Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ay6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A ND1 GLU 32.A OE1 no hydrogen 2.866 N/A TYR 4.A N GLU 32.A OE1 no hydrogen 2.866 N/A LEU 7.A N TYR 4.A O no hydrogen 2.931 N/A LYS 8.A N THR 5.A O no hydrogen 3.157 N/A LYS 8.A NZ GLU 33.A OE1 no hydrogen 3.164 N/A ASP 9.A N GLU 33.A O no hydrogen 2.801 N/A LYS 10.A N LEU 7.A O no hydrogen 3.162 N/A LYS 10.A NZ ASP 6.A O no hydrogen 2.891 N/A VAL 11.A N ASP 89.A OD1 no hydrogen 2.717 N/A VAL 12.A N LYS 35.A O no hydrogen 2.918 N/A VAL 13.A N VAL 90.A O no hydrogen 2.911 N/A ILE 14.A N VAL 37.A O no hydrogen 3.017 N/A THR 15.A N ILE 92.A O no hydrogen 3.063 N/A GLY 17.A N ASN 39.A O no hydrogen 3.071 N/A ARG 23.A N THR 19.A O no hydrogen 2.859 N/A ARG 23.A NH1 SER 18.A O no hydrogen 3.513 N/A ARG 23.A NH2 GLU 53.A OE1 no hydrogen 2.363 N/A ALA 24.A N GLY 20.A O no hydrogen 3.015 N/A MET 25.A N LEU 21.A O no hydrogen 2.833 N/A ALA 26.A N GLY 22.A O no hydrogen 2.886 N/A VAL 27.A N ARG 23.A O no hydrogen 2.913 N/A ARG 28.A N ALA 24.A O no hydrogen 2.992 N/A ARG 28.A NE GLU 32.A OE2 no hydrogen 2.892 N/A ARG 28.A NH2 GLU 32.A OE2 no hydrogen 3.051 N/A PHE 29.A N MET 25.A O no hydrogen 2.817 N/A GLY 30.A N ALA 26.A O no hydrogen 2.963 N/A GLN 31.A N VAL 27.A O no hydrogen 2.890 N/A GLU 32.A N ARG 28.A O no hydrogen 3.103 N/A GLU 33.A N GLY 30.A O no hydrogen 2.843 N/A ALA 34.A N PHE 29.A O no hydrogen 2.929 N/A LYS 35.A N LYS 10.A O no hydrogen 2.849 N/A VAL 36.A N GLN 60.A O no hydrogen 2.720 N/A VAL 37.A N VAL 12.A O no hydrogen 2.858 N/A ILE 38.A N ILE 62.A O no hydrogen 2.837 N/A ASN 39.A N ILE 14.A O no hydrogen 3.011 N/A ASN 39.A ND2 VAL 64.A O no hydrogen 3.298 N/A ASN 39.A ND2 GLY 66.A O no hydrogen 3.229 N/A TYR 40.A N VAL 64.A O no hydrogen 3.091 N/A GLU 46.A N ASN 43.A OD1 no hydrogen 3.270 N/A ALA 47.A N ASN 43.A O no hydrogen 3.130 N/A LEU 48.A N GLU 44.A O no hydrogen 2.897 N/A ASP 49.A N GLU 45.A O no hydrogen 2.900 N/A ALA 50.A N GLU 46.A O no hydrogen 2.945 N/A LYS 51.A N ALA 47.A O no hydrogen 2.941 N/A LYS 51.A NZ GLU 55.A OE2 no hydrogen 2.777 N/A LYS 52.A N LEU 48.A O no hydrogen 3.073 N/A GLU 53.A N ASP 49.A O no hydrogen 3.061 N/A VAL 54.A N ALA 50.A O no hydrogen 3.003 N/A GLU 55.A N LYS 51.A O no hydrogen 3.160 N/A GLU 56.A N LYS 52.A O no hydrogen 3.054 N/A ALA 57.A N GLU 53.A O no hydrogen 2.870 N/A GLY 58.A N GLU 55.A O no hydrogen 2.960 N/A GLY 59.A N VAL 54.A O no hydrogen 3.051 N/A GLN 60.A N ALA 34.A O no hydrogen 3.113 N/A ILE 62.A N VAL 36.A O no hydrogen 3.063 N/A VAL 64.A N ILE 38.A O no hydrogen 2.892 N/A GLN 65.A NE2 TYR 41.A O no hydrogen 2.781 N/A GLY 66.A N TYR 40.A O no hydrogen 2.908 N/A ASP 67.A N ASP 73.A OD2 no hydrogen 2.780 N/A THR 69.A N ASP 67.A OD1 no hydrogen 2.832 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.689 N/A THR 69.A OG1 ASP 67.A OD2 no hydrogen 3.297 N/A LYS 70.A N ASP 