Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ap1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N PHE 19.A O no hydrogen 2.704 N/A TYR 5.A N SER 61.A O no hydrogen 2.852 N/A TYR 5.A OH ASP 53.A OD1 no hydrogen 2.676 N/A GLY 6.A N GLY 17.A O no hydrogen 2.880 N/A PHE 7.A N GLY 63.A O no hydrogen 2.877 N/A ASP 8.A N ALA 15.A O no hydrogen 2.861 N/A ILE 9.A N GLY 65.A O no hydrogen 3.093 N/A GLY 10.A N LYS 13.A O no hydrogen 2.986 N/A ILE 14.A N VAL 31.A O no hydrogen 2.809 N/A ALA 15.A N ASP 8.A O no hydrogen 3.013 N/A LEU 16.A N LYS 29.A O no hydrogen 2.744 N/A GLY 17.A N GLY 6.A O no hydrogen 2.873 N/A VAL 18.A N TRP 27.A O no hydrogen 2.850 N/A PHE 19.A N TYR 4.A O no hydrogen 2.813 N/A ASP 20.A N ARG 24.A O no hydrogen 3.071 N/A THR 22.A N ASP 20.A OD1 no hydrogen 2.863 N/A THR 22.A OG1 ASP 20.A OD1 no hydrogen 2.656 N/A ARG 23.A N ASP 20.A O no hydrogen 2.916 N/A ARG 23.A NH1 TRP 117.A O no hydrogen 3.031 N/A ARG 23.A NH1 ASP 119.A OD1 no hydrogen 3.342 N/A ARG 24.A N ASP 20.A OD1 no hydrogen 3.139 N/A GLN 26.A N VAL 18.A O no hydrogen 2.688 N/A GLN 26.A NE2 ASP 20.A OD2 no hydrogen 2.828 N/A TRP 27.A N VAL 18.A O no hydrogen 3.449 N/A LYS 29.A N LEU 16.A O no hydrogen 3.051 N/A LYS 29.A NZ GLU 51.A OE1 no hydrogen 3.456 N/A LYS 29.A NZ GLU 51.A OE2 no hydrogen 2.688 N/A VAL 31.A N ILE 14.A O no hydrogen 2.985 N/A THR 33.A N THR 12.A O no hydrogen 2.842 N/A THR 33.A OG1 GLY 10.A O no hydrogen 2.792 N/A HIS 35.A NE2 GLY 11.A O no hydrogen 2.543 N/A SER 37.A OG SER 39.A OG.A no hydrogen 3.158 N/A TYR 38.A OH ASP 93.A OD2 no hydrogen 2.616 N/A SER 39.A OG.A SER 37.A OG no hydrogen 3.158 N/A ALA 40.A N SER 37.A OG no hydrogen 3.178 N/A PHE 41.A N SER 37.A O no hydrogen 3.193 N/A LEU 42.A N TYR 38.A O no hydrogen 2.831 N/A ASP 43.A N SER 39.A O no hydrogen 3.003 N/A ALA 44.A N ALA 40.A O no hydrogen 2.909 N/A VAL 45.A N PHE 41.A O no hydrogen 3.218 N/A CYS 46.A N LEU 42.A O no hydrogen 2.908 N/A CYS 46.A SG LEU 42.A O no hydrogen 3.309 N/A GLU 47.A N ASP 43.A O no hydrogen 2.889 N/A VAL 49.A N VAL 45.A O no hydrogen 3.121 N/A GLU 50.A N CYS 46.A O no hydrogen 2.855 N/A GLU 51.A N GLU 47.A O no hydrogen 2.900 N/A ALA 52.A N LEU 48.A O no hydrogen 2.979 N/A ASP 53.A N VAL 49.A O no hydrogen 2.887 N/A GLN 54.A N GLU 50.A O no hydrogen 2.960 N/A ARG 55.A N GLU 51.A O no hydrogen 2.885 N/A PHE 56.A N ALA 52.A O no hydrogen 2.900 N/A VAL 58.A N ASP 53.A O no hydrogen 3.171 N/A GLY 60.A N ASP 53.A OD1 no hydrogen 3.083 N/A SER 61.A N MET 3.A O no hydrogen 3.050 N/A GLY 63.A N TYR 5.A O no hydrogen 3.055 N/A ILE 64.A N ARG 103.A O no hydrogen 2.876 N/A GLY 65.A N PHE 7.A O no hydrogen 2.813 N/A ILE 66.A N ASP 105.A O no hydrogen 2.986 