Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4x3l_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N.A VAL 69.A O no hydrogen 2.777 N/A MET 1.A N.A GLU 71.A OE2 no hydrogen 3.560 N/A MET 1.A N.B VAL 69.A O no hydrogen 3.448 N/A ILE 3.A N GLU 71.A O no hydrogen 2.822 N/A GLN 7.A N SER 5.A OG no hydrogen 2.930 N/A ASN 8.A N SER 5.A O no hydrogen 3.032 N/A ARG 10.A N ASN 8.A OD1 no hydrogen 2.824 N/A ARG 10.A NH1 GLU 68.A OE1 no hydrogen 3.539 N/A ARG 10.A NH1 GLU 68.A OE2 no hydrogen 3.008 N/A VAL 11.A N ASN 8.A O no hydrogen 2.889 N/A LYS 12.A N ASN 8.A O no hydrogen 3.304 N/A ALA 13.A N PRO 9.A O no hydrogen 3.022 N/A LEU 14.A N ARG 10.A O no hydrogen 2.901 N/A ALA 15.A N VAL 11.A O no hydrogen 2.798 N/A ALA 16.A N LYS 12.A O no hydrogen 2.999 N/A ALA 16.A N ALA 13.A O no hydrogen 3.269 N/A LEU 17.A N LEU 14.A O no hydrogen 3.225 N/A LYS 18.A N ALA 15.A O no hydrogen 3.215 N/A LYS 18.A NZ ARG 79.A O.A no hydrogen 2.981 N/A LYS 18.A NZ ARG 79.A O.B no hydrogen 2.939 N/A LYS 18.A NZ SER 81.A O no hydrogen 3.004 N/A GLU 19.A N ALA 16.A O no hydrogen 3.238 N/A ARG 20.A NH1 GLY 143.A O no hydrogen 2.934 N/A ARG 20.A NH2 GLY 143.A O no hydrogen 3.193 N/A ARG 23.A N GLU 19.A O no hydrogen 3.093 N/A ARG 23.A NH1 LEU 17.A O no hydrogen 2.957 N/A ARG 23.A NH1 LYS 18.A O no hydrogen 3.047 N/A ARG 23.A NH2 ASP 145.A OD2 no hydrogen 2.704 N/A GLU 24.A N ARG 20.A O no hydrogen 2.940 N/A ARG 25.A N LYS 21.A O no hydrogen 2.904 N/A ARG 25.A NE GLU 22.A OE1 no hydrogen 2.848 N/A ARG 25.A NH2 GLU 22.A OE2 no hydrogen 2.946 N/A THR 26.A N GLU 22.A O no hydrogen 2.953 N/A THR 26.A OG1 GLU 22.A O no hydrogen 2.845 N/A THR 26.A OG1 ARG 23.A O no hydrogen 3.500 N/A GLY 27.A N ARG 23.A O no hydrogen 2.854 N/A ARG 28.A N.A ARG 23.A O no hydrogen 3.335 N/A ARG 28.A N.A THR 26.A OG1 no hydrogen 3.310 N/A ARG 28.A N.B ARG 23.A O no hydrogen 3.320 N/A ARG 28.A N.B THR 26.A OG1 no hydrogen 3.295 N/A ARG 28.A NH1.B GLY 27.A O no hydrogen 3.137 N/A PHE 29.A N PHE 93.A O no hydrogen 2.924 N/A VAL 31.A N GLY 91.A O no hydrogen 2.758 N/A GLY 33.A N VAL 89.A O no hydrogen 2.872 N/A ARG 34.A NE ASP 60.A OD1 no hydrogen 2.847 N/A ARG 34.A NH2 ASP 60.A OD2 no hydrogen 2.795 N/A GLU 36.A N GLU 36.A OE1 no hydrogen 2.736 N/A VAL 37.A N GLY 33.A O no hydrogen 2.856 N/A GLU 38.A N ARG 34.A O no hydrogen 2.899 N/A ARG 39.A N ARG 35.A O no hydrogen 3.015 N/A ALA 40.A N GLU 36.A O no hydrogen 3.000 N/A LEU 41.A N VAL 37.A O no hydrogen 2.880 N/A GLU 42.A N GLU 38.A O no hydrogen 2.852 N/A ALA 43.A N ARG 39.A O no hydrogen 2.992 N/A ALA 43.A N ALA 40.A O no hydrogen 3.282 N/A GLY 44.A N LEU 41.A O no hydrogen 2.963 N/A LEU 45.A N ALA 40.A O no hydrogen 3.168 N/A SER 46.A OG.B GLU 48.A