67.A O no hydrogen 2.866 N/A GLU 72.A N GLU 72.A OE1 no hydrogen 2.663 N/A VAL 74.A N LYS 70.A O no hydrogen 3.159 N/A VAL 75.A N GLU 71.A O no hydrogen 2.895 N/A ASN 76.A N GLU 72.A O no hydrogen 2.863 N/A LEU 77.A N ASP 73.A O no hydrogen 3.007 N/A VAL 78.A N VAL 74.A O no hydrogen 3.183 N/A GLN 79.A N VAL 75.A O no hydrogen 2.938 N/A THR 80.A N ASN 76.A O no hydrogen 2.687 N/A THR 80.A OG1 ASN 76.A O no hydrogen 2.652 N/A ALA 81.A N LEU 77.A O no hydrogen 3.142 N/A ILE 82.A N VAL 78.A O no hydrogen 3.083 N/A LYS 83.A N GLN 79.A O no hydrogen 2.977 N/A GLU 84.A N THR 80.A O no hydrogen 2.960 N/A PHE 85.A N ALA 81.A O no hydrogen 3.001 N/A GLY 86.A N ILE 82.A O no hydrogen 2.730 N/A THR 87.A OG1 TYR 132.A OH no hydrogen 2.670 N/A LEU 88.A N THR 87.A OG1 no hydrogen 2.713 N/A ASP 89.A N VAL 11.A O no hydrogen 2.770 N/A VAL 90.A N VAL 11.A O no hydrogen 2.880 N/A MET 91.A N ASN 141.A O no hydrogen 2.897 N/A ILE 92.A N VAL 13.A O no hydrogen 2.654 N/A ASN 93.A N ILE 143.A O no hydrogen 2.943 N/A ASN 93.A ND2 ASN 144.A OD1 no hydrogen 2.734 N/A ASN 94.A N THR 15.A OG1 no hydrogen 2.831 N/A ASN 94.A ND2 THR 15.A O no hydrogen 2.961 N/A ALA 95.A N THR 15.A OG1 no hydrogen 3.022 N/A VAL 97.A N ASN 118.A OD1 no hydrogen 2.888 N/A ASN 99.A ND2 ASN 110.A OD1 no hydrogen 3.002 N/A VAL 101.A N LEU 156.A O no hydrogen 2.829 N/A GLU 105.A N PRO 102.A O no hydrogen 2.843 N/A LEU 106.A N SER 103.A O no hydrogen 3.116 N/A ASN 110.A N SER 107.A OG no hydrogen 3.045 N/A ASN 110.A ND2 ASN 99.A OD1 no hydrogen 3.044 N/A TRP 111.A N SER 107.A O no hydrogen 2.869 N/A ASN 112.A N LEU 108.A O no hydrogen 2.737 N/A LYS 113.A N ASP 109.A O no hydrogen 2.943 N/A VAL 114.A N ASN 110.A O no hydrogen 3.224 N/A ILE 115.A N TRP 111.A O no hydrogen 2.936 N/A ASP 116.A N ASN 112.A O no hydrogen 2.820 N/A THR 117.A N LYS 113.A O no hydrogen 3.136 N/A THR 117.A OG1 LYS 113.A O no hydrogen 2.716 N/A ASN 118.A N VAL 114.A O no hydrogen 2.999 N/A ASN 118.A ND2 VAL 97.A O no hydrogen 2.961 N/A ASN 118.A ND2 SER 163.A OG no hydrogen 3.311 N/A LEU 119.A N ILE 115.A O no hydrogen 2.963 N/A THR 120.A N ILE 115.A O no hydrogen 3.066 N/A GLY 121.A N ASP 116.A O no hydrogen 2.767 N/A PHE 123.A N LEU 119.A O no hydrogen 2.916 N/A LEU 124.A N THR 120.A O no hydrogen 2.956 N/A GLY 125.A N GLY 121.A O no hydrogen 3.026 N/A SER 126.A N ALA 122.A O no hydrogen 2.884 N/A SER 126.A OG ALA 122.A O no hydrogen 2.805 N/A ARG 127.A N PHE 123.A O no hydrogen 2.726 N/A ARG 127.A NE GLU 128.A OE2 no hydrogen 3.039 N/A ARG 127.A NH1 GLU 71.A OE1 no hydrogen 3.558 N/A ARG 127.A NH2 GLU 71.A OE1 no hydrogen 2.873 N/A ARG 127.A NH2 GLU 128.A OE2 no hydrogen 3.025 N/A GLU 128.A N LEU 124.A O no hydrogen 2.934 N/A ALA 129.A N GLY 125.A O no hydrogen 3.135 N/A ILE 130.A N SER 126.A O no hydrogen 2.957 N/A LYS 131.A N ARG 127.A O no hydrogen 2.947 N/A LYS 131.A NZ GLU 128.A OE2 no hydrogen 2.702 N/A TYR 132.A