N/A GLY 68.A N ILE 66.A O no hydrogen 2.918 N/A MET 69.A N TYR 78.A O no hydrogen 2.688 N/A THR 72.A N THR 76.A O no hydrogen 2.683 N/A THR 72.A OG1 ASP 74.A OD1 no hydrogen 2.574 N/A THR 72.A OG1 THR 76.A O no hydrogen 3.278 N/A GLY 75.A N THR 72.A O no hydrogen 2.850 N/A THR 76.A N THR 72.A OG1 no hydrogen 3.234 N/A THR 76.A N ASP 74.A OD1 no hydrogen 3.270 N/A THR 76.A OG1 ASP 74.A OD1 no hydrogen 2.785 N/A LEU 77.A N LYS 88.A O no hydrogen 2.941 N/A TYR 78.A N MET 69.A O no hydrogen 2.840 N/A ALA 79.A N SER 86.A OG.A no hydrogen 3.054 N/A ALA 79.A N SER 86.A OG.B no hydrogen 3.085 N/A VAL 82.A N ALA 79.A O no hydrogen 3.088 N/A ALA 85.A N VAL 82.A O no hydrogen 3.195 N/A SER 86.A N VAL 82.A O no hydrogen 3.085 N/A SER 86.A N PRO 83.A O no hydrogen 3.291 N/A SER 86.A OG.B ALA 79.A O no hydrogen 2.576 N/A SER 86.A OG.B VAL 82.A O no hydrogen 2.786 N/A GLY 87.A N LEU 77.A O no hydrogen 2.731 N/A LYS 88.A N ALA 85.A O no hydrogen 3.150 N/A LEU 90.A N LYS 88.A O no hydrogen 2.825 N/A ARG 91.A NE VAL 102.A O no hydrogen 2.866 N/A ARG 91.A NH1 GLU 71.A OE1 no hydrogen 3.180 N/A ARG 91.A NH2 ASP 101.A OD1 no hydrogen 2.793 N/A ASP 93.A N PRO 89.A O no hydrogen 2.944 N/A LEU 94.A N LEU 90.A O no hydrogen 2.857 N/A SER 95.A N ARG 91.A O no hydrogen 2.937 N/A SER 95.A OG ARG 91.A O no hydrogen 2.780 N/A SER 95.A OG ARG 100.A O no hydrogen 3.357 N/A ALA 96.A N ALA 92.A O no hydrogen 2.947 N/A ARG 97.A N.A ASP 93.A O no hydrogen 3.010 N/A ARG 97.A N.B ASP 93.A O no hydrogen 3.019 N/A ARG 97.A NH1.B ASP 43.A OD1 no hydrogen 2.763 N/A ARG 97.A NH2.A ASP 43.A OD1 no hydrogen 2.678 N/A ARG 97.A NH2.B ASP 43.A OD1 no hydrogen 3.569 N/A LEU 98.A N LEU 94.A O no hydrogen 2.932 N/A ARG 100.A N SER 95.A O no hydrogen 3.240 N/A ARG 100.A NE LEU 98.A O no hydrogen 2.878 N/A ARG 100.A NH1 ASP 53.A OD1 no hydrogen 3.271 N/A ARG 100.A NH1 ASP 53.A OD2 no hydrogen 3.134 N/A ARG 100.A NH1 GLY 60.A O no hydrogen 2.851 N/A ARG 100.A NH2 ASP 53.A OD2 no hydrogen 2.816 N/A ARG 100.A NH2 LEU 98.A O no hydrogen 3.355 N/A VAL 102.A N SER 95.A OG no hydrogen 3.044 N/A ARG 103.A N VAL 62.A O no hydrogen 2.971 N/A ARG 103.A NE ASP 101.A OD2 no hydrogen 2.926 N/A ARG 103.A NH1 LEU 301.A O no hydrogen 2.931 N/A ARG 103.A NH1 THR 304.A O no hydrogen 2.889 N/A ARG 103.A NH2 ASP 101.A OD2 no hydrogen 3.475 N/A ARG 103.A NH2 ASP 305.A OXT no hydrogen 2.878 N/A ASP 105.A N ILE 64.A O no hydrogen 3.052 N/A ASN 106.A N ASP 105.A OD1 no hydrogen 2.735 N/A ASP 107.A N ILE 66.A O no hydrogen 3.033 N/A ASN 109.A N ASN 106.A OD1 no hydrogen 2.811 N/A ASN 109.A ND2 ASP 105.A OD1 no hydrogen 2.785 N/A CYS 110.A N ASN 106.A O no hydrogen 3.001 N/A CYS 110.A SG ASN 106.A O no hydrogen 3.484 