Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qr8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 5.A N PHE 2.A O no hydrogen 3.160 N/A TYR 6.A N PHE 2.A O no hydrogen 3.157 N/A TYR 6.A OH ASP 65.A OD1 no hydrogen 3.125 N/A GLU 7.A N ILE 24.A O no hydrogen 2.940 N/A LYS 9.A N ARG 22.A O no hydrogen 2.869 N/A ILE 12.A N CYS 20.A O no hydrogen 2.696 N/A GLY 15.A N SER 18.A O no hydrogen 3.302 N/A VAL 19.A N ILE 36.A O no hydrogen 2.838 N/A CYS 20.A N GLY 13.A O no hydrogen 2.739 N/A CYS 20.A SG.A VAL 34.A O no hydrogen 3.678 N/A LYS 21.A N VAL 34.A O no hydrogen 2.851 N/A ARG 22.A N GLU 10.A O no hydrogen 2.914 N/A ARG 22.A NE GLU 10.A OE2 no hydrogen 2.865 N/A ARG 22.A NH2 GLU 10.A OE2 no hydrogen 3.292 N/A CYS 23.A N PHE 32.A O no hydrogen 2.921 N/A ILE 24.A N GLU 7.A O no hydrogen 2.879 N/A HIS 25.A N MET 30.A O no hydrogen 2.784 N/A HIS 25.A ND1 THR 28.A OG1 no hydrogen 2.711 N/A LYS 26.A N GLY 5.A O no hydrogen 2.928 N/A LYS 26.A NZ THR 3.A O no hydrogen 2.484 N/A THR 28.A N HIS 25.A O no hydrogen 3.025 N/A THR 28.A OG1 HIS 25.A ND1 no hydrogen 2.711 N/A ASN 29.A N HIS 25.A O no hydrogen 2.786 N/A PHE 32.A N CYS 23.A O no hydrogen 2.914 N/A ALA 33.A N THR 77.A O no hydrogen 3.058 N/A VAL 34.A N LYS 21.A O no hydrogen 2.749 N/A LYS 35.A N VAL 75.A O no hydrogen 2.991 N/A LYS 35.A NZ GLU 47.A OE1 no hydrogen 3.271 N/A LYS 35.A NZ GLU 47.A OE2 no hydrogen 2.702 N/A ILE 36.A N VAL 19.A O no hydrogen 2.653 N/A ILE 37.A N VAL 73.A O no hydrogen 3.005 N/A LYS 39.A N LYS 71.A O no hydrogen 2.895 N/A LYS 39.A NZ ASP 68.A OD1 no hydrogen 3.305 N/A LYS 39.A NZ ASP 68.A OD2 no hydrogen 2.949 N/A LYS 39.A NZ GLY 70.A O no hydrogen 2.992 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.830 N/A SER 40.A OG ASP 38.A OD1 no hydrogen 2.315 N/A LYS 41.A N ASP 38.A O no hydrogen 3.068 N/A LYS 41.A N ASP 38.A OD1 no hydrogen 3.320 N/A ARG 42.A N ASP 38.A O no hydrogen 3.029 N/A ARG 42.A NH1 GLU 47.A OE1 no hydrogen 3.171 N/A ARG 42.A NH2 GLU 47.A OE1 no hydrogen 3.118 N/A ARG 42.A NH2 GLY 147.A O no hydrogen 2.918 N/A THR 45.A N ASP 43.A OD2 no hydrogen 3.354 N/A THR 45.A OG1 ASP 43.A OD2 no hydrogen 2.539 N/A ILE 48.A N PRO 44.A O no hydrogen 2.974 N/A GLU 49.A N THR 45.A O no hydrogen 2.899 N/A ILE 50.A N GLU 46.A O no hydrogen 2.916 N/A LEU 51.A N GLU 47.A O no hydrogen 3.069 N/A LEU 52.A N ILE 48.A O no hydrogen 3.003 N/A ARG 53.A N GLU 49.A O no hydrogen 2.979 N/A ARG 53.A NE TYR 54.A OH no hydrogen 3.012 N/A TYR 54.A N ILE 50.A O no hydrogen 2.928 N/A GLY 55.A N LEU 51.A O no hydrogen 2.997 N/A HIS 57.A N TYR 54.A O no hydrogen 3.109 