Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLU 235.A OE1 no hydrogen 2.787 N/A GLN 1.A NE2 ILE 191.A O no hydrogen 2.766 N/A GLN 1.A NE2 ARG 233.A O no hydrogen 3.089 N/A LEU 4.A N LEU 232.A O no hydrogen 2.855 N/A ARG 9.A NH1 GLU 6.A OE2 no hydrogen 3.482 N/A MET 12.A N ARG 9.A O no hydrogen 2.877 N/A LEU 13.A N PRO 10.A O no hydrogen 3.474 N/A GLN 14.A N GLU 11.A O no hydrogen 3.293 N/A GLY 15.A N GLY 39.A O no hydrogen 2.791 N/A LYS 16.A N LEU 13.A O no hydrogen 2.949 N/A LYS 16.A NZ MET 12.A O no hydrogen 2.748 N/A LYS 17.A N ASP 95.A OD2 no hydrogen 2.664 N/A LYS 17.A NZ MET 91.A O no hydrogen 3.337 N/A LYS 17.A NZ GLY 92.A O no hydrogen 2.979 N/A VAL 18.A N HIS 41.A O no hydrogen 2.879 N/A ILE 19.A N MET 96.A O no hydrogen 3.034 N/A VAL 20.A N VAL 43.A O no hydrogen 2.784 N/A THR 21.A N ILE 98.A O no hydrogen 3.109 N/A THR 21.A OG1 HIS 101.A ND1 no hydrogen 2.796 N/A ALA 23.A N THR 45.A O no hydrogen 2.945 N/A ARG 29.A N LYS 25.A O no hydrogen 3.135 N/A GLU 30.A N GLY 26.A O no hydrogen 3.445 N/A MET 31.A N ILE 27.A O no hydrogen 2.922 N/A ALA 32.A N GLY 28.A O no hydrogen 2.914 N/A TYR 33.A N ARG 29.A O no hydrogen 2.902 N/A HIS 34.A N GLU 30.A O no hydrogen 2.976 N/A HIS 34.A NE2 GLU 220.A O no hydrogen 2.725 N/A LEU 35.A N MET 31.A O no hydrogen 2.957 N/A ALA 36.A N ALA 32.A O no hydrogen 2.850 N/A LYS 37.A N TYR 33.A O no hydrogen 3.043 N/A MET 38.A N HIS 34.A O no hydrogen 3.131 N/A GLY 39.A N ALA 36.A O no hydrogen 2.872 N/A ALA 40.A N LEU 35.A O no hydrogen 2.882 N/A HIS 41.A N LYS 16.A O no hydrogen 2.715 N/A HIS 41.A ND1 SER 66.A OG no hydrogen 2.649 N/A VAL 42.A N SER 66.A O no hydrogen 3.004 N/A VAL 43.A N VAL 18.A O no hydrogen 2.935 N/A VAL 44.A N HIS 68.A O no hydrogen 2.817 N/A THR 45.A N VAL 20.A O no hydrogen 3.147 N/A THR 45.A OG1 ILE 70.A O no hydrogen 2.456 N/A SER 48.A OG.A GLU 50.A OE2 no hydrogen 3.197 N/A LYS 49.A NZ GLU 50.A OE1 no hydrogen 3.224 N/A THR 51.A OG1 SER 48.A O no hydrogen 3.115 N/A LEU 52.A N SER 48.A O no hydrogen 3.050 N/A GLN 53.A N LYS 49.A O no hydrogen 2.794 N/A GLN 53.A NE2 TYR 69.A OH no hydrogen 2.969 N/A VAL 55.A N THR 51.A O no hydrogen 3.286 N/A VAL 56.A N LEU 52.A O no hydrogen 2.972 N/A SER 57.A N GLN 53.A O no hydrogen 3.078 N/A SER 57.A OG.B GLN 53.A O no hydrogen 3.437 N/A SER 57.A OG.B LYS 54.A O no hydrogen 2.702 N/A HIS 58.A