Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ap2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N TYR 9.A O no hydrogen 3.326 N/A TYR 9.A N MET 4.A O no hydrogen 3.007 N/A ARG 10.A NE GLU 8.A OE2 no hydrogen 3.452 N/A ARG 10.A NH1 GLU 8.A OE2 no hydrogen 3.107 N/A TYR 11.A N LEU 2.A O no hydrogen 3.237 N/A TYR 11.A OH ALA 99.A O no hydrogen 2.969 N/A MET 15.A N GLY 12.A O no hydrogen 3.122 N/A ILE 18.A N LEU 102.A O no hydrogen 2.782 N/A PHE 19.A N LYS 124.A O no hydrogen 2.818 N/A VAL 20.A N ASN 104.A O no hydrogen 2.858 N/A GLY 21.A N LEU 126.A O no hydrogen 3.111 N/A GLY 22.A N PRO 107.A O no hydrogen 2.856 N/A ARG 25.A NE SER 138.A OG no hydrogen 2.872 N/A SER 26.A OG VAL 23.A O no hydrogen 2.719 N/A SER 26.A OG SER 135.A OG no hydrogen 3.105 N/A MET 31.A N GLY 27.A O no hydrogen 3.101 N/A ARG 32.A N THR 28.A O no hydrogen 3.111 N/A ARG 32.A NH1 ASP 36.A OD2 no hydrogen 2.489 N/A ARG 32.A NH1 SER 225.A O no hydrogen 3.228 N/A ARG 32.A NH2 SER 225.A O no hydrogen 2.742 N/A ALA 33.A N THR 29.A O no hydrogen 2.902 N/A MET 34.A N LEU 30.A O no hydrogen 2.941 N/A LEU 35.A N MET 31.A O no hydrogen 3.221 N/A ASP 36.A N ARG 32.A O no hydrogen 2.861 N/A HIS 38.A N LEU 35.A O no hydrogen 2.799 N/A HIS 38.A NE2 ALA 206.A O no hydrogen 2.846 N/A GLU 40.A N HIS 38.A ND1 no hydrogen 3.128 N/A VAL 41.A N HIS 38.A O no hydrogen 3.185 N/A ARG 42.A N VAL 101.A O no hydrogen 3.283 N/A ARG 42.A NE GLU 97.A O no hydrogen 2.690 N/A ARG 42.A NH1 ILE 92.A O no hydrogen 3.115 N/A ARG 42.A NH1 ALA 93.A O no hydrogen 2.920 N/A ARG 42.A NH2 ILE 92.A O no hydrogen 2.930 N/A CYS 43.A N ASP 36.A OD1 no hydrogen 2.698 N/A CYS 43.A SG ARG 32.A O no hydrogen 3.750 N/A GLY 44.A N ASP 36.A OD2 no hydrogen 2.932 N/A GLU 45.A N GLU 45.A OE2 no hydrogen 2.847 N/A GLU 46.A N GLU 230.A OE2 no hydrogen 2.905 N/A THR 47.A N ASP 106.A OD2 no hydrogen 3.309 N/A THR 47.A OG1 ASP 106.A OD2 no hydrogen 2.740 N/A ARG 48.A N ASP 106.A OD1 no hydrogen 2.869 N/A ILE 49.A N THR 47.A O no hydrogen 2.584 N/A ARG 52.A N ARG 48.A O no hydrogen 3.353 N/A VAL 53.A N ILE 49.A O no hydrogen 2.879 N/A LEU 54.A N ILE 50.A O no hydrogen 2.990 N/A ALA 55.A N PRO 51.A O no hydrogen 2.920 N/A MET 56.A N ARG 52.A O no hydrogen 3.158 N/A ARG 57.A N VAL 53.A O no hydrogen 2.967 N/A ARG 57.A NE.A TYR 115.A OH no hydrogen 3.070 N/A ARG 57.A NH1.A ASP 77.A OD1 no hydrogen 3.397 N/A ARG 57.A NH1.A ASP 81.A OD1 no hydrogen 3.178 N/A ARG 57.A NH2.A ARG 57.A O no hydrogen 3.398 N/A GLN 58.A N LEU 54.A O no hydrogen 3.064 N/A ALA 59.A N ALA 55.A O no hydrogen 2.957 N/A TRP 60.A N MET 56.A O no hydrogen 3.224 N/A SER 61.A N ARG 57.A