OE2 no hydrogen 3.175 N/A GLU 48.A N VAL 92.A O no hydrogen 2.747 N/A THR 49.A N VAL 92.A O no hydrogen 3.295 N/A LEU 50.A N GLU 68.A O no hydrogen 2.755 N/A LEU 51.A N LEU 90.A O no hydrogen 2.749 N/A LEU 52.A N LEU 70.A O no hydrogen 2.842 N/A GLY 53.A N GLN 88.A O no hydrogen 2.790 N/A LYS 55.A N.A GLN 88.A OE1 no hydrogen 2.859 N/A LYS 55.A N.B GLN 88.A OE1 no hydrogen 2.857 N/A ALA 56.A N GLY 53.A O no hydrogen 3.122 N/A ARG 57.A N ASP 60.A OD2 no hydrogen 2.844 N/A ASP 60.A N ARG 57.A O no hydrogen 2.946 N/A ARG 61.A N PRO 58.A O no hydrogen 3.270 N/A ARG 61.A NH2 GLU 71.A OE1 no hydrogen 2.267 N/A ALA 62.A N GLU 59.A O no hydrogen 3.012 N/A LEU 63.A N ASP 60.A O no hydrogen 3.061 N/A ALA 64.A N ARG 61.A O no hydrogen 3.255 N/A ALA 67.A N ALA 64.A O no hydrogen 2.966 N/A LEU 70.A N LEU 50.A O no hydrogen 2.793 N/A GLU 71.A N MET 1.A O.A no hydrogen 2.691 N/A GLU 71.A N MET 1.A O.B no hydrogen 3.323 N/A LEU 72.A N LEU 52.A O no hydrogen 2.795 N/A SER 73.A N ILE 3.A O no hydrogen 3.048 N/A SER 73.A OG GLU 4.A O no hydrogen 2.523 N/A ALA 76.A N SER 73.A OG no hydrogen 3.099 N/A LEU 77.A N SER 73.A O no hydrogen 2.858 N/A ALA 78.A N GLU 74.A O no hydrogen 2.965 N/A ARG 79.A N.A ALA 76.A O no hydrogen 3.221 N/A ARG 79.A N.B ALA 76.A O no hydrogen 3.226 N/A VAL 80.A N ALA 76.A O no hydrogen 3.281 N/A SER 81.A N LEU 77.A O no hydrogen 2.910 N/A SER 81.A OG GLU 32.A OE1 no hydrogen 3.324 N/A SER 81.A OG GLU 32.A OE2 no hydrogen 2.572 N/A SER 81.A OG ARG 83.A O no hydrogen 3.564 N/A THR 82.A N GLU 32.A OE1 no hydrogen 3.025 N/A THR 82.A OG1 GLU 32.A OE1 no hydrogen 3.358 N/A ARG 83.A N SER 81.A OG no hydrogen 2.912 N/A ALA 87.A N GLU 32.A OE2 no hydrogen 3.053 N/A LEU 90.A N LEU 51.A O no hydrogen 2.983 N/A GLY 91.A N VAL 31.A O no hydrogen 2.849 N/A VAL 92.A N THR 49.A O no hydrogen 2.768 N/A PHE 93.A N PHE 29.A O no hydrogen 2.897 N/A ARG 94.A N SER 46.A O.A no hydrogen 3.009 N/A ARG 94.A N SER 46.A O.B no hydrogen 3.009 N/A LEU 95.A N GLY 27.A O no hydrogen 2.854 N/A ARG 98.A NH1 VAL 164.A O no hydrogen 2.983 N/A ARG 98.A NH2 VAL 164.A O no hydrogen 2.706 N/A ALA 101.A N SER 99.A OG.B no hydrogen 3.392 N/A GLY 102.A N SER 99.A O.A no hydrogen 3.219 N/A GLY 102.A N SER 99.A O.B no hydrogen 3.197 N/A VAL 103.A N LEU 100.A O no hydrogen 3.054 N/A LEU 110.A N ASP 136.A OD2 no hydrogen 2.832 N/A VAL 111.A N VAL 203.A O no hydrogen 2.917 N/A LEU 112.A N LEU 137.A O no hydrogen 2.935 N/A VAL 113.A N PHE 205.A O no hydrogen 2.741 N/A LEU 114.A N LEU 139.A O no hydrogen 2.761 N/A LEU 115.A N LEU 207.A O no hydrogen 2.828 N/A ASN 122.A N LYS 119.A O no hydrogen 2.887 N/A ASN 122.A ND2 GLU 210.A OE2 no hydrogen 3.132 N/A ILE 126.A N ASN 122.A O no hydrogen 2.937 