Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pdj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A NE2 ILE 191.A O no hydrogen 3.075 N/A GLN 1.A NE2 ARG 233.A O no hydrogen 2.973 N/A LEU 4.A N LEU 232.A O no hydrogen 3.136 N/A ARG 9.A NE GLU 6.A OE1 no hydrogen 3.166 N/A ARG 9.A NE GLU 6.A OE2 no hydrogen 3.059 N/A ARG 9.A NH1 GLU 11.A OE1 no hydrogen 2.606 N/A ARG 9.A NH2 GLU 6.A OE1 no hydrogen 2.861 N/A MET 12.A N ARG 9.A O no hydrogen 2.884 N/A LEU 13.A N PRO 10.A O no hydrogen 3.445 N/A GLN 14.A N GLU 11.A O no hydrogen 3.158 N/A GLY 15.A N GLY 39.A O no hydrogen 2.955 N/A LYS 16.A N LEU 13.A O no hydrogen 2.690 N/A LYS 16.A NZ MET 12.A O no hydrogen 3.560 N/A LYS 17.A N ASP 95.A OD2 no hydrogen 2.722 N/A LYS 17.A NZ MET 91.A O no hydrogen 3.363 N/A LYS 17.A NZ GLY 92.A O no hydrogen 3.385 N/A VAL 18.A N HIS 41.A O no hydrogen 2.958 N/A ILE 19.A N MET 96.A O no hydrogen 2.951 N/A VAL 20.A N VAL 43.A O no hydrogen 3.093 N/A THR 21.A N ILE 98.A O no hydrogen 3.149 N/A ALA 23.A N THR 45.A O no hydrogen 2.993 N/A ARG 29.A N LYS 25.A O no hydrogen 3.235 N/A GLU 30.A N GLY 26.A O no hydrogen 3.056 N/A MET 31.A N ILE 27.A O no hydrogen 2.824 N/A ALA 32.A N GLY 28.A O no hydrogen 2.998 N/A TYR 33.A N ARG 29.A O no hydrogen 3.032 N/A HIS 34.A N GLU 30.A O no hydrogen 2.957 N/A HIS 34.A NE2 GLU 220.A O no hydrogen 2.832 N/A LEU 35.A N MET 31.A O no hydrogen 3.003 N/A ALA 36.A N ALA 32.A O no hydrogen 3.048 N/A LYS 37.A N TYR 33.A O no hydrogen 3.021 N/A MET 38.A N LEU 35.A O no hydrogen 3.356 N/A GLY 39.A N ALA 36.A O no hydrogen 2.727 N/A ALA 40.A N LEU 35.A O no hydrogen 2.977 N/A HIS 41.A N LYS 16.A O no hydrogen 2.969 N/A HIS 41.A ND1 SER 66.A OG no hydrogen 2.711 N/A VAL 42.A N SER 66.A O no hydrogen 3.006 N/A VAL 43.A N VAL 18.A O no hydrogen 3.063 N/A VAL 44.A N HIS 68.A O no hydrogen 3.114 N/A THR 45.A N VAL 20.A O no hydrogen 3.083 N/A THR 45.A OG1 ILE 70.A O no hydrogen 2.723 N/A LEU 52.A N SER 48.A O no hydrogen 2.905 N/A GLN 53.A N LYS 49.A O no hydrogen 3.025 N/A GLN 53.A NE2 GLN 53.A O no hydrogen 2.937 N/A LYS 54.A N GLU 50.A O no hydrogen 3.297 N/A VAL 55.A N THR 51.A O no hydrogen 2.842 N/A VAL 56.A N LEU 52.A O no hydrogen 2.744 N/A SER 57.A N GLN 53.A O no hydrogen 3.079 N/A SER 57.A OG GLN 53.A O no hydrogen 3.296 N/A HIS 58.A N LYS 54.A O no hydrogen 3.170 N/A CYS 59.A N VAL 55.A O no hydrogen 3.011 N/A CYS 59.A