O no hydrogen 3.355 N/A SER 61.A N GLN 58.A O no hydrogen 3.201 N/A SER 61.A OG ARG 57.A O no hydrogen 3.367 N/A SER 61.A OG GLN 58.A O no hydrogen 2.928 N/A LYS 62.A N GLN 58.A O no hydrogen 2.922 N/A SER 63.A N ALA 59.A O no hydrogen 3.239 N/A GLU 66.A N SER 63.A OG no hydrogen 3.021 N/A LYS 67.A N SER 63.A O no hydrogen 3.024 N/A LYS 67.A NZ ASP 71.A OD2 no hydrogen 3.497 N/A LEU 68.A N GLY 64.A O no hydrogen 3.019 N/A ARG 69.A N ARG 65.A O no hydrogen 3.133 N/A LEU 70.A N GLU 66.A O no hydrogen 3.016 N/A ASP 71.A N LYS 67.A O no hydrogen 2.937 N/A GLU 72.A N LEU 68.A O no hydrogen 2.923 N/A ALA 73.A N ARG 69.A O no hydrogen 2.869 N/A GLY 74.A N ASP 71.A O no hydrogen 2.941 N/A VAL 79.A N THR 76.A O no hydrogen 3.061 N/A LEU 80.A N THR 76.A O no hydrogen 2.970 N/A ASP 81.A N ASP 77.A O no hydrogen 2.881 N/A ALA 82.A N GLU 78.A O no hydrogen 3.113 N/A ALA 83.A N VAL 79.A O no hydrogen 2.991 N/A MET 84.A N LEU 80.A O no hydrogen 2.770 N/A GLN 85.A N ASP 81.A O no hydrogen 2.688 N/A GLN 85.A NE2.A LEU 119.A O no hydrogen 2.894 N/A ALA 86.A N ALA 82.A O no hydrogen 3.027 N/A PHE 87.A N ALA 83.A O no hydrogen 2.793 N/A ILE 88.A N MET 84.A O no hydrogen 2.735 N/A LEU 89.A N GLN 85.A O no hydrogen 3.082 N/A GLU 90.A N ALA 86.A O no hydrogen 3.148 N/A VAL 91.A N PHE 87.A O no hydrogen 3.408 N/A ILE 92.A N ILE 88.A O no hydrogen 2.972 N/A ALA 93.A N LEU 89.A O no hydrogen 2.871 N/A LYS 94.A N GLU 90.A O no hydrogen 2.866 N/A LYS 94.A NZ GLU 90.A OE1 no hydrogen 3.079 N/A HIS 95.A N VAL 91.A O no hydrogen 2.986 N/A ALA 99.A N TYR 11.A OH no hydrogen 2.786 N/A ARG 100.A NE GLU 40.A OE1 no hydrogen 3.307 N/A VAL 101.A N GLU 40.A O no hydrogen 2.911 N/A CYS 103.A N ARG 42.A O no hydrogen 2.907 N/A CYS 103.A SG ILE 18.A O no hydrogen 3.689 N/A ASN 104.A N ILE 18.A O no hydrogen 2.744 N/A LYS 105.A NZ THR 28.A OG1 no hydrogen 2.824 N/A LYS 105.A NZ THR 29.A OG1 no hydrogen 2.846 N/A LYS 105.A NZ GLU 46.A OE2 no hydrogen 2.703 N/A THR 109.A N ASP 106.A O no hydrogen 2.894 N/A THR 109.A OG1 ASP 106.A O no hydrogen 2.605 N/A LYS 111.A N PHE 108.A O no hydrogen 2.830 N/A SER 112.A N THR 109.A O no hydrogen 2.813 N/A SER 113.A OG LEU 110.A O no hydrogen 3.566 N/A VAL 114.A N GLN 171.A OE1 no hydrogen 3.186 N/A TYR 115.A OH ASP 81.A OD1 no hydrogen 2.756 N/A LEU 116.A N SER 112.A O no hydrogen 2.888 N/A SER 117.A N SER 113.A O no hydrogen 2.969 N/A ARG 118.A N VAL 114.A O no hydrogen 3.206 N/A LEU 119.A N TYR 115.A O no hydrogen 2.987 N/A PHE 120.A N LEU 116.A O no hydrogen 2.832 N/A SER 123.A N PHE 120.A O no hydrogen 3.163 N/A SER 123.A OG PHE 120.A O no hydrogen 2.612 N/A LYS 124.A N