Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8atn_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N LEU 78.A O no hydrogen 3.039 N/A HIS 2.A N LEU 78.A O no hydrogen 3.053 N/A GLU 8.A N SER 5.A OG no hydrogen 3.305 N/A LEU 9.A N SER 5.A O no hydrogen 3.288 N/A LYS 10.A N PHE 6.A O no hydrogen 2.696 N/A LYS 10.A NZ ASN 15.A OD1 no hydrogen 3.032 N/A ASN 11.A N TYR 7.A O no hydrogen 2.689 N/A VAL 12.A N GLU 8.A O no hydrogen 2.883 N/A THR 13.A OG1 LYS 38.A O no hydrogen 3.401 N/A ASN 15.A N LYS 10.A O no hydrogen 2.722 N/A ASP 17.A N THR 13.A O no hydrogen 3.190 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 2.888 N/A ARG 19.A NH1 ASP 17.A OD2 no hydrogen 2.748 N/A ILE 21.A N LYS 27.A O no hydrogen 3.044 N/A GLY 24.A N ILE 21.A O no hydrogen 2.691 N/A GLY 25.A N PRO 20.A O no hydrogen 2.978 N/A ASN 26.A N ARG 19.A O no hydrogen 3.145 N/A LYS 27.A N ARG 19.A O no hydrogen 3.044 N/A LYS 27.A NZ GLU 30.A OE1 no hydrogen 3.052 N/A MET 28.A N VAL 36.A O no hydrogen 2.846 N/A GLY 29.A N VAL 36.A O no hydrogen 3.400 N/A GLY 31.A N GLY 34.A O no hydrogen 2.929 N/A VAL 35.A N LYS 50.A O no hydrogen 3.271 N/A VAL 36.A N GLY 29.A O no hydrogen 2.837 N/A TYR 37.A N VAL 48.A O no hydrogen 2.873 N/A LYS 38.A N ASN 26.A O no hydrogen 2.801 N/A LYS 38.A NZ TYR 92.A OH no hydrogen 3.476 N/A GLY 39.A N VAL 46.A O no hydrogen 2.916 N/A THR 44.A N VAL 41.A O no hydrogen 2.713 N/A THR 44.A OG1 VAL 41.A O no hydrogen 2.802 N/A VAL 46.A N GLY 39.A O no hydrogen 2.999 N/A ALA 47.A N TYR 90.A O no hydrogen 3.061 N/A VAL 48.A N TYR 37.A O no hydrogen 2.783 N/A LYS 49.A N LEU 88.A O no hydrogen 2.795 N/A LYS 50.A N VAL 35.A O no hydrogen 3.106 N/A LEU 51.A N LEU 86.A O no hydrogen 2.797 N/A ALA 52.A N PHE 33.A O no hydrogen 2.910 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 3.006 N/A LYS 56.A N GLU 53.A O no hydrogen 3.051 N/A LYS 56.A NZ LYS 56.A O no hydrogen 2.696 N/A LYS 56.A NZ ASP 60.A OD2 no hydrogen 3.315 N/A GLN 57.A N GLU 54.A O no hydrogen 2.994 N/A GLN 58.A N GLU 54.A O no hydrogen 3.412 N/A PHE 59.A N LEU 55.A O no hydrogen 3.083 N/A ASP 60.A N LYS 56.A O no hydrogen 2.941 N/A GLN 61.A N GLN 57.A O no hydrogen 2.676 N/A GLU 62.A N GLN 58.A O no hydrogen 3.236 N/A ILE 63.A N PHE 59.A O no hydrogen 3.209 N/A LYS 64.A N ASP 60.A O no hydrogen 3.157 N/A VAL 65.A N GLN 61.A O no hydrogen 3.181 N/A ALA 67.A N ILE 63.A O no hydrogen 2.812 N/A ALA 67.A N LYS 64.A O no hydrogen 3.253 N/A LYS 68.A N LYS 64.A O no hydrogen 3.178 N/A LYS 68.A N VAL 65.A O no hydrogen 3.099 N/A LYS 68.A NZ HIS 135.A NE2 no hydrogen 3.406 N/A CYS 69.A N VAL 65.A O no hydrogen 2.808 N/A ASN 73.A N HIS 71.A ND1 no hydrogen 2.897 N/A LEU 74.A N HIS 71.A O no hydrogen 3.109 N/A VAL 75.A N ILE 155.A O no hydrogen 3.029 N/A LEU 78.A N VAL 89.A O no hydrogen 2.759 N/A GLY 79.A N VAL 89.A O no hydrogen 3.433 N/A SER 81.A N CYS 87.A O no hydrogen 2.871 N/A SER 81.A OG