N GLU 128.A O no hydrogen 3.106 N/A TYR 132.A OH THR 87.A OG1 no hydrogen 2.670 N/A PHE 133.A N ALA 129.A O no hydrogen 2.843 N/A VAL 134.A N ILE 130.A O no hydrogen 2.776 N/A GLU 135.A N LYS 131.A O no hydrogen 2.993 N/A ASN 136.A N TYR 132.A O no hydrogen 3.161 N/A ASN 136.A ND2 TYR 132.A O no hydrogen 3.017 N/A ILE 138.A N PHE 133.A O no hydrogen 2.906 N/A ASN 141.A N ASP 89.A O no hydrogen 3.023 N/A ASN 141.A ND2 LEU 233.A O no hydrogen 3.309 N/A VAL 142.A N ARG 184.A O no hydrogen 2.819 N/A ILE 143.A N MET 91.A O no hydrogen 2.786 N/A ASN 144.A N ASN 186.A O no hydrogen 2.936 N/A ASN 144.A ND2 SER 126.A OG no hydrogen 3.364 N/A ASN 144.A ND2 THR 171.A OG1 no hydrogen 2.951 N/A MET 145.A N ASN 93.A O no hydrogen 2.904 N/A SER 146.A N ILE 188.A O no hydrogen 2.838 N/A SER 146.A OG GLU 150.A OE1 no hydrogen 2.898 N/A VAL 148.A N PRO 190.A O no hydrogen 3.278 N/A HIS 149.A N SER 147.A OG no hydrogen 2.907 N/A HIS 149.A ND1 ILE 152.A O no hydrogen 2.690 N/A GLU 150.A N SER 147.A O no hydrogen 2.981 N/A MET 151.A N VAL 148.A O no hydrogen 2.919 N/A ILE 152.A N VAL 148.A O no hydrogen 2.627 N/A PHE 157.A N TRP 154.A O no hydrogen 2.788 N/A HIS 159.A NE2 ASN 99.A OD1 no hydrogen 3.298 N/A TYR 160.A N HIS 159.A ND1 no hydrogen 3.003 N/A ALA 161.A N PHE 157.A O no hydrogen 2.855 N/A ALA 162.A N VAL 158.A O no hydrogen 2.875 N/A SER 163.A N HIS 159.A O no hydrogen 2.848 N/A SER 163.A OG TYR 160.A O no hydrogen 2.617 N/A LYS 164.A N TYR 160.A O no hydrogen 3.050 N/A LYS 164.A NZ MET 145.A O no hydrogen 2.805 N/A LYS 164.A NZ SER 146.A O no hydrogen 3.459 N/A GLY 165.A N ALA 161.A O no hydrogen 2.822 N/A GLY 166.A N ALA 162.A O no hydrogen 2.957 N/A MET 167.A N SER 163.A O no hydrogen 2.973 N/A LYS 168.A N LYS 164.A O no hydrogen 2.964 N/A MET 170.A N GLY 166.A O no hydrogen 2.834 N/A THR 171.A N MET 167.A O no hydrogen 2.788 N/A THR 171.A OG1 MET 167.A O no hydrogen 3.247 N/A THR 171.A OG1 ASN 187.A OD1 no hydrogen 2.599 N/A GLU 172.A N LYS 168.A O no hydrogen 2.948 N/A THR 173.A N LEU 169.A O no hydrogen 2.895 N/A THR 173.A OG1 LEU 169.A O no hydrogen 2.538 N/A LEU 174.A N MET 170.A O no hydrogen 2.924 N/A ALA 175.A N THR 171.A O no hydrogen 2.831 N/A LEU 176.A N GLU 172.A O no hydrogen 2.969 N/A GLU 177.A N THR 173.A O no hydrogen 2.805 N/A TYR 178.A N LEU 174.A O no hydrogen 2.974 N/A LYS 181.A N TYR 178.A O no hydrogen 3.008 N/A GLY 182.A N ALA 179.A O no hydrogen 2.905 N/A ILE 183.A N TYR 178.A O no hydrogen 3.387 N/A ARG 184.A N GLY 140.A O no hydrogen 3.209 N/A ARG 184.A NH1 LEU 233.A O no hydrogen 3.004 N/A ARG 184.A NH2 LEU 233.A O no hydrogen 3.168 N/A ARG 184.A NH2 VAL 241.A O no hydrogen 2.890 N/A VAL 185.A N THR 242.A OG1 no hydrogen 3.191 N/A ASN 186.A N VAL 142.A O no hydrogen 3.017 N/A ASN 186.A ND2 VAL 241.A O no hydrogen 3.157 N/A ASN 187.A N ILE 244.A O no hydrogen 2.795 N/A ASN 187.A ND2 GLU 150.A OE1 no hydrogen 2.901 N/A ILE 