LEU 17.A O no hydrogen 2.792 N/A LYS 124.A NZ GLU 178.A O no hydrogen 3.028 N/A PHE 125.A N LYS 179.A O no hydrogen 2.677 N/A LEU 126.A N PHE 19.A O no hydrogen 3.064 N/A LEU 127.A N LEU 181.A O no hydrogen 3.060 N/A MET 128.A N GLY 21.A O no hydrogen 2.798 N/A VAL 129.A N VAL 183.A O no hydrogen 2.802 N/A ARG 130.A NH1 ARG 25.A O no hydrogen 2.907 N/A ARG 130.A NH2 ALA 244.A O no hydrogen 2.741 N/A ASP 131.A N GLU 186.A OE2 no hydrogen 3.117 N/A ARG 133.A N ASP 131.A OD1 no hydrogen 3.271 N/A ARG 133.A NE ASP 131.A OD1 no hydrogen 2.675 N/A ARG 133.A NH1 ASP 273.A O no hydrogen 3.394 N/A ARG 133.A NH1 ALA 276.A O no hydrogen 2.940 N/A ARG 133.A NH2 ASP 131.A OD1 no hydrogen 3.309 N/A ARG 133.A NH2 ASP 131.A OD2 no hydrogen 2.761 N/A ARG 133.A NH2 ASP 273.A O no hydrogen 3.227 N/A ALA 134.A N ASP 131.A O no hydrogen 2.861 N/A SER 135.A N ASP 131.A O no hydrogen 3.257 N/A SER 135.A OG ARG 25.A O no hydrogen 2.993 N/A SER 135.A OG SER 26.A OG no hydrogen 3.105 N/A VAL 136.A N GLY 132.A O no hydrogen 2.735 N/A HIS 137.A N ARG 133.A O no hydrogen 2.953 N/A HIS 137.A ND1 TYR 154.A OH no hydrogen 3.100 N/A SER 138.A N ALA 134.A O no hydrogen 2.928 N/A MET 139.A N SER 135.A O no hydrogen 2.741 N/A ILE 140.A N VAL 136.A O no hydrogen 2.906 N/A THR 141.A N HIS 137.A O no hydrogen 2.935 N/A THR 141.A OG1 HIS 137.A O no hydrogen 3.163 N/A ARG 142.A N SER 138.A O no hydrogen 3.032 N/A LYS 143.A N ILE 140.A O no hydrogen 3.183 N/A VAL 144.A N MET 139.A O no hydrogen 3.117 N/A PHE 149.A N ILE 146.A O no hydrogen 2.870 N/A ASP 150.A N ASP 156.A OD2 no hydrogen 3.200 N/A SER 152.A N ASP 150.A OD1 no hydrogen 2.992 N/A SER 153.A N ASP 150.A O no hydrogen 3.073 N/A TYR 154.A OH HIS 137.A ND1 no hydrogen 3.100 N/A ARG 155.A NH1 ASP 259.A OD2 no hydrogen 2.999 N/A ARG 155.A NH2 ASP 255.A OD2 no hydrogen 2.589 N/A ARG 155.A NH2 ASP 259.A OD2 no hydrogen 2.736 N/A ASP 156.A N SER 153.A OG no hydrogen 2.859 N/A CYS 157.A N SER 153.A O no hydrogen 2.956 N/A CYS 157.A SG ASP 150.A O no hydrogen 3.125 N/A CYS 157.A SG SER 153.A O no hydrogen 3.417 N/A LEU 158.A N TYR 154.A O no hydrogen 2.812 N/A THR 159.A N ARG 155.A O no hydrogen 2.963 N/A THR 159.A OG1 ARG 155.A O no hydrogen 3.099 N/A LYS 160.A N ASP 156.A O no hydrogen 2.872 N/A LYS 160.A NZ GLY 148.A O no hydrogen 2.624 N/A LYS 160.A NZ ASP 156.A OD1 no hydrogen 3.140 N/A LYS 160.A NZ ASP 156.A OD2 no hydrogen 2.636 N/A TRP 161.A N CYS 157.A O no hydrogen 2.772 N/A ASN 162.A N LEU 158.A O no hydrogen 2.909 N/A LYS 163.A N THR 159.A O no hydrogen 3.219 N/A ALA 164.A N LYS 160.A O no hydrogen 2.822 N/A ILE 165.A N TRP 161.A O no hydrogen 2.930 