 54.A O no hydrogen 2.878 N/A VAL 58.A N ASP 51.A O no hydrogen 2.871 N/A TRP 59.A N PHE 52.A O no hydrogen 2.935 N/A THR 60.A OG1 GLY 54.A O no hydrogen 2.886 N/A MET 61.A N GLY 57.A O no hydrogen 2.836 N/A GLU 62.A N VAL 58.A O no hydrogen 3.211 N/A GLU 63.A N TRP 59.A O no hydrogen 3.189 N/A ARG 64.A N THR 60.A O no hydrogen 3.311 N/A ARG 64.A N MET 61.A O no hydrogen 3.058 N/A GLY 65.A N GLU 62.A O no hydrogen 3.154 N/A LEU 66.A N MET 61.A O no hydrogen 2.744 N/A LYS 69.A NZ PHE 70.A O no hydrogen 2.889 N/A ASP 71.A N GLY 48.A O no hydrogen 2.874 N/A THR 72.A OG1 THR 73.A O no hydrogen 2.891 N/A THR 72.A OG1 SER 76.A OG no hydrogen 2.747 N/A THR 73.A N SER 76.A OG no hydrogen 3.196 N/A THR 73.A OG1 SER 76.A OG no hydrogen 2.736 N/A SER 76.A N THR 73.A OG1 no hydrogen 3.132 N/A SER 76.A OG THR 72.A OG1 no hydrogen 2.747 N/A SER 76.A OG THR 73.A O no hydrogen 3.443 N/A SER 76.A OG THR 73.A OG1 no hydrogen 2.736 N/A ARG 78.A NE PRO 79.A O no hydrogen 3.326 N/A ARG 78.A NH2 PRO 79.A O no hydrogen 3.533 N/A THR 80.A N HIS 83.A ND1 no hydrogen 3.195 N/A THR 80.A OG1 ILE 43.A O no hydrogen 3.111 N/A THR 80.A OG1 HIS 83.A ND1 no hydrogen 2.892 N/A THR 82.A N ASP 240.A OD1 no hydrogen 3.154 N/A THR 82.A OG1 ASP 240.A OD1 no hydrogen 2.800 N/A HIS 83.A N THR 80.A OG1 no hydrogen 3.382 N/A HIS 83.A ND1 THR 80.A OG1 no hydrogen 2.892 N/A MET 84.A N THR 80.A O no hydrogen 3.130 N/A ALA 85.A N GLN 81.A O no hydrogen 2.872 N/A LEU 86.A N THR 82.A O no hydrogen 3.049 N/A VAL 87.A N HIS 83.A O no hydrogen 3.201 N/A GLN 88.A N MET 84.A O no hydrogen 3.236 N/A GLN 88.A NE2 GLU 253.A O no hydrogen 2.753 N/A LEU 89.A N ALA 85.A O no hydrogen 2.865 N/A GLU 90.A N LEU 86.A O no hydrogen 3.214 N/A ARG 91.A N VAL 87.A O no hydrogen 3.056 N/A VAL 92.A N GLN 88.A O no hydrogen 3.019 N/A GLY 93.A N GLU 90.A O no hydrogen 3.044 N/A LEU 94.A N LEU 89.A O no hydrogen 2.789 N/A ARG 96.A N VAL 35.A O no hydrogen 2.785 N/A ARG 96.A NH1 ARG 96.A O no hydrogen 3.490 N/A PHE 97.A N VAL 35.A O no hydrogen 3.456 N/A LEU 98.A N LYS 116.A O no hydrogen 2.858 N/A VAL 99.A N PHE 37.A O no hydrogen 2.851 N/A SER 100.A N ALA 118.A O no hydrogen 2.847 N/A SER 100.A OG THR 39.A OG1 no hydrogen 2.854 N/A GLN 101.A N THR 39.A O no hydrogen 3.103 N/A ASN 102.A N SER 100.A OG no hydrogen 3.269 N/A ASN 102.A ND2 GLY 40.A O no hydrogen 2.845 N/A LEU 106.A N ASP 104.A OD1 no hydrogen 2.930 N/A HIS 107.A NE2 THR 39.A OG1 no hydrogen 2.823 N/A ARG 109.A N GLY 105.A O no hydrogen 3.302 N/A ARG 109.A NH1 GLU 75.A O no hydrogen 2.931 N/A ARG 109.A NH2 ASP 139.A O no hydrogen 3.353 N/A SER 110.A N LEU 106.A O no hydrogen 2.870 N/A SER 110.A OG LEU 106.A O no hydrogen 3.401 N/A SER 110.A OG HIS 107.A O no hydrogen 2.629 N/A GLY 111.A N VAL 108.A O no hydrogen 3.114 N/A PHE 112.A N HIS 107.A O no hydrogen 3.292 N/A ARG 114.A N LEU 263.A O no hydrogen 2.928 N/A ARG 114.A NH1 GLU 264.A OE1 no hydrogen 3.261 N/A ARG 114.A NH1 GLU 264.A OE2 no hydrogen 3.076 N/A ARG 