Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3toa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ TYR 2.A O no hydrogen 3.425 N/A LYS 1.A NZ ASP 4.A OD1 no hydrogen 3.434 N/A LYS 1.A NZ GLY 26.A O no hydrogen 3.018 N/A LYS 1.A NZ GLN 28.A O no hydrogen 2.566 N/A LYS 5.A NZ GLU 12.A OE1 no hydrogen 3.472 N/A ILE 6.A N ILE 13.A O no hydrogen 2.944 N/A HIS 7.A N LEU 31.A O no hydrogen 2.719 N/A HIS 7.A ND1 GLU 12.A OE2 no hydrogen 2.763 N/A ILE 8.A N TYR 11.A O no hydrogen 2.928 N/A TYR 11.A N ILE 8.A O no hydrogen 3.007 N/A ILE 13.A N ILE 6.A O no hydrogen 2.929 N/A ALA 15.A N ASP 4.A O no hydrogen 2.857 N/A TRP 16.A N LEU 93.A O no hydrogen 2.853 N/A TYR 17.A N LEU 93.A O no hydrogen 2.805 N/A SER 19.A OG LEU 89.A O no hydrogen 2.577 N/A PHE 21.A N SER 19.A O no hydrogen 2.917 N/A TYR 25.A N PRO 22.A O no hydrogen 2.644 N/A GLY 26.A N PRO 22.A O no hydrogen 3.436 N/A LYS 27.A N GLU 23.A O no hydrogen 3.127 N/A GLN 28.A NE2 ASP 24.A O no hydrogen 2.718 N/A LYS 30.A NZ GLU 12.A OE2 no hydrogen 2.828 N/A LEU 31.A N LYS 5.A O no hydrogen 3.039 N/A TRP 32.A N MET 41.A O no hydrogen 2.935 N/A LEU 33.A N HIS 7.A O no hydrogen 2.751 N/A CYS 34.A N LYS 39.A O no hydrogen 3.042 N/A CYS 34.A SG HIS 50.A NE2 no hydrogen 3.541 N/A CYS 37.A SG HIS 50.A NE2 no hydrogen 3.679 N/A LEU 38.A N CYS 34.A O no hydrogen 2.880 N/A MET 41.A N TRP 32.A O no hydrogen 2.696 N/A LYS 42.A NZ ASP 24.A OD2 no hydrogen 2.822 N/A SER 46.A OG TYR 43.A O no hydrogen 3.224 N/A TYR 47.A N TYR 43.A O no hydrogen 3.034 N/A TYR 47.A OH GLY 9.A O no hydrogen 3.410 N/A ARG 48.A N GLU 44.A O no hydrogen 2.873 N/A ARG 48.A NE GLU 44.A OE2 no hydrogen 3.386 N/A ARG 48.A NH2 GLU 44.A OE2 no hydrogen 3.388 N/A PHE 49.A N LYS 45.A O no hydrogen 3.040 N/A HIS 50.A N SER 46.A O no hydrogen 3.107 N/A LEU 51.A N TYR 47.A O no hydrogen 3.051 N/A GLY 52.A N PHE 49.A O no hydrogen 3.292 N/A GLN 53.A N HIS 50.A O no hydrogen 2.888 N/A CYS 54.A N HIS 50.A O no hydrogen 2.708 N/A CYS 54.A SG HIS 50.A NE2 no hydrogen 3.507 N/A GLN 55.A NE2 GLN 53.A O no hydrogen 2.614 N/A ARG 57.A NH1 CYS 54.A O no hydrogen 3.375 N/A ARG 57.A NH1 TRP 56.A O no hydrogen 2.899 N/A LYS 62.A N GLU 74.A O no hydrogen 2.951 N/A ILE 64.A N VAL 72.A O no hydrogen 2.894 N/A ARG 66.A NH1 GLU 63.A OE1 no hydrogen 2.378 N/A LYS 67.A N ILE 70.A O no hydrogen 3.065 N/A ASN 69.A ND2 VAL 115.A O no hydrogen 3.463 N/A ILE 70.A N LYS 67.A O no hydrogen 2.958 N/A SER 71.A N THR 113.A O no hydrogen 3.015 N/A SER 71.A OG GLU 63.A OE2 no hydrogen 2.749 N/A VAL 72.A N TYR 65.A O no hydrogen 3.021 N/A TYR 73.A N ILE 111.A O no hydrogen 3.007 N/A TYR 73.A OH GLN 58.A