N LYS 54.A O no hydrogen 3.005 N/A HIS 58.A ND1 GLU 61.A OE1 no hydrogen 3.145 N/A CYS 59.A N VAL 55.A O no hydrogen 2.857 N/A CYS 59.A SG VAL 55.A O no hydrogen 3.157 N/A LEU 60.A N VAL 56.A O no hydrogen 3.067 N/A GLU 61.A N SER 57.A O no hydrogen 3.131 N/A LEU 62.A N HIS 58.A O no hydrogen 2.865 N/A GLY 63.A N LEU 60.A O no hydrogen 3.070 N/A ALA 64.A N CYS 59.A O no hydrogen 3.147 N/A ALA 65.A N ALA 40.A O no hydrogen 3.038 N/A SER 66.A OG HIS 41.A ND1 no hydrogen 2.649 N/A HIS 68.A N VAL 42.A O no hydrogen 3.131 N/A ILE 70.A N VAL 44.A O no hydrogen 3.032 N/A GLY 72.A N ALA 46.A O no hydrogen 3.054 N/A GLU 75.A N THR 73.A OG1 no hydrogen 3.283 N/A ASP 76.A N THR 73.A O no hydrogen 3.040 N/A THR 78.A N ASP 76.A OD1 no hydrogen 2.912 N/A PHE 79.A N ASP 76.A OD1 no hydrogen 3.343 N/A ALA 80.A N ASP 76.A O no hydrogen 3.152 N/A GLU 81.A N MET 77.A O no hydrogen 3.160 N/A GLN 82.A N THR 78.A O no hydrogen 3.049 N/A PHE 83.A N PHE 79.A O no hydrogen 2.668 N/A VAL 84.A N ALA 80.A O no hydrogen 3.407 N/A ALA 85.A N GLU 81.A O no hydrogen 3.446 N/A GLN 86.A N GLN 82.A O no hydrogen 2.951 N/A ALA 87.A N PHE 83.A O no hydrogen 2.886 N/A GLY 88.A N VAL 84.A O no hydrogen 2.934 N/A LYS 89.A N ALA 85.A O no hydrogen 2.756 N/A LEU 90.A N GLN 86.A O no hydrogen 2.825 N/A MET 91.A N ALA 87.A O no hydrogen 3.084 N/A GLY 93.A N GLY 88.A O no hydrogen 2.891 N/A ASP 95.A N LYS 17.A O no hydrogen 2.872 N/A MET 96.A N LYS 17.A O no hydrogen 3.134 N/A LEU 97.A N SER 145.A O no hydrogen 3.026 N/A ILE 98.A N ILE 19.A O no hydrogen 2.977 N/A LEU 99.A N VAL 147.A O no hydrogen 2.744 N/A ASN 100.A N THR 21.A OG1 no hydrogen 2.989 N/A HIS 101.A N THR 21.A OG1 no hydrogen 3.307 N/A HIS 101.A ND1 THR 21.A OG1 no hydrogen 2.796 N/A HIS 101.A NE2 VAL 123.A O no hydrogen 2.923 N/A HIS 101.A NE2 SER 127.A OG no hydrogen 2.507 N/A THR 103.A N ASN 124.A OD1 no hydrogen 2.893 N/A THR 105.A OG1.B THR 103.A O no hydrogen 2.715 N/A SER 106.A OG ASN 108.A OD1 no hydrogen 3.485 N/A ASN 108.A N MET 160.A O no hydrogen 3.053 N/A HIS 111.A N ASP 113.A OD1 no hydrogen 2.690 N/A HIS 111.A ND1 LEU 109.A O no hydrogen 2.926 N/A HIS 116.A N ASP 113.A O no hydrogen 2.968 N/A VAL 117.A N ASP 113.A O no hydrogen 3.322 N/A ARG 118.A N ILE 114.A O no hydrogen 2.804 N/A LYS 119.A N HIS 115.A O no hydrogen 2.912 N/A LYS 119.A NZ GLU 75.A OE1 no