N/A GLU 166.A N ASN 162.A O no hydrogen 2.854 N/A VAL 167.A N LYS 163.A O no hydrogen 3.169 N/A MET 168.A N ALA 164.A O no hydrogen 2.941 N/A TYR 169.A N ILE 165.A O no hydrogen 2.714 N/A ALA 170.A N GLU 166.A O no hydrogen 2.955 N/A GLN 171.A N VAL 167.A O no hydrogen 3.016 N/A CYS 172.A N MET 168.A O no hydrogen 3.048 N/A MET 173.A N TYR 169.A O no hydrogen 2.959 N/A GLU 174.A N ALA 170.A O no hydrogen 3.031 N/A VAL 175.A N GLN 171.A O no hydrogen 2.946 N/A GLY 176.A N CYS 172.A O no hydrogen 3.029 N/A LYS 179.A N GLY 176.A O no hydrogen 3.082 N/A LYS 179.A NZ SER 117.A O no hydrogen 3.548 N/A LYS 179.A NZ SER 117.A OG no hydrogen 2.843 N/A LYS 179.A NZ PRO 121.A O no hydrogen 3.237 N/A LYS 179.A NZ SER 123.A O no hydrogen 3.188 N/A CYS 180.A N GLY 176.A O no hydrogen 2.817 N/A CYS 180.A SG PHE 125.A O no hydrogen 3.847 N/A LEU 181.A N PHE 125.A O no hydrogen 2.690 N/A VAL 183.A N LEU 127.A O no hydrogen 2.860 N/A TYR 184.A OH LEU 270.A O no hydrogen 3.151 N/A TYR 185.A N VAL 129.A O no hydrogen 2.645 N/A LEU 188.A N TYR 184.A O no hydrogen 2.856 N/A VAL 189.A N TYR 185.A O no hydrogen 2.846 N/A LEU 190.A N GLU 186.A O no hydrogen 2.971 N/A HIS 191.A N GLN 187.A O no hydrogen 2.882 N/A HIS 191.A ND1 ASP 285.A OD1 no hydrogen 2.855 N/A SER 195.A N HIS 191.A O no hydrogen 3.038 N/A SER 195.A OG GLN 187.A O no hydrogen 3.372 N/A SER 195.A OG HIS 191.A O no hydrogen 3.075 N/A LEU 196.A N PRO 192.A O no hydrogen 2.890 N/A LYS 197.A N ARG 193.A O no hydrogen 2.961 N/A LEU 198.A N ARG 194.A O no hydrogen 3.026 N/A ILE 199.A N SER 195.A O no hydrogen 2.837 N/A LEU 200.A N LEU 196.A O no hydrogen 2.835 N/A ASP 201.A N LYS 197.A O no hydrogen 3.079 N/A PHE 202.A N LEU 198.A O no hydrogen 3.180 N/A LEU 203.A N ILE 199.A O no hydrogen 3.034 N/A GLY 204.A N ASP 201.A O no hydrogen 2.414 N/A ILE 205.A N LEU 200.A O no hydrogen 2.891 N/A ALA 210.A N SER 208.A OG no hydrogen 3.124 N/A VAL 211.A N SER 208.A O no hydrogen 3.431 N/A LEU 212.A N ASP 209.A O no hydrogen 3.060 N/A HIS 213.A N ALA 210.A O no hydrogen 2.863 N/A HIS 214.A NE2 VAL 236.A O no hydrogen 2.734 N/A GLU 215.A N GLU 215.A OE2 no hydrogen 2.650 N/A ASP 216.A N HIS 213.A O no hydrogen 3.017 N/A LEU 217.A N HIS 214.A O no hydrogen 2.997 N/A GLY 219.A N VAL 224.A O no hydrogen 3.026 N/A LYS 220.A N LEU 217.A O no hydrogen 3.399 N/A LYS 220.A NZ ASP 216.A O no hydrogen 3.319 N/A GLY 222.A N GLU 97.A OE2 no hydrogen 3.305 N/A GLY 223.A N LYS 220.A O no hydrogen 2.489 N/A VAL 224.A N LEU 217.A O no hydrogen 2.713 N/A SER 225.A OG GLU 45.A OE1 no hydrogen 2.725 N/A SER 225.A OG GLU 45.A OE2 no hydrogen 3.520 N/A ILE 229.A N