188.A N ASN 144.A O no hydrogen 3.159 N/A GLY 189.A N LEU 246.A O no hydrogen 2.983 N/A GLY 191.A N ALA 248.A O no hydrogen 3.122 N/A ASN 194.A N GLY 221.A O no hydrogen 2.922 N/A ILE 197.A N THR 195.A OG1 no hydrogen 3.340 N/A ASN 198.A N THR 195.A O no hydrogen 3.161 N/A ASN 198.A ND2 MET 193.A O no hydrogen 2.908 N/A ALA 199.A N PRO 196.A O no hydrogen 3.335 N/A LYS 201.A NZ ASN 198.A OD1 no hydrogen 2.845 N/A PHE 202.A N ASN 198.A O no hydrogen 2.698 N/A ALA 203.A N ALA 199.A O no hydrogen 2.891 N/A ALA 203.A N GLU 200.A O no hydrogen 3.279 N/A VAL 206.A N ASP 204.A OD1 no hydrogen 3.019 N/A GLN 207.A N ASP 204.A OD1 no hydrogen 3.435 N/A GLN 207.A NE2 ASP 204.A OD2 no hydrogen 3.088 N/A ARG 208.A N ASP 204.A O no hydrogen 2.972 N/A ALA 209.A N PRO 205.A O no hydrogen 3.196 N/A ASP 210.A N VAL 206.A O no hydrogen 2.948 N/A VAL 211.A N GLN 207.A O no hydrogen 2.851 N/A GLU 212.A N ARG 208.A O no hydrogen 2.999 N/A SER 213.A N ALA 209.A O no hydrogen 2.871 N/A SER 213.A OG ASP 210.A O no hydrogen 2.708 N/A MET 214.A N VAL 211.A O no hydrogen 2.846 N/A ILE 215.A N GLU 212.A O no hydrogen 3.205 N/A MET 217.A N GLY 250.A O no hydrogen 2.871 N/A GLY 218.A N ILE 215.A O no hydrogen 2.858 N/A TYR 219.A OH GLU 225.A OE2 no hydrogen 2.647 N/A GLY 221.A N ALA 192.A O no hydrogen 2.887 N/A LYS 222.A N GLU 225.A OE1 no hydrogen 2.789 N/A GLU 225.A N LYS 222.A O no hydrogen 2.786 N/A VAL 226.A N PRO 223.A O no hydrogen 3.000 N/A ALA 227.A N PRO 223.A O no hydrogen 3.072 N/A ALA 228.A N GLU 224.A O no hydrogen 3.016 N/A ALA 230.A N VAL 226.A O no hydrogen 3.034 N/A ALA 231.A N ALA 227.A O no hydrogen 2.913 N/A PHE 232.A N ALA 228.A O no hydrogen 3.061 N/A LEU 233.A N VAL 229.A O no hydrogen 2.861 N/A ALA 234.A N ALA 230.A O no hydrogen 2.941 N/A SER 235.A N ALA 231.A O no hydrogen 3.177 N/A SER 235.A N PHE 232.A O no hydrogen 3.285 N/A SER 235.A OG PHE 232.A O no hydrogen 2.887 N/A SER 236.A N ASP 6.A OD2 no hydrogen 2.807 N/A GLN 237.A N SER 235.A OG no hydrogen 3.226 N/A ALA 238.A N SER 235.A O no hydrogen 3.180 N/A SER 239.A N SER 236.A O no hydrogen 3.066 N/A SER 239.A OG SER 236.A O no hydrogen 3.373 N/A VAL 241.A N ALA 238.A O no hydrogen 2.920 N/A GLY 243.A N VAL 185.A O no hydrogen 2.733 N/A ILE 244.A N ASN 186.A OD1 no hydrogen 3.041 N/A THR 245.A OG1 GLU 150.A OE1 no hydrogen 3.227 N/A THR 245.A OG1 GLU 150.A OE2 no hydrogen 2.573 N/A LEU 246.A N ASN 187.A O no hydrogen 2.965 N/A ALA 248.A N GLY 189.A O no hydrogen 3.037 N/A GLY 251.A N ASP 249.A OD2 no hydrogen 2.980 N/A MET 252.A N ASP 249.A O no hydrogen 3.338 N/A THR 253.A N ASP 249.A OD1 no hydrogen 2.875 N/A THR 253.A OG1 ASP 249.A OD1 no hydrogen 2.892 N/A LYS 254.A N GLY 251.A O no hydrogen 2.891 N/A TYR 255.A N MET 252.A O no hydrogen 3.302 N/A PHE 258.A N TYR 255.A O no hydrogen 2.979 N/A GLN 259.A N PRO 256.A O no hydrogen 3.407 N/A GLN 259.A NE2 PRO 256.A O no hydrogen 3.002 N/A