Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qtl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A NE2 LEU 74.A O no hydrogen 2.525 N/A GLN 2.A NE2 THR 78.A O no hydrogen 2.591 N/A THR 3.A N GLY 79.A O no hydrogen 2.828 N/A TYR 6.A OH ALA 197.A O no hydrogen 2.580 N/A ILE 8.A N PRO 5.A O no hydrogen 3.133 N/A LEU 10.A N TYR 6.A O no hydrogen 3.095 N/A ILE 11.A N GLY 7.A O no hydrogen 3.319 N/A LYS 12.A N PRO 9.A O no hydrogen 2.858 N/A ALA 13.A N ILE 8.A O no hydrogen 2.865 N/A LYS 15.A N ASP 14.A OD1 no hydrogen 2.717 N/A GLN 17.A N ALA 13.A O no hydrogen 2.991 N/A GLN 17.A NE2 GLY 82.A O no hydrogen 3.022 N/A GLN 17.A NE2 VAL 83.A O no hydrogen 2.931 N/A ALA 18.A N ASP 14.A O no hydrogen 2.713 N/A GLN 19.A N VAL 16.A O no hydrogen 2.949 N/A GLY 20.A N GLN 17.A O no hydrogen 2.769 N/A PHE 21.A N VAL 16.A O no hydrogen 3.446 N/A GLY 23.A N SER 230.A OG no hydrogen 3.054 N/A VAL 26.A N GLY 23.A O no hydrogen 2.974 N/A LYS 27.A N ASP 119.A OD2 no hydrogen 3.198 N/A VAL 28.A N SER 88.A O no hydrogen 2.873 N/A ALA 29.A N VAL 120.A O no hydrogen 2.943 N/A VAL 30.A N TYR 90.A O no hydrogen 3.048 N/A LEU 31.A N ASN 122.A O no hydrogen 3.099 N/A ASP 32.A N VAL 92.A O no hydrogen 3.070 N/A THR 33.A N ASP 32.A OD1 no hydrogen 2.906 N/A THR 33.A OG1 ASP 32.A OD1 no hydrogen 3.532 N/A THR 33.A OG1 ASP 59.A OD1 no hydrogen 2.802 N/A ILE 35.A N TYR 56.A O no hydrogen 3.454 N/A GLN 36.A N THR 65.A OG1 no hydrogen 3.056 N/A ALA 37.A N ASN 57.A O no hydrogen 3.375 N/A SER 38.A OG GLN 36.A OE1 no hydrogen 3.538 N/A HIS 39.A N GLN 36.A O no hydrogen 3.225 N/A HIS 39.A NE2 THR 207.A O no hydrogen 2.750 N/A ASP 41.A N HIS 39.A ND1 no hydrogen 3.186 N/A LEU 42.A N HIS 39.A O no hydrogen 3.117 N/A VAL 45.A N LEU 89.A O no hydrogen 2.774 N/A ALA 48.A N ALA 91.A O no hydrogen 3.025 N/A SER 49.A OG GLU 54.A O no hydrogen 2.553 N/A PHE 50.A N LYS 93.A O no hydrogen 3.046 N/A VAL 51.A N SER 49.A OG no hydrogen 3.332 N/A GLU 54.A N VAL 51.A O no hydrogen 3.039 N/A ASN 61.A N ASP 59.A OD1 no hydrogen 2.816 N/A GLY 62.A N ASP 59.A OD1 no hydrogen 2.873 N/A GLY 62.A N ASP 59.A OD2 no hydrogen 3.204 N/A HIS 63.A ND1 ASP 32.A OD1 no hydrogen 2.561 N/A HIS 63.A NE2 SER 215.A OG no hydrogen 2.625 N/A GLY 64.A N THR 33.A OG1 no hydrogen 2.972 N/A THR 65.A N ASP 59.A OD2 no hydrogen 3.033 N/A THR 65.A OG1 ASP 59.A OD2 no hydrogen 2.647 N/A HIS 66.A N GLY 62.A O no hydrogen 3.150 N/A HIS 66.A NE2 ALA 209.A O no hydrogen 3.152 N/A VAL 67.A N HIS 63.A O no hydrogen 3.095 N/A ALA 68.A N GLY 64.A O no hydrogen 3.079 N/A GLY 69.A N THR 65.A O no hydrogen 3.024 N/A THR 70.A N HIS 66.A O no hydrogen 3.166 N/A THR 70.A OG1 HIS 66.A O no hydrogen 3.539 N/A VAL 71.A N VAL 67.A O no hydrogen 3.201 