Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2g72_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 5.A N ALA 1.A O no hydrogen 2.990 N/A ALA 6.A N PRO 2.A O no hydrogen 3.275 N/A VAL 7.A N GLY 3.A O no hydrogen 3.416 N/A ALA 8.A N GLN 4.A O no hydrogen 2.906 N/A SER 9.A N ALA 5.A O no hydrogen 3.194 N/A SER 9.A N ALA 6.A O no hydrogen 3.217 N/A ALA 10.A N ALA 6.A O no hydrogen 3.196 N/A TYR 11.A N VAL 7.A O no hydrogen 2.963 N/A TYR 11.A OH ALA 170.A O no hydrogen 2.506 N/A TYR 11.A OH TYR 206.A OH no hydrogen 2.916 N/A GLN 12.A N SER 9.A O no hydrogen 3.247 N/A ARG 13.A N ALA 10.A O no hydrogen 3.144 N/A PHE 14.A N TYR 11.A O no hydrogen 3.111 N/A GLU 15.A N ALA 208.A O no hydrogen 3.039 N/A ARG 17.A NH1 GLU 93.A OE2 no hydrogen 3.083 N/A TYR 19.A N GLU 15.A O no hydrogen 2.968 N/A LEU 20.A N PRO 16.A O no hydrogen 2.866 N/A ARG 21.A N ARG 17.A O no hydrogen 2.959 N/A ASN 22.A N ALA 18.A O no hydrogen 2.943 N/A ASN 22.A ND2 LEU 207.A O no hydrogen 3.122 N/A ASN 23.A N TYR 19.A O no hydrogen 3.087 N/A ASN 23.A ND2 TYR 19.A O no hydrogen 3.053 N/A TYR 24.A N LEU 20.A O no hydrogen 2.673 N/A TYR 24.A OH TYR 69.A OH no hydrogen 3.299 N/A ARG 28.A NE LEU 246.A O no hydrogen 2.908 N/A ARG 28.A NH1 ASN 23.A OD1 no hydrogen 3.019 N/A ARG 28.A NH1 ASP 251.A OD2 no hydrogen 2.832 N/A ARG 28.A NH2 LEU 246.A O no hydrogen 2.875 N/A ARG 28.A NH2 ASP 251.A OD1 no hydrogen 3.047 N/A GLY 29.A N ALA 25.A O no hydrogen 2.878 N/A ASP 30.A N PRO 27.A O no hydrogen 3.036 N/A CYS 32.A N ASP 30.A OD2 no hydrogen 2.960 N/A ASN 35.A N ASN 33.A OD1 no hydrogen 3.125 N/A GLY 36.A N ASN 33.A O no hydrogen 3.060 N/A TRP 40.A N GLY 36.A O no hydrogen 3.155 N/A LYS 41.A N VAL 37.A O no hydrogen 2.837 N/A LYS 41.A NZ LYS 41.A O no hydrogen 2.946 N/A LEU 42.A N GLY 38.A O no hydrogen 3.094 N/A ARG 43.A N PRO 39.A O no hydrogen 2.952 N/A ARG 43.A NH1 PRO 34.A O no hydrogen 3.291 N/A CYS 44.A N.A TRP 40.A O no hydrogen 3.064 N/A CYS 44.A N.B TRP 40.A O no hydrogen 2.940 N/A CYS 44.A SG.A LYS 41.A O no hydrogen 3.952 N/A CYS 44.A SG.B TRP 40.A O no hydrogen 3.694 N/A LEU 45.A N.A LYS 41.A O no hydrogen 2.991 N/A LEU 45.A N.B LYS 41.A O no hydrogen 2.977 N/A ALA 46.A N LEU 42.A O no hydrogen 2.897 N/A GLN 47.A N ARG 43.A O.A no hydrogen 2.880 N/A GLN 47.A N ARG 43.A O.B no hydrogen 3.033 N/A THR 48.A N CYS 44.A O.A no hydrogen 3.340 N/A THR 48.A N CYS 44.A O.B no hydrogen 3.143 N/A THR 48.A OG1 CYS 44.A O.A no hydrogen 2.652 N/A THR 48.A OG1 CYS 44.A O.B no hydrogen 2.848 N/A PHE 49.A N