hydrogen 3.554 N/A SER 120.A N HIS 116.A O no hydrogen 2.988 N/A SER 120.A OG HIS 116.A O no hydrogen 2.811 N/A MET 121.A N VAL 117.A O no hydrogen 3.038 N/A GLU 122.A N ARG 118.A O no hydrogen 2.938 N/A VAL 123.A N LYS 119.A O no hydrogen 2.854 N/A ASN 124.A N SER 120.A O no hydrogen 2.922 N/A ASN 124.A ND2 SER 167.A OG no hydrogen 3.420 N/A PHE 125.A N MET 121.A O no hydrogen 3.215 N/A LEU 126.A N MET 121.A O no hydrogen 2.806 N/A SER 127.A N GLU 122.A O no hydrogen 2.775 N/A SER 127.A OG HIS 101.A NE2 no hydrogen 2.507 N/A SER 127.A OG VAL 123.A O no hydrogen 2.436 N/A TYR 128.A OH HIS 101.A O no hydrogen 2.629 N/A VAL 129.A N PHE 125.A O no hydrogen 3.292 N/A VAL 130.A N LEU 126.A O no hydrogen 2.992 N/A LEU 131.A N SER 127.A O no hydrogen 2.961 N/A THR 132.A N TYR 128.A O no hydrogen 3.042 N/A THR 132.A OG1 TYR 128.A O no hydrogen 2.800 N/A VAL 133.A N VAL 129.A O no hydrogen 2.846 N/A ALA 134.A N VAL 130.A O no hydrogen 2.988 N/A ALA 135.A N THR 132.A O no hydrogen 3.109 N/A LEU 139.A N ALA 135.A O no hydrogen 3.060 N/A LYS 140.A N LEU 136.A O no hydrogen 2.677 N/A GLN 141.A N PRO 137.A O no hydrogen 3.300 N/A SER 142.A N MET 138.A O no hydrogen 3.367 N/A SER 142.A OG LEU 94.A O no hydrogen 2.714 N/A SER 142.A OG MET 138.A O no hydrogen 3.346 N/A GLY 144.A N LEU 139.A O no hydrogen 2.792 N/A SER 145.A N ASP 95.A O no hydrogen 2.873 N/A SER 145.A OG SER 190.A OG no hydrogen 2.689 N/A SER 145.A OG GLY 230.A O no hydrogen 3.534 N/A ILE 146.A N SER 190.A O no hydrogen 2.717 N/A VAL 147.A N LEU 97.A O no hydrogen 2.851 N/A VAL 148.A N THR 192.A O no hydrogen 2.730 N/A VAL 149.A N LEU 99.A O no hydrogen 2.915 N/A SER 150.A N CYS 194.A O no hydrogen 2.748 N/A SER 151.A N SER 150.A OG no hydrogen 2.726 N/A LEU 152.A N LEU 196.A O no hydrogen 3.116 N/A ALA 153.A N SER 151.A OG no hydrogen 3.108 N/A GLY 154.A N SER 151.A O no hydrogen 2.794 N/A LYS 155.A N LEU 152.A O no hydrogen 3.055 N/A LYS 155.A NZ ASP 172.A OD1 no hydrogen 3.240 N/A LYS 155.A NZ ASP 172.A OD2 no hydrogen 2.797 N/A LYS 155.A NZ GLU 236.A OE1 no hydrogen 2.741 N/A VAL 156.A N LEU 152.A O no hydrogen 2.857 N/A SER 165.A N VAL 161.A O no hydrogen 2.720 N/A SER 165.A OG VAL 161.A O no hydrogen 2.416 N/A ALA 166.A N ALA 162.A O no hydrogen 2.960 N/A SER 167.A N ALA 163.A O no hydrogen 3.324 N/A SER 167.A OG TYR 164.A O no hydrogen 2.640 