OE1 no hydrogen 2.498 N/A GLU 74.A N LYS 62.A O no hydrogen 2.724 N/A VAL 75.A N PHE 109.A O no hydrogen 2.884 N/A GLY 77.A N PHE 107.A O no hydrogen 3.013 N/A LYS 78.A N ASP 76.A OD1 no hydrogen 2.895 N/A HIS 80.A N ASP 76.A O no hydrogen 3.049 N/A CYS 84.A N HIS 80.A O no hydrogen 3.325 N/A CYS 84.A SG HIS 80.A O no hydrogen 3.435 N/A GLN 85.A N LYS 81.A O no hydrogen 3.014 N/A GLN 85.A NE2 PHE 102.A O no hydrogen 3.061 N/A ASN 86.A N ILE 82.A O no hydrogen 2.824 N/A LEU 87.A N TYR 83.A O no hydrogen 2.863 N/A CYS 88.A N CYS 84.A O no hydrogen 3.129 N/A CYS 88.A SG CYS 84.A O no hydrogen 3.165 N/A LEU 89.A N GLN 85.A O no hydrogen 3.164 N/A LEU 90.A N ASN 86.A O no hydrogen 3.016 N/A ALA 91.A N LEU 87.A O no hydrogen 2.910 N/A LYS 92.A N CYS 88.A O no hydrogen 2.934 N/A LYS 92.A NZ PHE 18.A O no hydrogen 2.930 N/A LYS 92.A NZ LYS 92.A O no hydrogen 3.037 N/A LYS 92.A NZ LEU 95.A O no hydrogen 2.765 N/A LEU 93.A N LEU 90.A O no hydrogen 3.211 N/A PHE 94.A N ALA 91.A O no hydrogen 2.896 N/A LEU 95.A N ALA 91.A O no hydrogen 2.951 N/A LYS 98.A NZ.B GLU 174.A OE1 no hydrogen 3.523 N/A LYS 98.A NZ.B GLU 174.A OE2 no hydrogen 3.216 N/A LYS 98.A O.B TYR 101.A OH no hydrogen 3.515 N/A THR 99.A N.A LYS 98.A O.B no hydrogen 1.542 N/A THR 99.A OG1.A LYS 98.A O.B no hydrogen 3.252 N/A THR 99.A OG1.B TYR 101.A OH no hydrogen 2.493 N/A TYR 101.A OH THR 99.A OG1.B no hydrogen 2.493 N/A PHE 107.A N VAL 104.A O no hydrogen 2.989 N/A VAL 108.A N LYS 128.A O no hydrogen 3.008 N/A PHE 109.A N VAL 75.A O no hydrogen 2.771 N/A TYR 110.A N PHE 126.A O no hydrogen 2.815 N/A TYR 110.A OH GLU 74.A OE2 no hydrogen 2.584 N/A ILE 111.A N TYR 73.A O no hydrogen 2.897 N/A LEU 112.A N GLY 124.A O no hydrogen 3.040 N/A THR 113.A N SER 71.A O no hydrogen 2.887 N/A THR 113.A OG1 SER 71.A O no hydrogen 3.299 N/A GLU 114.A N HIS 121.A O no hydrogen 2.974 N/A VAL 115.A N ASN 69.A O no hydrogen 2.791 N/A ASP 116.A N GLY 119.A O no hydrogen 3.049 N/A GLN 118.A N ASP 116.A OD1 no hydrogen 2.758 N/A GLY 119.A N ASP 116.A OD1 no hydrogen 3.051 N/A ALA 120.A N ARG 57.A O no hydrogen 2.915 N/A HIS 121.A N GLU 114.A O no hydrogen 3.201 N/A HIS 121.A ND1 GLU 35.A OE1 no hydrogen 2.423 N/A HIS 121.A NE2 ASP 116.A OD1 no hydrogen 2.948 N/A VAL 123.A N LEU 112.A O no hydrogen 2.785 N/A TYR 125.A N LEU 142.A O no hydrogen 2.949 N/A PHE 126.A N TYR 110.A O no hydrogen 3.007 N/A SER 127.A N CYS 140.A O no hydrogen 2.862 N/A SER 127.A OG CYS 140.A O no hydrogen 3.458 N/A LYS 128.A N VAL 108.A O no hydrogen 3.043 N/A LYS 128.A NZ GLU 167.A OE1 no hydrogen 3.203 N/A LYS 130.A N PRO 106.A O no hydrogen 2.967 N/A LYS 130.A NZ ASP 76.A