Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pki_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A NZ GLU 62.A OE1 no hydrogen 3.433 N/A GLY 4.A N ASP 2.A OD1 no hydrogen 3.302 N/A LYS 5.A N GLN 206.A OE1 no hydrogen 2.725 N/A CYS 6.A SG LYS 3.A O no hydrogen 3.559 N/A CYS 6.A SG GLY 4.A O no hydrogen 3.748 N/A CYS 6.A SG GLU 63.A OE2 no hydrogen 3.519 N/A GLY 7.A N ARG 53.A O no hydrogen 2.983 N/A ILE 11.A N LEU 229.A O no hydrogen 2.604 N/A ASP 13.A N HIS 243.A O no hydrogen 2.908 N/A LEU 18.A N PRO 14.A O no hydrogen 2.891 N/A GLU 19.A N PRO 15.A O no hydrogen 3.020 N/A ARG 20.A N GLU 16.A O no hydrogen 3.132 N/A LYS 21.A N GLU 17.A O no hydrogen 2.990 N/A LYS 21.A NZ ASP 13.A OD1 no hydrogen 3.203 N/A LYS 21.A NZ ASP 13.A OD2 no hydrogen 2.971 N/A LYS 21.A NZ GLU 17.A OE1 no hydrogen 2.971 N/A LYS 21.A NZ ARG 241.A O.A no hydrogen 2.702 N/A LYS 21.A NZ ARG 241.A O.B no hydrogen 2.687 N/A VAL 22.A N LEU 18.A O no hydrogen 3.063 N/A TRP 23.A N GLU 19.A O no hydrogen 3.189 N/A GLU 24.A N ARG 20.A O no hydrogen 3.013 N/A LEU 25.A N LYS 21.A O no hydrogen 2.801 N/A ALA 26.A N VAL 22.A O no hydrogen 2.868 N/A ARG 27.A N TRP 23.A O no hydrogen 2.960 N/A ARG 27.A NE GLU 24.A OE1 no hydrogen 3.269 N/A ARG 27.A NE GLU 24.A OE2 no hydrogen 3.084 N/A ARG 27.A NH2 GLU 24.A OE2 no hydrogen 2.733 N/A LEU 28.A N GLU 24.A O no hydrogen 2.990 N/A VAL 29.A N LEU 25.A O no hydrogen 2.919 N/A TRP 30.A N ALA 26.A O no hydrogen 2.929 N/A GLN 31.A N ARG 27.A O no hydrogen 3.039 N/A SER 32.A N LEU 28.A O no hydrogen 3.095 N/A SER 32.A OG LEU 28.A O no hydrogen 2.627 N/A SER 33.A N ASP 196.A OD2 no hydrogen 3.255 N/A SER 34.A N ASP 196.A OD1 no hydrogen 2.762 N/A VAL 36.A N LEU 197.A O no hydrogen 2.844 N/A PHE 37.A N PHE 97.A O no hydrogen 2.985 N/A HIS 38.A N ILE 199.A O no hydrogen 2.887 N/A HIS 38.A NE2 SER 198.A OG no hydrogen 2.872 N/A THR 39.A N VAL 99.A O no hydrogen 2.788 N/A THR 39.A OG1 SER 100.A OG no hydrogen 2.874 N/A THR 39.A OG1 HIS 107.A NE2 no hydrogen 2.891 N/A GLY 40.A N LEU 201.A O no hydrogen 3.071 N/A GLY 42.A N GLY 202.A O no hydrogen 2.778 N/A ILE 43.A N GLY 40.A O no hydrogen 3.234 N/A SER 44.A N ALA 41.A O no hydrogen 3.245 N/A SER 44.A OG ASP 104.A OD2 no hydrogen 2.631 N/A THR 45.A OG1 GLY 42.A O no hydrogen 3.111 N/A SER 47.A N.A SER 44.A O no hydrogen 3.040 N/A SER 47.A N.B SER 44.A O no hydrogen 3.048 N/A SER 47.A OG.A SER 44.A O no hydrogen 2.667 N/A SER 47.A OG.B ARG 78.A O no hydrogen 2.474 N/A GLY 48.A N THR 45.A O no hydrogen 3.055 N/A ILE 49.A N SER 44.A O no hydrogen 