N/A ASN 59.A N HIS 57.A ND1 no hydrogen 3.071 N/A ASN 59.A ND2 PRO 138.A O no hydrogen 3.489 N/A ASN 59.A ND2 ILE 141.A O no hydrogen 2.863 N/A ILE 60.A N HIS 57.A O no hydrogen 3.290 N/A ILE 61.A N ILE 143.A O no hydrogen 3.015 N/A THR 62.A N GLU 78.A OE2 no hydrogen 2.947 N/A THR 62.A OG1 GLU 78.A OE2 no hydrogen 2.755 N/A LYS 64.A N VAL 76.A O no hydrogen 2.780 N/A ASP 65.A N VAL 76.A O no hydrogen 3.305 N/A TYR 67.A N TYR 74.A O no hydrogen 2.966 N/A TYR 67.A OH ASP 65.A OD1 no hydrogen 2.736 N/A ASP 69.A N TYR 72.A O no hydrogen 3.224 N/A GLY 70.A N ASP 68.A OD1 no hydrogen 2.551 N/A LYS 71.A N ASP 69.A OD1 no hydrogen 3.298 N/A TYR 72.A N ASP 69.A OD1 no hydrogen 2.840 N/A VAL 73.A N ILE 37.A O no hydrogen 3.003 N/A TYR 74.A N TYR 67.A O no hydrogen 2.741 N/A VAL 75.A N LYS 35.A O no hydrogen 2.919 N/A VAL 76.A N ASP 65.A O no hydrogen 2.878 N/A THR 77.A N ALA 33.A O no hydrogen 2.918 N/A THR 77.A OG1 GLU 78.A O no hydrogen 3.379 N/A GLU 78.A N THR 62.A O no hydrogen 3.142 N/A LYS 81.A N VAL 132.A O no hydrogen 2.927 N/A LYS 81.A NZ GLU 31.A OE2 no hydrogen 3.167 N/A GLY 82.A N TYR 131.A O no hydrogen 2.830 N/A LEU 85.A N ILE 129.A O no hydrogen 3.002 N/A ASP 87.A N GLU 84.A OE2 no hydrogen 3.063 N/A LYS 88.A N GLU 84.A O no hydrogen 3.195 N/A ILE 89.A N LEU 85.A O no hydrogen 3.035 N/A LEU 90.A N LEU 86.A O no hydrogen 2.857 N/A ARG 91.A N ASP 87.A O no hydrogen 3.222 N/A ARG 91.A N LYS 88.A O no hydrogen 3.041 N/A ARG 91.A NE ASP 87.A OD1 no hydrogen 3.179 N/A GLN 92.A N ILE 89.A O no hydrogen 3.291 N/A PHE 95.A N GLN 92.A O no hydrogen 3.283 N/A SER 96.A N GLU 99.A OE2.A no hydrogen 3.030 N/A SER 96.A OG GLU 99.A OE2.A no hydrogen 3.222 N/A ARG 98.A N PRO 270.A O no hydrogen 3.159 N/A ARG 98.A NE LEU 269.A O no hydrogen 3.366 N/A ARG 98.A NH2 LEU 269.A O no hydrogen 3.368 N/A GLU 99.A N SER 96.A OG no hydrogen 3.315 N/A ALA 100.A N SER 96.A O no hydrogen 2.967 N/A SER 101.A N GLU 97.A O no hydrogen 2.940 N/A SER 101.A OG TRP 262.A O no hydrogen 2.855 N/A ALA 102.A N ARG 98.A O no hydrogen 3.183 N/A VAL 103.A N GLU 99.A O no hydrogen 3.055 N/A LEU 104.A N ALA 100.A O no hydrogen 2.945 N/A PHE 105.A N SER 101.A O no hydrogen 2.863 N/A THR 106.A N ALA 102.A O no hydrogen 3.151 N/A THR 106.A OG1 ALA 102.A O no hydrogen 2.962 N/A ILE 107.A N VAL 103.A O no hydrogen 3.173 N/A THR 108.A N LEU 104.A O no hydrogen 2.731 N/A THR 108.A OG1 LEU 104.A O no hydrogen 2.760 N/A LYS 109.A N PHE 105.A O no hydrogen 2.851 N/A LYS 109.A NZ GLU 112.A OE2 no hydrogen 3.360 N/A THR 110.A N ILE 107.A O no hydrogen 3.248 N/A THR 110.A OG1 THR 106.A