SG ALA 32.A O no hydrogen 3.590 N/A CYS 59.A SG VAL 55.A O no hydrogen 3.466 N/A LEU 60.A N VAL 56.A O no hydrogen 3.095 N/A GLU 61.A N SER 57.A O no hydrogen 3.038 N/A LEU 62.A N HIS 58.A O no hydrogen 3.068 N/A LEU 62.A N CYS 59.A O no hydrogen 2.859 N/A GLY 63.A N CYS 59.A O no hydrogen 3.136 N/A GLY 63.A N LEU 60.A O no hydrogen 3.144 N/A ALA 64.A N CYS 59.A O no hydrogen 3.362 N/A ALA 65.A N ALA 40.A O no hydrogen 3.004 N/A SER 66.A OG HIS 41.A ND1 no hydrogen 2.711 N/A HIS 68.A N VAL 42.A O no hydrogen 3.064 N/A ILE 70.A N VAL 44.A O no hydrogen 3.227 N/A GLY 72.A N ALA 46.A O no hydrogen 2.922 N/A THR 73.A OG1 GLU 75.A OE2 no hydrogen 2.601 N/A GLU 75.A N THR 73.A OG1 no hydrogen 3.173 N/A ASP 76.A N THR 73.A O no hydrogen 3.084 N/A PHE 79.A N ASP 76.A OD1 no hydrogen 3.281 N/A ALA 80.A N ASP 76.A O no hydrogen 3.138 N/A GLU 81.A N MET 77.A O no hydrogen 3.046 N/A GLN 82.A N THR 78.A O no hydrogen 2.811 N/A PHE 83.A N PHE 79.A O no hydrogen 2.626 N/A GLN 86.A N GLN 82.A O no hydrogen 3.144 N/A ALA 87.A N PHE 83.A O no hydrogen 2.899 N/A GLY 88.A N VAL 84.A O no hydrogen 2.862 N/A LYS 89.A N ALA 85.A O no hydrogen 3.070 N/A LEU 90.A N GLN 86.A O no hydrogen 3.090 N/A MET 91.A N GLY 88.A O no hydrogen 2.852 N/A GLY 92.A N GLY 88.A O no hydrogen 2.713 N/A GLY 93.A N GLY 88.A O no hydrogen 3.021 N/A ASP 95.A N LYS 17.A O no hydrogen 2.583 N/A MET 96.A N LYS 17.A O no hydrogen 3.010 N/A LEU 97.A N SER 145.A O no hydrogen 2.794 N/A ILE 98.A N ILE 19.A O no hydrogen 2.991 N/A LEU 99.A N VAL 147.A O no hydrogen 2.778 N/A ASN 100.A N THR 21.A OG1 no hydrogen 2.924 N/A HIS 101.A N THR 21.A OG1 no hydrogen 3.330 N/A THR 103.A N ASN 124.A OD1 no hydrogen 2.902 N/A THR 105.A OG1 HIS 116.A NE2 no hydrogen 2.986 N/A SER 106.A OG ASN 108.A OD1 no hydrogen 3.300 N/A ASN 108.A N MET 160.A O no hydrogen 3.287 N/A ILE 114.A N ASP 112.A O no hydrogen 2.983 N/A HIS 116.A N ASP 113.A OD2 no hydrogen 3.456 N/A HIS 116.A NE2 THR 105.A OG1 no hydrogen 2.986 N/A VAL 117.A N ASP 113.A O no hydrogen 3.347 N/A ARG 118.A N ILE 114.A O no hydrogen 2.892 N/A LYS 119.A N HIS 115.A O no hydrogen 2.978 N/A SER 120.A N HIS 116.A O no hydrogen 3.029 N/A SER 120.A OG HIS 116.A O no hydrogen 2.963 N/A MET 121.A N VAL 117.A O no hydrogen 3.009 N/A GLU 122.A N ARG 118.A O no hydrogen 2.744 N/A VAL 123.A N LYS 119.A O no hydrogen 2.894 N/A ASN 124.A N SER 120.A O no hydrogen 