N/A PHE 111.A N ASP 107.A O no hydrogen 2.921 N/A ALA 112.A N ALA 108.A O no hydrogen 3.116 N/A LEU 113.A N ASN 109.A O no hydrogen 2.865 N/A SER 114.A N CYS 110.A O no hydrogen 2.879 N/A GLU 115.A N PHE 111.A O no hydrogen 3.204 N/A ALA 116.A N ALA 112.A O no hydrogen 2.905 N/A TRP 117.A N LEU 113.A O no hydrogen 3.056 N/A TRP 117.A NE1 GLY 144.A O no hydrogen 2.891 N/A ASP 118.A N GLU 115.A O no hydrogen 2.993 N/A GLU 120.A N ASP 118.A OD2 no hydrogen 3.320 N/A PHE 121.A N ASP 118.A O no hydrogen 2.819 N/A THR 122.A N ASP 118.A O no hydrogen 3.148 N/A THR 122.A OG1 ASP 119.A O no hydrogen 3.158 N/A GLN 123.A NE2 GLU 120.A O no hydrogen 2.923 N/A TYR 124.A N PHE 121.A O no hydrogen 2.997 N/A LEU 126.A N ASP 249.A OD2 no hydrogen 2.888 N/A VAL 127.A N VAL 141.A O no hydrogen 2.860 N/A MET 128.A N LEU 250.A O no hydrogen 2.851 N/A GLY 129.A N GLY 139.A O no hydrogen 2.854 N/A LEU 130.A N VAL 252.A O no hydrogen 2.834 N/A ILE 131.A N GLY 137.A O no hydrogen 2.815 N/A LEU 132.A N GLY 254.A O no hydrogen 2.888 N/A GLY 133.A N GLY 135.A O no hydrogen 2.861 N/A VAL 136.A N GLU 188.A OE2 no hydrogen 2.864 N/A GLY 137.A N ILE 131.A O no hydrogen 3.231 N/A GLY 139.A N GLY 129.A O no hydrogen 3.004 N/A VAL 141.A N VAL 127.A O no hydrogen 2.858 N/A LEU 142.A N LYS 145.A O no hydrogen 2.932 N/A ASN 143.A N PRO 125.A O no hydrogen 2.810 N/A LYS 145.A N LEU 142.A O no hydrogen 3.144 N/A LYS 145.A NZ THR 304.A OG1 no hydrogen 2.975 N/A LYS 145.A NZ ASP 305.A O no hydrogen 3.104 N/A ILE 147.A N LEU 140.A O no hydrogen 2.787 N/A THR 148.A OG1 GLY 149.A O no hydrogen 3.203 N/A GLU 156.A N ILE 153.A O no hydrogen 2.998 N/A PHE 157.A N GLY 155.A O no hydrogen 2.806 N/A HIS 159.A N GLU 156.A O no hydrogen 3.081 N/A MET 160.A N PHE 157.A O no hydrogen 3.309 N/A LEU 162.A N GLY 185.A O no hydrogen 2.912 N/A ALA 166.A N PRO 163.A O no hydrogen 2.888 N/A LEU 167.A N VAL 164.A O no hydrogen 2.886 N/A THR 168.A N VAL 164.A O no hydrogen 3.194 N/A LEU 169.A N ASP 165.A O no hydrogen 3.102 N/A MET 170.A N ALA 166.A O no hydrogen 2.803 N/A GLY 171.A N LEU 167.A O no hydrogen 2.605 N/A PHE 174.A N GLY 171.A O no hydrogen 3.127 N/A ARG 177.A N TYR 190.A OH no hydrogen 2.857 N/A ARG 177.A NH1 ASN 189.A O no hydrogen 2.823 N/A CYS 179.A N GLN 183.A O no hydrogen 2.796 N/A CYS 179.A SG HIS 159.A ND1 no hydrogen 3.468 N/A CYS 181.A SG HIS 159.A ND1 no hydrogen 3.709 N/A GLY 182.A N CYS 179.A O no hydrogen 2.951 N/A GLY 185.A N ARG 177.A O no hydrogen 2.775 N/A CYS 186.A SG HIS 159.A ND1 no hydrogen 3.898 N/A ILE 187.A N MET 160.A O no hydrogen 3.306 N/A GLU 188.A N GLY 158.A O no hydrogen 2.858 N/A ASN 189.A N CYS 186.A O no hydrogen 3.364 N/A TYR 190.A N ILE 187.A O no