LEU 45.A O no hydrogen 3.290 N/A ALA 50.A N ALA 46.A O no hydrogen 2.846 N/A THR 51.A N THR 48.A O no hydrogen 3.396 N/A THR 51.A OG1 THR 48.A O no hydrogen 2.677 N/A GLY 52.A N PHE 49.A O no hydrogen 3.057 N/A GLU 53.A N THR 51.A OG1 no hydrogen 3.037 N/A SER 55.A OG GLY 52.A O no hydrogen 3.538 N/A ARG 57.A N ASP 160.A OD1 no hydrogen 2.784 N/A THR 58.A N ASP 160.A OD1 no hydrogen 3.302 N/A LEU 59.A N ASP 80.A O no hydrogen 2.858 N/A ILE 60.A N ALA 161.A O no hydrogen 3.203 N/A ASP 61.A N THR 82.A O no hydrogen 2.772 N/A ILE 62.A N VAL 163.A O no hydrogen 2.757 N/A GLY 63.A N THR 84.A OG1 no hydrogen 3.279 N/A SER 64.A N THR 84.A O no hydrogen 2.650 N/A SER 64.A OG ASP 61.A O no hydrogen 3.323 N/A SER 64.A OG ASP 61.A OD2 no hydrogen 2.495 N/A SER 64.A OG THR 84.A O no hydrogen 3.208 N/A GLY 65.A N ASP 85.A OD1 no hydrogen 2.973 N/A THR 67.A N SER 64.A O no hydrogen 3.242 N/A THR 67.A OG1 SER 64.A O no hydrogen 3.370 N/A THR 67.A OG1 GLN 70.A OE1 no hydrogen 2.708 N/A TYR 69.A OH TYR 24.A OH no hydrogen 3.299 N/A GLN 70.A N GLN 70.A OE1 no hydrogen 2.700 N/A GLN 70.A NE2 ASP 61.A OD2 no hydrogen 2.788 N/A GLN 70.A NE2 SER 64.A O no hydrogen 3.527 N/A GLN 70.A NE2 THR 67.A O no hydrogen 2.950 N/A LEU 71.A N VAL 68.A O no hydrogen 2.826 N/A LEU 72.A N TYR 69.A O no hydrogen 3.185 N/A SER 73.A OG GLU 118.A OE2 no hydrogen 2.618 N/A CYS 75.A N LEU 71.A O no hydrogen 2.885 N/A CYS 75.A SG LEU 72.A O no hydrogen 3.429 N/A CYS 75.A SG GLN 130.A OE1 no hydrogen 4.042 N/A SER 76.A OG HIS 77.A ND1 no hydrogen 3.285 N/A HIS 77.A N ALA 74.A O no hydrogen 2.910 N/A ASP 80.A N ARG 57.A O no hydrogen 2.928 N/A ILE 81.A N ARG 134.A O no hydrogen 2.840 N/A THR 82.A N LEU 59.A O no hydrogen 2.740 N/A MET 83.A N ARG 137.A O no hydrogen 2.965 N/A THR 84.A N SER 64.A OG no hydrogen 3.098 N/A THR 84.A OG1 ASP 61.A O no hydrogen 2.679 N/A ASP 85.A N LEU 139.A O no hydrogen 3.052 N/A LEU 87.A N ASP 85.A OD2 no hydrogen 3.035 N/A ASN 90.A ND2 ASP 85.A OD2 no hydrogen 2.955 N/A ARG 91.A N LEU 87.A O no hydrogen 3.359 N/A ARG 91.A NH1 ASP 85.A O no hydrogen 2.659 N/A GLN 92.A N GLU 88.A O.A no hydrogen 2.905 N/A GLN 92.A N GLU 88.A O.B no hydrogen 2.842 N/A GLU 93.A N VAL 89.A O no hydrogen 2.924 N/A LEU 94.A N ASN 90.A O no hydrogen 2.839 N/A GLY 95.A N ARG 91.A O no hydrogen 3.073 N/A ARG 96.A N GLN 92.A O no hydrogen 2.977 N/A ARG 96.A NH2 GLU 93.A OE1 no hydrogen 3.343 N/A TRP 97.A N LEU 94.A O no hydrogen 3.037 N/A LEU 98.A N LEU 94.A O no hydrogen 2.813 N/A GLN 99.A N GLY 95.A O no