2.755 N/A ASN 124.A ND2 SER 167.A OG no hydrogen 3.097 N/A PHE 125.A N MET 121.A O no hydrogen 3.116 N/A LEU 126.A N MET 121.A O no hydrogen 2.776 N/A SER 127.A N GLU 122.A O no hydrogen 2.909 N/A SER 127.A OG VAL 123.A O no hydrogen 2.578 N/A TYR 128.A OH HIS 101.A O no hydrogen 2.942 N/A VAL 129.A N PHE 125.A O no hydrogen 3.236 N/A VAL 130.A N LEU 126.A O no hydrogen 2.914 N/A LEU 131.A N SER 127.A O no hydrogen 2.886 N/A THR 132.A N TYR 128.A O no hydrogen 3.119 N/A THR 132.A OG1 TYR 128.A O no hydrogen 2.830 N/A VAL 133.A N VAL 129.A O no hydrogen 2.967 N/A ALA 134.A N VAL 130.A O no hydrogen 3.010 N/A ALA 135.A N LEU 131.A O no hydrogen 2.923 N/A ALA 135.A N THR 132.A O no hydrogen 2.958 N/A LEU 139.A N ALA 135.A O no hydrogen 3.065 N/A LYS 140.A N LEU 136.A O no hydrogen 2.771 N/A GLN 141.A N PRO 137.A O no hydrogen 3.147 N/A SER 142.A N MET 138.A O no hydrogen 3.313 N/A SER 142.A OG LEU 94.A O no hydrogen 2.832 N/A SER 142.A OG ASP 95.A OD1 no hydrogen 3.406 N/A SER 142.A OG MET 138.A O no hydrogen 3.569 N/A SER 142.A OG LEU 139.A O no hydrogen 3.538 N/A ASN 143.A N LYS 140.A O no hydrogen 2.993 N/A GLY 144.A N LEU 139.A O no hydrogen 2.717 N/A SER 145.A N ASP 95.A O no hydrogen 2.895 N/A SER 145.A OG SER 190.A OG no hydrogen 2.748 N/A ILE 146.A N SER 190.A O no hydrogen 2.809 N/A VAL 147.A N LEU 97.A O no hydrogen 2.759 N/A VAL 148.A N THR 192.A O no hydrogen 2.789 N/A VAL 149.A N LEU 99.A O no hydrogen 2.980 N/A SER 150.A N CYS 194.A O no hydrogen 2.808 N/A SER 151.A N SER 150.A OG no hydrogen 2.633 N/A LEU 152.A N LEU 196.A O no hydrogen 2.785 N/A ALA 153.A N SER 151.A OG no hydrogen 2.842 N/A GLY 154.A N SER 151.A O no hydrogen 2.725 N/A LYS 155.A N LEU 152.A O no hydrogen 2.855 N/A LYS 155.A NZ ASP 172.A OD2 no hydrogen 2.774 N/A LYS 155.A NZ GLU 236.A OE1 no hydrogen 2.967 N/A VAL 156.A N LEU 152.A O no hydrogen 2.886 N/A SER 165.A N VAL 161.A O no hydrogen 2.746 N/A SER 165.A OG.A VAL 161.A O no hydrogen 3.321 N/A SER 165.A OG.A ALA 162.A O no hydrogen 3.046 N/A SER 165.A OG.B VAL 161.A O no hydrogen 2.751 N/A ALA 166.A N ALA 162.A O no hydrogen 2.945 N/A SER 167.A N ALA 163.A O no hydrogen 3.160 N/A SER 167.A OG TYR 164.A O no hydrogen 2.825 N/A LYS 168.A N TYR 164.A O no hydrogen 3.151 N/A LYS 168.A NZ VAL 149.A O no hydrogen 3.058 N/A PHE 169.A N SER 165.A O no hydrogen 2.761 N/A ALA 170.A N ALA 166.A O no hydrogen 2.914 N/A