O no hydrogen 2.713 N/A VAL 111.A N ILE 107.A O no hydrogen 3.190 N/A GLU 112.A N THR 108.A O no hydrogen 2.808 N/A TYR 113.A N LYS 109.A O no hydrogen 3.254 N/A LEU 114.A N THR 110.A O no hydrogen 3.077 N/A HIS 115.A N VAL 111.A O no hydrogen 2.785 N/A HIS 115.A NE2 ASP 184.A OD2 no hydrogen 2.776 N/A ALA 116.A N GLU 112.A O no hydrogen 2.870 N/A GLN 117.A N TYR 113.A O no hydrogen 3.063 N/A GLN 117.A N LEU 114.A O no hydrogen 3.045 N/A GLY 118.A N HIS 115.A O no hydrogen 2.871 N/A VAL 119.A N LEU 114.A O no hydrogen 2.928 N/A VAL 120.A N LYS 150.A O no hydrogen 3.253 N/A HIS 121.A N ASP 184.A OD2 no hydrogen 2.812 N/A HIS 121.A NE2 CYS 144.A O no hydrogen 3.000 N/A ARG 122.A N ASP 184.A OD1 no hydrogen 3.110 N/A ASP 123.A N HIS 121.A ND1 no hydrogen 3.104 N/A LYS 125.A NZ ASP 123.A OD1 no hydrogen 3.505 N/A ASN 128.A N LYS 125.A O no hydrogen 2.746 N/A ASN 128.A ND2 ASP 123.A O no hydrogen 2.947 N/A ASN 128.A ND2 ASP 123.A OD2 no hydrogen 3.195 N/A ILE 129.A N PRO 126.A O no hydrogen 3.146 N/A LEU 130.A N ARG 142.A O no hydrogen 3.095 N/A TYR 131.A N GLY 83.A O no hydrogen 2.986 N/A VAL 132.A N SER 140.A O no hydrogen 2.928 N/A SER 135.A N ASP 133.A OD2 no hydrogen 2.928 N/A SER 135.A OG ASP 133.A OD2 no hydrogen 2.674 N/A SER 135.A OG ASN 137.A OD1 no hydrogen 2.680 N/A SER 140.A N ASN 137.A O no hydrogen 2.799 N/A SER 140.A OG ASN 137.A O no hydrogen 2.603 N/A ILE 141.A N PRO 138.A O no hydrogen 3.084 N/A ARG 142.A N LEU 130.A O no hydrogen 2.888 N/A ARG 142.A NE GLU 78.A OE2 no hydrogen 3.068 N/A ARG 142.A NH1 GLU 139.A O no hydrogen 2.958 N/A ARG 142.A NH1 ILE 141.A O no hydrogen 2.979 N/A ILE 143.A N ASN 59.A O no hydrogen 2.759 N/A CYS 144.A N ASN 128.A O no hydrogen 2.790 N/A CYS 144.A SG ARG 142.A O no hydrogen 3.790 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 2.940 N/A ALA 149.A N PHE 146.A O no hydrogen 3.032 N/A LYS 150.A N VAL 120.A O no hydrogen 3.153 N/A GLN 151.A N GLU 46.A OE2 no hydrogen 2.717 N/A GLN 151.A NE2 TYR 54.A OH no hydrogen 2.805 N/A LEU 152.A N GLY 118.A O no hydrogen 2.715 N/A ARG 153.A NE GLY 157.A O no hydrogen 3.373 N/A ARG 153.A NH1 GLU 46.A OE1 no hydrogen 3.029 N/A ALA 154.A N LEU 158.A O no hydrogen 2.846 N/A GLU 155.A N PHE 168.A O no hydrogen 3.066 N/A GLY 157.A N ALA 154.A O no hydrogen 2.788 N/A LEU 158.A N ASN 156.A OD1 no hydrogen 3.335 N/A MET 160.A N LEU 152.A O no hydrogen 3.060 N/A CYS 163.A SG.B THR 161.A OG1 no hydrogen 2.760 N/A VAL 173.A N ALA 170.A O no hydrogen 2.943 N/A LEU 174.A N ALA 170.A O no hydrogen 3.006 N/A GLU 175.A N PRO 171.A O no hydrogen 2.727 N/A GLN 177.A N