N/A LEU 127.A N LEU 123.A O no hydrogen 2.908 N/A ARG 128.A N GLY 124.A O no hydrogen 3.033 N/A ALA 129.A N ALA 125.A O no hydrogen 3.148 N/A ALA 130.A N ILE 126.A O no hydrogen 2.823 N/A ASP 131.A N LEU 127.A O no hydrogen 2.914 N/A GLY 132.A N ARG 128.A O no hydrogen 2.933 N/A ALA 133.A N ALA 129.A O no hydrogen 2.824 N/A GLY 134.A N ASP 131.A O no hydrogen 3.363 N/A ALA 135.A N ALA 130.A O no hydrogen 2.873 N/A ASP 136.A N LEU 110.A O no hydrogen 2.777 N/A VAL 138.A N PRO 163.A O no hydrogen 2.898 N/A LEU 139.A N LEU 112.A O no hydrogen 2.818 N/A VAL 140.A N TYR 165.A O no hydrogen 2.966 N/A VAL 144.A N ALA 141.A O no hydrogen 3.216 N/A PHE 147.A N ASP 145.A OD1 no hydrogen 3.037 N/A VAL 151.A N SER 148.A OG no hydrogen 3.034 N/A ILE 152.A N SER 148.A O no hydrogen 3.089 N/A ARG 153.A N PRO 149.A O no hydrogen 2.993 N/A ASN 154.A N GLN 150.A O no hydrogen 2.847 N/A SER 155.A N VAL 151.A O no hydrogen 2.956 N/A SER 155.A OG VAL 151.A O no hydrogen 2.801 N/A SER 155.A OG ILE 152.A O no hydrogen 3.288 N/A THR 156.A N ARG 153.A O no hydrogen 2.997 N/A THR 156.A OG1 SER 155.A O no hydrogen 2.489 N/A GLY 157.A N ILE 152.A O no hydrogen 3.020 N/A ALA 158.A N SER 155.A O no hydrogen 2.900 N/A VAL 159.A N SER 155.A OG no hydrogen 3.214 N/A PHE 160.A N GLY 157.A O no hydrogen 3.035 N/A ALA 161.A N ALA 158.A O no hydrogen 2.926 N/A TYR 165.A N VAL 138.A O no hydrogen 2.974 N/A VAL 167.A N VAL 140.A O no hydrogen 2.883 N/A ALA 172.A N ALA 168.A O no hydrogen 3.004 N/A ALA 173.A N GLU 169.A O no hydrogen 2.832 N/A ARG 174.A N GLY 170.A O no hydrogen 2.874 N/A PHE 175.A N GLU 171.A O no hydrogen 2.902 N/A LEU 176.A N ALA 172.A O no hydrogen 3.004 N/A GLU 177.A N ALA 173.A O no hydrogen 3.028 N/A GLU 178.A N ARG 174.A O no hydrogen 2.975 N/A HIS 179.A N PHE 175.A O no hydrogen 3.095 N/A HIS 179.A N LEU 176.A O no hydrogen 3.252 N/A HIS 179.A ND1 PHE 175.A O no hydrogen 2.772 N/A ASN 180.A N GLU 177.A O no hydrogen 2.885 N/A LEU 181.A N LEU 176.A O no hydrogen 3.113 N/A VAL 184.A N ALA 204.A O no hydrogen 2.807 N/A ALA 185.A N VAL 224.A O no hydrogen 2.965 N/A ALA 186.A N LEU 206.A O no hydrogen 2.982 N/A THR 187.A N VAL 226.A O no hydrogen 2.877 N/A THR 187.A OG1 GLU 189.A OE1 no hydrogen 2.711 N/A THR 187.A OG1 GLU 189.A OE2 no hydrogen 3.070 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 2.630 N/A GLY 190.A N THR 187.A O no hydrogen 2.926 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 3.015 N/A ARG 192.A N ARG 225.A O no hydrogen 3.262 N/A LEU 193.A N GLU 196.A OE1 no hydrogen 2.820 N/A TYR 194.A N ARG 227.A O no hydrogen 2.883 N/A GLU 196.A N LEU 193.A O no hydrogen 2.847 N/A GLY 197.A N TYR 194.A O no hydrogen 3.453 N/A TYR 199.A N GLN 253.A