LEU 171.A N SER 167.A O no hydrogen 3.177 N/A ASP 172.A N LYS 168.A O no hydrogen 3.396 N/A GLY 173.A N PHE 169.A O no hydrogen 3.079 N/A PHE 174.A N ALA 170.A O no hydrogen 2.853 N/A PHE 175.A N LEU 171.A O no hydrogen 2.914 N/A SER 176.A N ASP 172.A O no hydrogen 2.852 N/A SER 176.A OG ASP 172.A O no hydrogen 3.079 N/A SER 176.A OG ASP 172.A OD1 no hydrogen 2.764 N/A SER 177.A N GLY 173.A O no hydrogen 3.311 N/A SER 177.A OG.B GLY 173.A O no hydrogen 3.033 N/A ILE 178.A N PHE 174.A O no hydrogen 3.071 N/A ARG 179.A N PHE 175.A O no hydrogen 3.037 N/A ARG 179.A NE GLN 1.A OE1 no hydrogen 3.371 N/A ARG 179.A NE ILE 191.A O no hydrogen 3.160 N/A ARG 179.A NH2 ILE 191.A O no hydrogen 2.842 N/A LYS 180.A N SER 176.A O no hydrogen 3.368 N/A LYS 180.A NZ GLU 258.A OE2 no hydrogen 2.898 N/A GLU 181.A N SER 177.A O no hydrogen 3.121 N/A TYR 182.A N ILE 178.A O no hydrogen 2.809 N/A SER 183.A N ARG 179.A O no hydrogen 3.195 N/A SER 183.A OG ARG 179.A O no hydrogen 3.134 N/A VAL 184.A N LYS 180.A O no hydrogen 3.197 N/A SER 185.A N GLU 181.A O no hydrogen 2.970 N/A SER 185.A OG GLU 181.A O no hydrogen 3.355 N/A ARG 186.A N SER 183.A O no hydrogen 3.335 N/A VAL 187.A N TYR 182.A O no hydrogen 2.797 N/A SER 190.A N GLY 144.A O no hydrogen 3.084 N/A ILE 191.A N GLN 1.A OE1 no hydrogen 2.811 N/A THR 192.A N ILE 146.A O no hydrogen 2.866 N/A THR 192.A OG1 GLN 234.A O no hydrogen 2.719 N/A LEU 193.A N GLU 235.A O no hydrogen 2.884 N/A CYS 194.A N VAL 148.A O no hydrogen 2.918 N/A CYS 194.A SG VAL 148.A O no hydrogen 3.910 N/A VAL 195.A N VAL 237.A O no hydrogen 2.657 N/A GLY 197.A N TYR 239.A O no hydrogen 2.867 N/A ASP 200.A N ALA 217.A O no hydrogen 2.881 N/A THR 201.A N ILE 199.A O no hydrogen 2.839 N/A MET 205.A N THR 201.A O no hydrogen 2.671 N/A LYS 206.A N GLU 202.A O no hydrogen 2.786 N/A ALA 207.A N THR 203.A O no hydrogen 3.128 N/A VAL 208.A N ALA 204.A O no hydrogen 3.119 N/A SER 209.A N LYS 206.A O no hydrogen 3.164 N/A SER 209.A OG MET 205.A O no hydrogen 3.351 N/A ILE 211.A N VAL 208.A O no hydrogen 2.821 N/A ALA 217.A N LEU 198.A O no hydrogen 2.920 N/A LYS 219.A N ASP 200.A OD2 no hydrogen 2.894 N/A LYS 219.A NZ GLU 220.A OE2 no hydrogen 3.400 N/A GLU 220.A N GLU 220.A OE1 no hydrogen 2.940 N/A CYS 222.A N PRO 218.A O no hydrogen 3.014 N/A ALA 223.A N LYS 219.A O no hydrogen 3.033 N/A LEU 224.A N GLU 220.A O no hydrogen 3.204 N/A GLU 225.A N