N/A ALA 72.A N ALA 68.A O no hydrogen 2.775 N/A ALA 73.A N GLY 69.A O no hydrogen 2.841 N/A LEU 74.A N ASP 41.A O no hydrogen 2.725 N/A VAL 80.A N ASP 41.A OD2 no hydrogen 2.832 N/A GLY 82.A N ALA 73.A O no hydrogen 2.960 N/A VAL 83.A N THR 70.A O no hydrogen 2.912 N/A ALA 84.A N VAL 71.A O no hydrogen 2.861 N/A SER 86.A N LYS 22.A O no hydrogen 3.006 N/A VAL 87.A N ALA 84.A O no hydrogen 3.100 N/A SER 88.A N VAL 26.A O no hydrogen 2.795 N/A TYR 90.A N VAL 28.A O no hydrogen 2.929 N/A ALA 91.A N GLY 46.A O no hydrogen 2.902 N/A VAL 92.A N VAL 30.A O no hydrogen 3.217 N/A LYS 93.A N ALA 48.A O no hydrogen 3.068 N/A LYS 93.A NZ GLU 54.A OE1 no hydrogen 2.788 N/A LYS 93.A NZ ALA 55.A O no hydrogen 3.083 N/A LYS 93.A NZ THR 58.A O no hydrogen 2.819 N/A LYS 93.A NZ THR 58.A OG1 no hydrogen 3.304 N/A VAL 94.A N ASP 32.A O no hydrogen 2.847 N/A LEU 95.A N ASP 32.A O no hydrogen 3.185 N/A ASN 96.A N SER 100.A O no hydrogen 2.891 N/A GLY 99.A N ASN 96.A O no hydrogen 2.772 N/A SER 100.A OG ASN 96.A OD1 no hydrogen 3.105 N/A SER 102.A OG SER 104.A OG no hydrogen 3.400 N/A TYR 103.A OH SER 129.A O no hydrogen 2.554 N/A SER 104.A OG SER 102.A OG no hydrogen 3.400 N/A GLY 105.A N SER 102.A OG no hydrogen 3.056 N/A ILE 106.A N SER 102.A O no hydrogen 2.912 N/A VAL 107.A N TYR 103.A O no hydrogen 2.816 N/A SER 108.A N SER 104.A O no hydrogen 2.865 N/A SER 108.A OG SER 104.A O no hydrogen 3.051 N/A GLY 109.A N GLY 105.A O no hydrogen 3.229 N/A ILE 110.A N ILE 106.A O no hydrogen 3.008 N/A GLU 111.A N VAL 107.A O no hydrogen 2.920 N/A TRP 112.A N SER 108.A O no hydrogen 2.940 N/A ALA 113.A N GLY 109.A O no hydrogen 3.014 N/A THR 114.A N ILE 110.A O no hydrogen 2.938 N/A THR 114.A OG1 ILE 110.A O no hydrogen 3.197 N/A THR 115.A N GLU 111.A O no hydrogen 2.965 N/A THR 115.A OG1 GLU 111.A O no hydrogen 2.827 N/A ASN 116.A N TRP 112.A O no hydrogen 2.952 N/A ASN 116.A ND2 TRP 112.A O no hydrogen 2.398 N/A MET 118.A N ALA 113.A O no hydrogen 3.093 N/A ASP 119.A N LYS 27.A O no hydrogen 2.830 N/A VAL 120.A N LYS 27.A O no hydrogen 3.168 N/A ILE 121.A N VAL 147.A O no hydrogen 2.866 N/A ASN 122.A N ALA 29.A O no hydrogen 2.904 N/A ASN 122.A ND2 SER 124.A OG no hydrogen 3.210 N/A MET 123.A N VAL 149.A O no hydrogen 2.780 N/A SER 124.A OG SER 215.A O no hydrogen 2.690 N/A GLY 127.A N TYR 161.A O no hydrogen 2.906 N/A SER 131.A N TYR 165.A OH no hydrogen 3.057 N/A MET 134.A N SER 131.A OG no hydrogen 2.982 N/A LYS 135.A N SER 131.A O no hydrogen 2.888 N/A LYS 135.A NZ ASP 139.A OD2 no hydrogen 2.994 N/A GLN 136.A N THR 132.A O no hydrogen 2.818 N/A ALA 137.A N ALA 133.A O no hydrogen 2.848 N/A VAL 138.A N MET 134.A O no hydrogen 2.964 N/A ASP 139.A N LYS 135.A O no hydrogen 3.085 N/A