3.358 N/A ARG 53.A NE LYS 3.A O no hydrogen 2.721 N/A GLY 54.A N ASP 51.A OD2 no hydrogen 2.968 N/A GLY 57.A N GLY 54.A O no hydrogen 2.961 N/A VAL 58.A N ASP 51.A O no hydrogen 2.797 N/A TRP 59.A N PHE 52.A O no hydrogen 2.830 N/A THR 60.A N PHE 52.A O no hydrogen 3.330 N/A THR 60.A OG1 GLY 54.A O no hydrogen 2.859 N/A MET 61.A N GLY 57.A O no hydrogen 2.821 N/A GLU 62.A N VAL 58.A O no hydrogen 3.125 N/A GLU 63.A N TRP 59.A O no hydrogen 2.854 N/A ARG 64.A N THR 60.A O no hydrogen 3.232 N/A GLY 65.A N GLU 62.A O no hydrogen 3.332 N/A LEU 66.A N MET 61.A O no hydrogen 2.697 N/A LYS 69.A NZ PHE 70.A O no hydrogen 2.909 N/A ASP 71.A N GLY 48.A O no hydrogen 2.857 N/A THR 72.A OG1 THR 73.A O no hydrogen 3.023 N/A THR 72.A OG1 SER 76.A OG no hydrogen 2.971 N/A THR 73.A N SER 76.A OG no hydrogen 3.248 N/A THR 73.A OG1 SER 76.A OG no hydrogen 2.706 N/A GLU 75.A N GLU 75.A OE1 no hydrogen 3.127 N/A SER 76.A N THR 73.A OG1 no hydrogen 3.046 N/A SER 76.A OG THR 72.A OG1 no hydrogen 2.971 N/A SER 76.A OG THR 73.A O no hydrogen 3.505 N/A SER 76.A OG THR 73.A OG1 no hydrogen 2.706 N/A ALA 77.A N THR 73.A O no hydrogen 3.042 N/A ARG 78.A NE PRO 79.A O no hydrogen 3.007 N/A ARG 78.A NH2 PRO 79.A O no hydrogen 3.288 N/A THR 80.A N HIS 83.A ND1 no hydrogen 3.120 N/A THR 80.A OG1 ILE 43.A O no hydrogen 3.113 N/A THR 80.A OG1 HIS 83.A ND1 no hydrogen 2.752 N/A GLN 81.A NE2 ASP 247.A OD2 no hydrogen 3.556 N/A THR 82.A N ASP 247.A OD1 no hydrogen 3.094 N/A THR 82.A OG1 ASP 247.A OD1 no hydrogen 2.679 N/A HIS 83.A N THR 80.A OG1 no hydrogen 3.234 N/A HIS 83.A ND1 THR 80.A OG1 no hydrogen 2.752 N/A MET 84.A N THR 80.A O no hydrogen 3.113 N/A ALA 85.A N GLN 81.A O no hydrogen 2.865 N/A LEU 86.A N THR 82.A O no hydrogen 3.065 N/A VAL 87.A N HIS 83.A O no hydrogen 3.253 N/A GLN 88.A N MET 84.A O no hydrogen 3.191 N/A LEU 89.A N ALA 85.A O no hydrogen 2.923 N/A GLU 90.A N LEU 86.A O no hydrogen 3.176 N/A ARG 91.A N VAL 87.A O no hydrogen 3.046 N/A VAL 92.A N GLN 88.A O no hydrogen 3.102 N/A GLY 93.A N GLU 90.A O no hydrogen 3.097 N/A LEU 94.A N LEU 89.A O no hydrogen 2.717 N/A ARG 96.A N VAL 35.A O no hydrogen 2.744 N/A PHE 97.A N VAL 35.A O no hydrogen 3.474 N/A LEU 98.A N LYS 116.A O no hydrogen 2.878 N/A VAL 99.A N PHE 37.A O no hydrogen 2.738 N/A SER 100.A N ALA 118.A O no hydrogen 2.817 N/A SER 100.A OG THR 39.A O no hydrogen 3.536 N/A SER 100.A OG THR 39.A OG1 no hydrogen 2.874 N/A GLN 101.A N THR 39.A O no hydrogen 3.084 N/A GLN 101.A NE2 THR 203.A OG1 no hydrogen 3.003 N/A ASN 102.A N SER 100.A OG no hydrogen 3.202 