GLU 221.A O no hydrogen 2.879 N/A ILE 226.A N CYS 222.A O no hydrogen 3.203 N/A ILE 227.A N ALA 223.A O no hydrogen 3.239 N/A LYS 228.A N LEU 224.A O no hydrogen 2.890 N/A LYS 228.A NZ GLU 225.A OE1 no hydrogen 2.779 N/A GLY 229.A N GLU 225.A O no hydrogen 3.100 N/A GLY 230.A N ILE 226.A O no hydrogen 2.986 N/A ALA 231.A N ILE 227.A O no hydrogen 2.812 N/A LEU 232.A N LYS 228.A O no hydrogen 2.787 N/A ARG 233.A N GLY 230.A O no hydrogen 3.113 N/A ARG 233.A NH1 ASN 143.A O no hydrogen 2.895 N/A ARG 233.A NH2 ASN 143.A O no hydrogen 3.543 N/A ARG 233.A NH2 ASN 188.A O no hydrogen 2.919 N/A GLN 234.A N GLY 229.A O no hydrogen 3.074 N/A VAL 237.A N LEU 193.A O no hydrogen 2.929 N/A TYR 238.A OH GLU 236.A OE2 no hydrogen 2.522 N/A TYR 239.A N VAL 195.A O no hydrogen 2.956 N/A TYR 239.A OH GLU 221.A OE1 no hydrogen 2.473 N/A SER 241.A OG GLN 215.A O no hydrogen 3.457 N/A SER 241.A OG GLN 215.A OE1 no hydrogen 2.912 N/A SER 242.A N ASP 240.A OD1 no hydrogen 2.816 N/A THR 246.A N SER 242.A O no hydrogen 3.093 N/A THR 246.A OG1 SER 242.A O no hydrogen 2.934 N/A LEU 247.A N LEU 243.A O no hydrogen 3.156 N/A LEU 247.A N TRP 244.A O no hydrogen 3.003 N/A LEU 248.A N TRP 244.A O no hydrogen 2.925 N/A ILE 249.A N THR 245.A O no hydrogen 3.103 N/A SER 253.A OG ASN 251.A OD1 no hydrogen 3.287 N/A ARG 254.A N ASN 251.A OD1 no hydrogen 3.247 N/A ARG 254.A NE GLU 258.A OE1 no hydrogen 2.986 N/A ARG 254.A NH1 ASP 172.A OD1 no hydrogen 3.340 N/A ARG 254.A NH1 ASP 172.A OD2 no hydrogen 2.923 N/A ARG 254.A NH2 ASP 172.A OD1 no hydrogen 3.010 N/A ILE 256.A N PRO 252.A O no hydrogen 3.058 N/A LEU 257.A N SER 253.A O no hydrogen 2.918 N/A GLU 258.A N ARG 254.A O no hydrogen 2.914 N/A PHE 259.A N LYS 255.A O no hydrogen 3.217 N/A LEU 260.A N ILE 256.A O no hydrogen 2.933 N/A TYR 261.A N LEU 257.A O no hydrogen 2.980 N/A SER 262.A N GLU 258.A O no hydrogen 3.037 N/A SER 262.A OG GLU 258.A O no hydrogen 3.458 N/A SER 262.A OG PHE 259.A O no hydrogen 2.620 N/A THR 263.A N LEU 260.A O no hydrogen 3.188 N/A THR 263.A OG1 PHE 259.A O no hydrogen 2.957 N/A THR 263.A OG1 LEU 260.A O no hydrogen 3.339 N/A SER 264.A N TYR 261.A O no hydrogen 3.451 N/A SER 264.A OG LEU 260.A O no hydrogen 2.499 N/A TYR 265.A N ARG 269.A O no hydrogen 2.977 N/A ASP 268.A N ASN 266.A O no hydrogen 3.032 N/A ARG 269.A N TYR 265.A O no hydrogen 2.860 N/A ILE 271.A N THR 263.A O no hydrogen 3.132 N/A