hydrogen 2.805 N/A GLU 100.A N TRP 97.A O no hydrogen 3.109 N/A GLU 101.A N ARG 96.A O no hydrogen 2.623 N/A SER 108.A N ASN 106.A OD1 no hydrogen 2.901 N/A SER 108.A OG ASN 106.A OD1 no hydrogen 2.858 N/A TYR 110.A OH TYR 24.A O no hydrogen 2.572 N/A SER 111.A N TRP 107.A O no hydrogen 3.045 N/A SER 111.A OG TRP 107.A O no hydrogen 3.367 N/A SER 111.A OG GLU 128.A OE2 no hydrogen 2.741 N/A GLN 112.A N SER 108.A O no hydrogen 2.909 N/A HIS 113.A N MET 109.A O no hydrogen 2.956 N/A ALA 114.A N TYR 110.A O no hydrogen 2.864 N/A CYS 115.A N SER 111.A O no hydrogen 2.977 N/A CYS 115.A SG SER 111.A O no hydrogen 3.361 N/A CYS 115.A SG GLU 122.A O no hydrogen 3.328 N/A LEU 116.A N GLN 112.A O no hydrogen 2.822 N/A ILE 117.A N HIS 113.A O no hydrogen 2.838 N/A GLU 118.A N ALA 114.A O no hydrogen 2.877 N/A GLY 119.A N CYS 115.A O no hydrogen 3.085 N/A CYS 123.A SG GLN 125.A OE1 no hydrogen 3.527 N/A GLN 125.A N GLN 125.A OE1 no hydrogen 2.834 N/A ASP 126.A N CYS 123.A O no hydrogen 3.181 N/A LYS 127.A N CYS 123.A O no hydrogen 3.424 N/A LYS 127.A NZ LEU 72.A O no hydrogen 3.192 N/A LYS 127.A NZ GLU 118.A OE1 no hydrogen 2.650 N/A LYS 127.A NZ GLU 118.A OE2 no hydrogen 2.967 N/A LYS 127.A NZ GLU 122.A OE1 no hydrogen 3.431 N/A GLU 128.A N TRP 124.A O no hydrogen 3.046 N/A ARG 129.A N GLN 125.A O no hydrogen 2.832 N/A ARG 129.A NE ASP 126.A OD1 no hydrogen 3.396 N/A ARG 129.A NH2 ASP 126.A OD1 no hydrogen 2.682 N/A GLN 130.A N ASP 126.A O no hydrogen 2.879 N/A LEU 131.A N LYS 127.A O no hydrogen 2.970 N/A ARG 132.A N GLU 128.A O no hydrogen 2.955 N/A ARG 132.A NE TRP 97.A O no hydrogen 2.845 N/A ARG 132.A NH1 GLU 128.A OE1 no hydrogen 3.399 N/A ARG 132.A NH2 TRP 97.A O no hydrogen 2.891 N/A ALA 133.A N ARG 129.A O no hydrogen 2.941 N/A ARG 134.A N GLN 130.A O no hydrogen 2.951 N/A ARG 134.A NH1 CYS 75.A O no hydrogen 2.949 N/A VAL 135.A N LEU 131.A O no hydrogen 3.005 N/A LYS 136.A N ILE 81.A O no hydrogen 2.991 N/A LYS 136.A NZ ALA 133.A O no hydrogen 2.865 N/A ARG 137.A NH1 ASP 80.A OD1 no hydrogen 3.545 N/A ARG 137.A NH1 ASP 80.A OD2 no hydrogen 3.006 N/A ARG 137.A NH1 THR 82.A OG1 no hydrogen 2.687 N/A ARG 137.A NH2 ASP 80.A OD1 no hydrogen 2.654 N/A LEU 139.A N MET 83.A O no hydrogen 2.870 N/A ASP 142.A N PRO 148.A O no hydrogen 3.154 N/A HIS 144.A N ASP 142.A OD1 no hydrogen 2.703 N/A HIS 144.A NE2 VAL 171.A O no hydrogen 2.839 N/A GLN 145.A N ASP 142.A O no hydrogen 2.987 N/A GLN 145.A NE2 ASP 142.A OD2 no hydrogen 3.211 N/A GLY 150.A N GLN 147.A O no hydrogen 2.894 N/A