N/A ASN 102.A ND2 GLY 40.A O no hydrogen 3.084 N/A LEU 106.A N ASP 104.A OD1 no hydrogen 2.964 N/A HIS 107.A NE2 THR 39.A OG1 no hydrogen 2.891 N/A ARG 109.A N GLY 105.A O no hydrogen 3.186 N/A ARG 109.A NH1 GLU 75.A O no hydrogen 3.162 N/A SER 110.A N LEU 106.A O no hydrogen 2.856 N/A SER 110.A OG LEU 106.A O no hydrogen 3.421 N/A SER 110.A OG HIS 107.A O no hydrogen 2.648 N/A GLY 111.A N VAL 108.A O no hydrogen 3.054 N/A PHE 112.A N HIS 107.A O no hydrogen 3.219 N/A ARG 114.A N LEU 270.A O no hydrogen 2.875 N/A ARG 114.A NH1 GLU 271.A OE1 no hydrogen 3.312 N/A ARG 114.A NH1 GLU 271.A OE2 no hydrogen 3.387 N/A ARG 114.A NH2 GLN 135.A OE1 no hydrogen 2.774 N/A ASP 115.A N GLU 271.A O no hydrogen 2.991 N/A LYS 116.A N PRO 113.A O no hydrogen 3.129 N/A LYS 116.A NZ GLU 90.A OE2 no hydrogen 2.877 N/A LEU 117.A N ARG 114.A O no hydrogen 3.144 N/A ALA 118.A N LEU 98.A O no hydrogen 2.929 N/A GLU 119.A N ASP 184.A OD2 no hydrogen 3.142 N/A LEU 120.A N SER 100.A O no hydrogen 3.114 N/A HIS 121.A NE2 SER 210.A OG no hydrogen 2.765 N/A ASN 123.A N THR 172.A OG1 no hydrogen 3.160 N/A ASN 123.A ND2 GLU 119.A OE2 no hydrogen 2.883 N/A MET 124.A N VAL 103.A O no hydrogen 2.885 N/A PHE 125.A N ASN 123.A OD1 no hydrogen 2.992 N/A VAL 126.A N ASN 123.A O no hydrogen 2.985 N/A GLU 127.A N TYR 136.A O no hydrogen 3.189 N/A GLU 128.A N ARG 170.A O no hydrogen 2.765 N/A CYS 129.A N THR 134.A O no hydrogen 2.881 N/A ALA 130.A N GLU 168.A O no hydrogen 2.782 N/A CYS 132.A SG THR 134.A OG1 no hydrogen 3.190 N/A LYS 133.A N CYS 129.A O no hydrogen 3.161 N/A LYS 133.A NZ ALA 130.A O no hydrogen 3.007 N/A GLN 135.A NE2 GLU 128.A OE2 no hydrogen 2.748 N/A TYR 136.A N GLU 127.A O no hydrogen 2.787 N/A ARG 138.A N PHE 125.A O no hydrogen 2.814 N/A ARG 138.A NE GLU 127.A OE2 no hydrogen 2.669 N/A ARG 138.A NH2 GLU 127.A OE2 no hydrogen 3.032 N/A THR 140.A OG1 ASP 139.A OD2 no hydrogen 3.446 N/A VAL 141.A N GLU 75.A OE2 no hydrogen 2.863 N/A VAL 142.A N MET 124.A O no hydrogen 2.646 N/A THR 144.A OG1 LYS 148.A O no hydrogen 3.560 N/A THR 144.A OG1 ASP 171.A OD2 no hydrogen 2.861 N/A GLY 146.A N ILE 173.A O no hydrogen 2.900 N/A LEU 147.A N ASP 171.A OD1 no hydrogen 2.870 N/A LYS 148.A N ASP 171.A OD2 no hydrogen 2.849 N/A LYS 148.A NZ MET 145.A O no hydrogen 2.720 N/A THR 150.A N LEU 169.A O no hydrogen 3.026 N/A THR 150.A OG1 GLU 127.A OE1 no hydrogen 2.810 N/A THR 150.A OG1 LEU 169.A O no hydrogen 3.285 N/A ARG 152.A NE GLU 127.A OE1 no hydrogen 3.313 N/A ARG 152.A NE GLU 127.A OE2 no hydrogen 2.804 N/A ARG 152.A NH1 GLU 