114.A NH2 GLN 135.A OE1 no hydrogen 2.903 N/A ASP 115.A N GLU 264.A O no hydrogen 3.092 N/A LYS 116.A N PRO 113.A O no hydrogen 3.170 N/A LEU 117.A N ARG 114.A O no hydrogen 3.392 N/A ALA 118.A N LEU 98.A O no hydrogen 2.964 N/A GLU 119.A N ASP 177.A OD2 no hydrogen 3.153 N/A LEU 120.A N SER 100.A O no hydrogen 3.066 N/A HIS 121.A ND1 GLN 101.A O no hydrogen 2.899 N/A HIS 121.A NE2 SER 203.A OG no hydrogen 3.104 N/A GLY 122.A N GLU 119.A O no hydrogen 3.305 N/A ASN 123.A N THR 165.A OG1 no hydrogen 3.203 N/A ASN 123.A ND2 GLU 119.A OE2 no hydrogen 2.871 N/A MET 124.A N VAL 103.A O no hydrogen 2.978 N/A PHE 125.A N ASN 123.A OD1 no hydrogen 3.027 N/A VAL 126.A N ASN 123.A O no hydrogen 3.154 N/A GLU 127.A N TYR 136.A O no hydrogen 3.099 N/A GLU 128.A N ARG 163.A O no hydrogen 2.689 N/A CYS 129.A N THR 134.A O no hydrogen 3.143 N/A ALA 130.A N GLU 161.A O no hydrogen 2.922 N/A CYS 132.A SG THR 134.A OG1 no hydrogen 3.068 N/A LYS 133.A N CYS 129.A O no hydrogen 3.107 N/A TYR 136.A N GLU 127.A O no hydrogen 2.817 N/A TYR 136.A OH THR 155.A OG1 no hydrogen 3.179 N/A ARG 138.A N PHE 125.A O no hydrogen 2.769 N/A ARG 138.A NE GLU 127.A OE2 no hydrogen 2.718 N/A THR 140.A OG1 ASP 139.A OD2 no hydrogen 3.522 N/A VAL 142.A N MET 124.A O no hydrogen 2.603 N/A THR 144.A OG1 LYS 148.A O no hydrogen 3.128 N/A THR 144.A OG1 ASP 164.A OD2 no hydrogen 2.913 N/A GLY 146.A N ILE 166.A O no hydrogen 3.123 N/A LEU 147.A N ASP 164.A OD1 no hydrogen 2.785 N/A LYS 148.A N ASP 164.A OD2 no hydrogen 2.775 N/A THR 150.A N LEU 162.A O no hydrogen 2.947 N/A THR 150.A OG1 GLU 127.A OE1 no hydrogen 2.954 N/A THR 150.A OG1 LEU 162.A O no hydrogen 3.010 N/A ARG 152.A NE GLU 127.A OE1 no hydrogen 3.455 N/A ARG 152.A NE GLU 127.A OE2 no hydrogen 3.292 N/A CYS 154.A N GLY 160.A O no hydrogen 2.767 N/A CYS 154.A SG TYR 136.A OH no hydrogen 3.035 N/A THR 155.A N TYR 136.A OH no hydrogen 3.000 N/A THR 155.A OG1 TYR 136.A OH no hydrogen 3.179 N/A CYS 158.A N VAL 156.A O no hydrogen 2.895 N/A LEU 162.A N ARG 152.A O no hydrogen 3.154 N/A ARG 163.A N GLU 128.A O no hydrogen 2.741 N/A ARG 163.A NE GLU 161.A OE1 no hydrogen 3.369 N/A ARG 163.A NH2 GLU 161.A OE1 no hydrogen 3.522 N/A ASP 164.A N LYS 148.A O no hydrogen 3.216 N/A THR 165.A OG1 VAL 126.A O no hydrogen 2.756 N/A LEU 167.A N HIS 121.A O no hydrogen 3.342 N/A ASP 168.A N ASP 171.A OD2 no hydrogen 3.143 N/A TRP 169.A N ASP 168.A OD2 no hydrogen 2.855 N/A ASP 171.A N ASP 168.A O no hydrogen 3.329 N/A LEU 178.A N PRO 174.A O no hydrogen 3.025 N/A ALA 179.A N ASP 175.A O no hydrogen 3.005 N/A LEU 180.A N ARG 176.A O no hydrogen 3.066 N/A ALA 181.A N ASP 177.A O no hydrogen 2.909 N/A ASP 182.A N LEU 178.A O no hydrogen 2.842 N/A GLU 183.A N ALA 179.A O no hydrogen 3.014 N/A ALA 184.A N LEU 180.A O no hydrogen 3.011 N/A SER 185.A N ALA 181.A O no hydrogen 3.001 N/A SER 185.A OG ALA 181.A O no hydrogen 2.658 N/A ARG 186.A N ASP 182.A O no hydrogen 2.957 N/A ARG 186.A NH2 ASP 182.A OD2 no hydrogen 