VAL 173.A O no hydrogen 3.181 N/A GLN 177.A N LEU 174.A O no hydrogen 3.140 N/A GLY 178.A N LEU 174.A O no hydrogen 3.205 N/A TYR 179.A N GLU 175.A O no hydrogen 3.114 N/A ASP 180.A N ARG 176.A O no hydrogen 2.922 N/A ALA 181.A N GLN 177.A O no hydrogen 3.017 N/A ALA 182.A N GLY 178.A O no hydrogen 3.208 N/A CYS 183.A N TYR 179.A O no hydrogen 2.961 N/A CYS 183.A SG TYR 179.A O no hydrogen 3.583 N/A ASP 184.A N ASP 180.A O no hydrogen 3.250 N/A ILE 185.A N ALA 181.A O no hydrogen 3.319 N/A TRP 186.A N ALA 182.A O no hydrogen 2.971 N/A SER 187.A N CYS 183.A O no hydrogen 3.202 N/A SER 187.A OG CYS 183.A O no hydrogen 3.501 N/A SER 187.A OG TYR 291.A OH no hydrogen 2.814 N/A LEU 188.A N ASP 184.A O no hydrogen 3.275 N/A GLY 189.A N ILE 185.A O no hydrogen 2.858 N/A VAL 190.A N TRP 186.A O no hydrogen 2.919 N/A LEU 191.A N SER 187.A O no hydrogen 2.936 N/A LEU 192.A N LEU 188.A O no hydrogen 2.864 N/A TYR 193.A N GLY 189.A O no hydrogen 3.026 N/A TYR 193.A OH SER 223.A O no hydrogen 2.974 N/A THR 194.A N VAL 190.A O no hydrogen 3.283 N/A THR 194.A OG1 VAL 190.A O no hydrogen 2.800 N/A THR 194.A OG1 TYR 199.A O no hydrogen 3.564 N/A MET 195.A N LEU 191.A O no hydrogen 2.991 N/A LEU 196.A N LEU 192.A O no hydrogen 3.043 N/A THR 197.A N TYR 193.A O no hydrogen 3.252 N/A THR 197.A OG1 TYR 193.A O no hydrogen 3.001 N/A GLY 198.A N THR 194.A O no hydrogen 2.673 N/A TYR 199.A N THR 197.A OG1 no hydrogen 3.180 N/A ASN 204.A N ASP 208.A OD2 no hydrogen 2.829 N/A ASP 208.A N GLY 205.A O no hydrogen 3.295 N/A THR 209.A N GLU 212.A OE1 no hydrogen 2.765 N/A GLU 212.A N THR 209.A OG1 no hydrogen 3.276 N/A ILE 213.A N THR 209.A O no hydrogen 3.182 N/A LEU 214.A N PRO 210.A O no hydrogen 2.887 N/A ALA 215.A N GLU 211.A O no hydrogen 2.847 N/A ARG 216.A N GLU 212.A O no hydrogen 3.152 N/A ARG 216.A NH1 PHE 202.A O no hydrogen 2.908 N/A ARG 216.A NH1 ASP 208.A OD2 no hydrogen 2.747 N/A ILE 217.A N ILE 213.A O no hydrogen 3.044 N/A GLY 218.A N LEU 214.A O no hydrogen 2.912 N/A SER 219.A N ALA 215.A O no hydrogen 2.978 N/A SER 219.A OG ARG 216.A O no hydrogen 2.992 N/A GLY 220.A N ILE 217.A O no hydrogen 3.256 N/A LYS 221.A N SER 219.A OG no hydrogen 2.994 N/A SER 225.A N SER 223.A OG no hydrogen 3.271 N/A GLY 226.A N ASN 230.A OD1 no hydrogen 3.020 N/A TRP 229.A N GLY 226.A O no hydrogen 3.166 N/A ASN 230.A N GLY 226.A O no hydrogen 2.649 N/A VAL 232.A N TRP 229.A O no hydrogen 2.778 N/A SER 233.A N GLU 97.A OE2 no hydrogen 2.896 N/A SER 233.A OG GLU 97.A OE1 no hydrogen 2.471 N/A SER 233.A OG GLU 97.A OE2 no hydrogen 3.264 N/A LYS 237.A N SER 233.A O no