PHE 4.A O no hydrogen 3.216 N/A CYS 87.A N SER 81.A O no hydrogen 3.043 N/A LEU 88.A N LYS 49.A O no hydrogen 2.828 N/A VAL 89.A N GLY 79.A O no hydrogen 2.899 N/A TYR 90.A N ALA 47.A O no hydrogen 2.732 N/A VAL 91.A N GLU 76.A O no hydrogen 3.237 N/A ASN 95.A N LEU 147.A O no hydrogen 2.964 N/A GLY 96.A N MET 93.A O no hydrogen 2.996 N/A LEU 98.A N ILE 145.A O no hydrogen 2.747 N/A LEU 99.A N SER 142.A O no hydrogen 3.328 N/A ASP 100.A N SER 97.A OG no hydrogen 2.932 N/A ARG 101.A N SER 97.A O no hydrogen 3.084 N/A ARG 101.A NE ASN 95.A O no hydrogen 3.138 N/A ARG 101.A NH1 LEU 105.A O no hydrogen 2.870 N/A ARG 101.A NH1 THR 108.A OG1 no hydrogen 2.788 N/A LEU 102.A N LEU 98.A O no hydrogen 2.662 N/A SER 103.A N LEU 99.A O no hydrogen 2.875 N/A SER 103.A OG LEU 99.A O no hydrogen 3.331 N/A SER 103.A OG ASP 100.A O no hydrogen 3.138 N/A CYS 104.A N ARG 101.A O no hydrogen 2.960 N/A CYS 104.A SG ARG 101.A O no hydrogen 3.679 N/A CYS 104.A SG LEU 102.A O no hydrogen 3.891 N/A LEU 105.A N ASP 100.A O no hydrogen 2.708 N/A GLY 107.A N CYS 104.A O no hydrogen 3.222 N/A TRP 113.A N ASP 241.A OD1 no hydrogen 2.516 N/A TRP 113.A NE1 SER 246.A OG no hydrogen 3.004 N/A HIS 114.A N ASP 241.A OD2 no hydrogen 2.807 N/A MET 115.A N SER 112.A OG no hydrogen 3.131 N/A ARG 116.A N SER 112.A O no hydrogen 2.834 N/A ARG 116.A NE LEU 111.A O no hydrogen 2.735 N/A ARG 116.A NH1 ILE 201.A O no hydrogen 2.972 N/A ARG 116.A NH1 ASP 236.A OD2 no hydrogen 3.102 N/A ARG 116.A NH2 LEU 111.A O no hydrogen 2.751 N/A ARG 116.A NH2 ASP 236.A OD2 no hydrogen 3.521 N/A CYS 117.A N TRP 113.A O no hydrogen 2.640 N/A CYS 117.A SG TRP 113.A O no hydrogen 3.468 N/A LYS 118.A N HIS 114.A O no hydrogen 3.147 N/A LYS 118.A N MET 115.A O no hydrogen 3.182 N/A LYS 118.A NZ ALA 150.A O no hydrogen 3.518 N/A ILE 119.A N MET 115.A O no hydrogen 2.972 N/A ALA 120.A N ARG 116.A O no hydrogen 3.200 N/A GLN 121.A N CYS 117.A O no hydrogen 3.425 N/A GLN 121.A NE2 LEU 275.A O no hydrogen 3.097 N/A GLY 122.A N LYS 118.A O no hydrogen 2.901 N/A ALA 123.A N ILE 119.A O no hydrogen 3.072 N/A ALA 124.A N ALA 120.A O no hydrogen 2.968 N/A ASN 125.A N GLN 121.A O no hydrogen 2.719 N/A GLY 126.A N GLY 122.A O no hydrogen 2.971 N/A ILE 127.A N ALA 123.A O no hydrogen 2.938 N/A ASN 128.A N ALA 124.A O no hydrogen 2.880 N/A PHE 129.A N ASN 125.A O no hydrogen 3.049 N/A LEU 130.A N GLY 126.A O no hydrogen 3.025 N/A HIS 131.A N ILE 127.A O no hydrogen 2.633 N/A HIS 131.A NE2 ASP 190.A OD2 no hydrogen 2.998 N/A GLU 132.A N ASN 128.A O no hydrogen 2.590 N/A ASN 133.A N PHE 129.A O no hydrogen 3.068 N/A ASN 133.A N LEU 130.A O no hydrogen 3.128 N/A ASN 133.A ND2 PHE 129.A O no hydrogen 2.932 N/A HIS 134.A N HIS 131.A O no hydrogen 3.181 N/A ILE 136.A N ARG 162.A O no hydrogen 2.839 N/A HIS 137.A N ASP 190.A OD2 no hydrogen 2.761 N/A ARG 138.A N ASP 190.A OD1 no hydrogen 2.747 N/A ARG 138.A NH1 LEU 160.A O no