3.096 N/A ASN 187.A N GLU 183.A O no hydrogen 3.149 N/A ASN 187.A ND2 GLU 183.A O no hydrogen 2.735 N/A ASP 189.A N SER 34.A O no hydrogen 3.125 N/A SER 191.A N ARG 216.A O no hydrogen 3.018 N/A SER 191.A OG HIS 38.A NE2 no hydrogen 3.094 N/A SER 191.A OG THR 210.A OG1 no hydrogen 2.617 N/A ILE 192.A N VAL 36.A O no hydrogen 2.966 N/A THR 193.A N VAL 218.A O no hydrogen 2.817 N/A LEU 194.A N HIS 38.A O no hydrogen 2.727 N/A GLY 195.A N VAL 220.A O no hydrogen 3.139 N/A LEU 198.A N THR 196.A OG1 no hydrogen 3.355 N/A SER 203.A OG HIS 121.A NE2 no hydrogen 3.104 N/A GLY 204.A N ILE 200.A O no hydrogen 2.689 N/A ASN 205.A N PRO 202.A O no hydrogen 3.112 N/A LEU 206.A N PRO 202.A O no hydrogen 3.249 N/A LEU 208.A N ASN 205.A O no hydrogen 3.087 N/A ALA 209.A N LEU 206.A O no hydrogen 3.110 N/A THR 210.A OG1 SER 185.A O no hydrogen 2.646 N/A THR 210.A OG1 SER 191.A OG no hydrogen 2.617 N/A ARG 212.A N LEU 208.A O no hydrogen 3.114 N/A ARG 212.A NE LEU 208.A O no hydrogen 2.856 N/A ARG 212.A NH2 LEU 208.A O no hydrogen 3.407 N/A ARG 213.A N THR 210.A O no hydrogen 3.294 N/A ARG 213.A NH1 ASN 187.A OD1 no hydrogen 3.353 N/A GLY 215.A N THR 210.A O no hydrogen 3.139 N/A ARG 216.A N ASP 189.A O no hydrogen 2.819 N/A ARG 216.A NH2 ASP 232.A OD1 no hydrogen 3.289 N/A LEU 217.A N ASP 232.A OD2 no hydrogen 2.801 N/A VAL 218.A N SER 191.A O no hydrogen 2.909 N/A ILE 219.A N LEU 233.A O no hydrogen 2.987 N/A VAL 220.A N THR 193.A O no hydrogen 2.889 N/A ASN 221.A N ILE 235.A O no hydrogen 3.052 N/A ASN 221.A ND2 GLN 223.A O no hydrogen 2.882 N/A GLN 223.A NE2 LEU 8.A O no hydrogen 2.757 N/A GLN 223.A NE2 ARG 53.A O no hydrogen 3.094 N/A THR 225.A N ASP 228.A OD1 no hydrogen 3.168 N/A THR 225.A N ASP 228.A OD2 no hydrogen 3.031 N/A THR 225.A OG1 ASP 228.A OD1 no hydrogen 2.580 N/A LYS 226.A N SER 197.A O no hydrogen 3.250 N/A HIS 230.A N HIS 227.A O no hydrogen 3.279 N/A ALA 231.A N ASP 228.A O no hydrogen 3.368 N/A ASP 232.A N LEU 217.A O no hydrogen 2.752 N/A LEU 233.A N LEU 217.A O no hydrogen 3.378 N/A ILE 235.A N ILE 219.A O no hydrogen 2.789 N/A HIS 236.A N ASP 13.A OD2 no hydrogen 2.735 N/A VAL 242.A N TYR 238.A O no hydrogen 3.100 N/A MET 243.A N VAL 239.A O no hydrogen 2.867 N/A THR 244.A N ASP 240.A O no hydrogen 2.973 N/A THR 244.A OG1 ASP 240.A O no hydrogen 2.767 N/A THR 244.A OG1 GLU 241.A O no hydrogen 2.778 N/A ARG 245.A N GLU 241.A O no hydrogen 3.174 N/A LEU 246.A N VAL 242.A O no hydrogen 2.944 N/A MET 247.A N MET 243.A O no hydrogen 2.949 N/A GLU 248.A N THR 244.A O no hydrogen 3.217 N/A HIS 249.A N ARG 245.A O no hydrogen 3.194 N/A LEU 250.A N LEU 246.A O no hydrogen 2.971 N/A GLY 251.A N GLU 248.A O no hydrogen 3.307 N/A LEU 252.A N MET 247.A O no hydrogen 2.776 N/A TRP 257.A NE1 ARG 109.A O no hydrogen 2.944 N/A ARG 261.A N ARG 109.A O no hydrogen 3.157 N/A ALA 266.A N ASP 115.A OD1 no hydrogen 2.877 N/A ALA 266.A N ASP 115.A OD2 no hydrogen 3.252 N/A LEU 270.A N ARG 91.A O no hydrogen 2.697 N/A