ASN 140.A N GLN 136.A O no hydrogen 3.099 N/A ALA 141.A N ALA 137.A O no hydrogen 2.933 N/A TYR 142.A N VAL 138.A O no hydrogen 2.922 N/A ALA 143.A N ASP 139.A O no hydrogen 2.872 N/A ARG 144.A N ASN 140.A O no hydrogen 3.049 N/A ARG 144.A N ALA 141.A O no hydrogen 3.129 N/A GLY 145.A N TYR 142.A O no hydrogen 2.996 N/A VAL 146.A N ALA 141.A O no hydrogen 2.956 N/A VAL 147.A N ASP 119.A O no hydrogen 2.898 N/A VAL 149.A N ILE 121.A O no hydrogen 2.842 N/A ALA 150.A N ILE 169.A O no hydrogen 2.990 N/A ALA 151.A N MET 123.A O no hydrogen 3.154 N/A ALA 152.A N VAL 171.A O no hydrogen 2.714 N/A GLY 153.A N THR 214.A OG1 no hydrogen 3.219 N/A GLY 156.A N SER 185.A OG no hydrogen 3.034 N/A ASN 157.A ND2 GLU 189.A OE1 no hydrogen 3.453 N/A TYR 161.A N GLY 127.A O no hydrogen 3.061 N/A LYS 164.A N GLY 160.A O no hydrogen 2.685 N/A TYR 165.A N PRO 162.A O no hydrogen 3.249 N/A SER 167.A OG ASP 139.A OD1 no hydrogen 2.765 N/A VAL 168.A N TYR 165.A O no hydrogen 3.119 N/A ILE 169.A N VAL 148.A O no hydrogen 2.865 N/A VAL 171.A N ALA 150.A O no hydrogen 2.994 N/A GLY 172.A N VAL 192.A O no hydrogen 2.828 N/A ALA 173.A N SER 184.A OG no hydrogen 3.015 N/A VAL 174.A N ALA 194.A O no hydrogen 2.914 N/A ASP 175.A N ASN 179.A O no hydrogen 2.899 N/A ASN 177.A N ASP 175.A OD1 no hydrogen 2.769 N/A SER 178.A N ASP 175.A O no hydrogen 2.861 N/A ASN 179.A N ASP 175.A OD1 no hydrogen 3.121 N/A ARG 180.A NH2 SER 184.A O no hydrogen 3.038 N/A ALA 181.A N ALA 173.A O no hydrogen 3.058 N/A SER 184.A N ALA 181.A O no hydrogen 2.836 N/A SER 185.A N GLY 153.A O no hydrogen 3.023 N/A SER 185.A OG ALA 152.A O no hydrogen 3.542 N/A SER 185.A OG GLY 153.A O no hydrogen 2.887 N/A SER 185.A OG THR 158.A O no hydrogen 3.458 N/A VAL 186.A N GLY 156.A O no hydrogen 3.139 N/A GLY 187.A N PHE 255.A O no hydrogen 3.013 N/A ALA 188.A N ASN 157.A OD1 no hydrogen 3.505 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.892 N/A GLU 191.A N ALA 170.A O no hydrogen 2.907 N/A VAL 192.A N ALA 170.A O no hydrogen 3.250 N/A MET 193.A N GLY 260.A O no hydrogen 3.182 N/A ALA 194.A N GLY 172.A O no hydrogen 2.923 N/A GLY 196.A N VAL 174.A O no hydrogen 3.044 N/A GLY 198.A N ASN 212.A OD1 no hydrogen 2.663 N/A VAL 199.A N LEU 211.A O no hydrogen 3.040 N/A SER 201.A N ALA 209.A O no hydrogen 2.835 N/A SER 201.A OG HIS 66.A O no hydrogen 2.808 N/A THR 202.A OG1 THR 65.A O no hydrogen 2.745 N/A TYR 203.A N THR 207.A O no hydrogen 2.823 N/A ASN 206.A N GLN 36.A OE1 no hydrogen 3.334 N/A THR 207.A N TYR 203.A O no hydrogen 3.152 N/A TYR 208.A N THR 207.A OG1 no hydrogen 2.664 N/A ALA 209.A N SER 201.A O no hydrogen 2.831 N/A LEU 211.A N VAL 199.A O no hydrogen 2.844 N/A GLY 213.A N GLY 196.A O no hydrogen 2.826 N/A