N/A LYS 168.A N TYR 164.A O no hydrogen 3.145 N/A LYS 168.A NZ VAL 149.A O no hydrogen 2.642 N/A PHE 169.A N SER 165.A O no hydrogen 2.707 N/A ALA 170.A N ALA 166.A O no hydrogen 2.979 N/A LEU 171.A N SER 167.A O no hydrogen 3.149 N/A LEU 171.A N LYS 168.A O no hydrogen 3.263 N/A ASP 172.A N LYS 168.A O no hydrogen 3.440 N/A GLY 173.A N PHE 169.A O no hydrogen 3.068 N/A PHE 174.A N ALA 170.A O no hydrogen 2.951 N/A PHE 175.A N LEU 171.A O no hydrogen 2.846 N/A SER 176.A N ASP 172.A O no hydrogen 2.884 N/A SER 176.A OG ASP 172.A O no hydrogen 2.900 N/A SER 176.A OG ASP 172.A OD1 no hydrogen 2.706 N/A SER 177.A N GLY 173.A O no hydrogen 3.317 N/A SER 177.A OG.B GLY 173.A O no hydrogen 2.698 N/A ILE 178.A N PHE 174.A O no hydrogen 2.910 N/A ARG 179.A N PHE 175.A O no hydrogen 2.986 N/A ARG 179.A NE ILE 191.A O no hydrogen 3.271 N/A ARG 179.A NH2 ILE 191.A O no hydrogen 3.242 N/A LYS 180.A N SER 176.A O no hydrogen 3.436 N/A LYS 180.A NZ GLU 258.A OE2 no hydrogen 3.052 N/A GLU 181.A N SER 177.A O no hydrogen 3.196 N/A TYR 182.A N ILE 178.A O no hydrogen 2.784 N/A SER 183.A N ARG 179.A O no hydrogen 3.056 N/A VAL 184.A N LYS 180.A O no hydrogen 3.366 N/A SER 185.A N GLU 181.A O no hydrogen 2.869 N/A SER 185.A OG.B GLU 181.A O no hydrogen 2.672 N/A VAL 187.A N TYR 182.A O no hydrogen 2.778 N/A VAL 189.A N VAL 187.A O no hydrogen 2.858 N/A SER 190.A N GLY 144.A O no hydrogen 3.015 N/A SER 190.A OG GLY 144.A O no hydrogen 3.426 N/A ILE 191.A N GLN 1.A OE1 no hydrogen 2.829 N/A THR 192.A N ILE 146.A O no hydrogen 2.813 N/A THR 192.A OG1 GLN 234.A O no hydrogen 2.570 N/A LEU 193.A N GLU 235.A O no hydrogen 2.877 N/A CYS 194.A N VAL 148.A O no hydrogen 2.894 N/A CYS 194.A SG VAL 148.A O no hydrogen 3.950 N/A VAL 195.A N VAL 237.A O no hydrogen 2.601 N/A GLY 197.A N TYR 239.A O no hydrogen 3.015 N/A ASP 200.A N ALA 217.A O no hydrogen 2.962 N/A THR 201.A N ILE 199.A O no hydrogen 2.866 N/A ALA 204.A N THR 201.A OG1 no hydrogen 3.196 N/A MET 205.A N THR 201.A O no hydrogen 2.846 N/A LYS 206.A N GLU 202.A O no hydrogen 3.120 N/A LYS 206.A NZ GLU 202.A OE2 no hydrogen 2.881 N/A ALA 207.A N THR 203.A O no hydrogen 3.203 N/A VAL 208.A N ALA 204.A O no hydrogen 3.023 N/A MET 214.A N ILE 211.A O no hydrogen 3.047 N/A GLN 215.A N VAL 212.A O no hydrogen 3.085 N/A ALA 217.A N LEU 198.A O no hydrogen 2.925 N/A LYS 219.A