hydrogen 3.064 N/A SER 142.A OG GLU 200.A OE2 no hydrogen 3.206 N/A ASN 144.A N LYS 141.A O no hydrogen 2.804 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.977 N/A ASN 144.A ND2 ASP 157.A OD2 no hydrogen 3.567 N/A ILE 145.A N SER 142.A O no hydrogen 3.409 N/A LEU 146.A N LYS 154.A O no hydrogen 2.831 N/A LEU 147.A N GLY 96.A O no hydrogen 2.777 N/A ASP 148.A N THR 152.A O no hydrogen 3.248 N/A ALA 150.A N ASP 148.A OD1 no hydrogen 2.949 N/A PHE 151.A N ASP 148.A O no hydrogen 2.914 N/A THR 152.A N ASP 148.A OD1 no hydrogen 2.670 N/A LYS 154.A N LEU 146.A O no hydrogen 2.793 N/A LYS 154.A NZ GLU 72.A O no hydrogen 2.777 N/A ILE 155.A N ASN 73.A O no hydrogen 2.708 N/A SER 156.A N ASN 144.A O no hydrogen 2.842 N/A SER 156.A OG ASN 144.A O no hydrogen 2.855 N/A ALA 161.A N PHE 158.A O no hydrogen 2.954 N/A ARG 162.A N ILE 136.A O no hydrogen 2.909 N/A SER 164.A N HIS 134.A O no hydrogen 2.799 N/A THR 172.A OG1 ASP 139.A OD1 no hydrogen 2.758 N/A TYR 175.A N THR 172.A O no hydrogen 2.658 N/A TYR 175.A OH GLU 200.A OE1 no hydrogen 2.498 N/A TYR 175.A OH GLU 200.A OE2 no hydrogen 3.065 N/A MET 176.A N THR 173.A O no hydrogen 3.165 N/A LEU 181.A N ALA 177.A O no hydrogen 2.728 N/A ARG 182.A N GLU 179.A O no hydrogen 2.996 N/A GLY 183.A N GLU 179.A O no hydrogen 3.027 N/A GLY 183.A N ALA 180.A O no hydrogen 3.235 N/A GLU 184.A N GLU 179.A O no hydrogen 2.832 N/A ILE 185.A N VAL 166.A O no hydrogen 2.805 N/A THR 186.A OG1 SER 189.A OG no hydrogen 3.046 N/A SER 189.A N THR 186.A O no hydrogen 2.789 N/A SER 189.A OG GLU 179.A OE2 no hydrogen 3.053 N/A SER 189.A OG THR 186.A O no hydrogen 2.884 N/A SER 189.A OG THR 186.A OG1 no hydrogen 3.046 N/A TYR 192.A N SER 189.A O no hydrogen 2.912 N/A TYR 192.A OH GLU 260.A OE2 no hydrogen 2.722 N/A SER 193.A N SER 189.A O no hydrogen 3.287 N/A SER 193.A OG TYR 175.A O no hydrogen 3.094 N/A SER 193.A OG SER 189.A O no hydrogen 3.533 N/A PHE 194.A N ASP 190.A O no hydrogen 3.121 N/A GLY 195.A N ILE 191.A O no hydrogen 3.077 N/A VAL 196.A N TYR 192.A O no hydrogen 3.037 N/A VAL 197.A N SER 193.A O no hydrogen 3.048 N/A LEU 198.A N PHE 194.A O no hydrogen 2.686 N/A LEU 199.A N GLY 195.A O no hydrogen 2.932 N/A GLU 200.A N VAL 196.A O no hydrogen 2.863 N/A ILE 201.A N VAL 197.A O no hydrogen 2.723 N/A ILE 202.A N LEU 198.A O no hydrogen 3.026 N/A ILE 202.A N LEU 199.A O no hydrogen 3.186 N/A THR 203.A N LEU 199.A O no hydrogen 2.991 N/A THR 203.A OG1 LEU 199.A O no hydrogen 2.755 N/A GLY 204.A N GLU 200.A O no hydrogen 2.660 N/A LEU 205.A N THR 203.A OG1 no hydrogen 2.931 N/A ASP 209.A N GLN 215.A O no hydrogen 2.970 N/A HIS 211.A N ASP 209.A OD1 no hydrogen 2.921 N/A ARG 212.A N ASP 209.A O no hydrogen 3.074 N/A ARG 212.A NE PRO 214.A O no hydrogen 2.805 N/A ARG 212.A NH1 PRO 206.A O no hydrogen 2.742 N/A ARG 212.A NH2 PRO 206.A O no hydrogen 3.147 N/A ARG 212.A NH2 ALA 207.A O no hydrogen 3.315 N/A ARG 212.A NH2 