127.A OE1 no hydrogen 2.832 N/A ARG 152.A NH1 GLU 127.A OE2 no hydrogen 3.468 N/A CYS 154.A N GLY 167.A O no hydrogen 2.695 N/A CYS 154.A SG TYR 136.A OH no hydrogen 3.058 N/A THR 155.A N TYR 136.A OH no hydrogen 2.929 N/A ALA 159.A N LEU 162.A O no hydrogen 2.731 N/A CYS 165.A N VAL 156.A O no hydrogen 3.227 N/A LEU 169.A N ARG 152.A O no hydrogen 3.110 N/A ARG 170.A N GLU 128.A O no hydrogen 2.858 N/A ARG 170.A NE GLU 168.A OE1 no hydrogen 2.932 N/A ARG 170.A NH2 GLU 168.A OE1 no hydrogen 3.139 N/A ASP 171.A N LYS 148.A O no hydrogen 3.179 N/A THR 172.A OG1 VAL 126.A O no hydrogen 2.858 N/A ILE 173.A N ASP 171.A OD1 no hydrogen 3.031 N/A LEU 174.A N HIS 121.A O no hydrogen 3.350 N/A ASP 175.A N ASP 178.A OD2 no hydrogen 2.728 N/A TRP 176.A N ASP 175.A OD1 no hydrogen 2.863 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.875 N/A ASP 178.A N ASP 175.A O no hydrogen 3.156 N/A LEU 185.A N PRO 181.A O no hydrogen 3.010 N/A ALA 186.A N ASP 182.A O no hydrogen 2.929 N/A LEU 187.A N ARG 183.A O no hydrogen 2.968 N/A ALA 188.A N ASP 184.A O no hydrogen 2.855 N/A ASP 189.A N LEU 185.A O no hydrogen 2.834 N/A GLU 190.A N ALA 186.A O no hydrogen 2.989 N/A ALA 191.A N LEU 187.A O no hydrogen 3.072 N/A SER 192.A N ALA 188.A O no hydrogen 3.010 N/A SER 192.A OG ALA 188.A O no hydrogen 2.818 N/A SER 192.A OG LEU 213.A O no hydrogen 3.542 N/A ARG 193.A N ASP 189.A O no hydrogen 2.991 N/A ARG 193.A NH2 ASP 189.A OD2 no hydrogen 3.537 N/A ASN 194.A N GLU 190.A O no hydrogen 3.161 N/A ALA 195.A N SER 192.A O no hydrogen 3.281 N/A ASP 196.A N SER 34.A O no hydrogen 3.072 N/A LEU 197.A N SER 34.A O no hydrogen 3.284 N/A SER 198.A N ARG 223.A O no hydrogen 2.949 N/A SER 198.A OG HIS 38.A NE2 no hydrogen 2.872 N/A SER 198.A OG THR 217.A OG1 no hydrogen 2.692 N/A ILE 199.A N VAL 36.A O no hydrogen 2.915 N/A THR 200.A N VAL 225.A O no hydrogen 2.795 N/A LEU 201.A N HIS 38.A O no hydrogen 2.797 N/A GLY 202.A N VAL 227.A O no hydrogen 3.055 N/A LEU 205.A N THR 203.A OG1 no hydrogen 3.223 N/A GLN 206.A NE2 LYS 5.A O no hydrogen 2.919 N/A SER 210.A OG HIS 121.A NE2 no hydrogen 2.765 N/A GLY 211.A N ILE 207.A O no hydrogen 2.618 N/A ASN 212.A N PRO 209.A O no hydrogen 2.882 N/A LEU 213.A N PRO 209.A O no hydrogen 3.229 N/A LEU 215.A N ASN 212.A O no hydrogen 2.903 N/A ALA 216.A N LEU 213.A O no hydrogen 3.069 N/A THR 217.A OG1 SER 192.A O no hydrogen 2.669 N/A THR 217.A OG1 SER 198.A OG no hydrogen 2.692 N/A LYS 218.A NZ ASP 239.A OD1 no hydrogen 2.834 N/A LYS 218.A NZ ASP 239.A OD2 no hydrogen 2.971 N/A ARG 219.A N LEU 