OD1 no hydrogen 2.571 N/A LYS 130.A NZ GLU 105.A O no hydrogen 2.684 N/A SER 132.A OG GLU 129.A OE2 no hydrogen 3.286 N/A GLY 135.A N SER 132.A O no hydrogen 3.476 N/A ASN 136.A N SER 132.A OG no hydrogen 2.832 N/A ASN 137.A N SER 172.A O no hydrogen 3.217 N/A ASN 137.A ND2 SER 164.A OG no hydrogen 3.008 N/A ALA 139.A N SER 127.A O no hydrogen 2.765 N/A CYS 140.A SG ALA 139.A O no hydrogen 3.514 N/A LEU 142.A N TYR 125.A O no hydrogen 2.961 N/A LEU 144.A N VAL 123.A O no hydrogen 2.941 N/A TYR 147.A N LEU 144.A O no hydrogen 2.643 N/A GLN 148.A N PRO 145.A O no hydrogen 3.001 N/A GLN 148.A NE2 THR 143.A O no hydrogen 2.889 N/A PHE 155.A N GLY 151.A O no hydrogen 2.832 N/A LEU 156.A N TYR 152.A O no hydrogen 2.953 N/A ILE 157.A N GLY 153.A O no hydrogen 3.144 N/A ALA 158.A N LYS 154.A O no hydrogen 2.976 N/A PHE 159.A N PHE 155.A O no hydrogen 2.889 N/A SER 160.A N LEU 156.A O no hydrogen 2.920 N/A SER 160.A OG ILE 157.A O no hydrogen 2.717 N/A TYR 161.A N ILE 157.A O no hydrogen 3.181 N/A TYR 161.A N ALA 158.A O no hydrogen 3.191 N/A GLU 162.A N ALA 158.A O no hydrogen 3.038 N/A LEU 163.A N PHE 159.A O no hydrogen 3.153 N/A SER 164.A N SER 160.A O no hydrogen 3.399 N/A SER 164.A OG SER 160.A O no hydrogen 3.398 N/A LYS 165.A N TYR 161.A O no hydrogen 2.831 N/A LYS 165.A NZ GLU 162.A OE2 no hydrogen 3.118 N/A LEU 166.A N GLU 162.A O no hydrogen 3.114 N/A GLU 167.A N SER 164.A O no hydrogen 3.055 N/A SER 168.A N LYS 165.A O no hydrogen 2.923 N/A THR 169.A N SER 164.A O no hydrogen 3.120 N/A THR 169.A OG1 VAL 170.A O no hydrogen 3.381 N/A GLY 171.A N SER 212.A O no hydrogen 2.837 N/A SER 172.A N GLY 135.A O no hydrogen 3.397 N/A SER 172.A OG ASP 217.A OD2 no hydrogen 2.782 N/A GLU 174.A N VAL 138.A O no hydrogen 2.924 N/A LYS 175.A NZ SER 172.A OG no hydrogen 2.923 N/A LYS 175.A NZ PRO 173.A O no hydrogen 2.772 N/A GLY 181.A N SER 178.A OG no hydrogen 2.978 N/A LYS 182.A N SER 178.A O no hydrogen 2.836 N/A LEU 183.A N ASP 179.A O no hydrogen 3.155 N/A SER 184.A N LEU 180.A O no hydrogen 3.054 N/A SER 184.A OG LEU 180.A O no hydrogen 2.877 N/A TYR 185.A N GLY 181.A O no hydrogen 2.916 N/A ARG 186.A N LYS 182.A O no hydrogen 2.920 N/A ARG 186.A NH1 SER 220.A OG no hydrogen 2.959 N/A ARG 186.A NH2 SER 220.A OG no hydrogen 3.076 N/A SER 187.A N LEU 183.A O no hydrogen 2.959 N/A TYR 188.A N SER 184.A O no hydrogen 2.837 N/A TRP 189.A N TYR 185.A O no hydrogen 2.755 N/A TRP 189.A NE1 TYR 161.A OH no hydrogen 2.846 N/A SER 190.A N ARG 186.A O no hydrogen 3.024 N/A SER 190.A OG ARG 186.A O no hydrogen 3.035 N/A TRP 191.A N SER 187.A O no hydrogen 3.011 N/A VAL 192.A N TYR 188.A O no