SER 227.A OG no hydrogen 3.289 N/A ARG 231.A NH1 ARG 142.A O no hydrogen 2.850 N/A ARG 231.A NH2 LYS 143.A O no hydrogen 2.966 N/A THR 233.A N GLU 230.A O no hydrogen 3.334 N/A THR 233.A OG1 SER 227.A O no hydrogen 2.553 N/A THR 233.A OG1 GLU 230.A O no hydrogen 3.373 N/A GLN 235.A N SER 232.A O no hydrogen 2.919 N/A VAL 236.A N SER 232.A O no hydrogen 3.133 N/A VAL 236.A N THR 233.A O no hydrogen 3.094 N/A ILE 237.A N THR 233.A O no hydrogen 3.379 N/A LEU 242.A N THR 292.A OG1 no hydrogen 2.995 N/A TRP 248.A NE1 TYR 281.A OH no hydrogen 3.037 N/A THR 249.A N SER 246.A O no hydrogen 3.039 N/A THR 249.A OG1 SER 246.A O no hydrogen 2.836 N/A HIS 251.A N TRP 248.A O no hydrogen 3.051 N/A VAL 256.A N PRO 253.A O no hydrogen 2.837 N/A VAL 257.A N PRO 253.A O no hydrogen 3.131 N/A ARG 258.A N GLY 254.A O no hydrogen 2.978 N/A ARG 258.A NE ASP 259.A OD1 no hydrogen 2.989 N/A ARG 258.A NH1 ASP 259.A OD1 no hydrogen 3.507 N/A ARG 258.A NH1 ASP 259.A OD2 no hydrogen 3.209 N/A ASP 259.A N ASP 255.A O no hydrogen 3.156 N/A MET 260.A N VAL 257.A O no hydrogen 3.417 N/A GLN 262.A N ASP 259.A O no hydrogen 2.727 N/A ILE 263.A N ASP 259.A O no hydrogen 2.910 N/A ALA 264.A N MET 260.A O no hydrogen 2.971 N/A LEU 267.A N ALA 264.A O no hydrogen 2.869 N/A GLN 269.A N PRO 265.A O no hydrogen 3.433 N/A LEU 270.A N MET 266.A O no hydrogen 3.094 N/A LEU 270.A N LEU 267.A O no hydrogen 3.080 N/A GLY 271.A N ALA 268.A O no hydrogen 2.907 N/A TYR 272.A N LEU 267.A O no hydrogen 3.014 N/A TYR 272.A OH GLU 186.A OE1 no hydrogen 2.723 N/A TYR 275.A N ASP 273.A OD2 no hydrogen 2.775 N/A ALA 276.A N ASP 273.A O no hydrogen 3.101 N/A ALA 276.A N ASP 273.A OD2 no hydrogen 2.929 N/A ASN 277.A ND2 ASN 277.A O no hydrogen 2.572 N/A TYR 281.A OH ASP 131.A OD2 no hydrogen 2.631 N/A ASP 285.A N LEU 190.A O no hydrogen 2.944 N/A ILE 289.A N ASP 285.A O no hydrogen 3.207 N/A ASN 290.A N PRO 286.A O no hydrogen 2.838 N/A ASN 291.A N PHE 287.A O no hydrogen 2.930 N/A ASN 291.A ND2 VAL 240.A O no hydrogen 2.973 N/A THR 292.A N VAL 288.A O no hydrogen 2.909 N/A THR 292.A OG1 VAL 288.A O no hydrogen 2.860 N/A GLN 293.A N ILE 289.A O no hydrogen 2.942 N/A ARG 294.A N ASN 290.A O no hydrogen 2.889 N/A ARG 294.A NH1 ASN 291.A OD1 no hydrogen 3.230 N/A ARG 294.A NH2 ASN 291.A OD1 no hydrogen 3.275 N/A ARG 294.A NH2 TYR 300.A OH no hydrogen 3.500 N/A VAL 295.A N ASN 291.A O no hydrogen 3.064 N/A LEU 296.A N THR 292.A O no hydrogen 3.097 N/A LYS 297.A N GLN 293.A O no hydrogen 2.920 N/A GLY 298.A N ARG 294.A O no hydrogen 3.314 N/A GLY 298.A N VAL 295.A O no hydrogen 3.074 N/A ASP 299.A N ARG 294.A O no hydrogen 3.420 N/A