215.A O no hydrogen 2.984 N/A GLY 221.A N LYS 218.A O no hydrogen 3.298 N/A GLY 222.A N THR 217.A O no hydrogen 2.862 N/A ARG 223.A N ASP 196.A O no hydrogen 2.901 N/A LEU 224.A N ASP 239.A OD2 no hydrogen 2.781 N/A VAL 225.A N SER 198.A O no hydrogen 2.842 N/A ILE 226.A N LEU 240.A O no hydrogen 2.961 N/A VAL 227.A N THR 200.A O no hydrogen 2.816 N/A ASN 228.A N ILE 242.A O no hydrogen 3.011 N/A ASN 228.A ND2 GLN 230.A O no hydrogen 2.866 N/A GLN 230.A NE2 LEU 8.A O no hydrogen 2.739 N/A GLN 230.A NE2 ARG 53.A O no hydrogen 3.018 N/A THR 232.A N ASP 235.A OD1 no hydrogen 3.150 N/A THR 232.A N ASP 235.A OD2 no hydrogen 2.832 N/A THR 232.A OG1 ASP 235.A OD1 no hydrogen 2.673 N/A LYS 233.A N SER 204.A O no hydrogen 3.043 N/A HIS 234.A NE2 ASN 212.A OD1 no hydrogen 3.018 N/A HIS 237.A N HIS 234.A O no hydrogen 3.137 N/A ALA 238.A N ASP 235.A O no hydrogen 3.230 N/A ASP 239.A N LEU 224.A O no hydrogen 2.723 N/A LEU 240.A N LEU 224.A O no hydrogen 3.404 N/A ARG 241.A NE.A ASP 235.A O no hydrogen 3.120 N/A ARG 241.A NH1.A ALA 238.A O no hydrogen 3.078 N/A ARG 241.A NH1.B ASN 228.A O no hydrogen 3.270 N/A ARG 241.A NH2.B GLN 230.A O no hydrogen 2.792 N/A ARG 241.A NH2.B ASP 235.A OD2 no hydrogen 3.546 N/A ILE 242.A N ILE 226.A O no hydrogen 2.771 N/A HIS 243.A N ASP 13.A OD2 no hydrogen 2.820 N/A HIS 243.A ND1 ASP 13.A OD1 no hydrogen 2.910 N/A VAL 249.A N TYR 245.A O no hydrogen 2.998 N/A MET 250.A N VAL 246.A O.A no hydrogen 2.751 N/A THR 251.A N.A ASP 247.A O no hydrogen 3.025 N/A THR 251.A N.B ASP 247.A O no hydrogen 3.030 N/A THR 251.A OG1.A ASP 247.A O no hydrogen 2.704 N/A THR 251.A OG1.B ASP 247.A O no hydrogen 2.804 N/A THR 251.A OG1.B GLU 248.A O no hydrogen 3.045 N/A ARG 252.A N GLU 248.A O no hydrogen 3.151 N/A ARG 252.A NE GLU 19.A OE1 no hydrogen 3.043 N/A ARG 252.A NH1 GLU 19.A OE1 no hydrogen 2.744 N/A LEU 253.A N VAL 249.A O no hydrogen 2.932 N/A MET 254.A N MET 250.A O no hydrogen 2.909 N/A GLU 255.A N THR 251.A O.A no hydrogen 3.132 N/A GLU 255.A N THR 251.A O.B no hydrogen 3.139 N/A HIS 256.A N ARG 252.A O no hydrogen 2.981 N/A LEU 257.A N LEU 253.A O no hydrogen 2.949 N/A GLY 258.A N GLU 255.A O no hydrogen 3.052 N/A LEU 259.A N MET 254.A O no hydrogen 2.832 N/A TRP 264.A NE1 ARG 109.A O no hydrogen 2.738 N/A ARG 268.A N ARG 109.A O no hydrogen 3.229 N/A ARG 268.A NH1 PRO 267.A O no hydrogen 3.381 N/A ALA 273.A N ASP 115.A OD1 no hydrogen 2.910 N/A ALA 273.A N ASP 115.A OD2 no hydrogen 3.430 N/A LEU 277.A N ARG 91.A O no hydrogen 2.682 N/A ARG 279.A NH1 VAL 92.A O no hydrogen 3.109 N/A