hydrogen 2.992 N/A TYR 190.A OH PRO 175.A O no hydrogen 2.579 N/A LEU 191.A N ILE 187.A O no hydrogen 3.063 N/A SER 192.A N GLU 188.A O no hydrogen 3.127 N/A SER 192.A OG GLU 188.A O no hydrogen 3.081 N/A GLY 193.A N GLY 133.A O no hydrogen 2.751 N/A GLY 195.A N SER 192.A OG no hydrogen 2.911 N/A PHE 196.A N SER 192.A O no hydrogen 2.761 N/A ALA 197.A N GLY 193.A O no hydrogen 3.139 N/A TRP 198.A N ARG 194.A O no hydrogen 2.809 N/A LEU 199.A N GLY 195.A O no hydrogen 2.886 N/A TYR 200.A N PHE 196.A O no hydrogen 3.288 N/A GLN 201.A N ALA 197.A O no hydrogen 3.066 N/A HIS 202.A N TRP 198.A O no hydrogen 2.768 N/A TYR 203.A N LEU 199.A O no hydrogen 3.374 N/A TYR 203.A N TYR 200.A O no hydrogen 3.098 N/A TYR 204.A N TYR 200.A O no hydrogen 2.793 N/A ASP 205.A N GLN 201.A O no hydrogen 2.819 N/A GLN 206.A NE2 GLN 223.A OE1 no hydrogen 3.173 N/A SER 207.A OG SER 207.A O no hydrogen 2.502 N/A GLN 209.A N GLU 212.A OE1 no hydrogen 2.820 N/A ILE 213.A N GLN 209.A O no hydrogen 3.184 N/A ILE 214.A N ALA 210.A O no hydrogen 2.863 N/A ALA 215.A N PRO 211.A O no hydrogen 2.847 N/A LEU 216.A N GLU 212.A O no hydrogen 3.113 N/A TRP 217.A N ILE 213.A O no hydrogen 2.927 N/A GLU 218.A N ILE 214.A O no hydrogen 2.954 N/A GLN 219.A N ALA 215.A O no hydrogen 3.148 N/A GLY 220.A N TRP 217.A O no hydrogen 2.841 N/A ASP 221.A N LEU 216.A O no hydrogen 2.829 N/A ALA 224.A N ASP 221.A OD2 no hydrogen 2.925 N/A HIS 225.A N ASP 221.A O no hydrogen 2.966 N/A HIS 225.A NE2 TRP 217.A O no hydrogen 2.805 N/A ALA 226.A N GLU 222.A O no hydrogen 2.969 N/A HIS 227.A N GLN 223.A O no hydrogen 2.717 N/A VAL 228.A N ALA 224.A O no hydrogen 2.899 N/A GLU 229.A N HIS 225.A O no hydrogen 3.090 N/A ARG 230.A N ALA 226.A O no hydrogen 3.187 N/A ARG 230.A NH2 TYR 204.A OH no hydrogen 2.651 N/A TYR 231.A N HIS 227.A O no hydrogen 2.908 N/A TYR 231.A OH LEU 191.A O no hydrogen 2.565 N/A LEU 232.A N VAL 228.A O no hydrogen 2.862 N/A ASP 233.A N GLU 229.A O no hydrogen 2.964 N/A LEU 234.A N ARG 230.A O no hydrogen 2.854 N/A LEU 235.A N TYR 231.A O no hydrogen 2.821 N/A ALA 236.A N LEU 232.A O no hydrogen 2.970 N/A VAL 237.A N ASP 233.A O no hydrogen 3.059 N/A CYS 238.A N LEU 234.A O no hydrogen 3.078 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.331 N/A LEU 239.A N LEU 235.A O no hydrogen 2.876 N/A GLY 240.A N ALA 236.A O no hydrogen 2.839 N/A ASN 241.A ND2 ASP 165.A OD1 no hydrogen 3.329 N/A ASN 241.A ND2 VAL 237.A O no hydrogen 3.140 N/A ILE 242.A N CYS 238.A O no hydrogen 3.272 N/A LEU 243.A N LEU 239.A O no hydrogen 2.707 N/A THR 244.A N GLY 240.A O no hydrogen 3.109 N/A THR 244.A OG1 GLY 240.A O no hydrogen 2.755 N/A ILE 245.A N ILE 242.A O no hydrogen 3.068 N/A VAL 246.A