N ASP 200.A OD2 no hydrogen 2.706 N/A LYS 219.A NZ ASP 200.A O no hydrogen 3.353 N/A CYS 222.A N PRO 218.A O no hydrogen 3.168 N/A ALA 223.A N LYS 219.A O no hydrogen 2.836 N/A LEU 224.A N GLU 220.A O no hydrogen 3.315 N/A GLU 225.A N GLU 221.A O no hydrogen 2.984 N/A ILE 226.A N CYS 222.A O no hydrogen 3.115 N/A ILE 227.A N ALA 223.A O no hydrogen 3.183 N/A LYS 228.A N LEU 224.A O no hydrogen 2.896 N/A LYS 228.A NZ GLU 225.A OE1 no hydrogen 2.886 N/A GLY 229.A N GLU 225.A O no hydrogen 2.860 N/A GLY 230.A N ILE 226.A O no hydrogen 2.923 N/A ALA 231.A N ILE 227.A O no hydrogen 2.848 N/A LEU 232.A N LYS 228.A O no hydrogen 2.870 N/A ARG 233.A N GLY 230.A O no hydrogen 3.382 N/A ARG 233.A NH1 ASN 143.A O no hydrogen 2.799 N/A ARG 233.A NH1 GLY 144.A O no hydrogen 3.471 N/A ARG 233.A NH2 GLY 144.A O no hydrogen 3.424 N/A ARG 233.A NH2 ASN 188.A O no hydrogen 3.075 N/A GLN 234.A N GLY 229.A O no hydrogen 3.162 N/A VAL 237.A N LEU 193.A O no hydrogen 2.744 N/A TYR 238.A OH GLU 236.A OE2 no hydrogen 2.332 N/A TYR 239.A N VAL 195.A O no hydrogen 3.049 N/A SER 241.A OG GLN 215.A O no hydrogen 3.014 N/A SER 241.A OG ASP 240.A OD1 no hydrogen 3.566 N/A SER 242.A N ASP 240.A OD1 no hydrogen 2.957 N/A SER 242.A OG THR 245.A OG1 no hydrogen 3.316 N/A THR 246.A OG1 LEU 243.A O no hydrogen 2.759 N/A LEU 247.A N LEU 243.A O no hydrogen 3.314 N/A LEU 248.A N TRP 244.A O no hydrogen 3.318 N/A LEU 248.A N THR 245.A O no hydrogen 3.250 N/A ARG 254.A NE GLU 258.A OE1 no hydrogen 2.685 N/A ARG 254.A NH1 ASP 172.A OD1 no hydrogen 3.433 N/A ARG 254.A NH1 ASP 172.A OD2 no hydrogen 2.754 N/A ARG 254.A NH2 ASP 172.A OD1 no hydrogen 2.928 N/A LYS 255.A N ASN 251.A O no hydrogen 3.283 N/A LYS 255.A NZ GLU 258.A OE2 no hydrogen 2.878 N/A ILE 256.A N PRO 252.A O no hydrogen 2.932 N/A LEU 257.A N SER 253.A O no hydrogen 2.970 N/A GLU 258.A N ARG 254.A O no hydrogen 2.834 N/A PHE 259.A N LYS 255.A O no hydrogen 3.090 N/A LEU 260.A N ILE 256.A O no hydrogen 2.788 N/A TYR 261.A N LEU 257.A O no hydrogen 2.912 N/A SER 262.A N PHE 259.A O no hydrogen 3.221 N/A SER 262.A OG PHE 259.A O no hydrogen 2.656 N/A THR 263.A N LEU 260.A O no hydrogen 3.374 N/A THR 263.A OG1 LEU 260.A O no hydrogen 2.810 N/A SER 264.A N TYR 261.A O no hydrogen 3.329 N/A ARG 269.A N MET 267.A O no hydrogen 2.595 N/A PHE 270.A N MET 267.A O no hydrogen 3.172 N/A