THR 214.A N ASN 154.A OD1 no hydrogen 2.821 N/A THR 214.A OG1 ASN 154.A OD1 no hydrogen 2.872 N/A SER 215.A OG HIS 63.A NE2 no hydrogen 2.625 N/A MET 216.A N GLY 213.A O no hydrogen 2.917 N/A ALA 217.A N THR 214.A O no hydrogen 3.230 N/A SER 218.A N THR 214.A O no hydrogen 3.008 N/A SER 218.A OG ASN 122.A OD1 no hydrogen 2.800 N/A HIS 220.A N ALA 217.A O no hydrogen 3.015 N/A HIS 220.A ND1 MET 216.A O no hydrogen 2.906 N/A ALA 222.A N SER 218.A O no hydrogen 3.030 N/A GLY 223.A N PRO 219.A O no hydrogen 2.775 N/A ALA 224.A N HIS 220.A O no hydrogen 2.736 N/A ALA 225.A N VAL 221.A O no hydrogen 2.920 N/A ALA 225.A N ALA 222.A O no hydrogen 3.220 N/A ALA 226.A N ALA 222.A O no hydrogen 3.241 N/A LEU 227.A N GLY 223.A O no hydrogen 3.051 N/A ILE 228.A N ALA 224.A O no hydrogen 3.188 N/A LEU 229.A N ALA 225.A O no hydrogen 3.027 N/A SER 230.A N ALA 226.A O no hydrogen 2.907 N/A SER 230.A OG LEU 227.A O no hydrogen 2.871 N/A LYS 231.A N LEU 227.A O no hydrogen 3.265 N/A LYS 231.A N ILE 228.A O no hydrogen 3.227 N/A LYS 231.A NZ GLN 19.A OE1 no hydrogen 3.095 N/A LYS 231.A NZ ALA 268.A O no hydrogen 2.760 N/A HIS 232.A N ILE 228.A O no hydrogen 2.721 N/A LEU 235.A N HIS 232.A O no hydrogen 3.162 N/A SER 236.A OG SER 238.A OG no hydrogen 3.224 N/A SER 238.A OG SER 236.A OG no hydrogen 3.224 N/A GLN 239.A N SER 236.A OG no hydrogen 3.099 N/A VAL 240.A N SER 236.A O no hydrogen 3.025 N/A ARG 241.A N ALA 237.A O no hydrogen 3.019 N/A ARG 241.A NE GLU 191.A OE2 no hydrogen 2.652 N/A ARG 241.A NH1 ASP 166.A O no hydrogen 2.789 N/A ARG 241.A NH2 ASP 166.A O no hydrogen 2.917 N/A ARG 241.A NH2 GLU 191.A OE1 no hydrogen 2.816 N/A ARG 241.A NH2 GLU 191.A OE2 no hydrogen 3.394 N/A ASN 242.A N SER 238.A O no hydrogen 2.899 N/A ARG 243.A N GLN 239.A O no hydrogen 2.873 N/A LEU 244.A N VAL 240.A O no hydrogen 2.996 N/A LEU 244.A N ARG 241.A O no hydrogen 3.042 N/A SER 245.A N ARG 241.A O no hydrogen 3.283 N/A SER 245.A OG ARG 241.A O no hydrogen 3.385 N/A SER 245.A OG ASN 242.A O no hydrogen 3.444 N/A SER 246.A N ASN 242.A O no hydrogen 2.866 N/A SER 246.A OG ASN 242.A O no hydrogen 2.838 N/A THR 247.A OG1 ARG 243.A O no hydrogen 2.750 N/A ALA 248.A N SER 245.A O no hydrogen 3.218 N/A THR 249.A N LEU 261.A O no hydrogen 2.808 N/A TYR 256.A N SER 253.A O no hydrogen 3.006 N/A TYR 257.A N SER 253.A O no hydrogen 2.884 N/A GLY 258.A N SER 254.A O no hydrogen 2.892 N/A LYS 259.A N GLU 191.A O no hydrogen 2.835 N/A GLY 260.A N TYR 257.A O no hydrogen 2.804 N/A ILE 262.A N MET 193.A O no hydrogen 3.167 N/A VAL 264.A N ILE 11.A O no hydrogen 3.056 N/A ALA 266.A N ASN 263.A OD1 no hydrogen 3.050 N/A ALA 267.A N ASN 263.A O no hydrogen 2.804 N/A GLN 269.A N ALA 266.A O no hydrogen 3.102 N/A