ALA 159.A N LEU 188.A O no hydrogen 2.940 N/A ASP 160.A N THR 58.A O no hydrogen 3.129 N/A LEU 162.A N HIS 194.A O no hydrogen 2.784 N/A VAL 163.A N ILE 60.A O no hydrogen 2.955 N/A SER 164.A N LEU 196.A O no hydrogen 2.974 N/A SER 164.A OG ILE 62.A O no hydrogen 3.007 N/A PHE 166.A N ILE 198.A O no hydrogen 2.678 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.735 N/A ALA 170.A N CYS 167.A O no hydrogen 2.842 N/A VAL 171.A N LEU 168.A O no hydrogen 3.227 N/A SER 172.A OG LEU 168.A O no hydrogen 2.802 N/A SER 177.A N ASP 174.A OD1 no hydrogen 2.792 N/A PHE 178.A N ASP 174.A O no hydrogen 2.960 N/A GLN 179.A N LEU 175.A O no hydrogen 2.841 N/A GLN 179.A NE2 GLN 179.A O no hydrogen 3.203 N/A GLN 179.A NE2 ALA 226.A O no hydrogen 3.238 N/A ARG 180.A N ALA 176.A O no hydrogen 3.075 N/A ALA 181.A N SER 177.A O no hydrogen 2.943 N/A LEU 182.A N PHE 178.A O no hydrogen 2.987 N/A ASP 183.A N GLN 179.A O no hydrogen 2.909 N/A HIS 184.A N ARG 180.A O no hydrogen 2.718 N/A HIS 184.A ND1 VAL 143.A O no hydrogen 2.774 N/A ILE 185.A N ALA 181.A O no hydrogen 3.031 N/A THR 186.A N LEU 182.A O no hydrogen 2.896 N/A THR 186.A OG1 LEU 182.A O no hydrogen 2.794 N/A THR 186.A OG1 TYR 232.A OH no hydrogen 2.807 N/A THR 187.A N HIS 184.A O no hydrogen 3.210 N/A THR 187.A OG1 HIS 184.A O no hydrogen 2.592 N/A LEU 188.A N ILE 185.A O no hydrogen 2.909 N/A LEU 189.A N THR 186.A O no hydrogen 2.997 N/A ARG 190.A N ALA 159.A O no hydrogen 2.943 N/A ARG 190.A NE PRO 191.A O no hydrogen 2.637 N/A ARG 190.A NH2 PRO 191.A O no hydrogen 3.286 N/A GLY 192.A N LYS 263.A O no hydrogen 2.512 N/A GLY 193.A N ARG 190.A O no hydrogen 2.658 N/A HIS 194.A N ASP 160.A O no hydrogen 3.406 N/A LEU 195.A N ALA 261.A O no hydrogen 2.683 N/A LEU 196.A N LEU 162.A O no hydrogen 3.002 N/A LEU 197.A N ALA 259.A O no hydrogen 2.755 N/A ILE 198.A N SER 164.A O no hydrogen 2.704 N/A GLY 199.A N PHE 257.A O no hydrogen 3.090 N/A ALA 200.A N GLU 169.A OE2 no hydrogen 2.681 N/A LEU 201.A N GLY 255.A O no hydrogen 2.790 N/A GLU 202.A N VAL 218.A O no hydrogen 2.830 N/A SER 204.A N ASP 252.A OD2 no hydrogen 2.833 N/A SER 204.A OG ASP 252.A OD1 no hydrogen 2.762 N/A TRP 205.A N ASP 252.A OD2 no hydrogen 3.226 N/A TYR 206.A N LEU 213.A O no hydrogen 3.127 N/A TYR 206.A OH TYR 11.A OH no hydrogen 2.916 N/A LEU 207.A N VAL 250.A O no hydrogen 2.896 N/A ALA 208.A N ALA 211.A O no hydrogen 2.977 N/A GLU 210.A N GLU 15.A OE2 no hydrogen 2.807 N/A ALA 211.A N ALA 208.A O no hydrogen 3.426 N/A LEU 213.A N TYR 206.A O no hydrogen 