N ILE 242.A O no hydrogen 2.906 N/A ASP 247.A N LEU 243.A O no hydrogen 2.763 N/A ASP 249.A N LEU 126.A O no hydrogen 2.871 N/A LEU 250.A N LEU 126.A O no hydrogen 3.312 N/A LEU 251.A N ARG 283.A O no hydrogen 2.809 N/A VAL 252.A N MET 128.A O no hydrogen 2.913 N/A ILE 253.A N GLU 285.A O no hydrogen 2.796 N/A GLY 254.A N LEU 130.A O no hydrogen 2.736 N/A LEU 257.A N LEU 132.A O no hydrogen 2.980 N/A SER 258.A N GLY 255.A O no hydrogen 2.920 N/A SER 258.A OG GLY 255.A O no hydrogen 2.594 N/A ASN 259.A N GLY 256.A O no hydrogen 3.100 N/A ASN 259.A ND2 GLY 256.A O no hydrogen 3.266 N/A PHE 260.A N LEU 257.A O no hydrogen 2.851 N/A ILE 263.A N PHE 260.A O no hydrogen 3.114 N/A THR 264.A N THR 261.A O no hydrogen 3.014 N/A THR 264.A OG1 THR 261.A O no hydrogen 3.384 N/A THR 265.A N THR 261.A O no hydrogen 2.952 N/A THR 265.A OG1 THR 261.A O no hydrogen 3.015 N/A GLN 266.A N ALA 262.A O no hydrogen 2.915 N/A ARG 270.A N LEU 267.A O no hydrogen 2.932 N/A ARG 270.A NE ASP 233.A OD1 no hydrogen 2.686 N/A ARG 270.A NH1 GLN 266.A O no hydrogen 3.008 N/A ARG 270.A NH2 GLU 229.A O no hydrogen 3.521 N/A ARG 270.A NH2 GLU 229.A OE1 no hydrogen 2.577 N/A ARG 270.A NH2 ASP 233.A OD1 no hydrogen 3.279 N/A LEU 271.A N ALA 268.A O no hydrogen 3.207 N/A ARG 273.A NE HIS 274.A NE2 no hydrogen 3.252 N/A ARG 273.A NH2 ASP 233.A OD1 no hydrogen 2.859 N/A HIS 274.A N LEU 271.A O no hydrogen 2.782 N/A LEU 275.A N PRO 272.A O no hydrogen 3.142 N/A ALA 279.A N LEU 276.A O no hydrogen 2.903 N/A ARG 283.A N ASP 249.A O no hydrogen 3.136 N/A ARG 283.A NE GLU 285.A OE2 no hydrogen 2.813 N/A ARG 283.A NH1 GLU 120.A OE2 no hydrogen 2.950 N/A ARG 283.A NH1 TYR 124.A OH no hydrogen 2.780 N/A ARG 283.A NH2 GLU 120.A OE2 no hydrogen 2.902 N/A ARG 283.A NH2 GLU 285.A OE2 no hydrogen 2.888 N/A GLU 285.A N LEU 251.A O no hydrogen 2.937 N/A ARG 286.A NH2 ASN 259.A OD1 no hydrogen 3.026 N/A ALA 287.A N ILE 253.A O no hydrogen 2.942 N/A ARG 288.A N GLU 115.A OE1 no hydrogen 2.789 N/A ARG 288.A NH1 ASP 118.A OD2 no hydrogen 2.849 N/A ARG 288.A NH1 GLU 120.A OE1 no hydrogen 2.816 N/A ARG 288.A NH2 GLU 120.A OE1 no hydrogen 2.903 N/A HIS 289.A N GLU 115.A OE2 no hydrogen 2.870 N/A ARG 296.A N ALA 292.A O no hydrogen 2.971 N/A ARG 296.A NE SER 114.A OG no hydrogen 2.901 N/A ARG 296.A NH2 SER 114.A O no hydrogen 2.826 N/A GLY 297.A N GLY 293.A O no hydrogen 2.868 N/A ALA 298.A N GLY 294.A O no hydrogen 3.226 N/A ALA 299.A N MET 295.A O no hydrogen 2.941 N/A PHE 300.A N ARG 296.A O no hydrogen 2.902 N/A LEU 301.A N ALA 298.A O no hydrogen 3.230 N/A HIS 302.A N ALA 299.A O no hydrogen 3.269 N/A HIS 302.A NE2 VAL 62.A O no hydrogen 2.862 N/A LEU 303.A N PHE 300.A O no hydrogen 2.964 N/A