GLN 215.A O no hydrogen 2.633 N/A LEU 217.A N ALA 207.A O no hydrogen 2.753 N/A ASP 219.A N LEU 216.A O no hydrogen 3.201 N/A ALA 221.A N LEU 217.A O no hydrogen 2.903 N/A ALA 222.A N LEU 218.A O no hydrogen 3.044 N/A ALA 223.A N ASP 219.A O no hydrogen 2.987 N/A ILE 224.A N ILE 220.A O no hydrogen 2.880 N/A GLU 225.A N ALA 221.A O no hydrogen 3.015 N/A ASP 226.A N ALA 223.A O no hydrogen 2.954 N/A GLU 227.A N ILE 224.A O no hydrogen 2.994 N/A GLU 228.A N ALA 223.A O no hydrogen 3.027 N/A LYS 229.A NZ TYR 234.A OH no hydrogen 3.054 N/A ASP 233.A N THR 230.A O no hydrogen 3.261 N/A TYR 234.A N ILE 231.A O no hydrogen 2.411 N/A ILE 235.A N GLU 232.A O no hydrogen 3.420 N/A ASP 236.A N ILE 202.A O no hydrogen 2.827 N/A LYS 237.A NZ ASP 233.A O no hydrogen 3.505 N/A LYS 238.A N ASP 236.A OD1 no hydrogen 2.767 N/A LYS 238.A NZ ASP 236.A OD1 no hydrogen 3.310 N/A LYS 238.A NZ ASP 236.A OD2 no hydrogen 3.269 N/A THR 245.A N ASP 243.A OD1 no hydrogen 3.306 N/A THR 245.A OG1 ASP 243.A OD1 no hydrogen 3.463 N/A SER 246.A N ASP 243.A OD2 no hydrogen 3.402 N/A VAL 247.A N ASP 243.A O no hydrogen 2.824 N/A GLU 248.A N SER 244.A O no hydrogen 2.787 N/A ALA 249.A N THR 245.A O no hydrogen 2.776 N/A ALA 249.A N SER 246.A O no hydrogen 3.062 N/A MET 250.A N SER 246.A O no hydrogen 3.138 N/A TYR 251.A N VAL 247.A O no hydrogen 2.942 N/A TYR 251.A OH GLU 225.A OE1 no hydrogen 2.711 N/A SER 252.A N GLU 248.A O no hydrogen 3.146 N/A VAL 253.A N ALA 249.A O no hydrogen 3.254 N/A ALA 254.A N MET 250.A O no hydrogen 3.066 N/A SER 255.A N TYR 251.A O no hydrogen 2.838 N/A SER 255.A OG TYR 251.A O no hydrogen 3.060 N/A GLN 256.A N SER 252.A O no hydrogen 3.096 N/A CYS 257.A N VAL 253.A O no hydrogen 2.957 N/A CYS 257.A SG VAL 253.A O no hydrogen 3.115 N/A LEU 258.A N SER 255.A O no hydrogen 3.012 N/A HIS 259.A N GLN 256.A O no hydrogen 3.468 N/A HIS 259.A ND1 LYS 264.A O no hydrogen 3.124 N/A LYS 262.A NZ GLU 184.A OE2 no hydrogen 3.326 N/A LYS 264.A N LYS 261.A O no hydrogen 2.697 N/A ARG 265.A N LYS 262.A O no hydrogen 3.174 N/A ARG 265.A NE HIS 259.A O no hydrogen 2.810 N/A ARG 265.A NH1 GLU 179.A OE1 no hydrogen 3.340 N/A ARG 265.A NH1 GLU 179.A OE2 no hydrogen 3.071 N/A ARG 265.A NH1 LYS 188.A O no hydrogen 2.916 N/A ARG 265.A NH2 GLU 179.A OE1 no hydrogen 2.809 N/A ARG 265.A NH2 HIS 259.A O no hydrogen 3.543 N/A LYS 270.A N ASP 267.A OD1 no hydrogen 3.352 N/A LYS 270.A NZ GLN 273.A OE1 no hydrogen 3.498 N/A VAL 271.A N ASP 267.A O no hydrogen 3.188 N/A GLN 272.A N ILE 268.A O no hydrogen 2.732 N/A GLN 273.A N LYS 269.A O no hydrogen 2.826 N/A GLN 273.A NE2 GLU 277.A OE1 no hydrogen 2.843 N/A LEU 274.A N LYS 270.A O no hydrogen 2.766 N/A LEU 275.A N VAL 271.A O no hydrogen 2.801 N/A GLN 276.A N GLN 272.A O no hydrogen 3.003 N/A GLU 277.A N GLN 273.A O no hydrogen 2.866 N/A MET 278.A N LEU 274.A O no hydrogen 3.273 N/A THR 279.A N GLN 276.A O no hydrogen 2.793 N/A