2.911 N/A VAL 215.A N SER 204.A O no hydrogen 3.126 N/A VAL 216.A N GLU 169.A O no hydrogen 2.998 N/A SER 219.A N GLU 222.A OE2 no hydrogen 3.118 N/A GLU 222.A N SER 219.A OG no hydrogen 3.121 N/A VAL 223.A N SER 219.A O no hydrogen 2.928 N/A ARG 224.A N GLU 220.A O no hydrogen 2.795 N/A ARG 224.A NE GLU 221.A OE1.A no hydrogen 3.450 N/A ARG 224.A NH2 GLU 221.A OE1.A no hydrogen 3.275 N/A GLU 225.A N GLU 221.A O.A no hydrogen 2.768 N/A GLU 225.A N GLU 221.A O.B no hydrogen 2.856 N/A ALA 226.A N GLU 222.A O no hydrogen 2.883 N/A LEU 227.A N VAL 223.A O no hydrogen 2.893 N/A VAL 228.A N ARG 224.A O no hydrogen 2.995 N/A ARG 229.A N GLU 225.A O no hydrogen 2.822 N/A SER 230.A N LEU 227.A O no hydrogen 3.080 N/A SER 230.A OG ASP 183.A OD1 no hydrogen 2.891 N/A SER 230.A OG ALA 226.A O no hydrogen 3.280 N/A GLY 231.A N VAL 228.A O no hydrogen 2.945 N/A TYR 232.A N LEU 227.A O no hydrogen 3.187 N/A TYR 232.A OH THR 186.A OG1 no hydrogen 2.807 N/A LYS 233.A N GLN 262.A O no hydrogen 2.782 N/A ARG 235.A N TRP 260.A O no hydrogen 2.725 N/A ARG 235.A NE GLN 262.A OE1 no hydrogen 3.047 N/A ARG 235.A NH2 GLU 53.A OE2 no hydrogen 2.437 N/A ASP 236.A N TRP 260.A O no hydrogen 3.121 N/A ARG 238.A N PHE 258.A O no hydrogen 2.868 N/A ARG 238.A NE ASP 236.A OD2 no hydrogen 2.936 N/A ARG 238.A NH1 GLN 47.A OE1 no hydrogen 2.675 N/A ARG 238.A NH2 GLN 47.A OE1 no hydrogen 2.924 N/A ARG 238.A NH2 ASP 236.A OD2 no hydrogen 3.534 N/A THR 239.A OG1 GLU 220.A OE2 no hydrogen 2.578 N/A TYR 240.A N VAL 256.A O no hydrogen 2.779 N/A TYR 240.A OH ASN 35.A O no hydrogen 2.745 N/A MET 242.A N LYS 254.A O no hydrogen 2.988 N/A LEU 246.A N PRO 243.A O no hydrogen 3.037 N/A GLN 247.A N ALA 244.A O no hydrogen 2.994 N/A GLN 247.A NE2 MET 242.A O no hydrogen 2.980 N/A VAL 253.A N ASP 251.A OD1 no hydrogen 3.150 N/A LYS 254.A N LEU 201.A O no hydrogen 3.183 N/A LYS 254.A NZ ASP 252.A O no hydrogen 2.686 N/A VAL 256.A N TYR 240.A O no hydrogen 2.751 N/A PHE 257.A N GLY 199.A O no hydrogen 2.866 N/A PHE 258.A N ARG 238.A O no hydrogen 2.860 N/A ALA 259.A N LEU 197.A O no hydrogen 2.665 N/A TRP 260.A N ASP 236.A O no hydrogen 2.760 N/A TRP 260.A NE1 HIS 194.A ND1 no hydrogen 3.142 N/A ALA 261.A N LEU 195.A O no hydrogen 2.716 N/A GLN 262.A N LYS 233.A O no hydrogen 2.833 N/A GLN 262.A NE2 GLY 192.A O no hydrogen 3.020 N/A LYS 263.A N GLY 193.A O no hydrogen 2.924 N/A LYS 263.A NZ THR 186.A O no hydrogen 2.889 N/A LYS 263.A NZ LEU 189.A O no hydrogen 2.942 N/A VAL 264.A N GLY 231.A O no hydrogen 3.078 N/A