hydrogen 3.028 N/A LEU 193.A N TRP 189.A O no hydrogen 3.043 N/A LEU 194.A N SER 190.A O no hydrogen 2.884 N/A GLU 195.A N TRP 191.A O no hydrogen 2.980 N/A ILE 196.A N VAL 192.A O no hydrogen 3.354 N/A LEU 197.A N LEU 193.A O no hydrogen 2.980 N/A ARG 198.A N LEU 194.A O no hydrogen 3.106 N/A ARG 198.A NE GLU 245.A OE1 no hydrogen 3.150 N/A ARG 198.A NE GLU 245.A OE2 no hydrogen 3.070 N/A ARG 198.A NH2 GLU 245.A OE1 no hydrogen 2.867 N/A SER 203.A N ASP 206.A OD2 no hydrogen 3.058 N/A ASP 206.A N SER 203.A OG no hydrogen 3.043 N/A LEU 207.A N SER 203.A O no hydrogen 2.982 N/A SER 208.A N ILE 204.A O no hydrogen 2.868 N/A SER 208.A OG ILE 213.A O no hydrogen 2.768 N/A GLN 209.A N LYS 205.A O no hydrogen 3.055 N/A MET 210.A N ASP 206.A O no hydrogen 3.125 N/A THR 211.A N LEU 207.A O no hydrogen 3.224 N/A THR 211.A OG1 LEU 207.A O no hydrogen 2.810 N/A SER 212.A N SER 208.A O no hydrogen 2.965 N/A SER 212.A OG THR 169.A O no hydrogen 2.798 N/A ILE 213.A N THR 211.A OG1 no hydrogen 3.290 N/A ASP 217.A N THR 214.A OG1 no hydrogen 3.166 N/A ILE 218.A N THR 214.A O no hydrogen 2.986 N/A ILE 219.A N GLN 215.A O no hydrogen 2.801 N/A SER 220.A N ASN 216.A O no hydrogen 2.936 N/A THR 221.A N ASP 217.A O no hydrogen 3.151 N/A THR 221.A OG1 ASP 217.A O no hydrogen 2.704 N/A LEU 222.A N ILE 218.A O no hydrogen 2.868 N/A GLN 223.A N ILE 219.A O no hydrogen 2.881 N/A SER 224.A N SER 220.A O no hydrogen 3.402 N/A SER 224.A OG THR 221.A O no hydrogen 2.796 N/A LEU 225.A N THR 221.A O no hydrogen 3.130 N/A ASN 226.A N GLN 223.A O no hydrogen 2.882 N/A MET 227.A N LEU 222.A O no hydrogen 2.785 N/A LYS 229.A N VAL 236.A O no hydrogen 2.637 N/A TRP 231.A N GLN 234.A O no hydrogen 2.812 N/A GLN 234.A N TRP 231.A O no hydrogen 2.967 N/A VAL 236.A N LYS 229.A O no hydrogen 2.758 N/A CYS 238.A N MET 227.A O no hydrogen 2.935 N/A LYS 242.A N THR 240.A OG1 no hydrogen 3.376 N/A LEU 243.A N THR 240.A O no hydrogen 2.539 N/A VAL 244.A N THR 240.A O no hydrogen 3.313 N/A GLU 245.A N PRO 241.A O no hydrogen 3.509 N/A HIS 247.A N LEU 243.A O no hydrogen 3.053 N/A HIS 247.A ND1 LEU 243.A O no hydrogen 2.747 N/A LEU 248.A N VAL 244.A O no hydrogen 2.876 N/A LYS 249.A N GLU 245.A O no hydrogen 2.961 N/A SER 250.A N HIS 247.A O no hydrogen 3.151 N/A SER 250.A OG GLU 246.A O no hydrogen 3.016 N/A ASP 257.A N TYR 65.A OH no hydrogen 3.182 N/A VAL 259.A N ASP 257.A OD1 no hydrogen 2.921 N/A CYS 260.A N ASP 257.A O no hydrogen 2.763 N/A CYS 260.A SG ASP 257.A OD2 no hydrogen 3.787 N/A LEU 261.A N SER 258.A O no hydrogen 3.415 N/A LYS 262.A N ILE 64.A O no hydrogen 2.848 N/A TRP 263.A NE1 GLU 74.A OE2 no hydrogen 2.945 N/A