hydrogen 3.382 N/A LYS 237.A NZ TRP 229.A O no hydrogen 3.212 N/A LYS 237.A NZ VAL 232.A O no hydrogen 2.779 N/A ASP 238.A N ASP 234.A O no hydrogen 2.742 N/A LEU 239.A N THR 235.A O no hydrogen 3.067 N/A VAL 240.A N ALA 236.A O no hydrogen 3.047 N/A SER 241.A N LYS 237.A O no hydrogen 2.909 N/A SER 241.A OG LYS 237.A O no hydrogen 3.364 N/A SER 241.A OG ASP 238.A O no hydrogen 2.557 N/A LYS 242.A N ASP 238.A O no hydrogen 2.946 N/A LYS 242.A NZ ASP 238.A OD2 no hydrogen 3.398 N/A MET 243.A N LEU 239.A O no hydrogen 2.816 N/A LEU 244.A N VAL 240.A O no hydrogen 2.956 N/A ASP 247.A N HIS 245.A ND1 no hydrogen 3.064 N/A HIS 249.A N ASP 247.A OD1 no hydrogen 2.543 N/A GLN 250.A N ASP 247.A O no hydrogen 2.884 N/A ARG 251.A N ASP 247.A O no hydrogen 3.041 N/A ARG 251.A NE HIS 245.A O no hydrogen 3.020 N/A ARG 251.A NH1 ALA 182.A O no hydrogen 3.009 N/A ARG 251.A NH2 HIS 245.A O no hydrogen 2.800 N/A LEU 252.A N LYS 242.A O no hydrogen 3.093 N/A LEU 256.A N THR 253.A OG1 no hydrogen 2.883 N/A VAL 257.A N THR 253.A O no hydrogen 2.820 N/A LEU 258.A N ALA 254.A O no hydrogen 3.121 N/A HIS 260.A N VAL 257.A O no hydrogen 2.978 N/A HIS 260.A NE2 ASP 238.A OD1 no hydrogen 2.836 N/A TRP 262.A N HIS 260.A ND1 no hydrogen 3.102 N/A TRP 262.A NE1 GLU 97.A OE1 no hydrogen 3.210 N/A ILE 263.A N HIS 260.A O no hydrogen 3.025 N/A VAL 264.A N HIS 260.A O no hydrogen 2.862 N/A HIS 265.A N PRO 261.A O no hydrogen 2.919 N/A GLN 268.A N HIS 265.A O no hydrogen 3.014 N/A LEU 269.A N TRP 266.A O no hydrogen 3.290 N/A LEU 274.A N PHE 95.A O no hydrogen 2.827 N/A ARG 276.A NH1 ILE 89.A O no hydrogen 3.479 N/A ARG 276.A NH1 MET 195.A O no hydrogen 2.844 N/A ARG 276.A NH2 ILE 89.A O no hydrogen 2.988 N/A GLN 277.A N THR 197.A O no hydrogen 2.934 N/A VAL 283.A N ALA 279.A O no hydrogen 3.017 N/A LYS 284.A N PRO 280.A O no hydrogen 2.978 N/A GLY 285.A N HIS 281.A O no hydrogen 3.251 N/A ALA 286.A N LEU 282.A O no hydrogen 2.892 N/A MET 287.A N VAL 283.A O no hydrogen 2.788 N/A ALA 288.A N LYS 284.A O no hydrogen 3.077 N/A ALA 289.A N GLY 285.A O no hydrogen 2.945 N/A THR 290.A N ALA 286.A O no hydrogen 2.980 N/A THR 290.A OG1 ALA 286.A O no hydrogen 2.755 N/A TYR 291.A N MET 287.A O no hydrogen 3.060 N/A TYR 291.A OH SER 187.A OG no hydrogen 2.814 N/A SER 292.A N ALA 288.A O no hydrogen 2.899 N/A ALA 293.A N ALA 289.A O no hydrogen 2.883 N/A LEU 294.A N THR 290.A O no hydrogen 3.065 N/A ASN 295.A N TYR 291.A O no hydrogen 2.983 N/A ARG 296.A NE ALA 293.A O no hydrogen 2.961 N/A ARG 296.A NH2 ALA 293.A O no hydrogen 3.146 N/A GLN 298.A N ASN 295.A O no hydrogen 3.023 N/A