OE1 no hydrogen 2.798 N/A TYR 199.A OH TYR 194.A O no hydrogen 2.624 N/A ARG 200.A N ASP 198.A OD1 no hydrogen 3.139 N/A ARG 200.A NE ASP 198.A OD1 no hydrogen 2.881 N/A ARG 200.A NH2 ASP 198.A OD2 no hydrogen 2.784 N/A VAL 203.A N PRO 109.A O no hydrogen 2.993 N/A ALA 204.A N PRO 182.A O no hydrogen 2.932 N/A PHE 205.A N VAL 111.A O no hydrogen 2.842 N/A LEU 206.A N VAL 184.A O no hydrogen 2.794 N/A LEU 207.A N VAL 113.A O no hydrogen 2.909 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 3.039 N/A GLY 213.A N ALA 209.A O no hydrogen 2.881 N/A TRP 218.A N PRO 215.A O no hydrogen 3.040 N/A TRP 218.A NE1 GLU 169.A OE2 no hydrogen 2.868 N/A LYS 219.A N PRO 215.A O no hydrogen 3.176 N/A LYS 219.A NZ GLU 189.A OE2 no hydrogen 3.083 N/A ARG 220.A N GLU 216.A O no hydrogen 2.925 N/A ARG 221.A N ALA 217.A O no hydrogen 3.033 N/A ALA 222.A N TRP 218.A O no hydrogen 3.167 N/A ALA 222.A N LYS 219.A O no hydrogen 3.268 N/A GLN 223.A N LEU 183.A O no hydrogen 2.915 N/A ARG 225.A N GLU 191.A OE2 no hydrogen 3.048 N/A ARG 225.A NE GLU 191.A OE1 no hydrogen 2.887 N/A ARG 225.A NE GLU 191.A OE2 no hydrogen 3.278 N/A ARG 225.A NH1 LYS 219.A O no hydrogen 2.763 N/A ARG 225.A NH1 ALA 222.A O no hydrogen 2.959 N/A ARG 225.A NH2 GLU 191.A OE2 no hydrogen 3.173 N/A VAL 226.A N ALA 185.A O no hydrogen 2.756 N/A ARG 227.A N ARG 192.A O no hydrogen 2.811 N/A ARG 227.A NH1 GLY 190.A O no hydrogen 2.889 N/A ASN 238.A ND2 ASN 122.A OD1 no hydrogen 3.015 N/A VAL 239.A N GLU 210.A OE2 no hydrogen 3.314 N/A ALA 240.A N ASN 238.A OD1 no hydrogen 2.746 N/A THR 242.A N ASN 238.A O no hydrogen 2.975 N/A THR 242.A OG1 ASN 238.A O no hydrogen 3.139 N/A ALA 243.A N VAL 239.A O no hydrogen 2.912 N/A ALA 244.A N ALA 240.A O no hydrogen 3.122 N/A LEU 245.A N VAL 241.A O no hydrogen 3.023 N/A LEU 246.A N THR 242.A O no hydrogen 3.007 N/A LEU 247.A N ALA 243.A O no hydrogen 2.920 N/A TYR 248.A N ALA 244.A O no hydrogen 2.940 N/A GLU 249.A N LEU 245.A O no hydrogen 3.023 N/A ALA 250.A N LEU 246.A O no hydrogen 3.014 N/A LEU 251.A N LEU 247.A O no hydrogen 2.976 N/A ARG 252.A N TYR 248.A O no hydrogen 2.841 N/A ARG 252.A NE GLU 249.A OE1 no hydrogen 2.860 N/A ARG 252.A NH1 ALA 258.A O no hydrogen 3.277 N/A ARG 252.A NH2 GLU 249.A OE1 no hydrogen 3.515 N/A ARG 252.A NH2 GLU 249.A OE2 no hydrogen 2.710 N/A ARG 252.A NH2 ALA 258.A O no hydrogen 2.813 N/A GLN 253.A N GLU 249.A O no hydrogen 3.108 N/A GLN 253.A NE2 GLY 197.A O no hydrogen 2.895 N/A GLN 253.A NE2 GLU 249.A OE2 no hydrogen 2.896 N/A ARG 254.A N ALA 250.A O no hydrogen 2.990 N/A ARG 254.A NE TYR 199.A O no hydrogen 2.898 N/A ARG 254.A NH1 ALA 108.A O no hydrogen 2.718 N/A ARG 254.A NH2 PRO 109.A O no hydrogen 3.237 N/A ARG 254.A NH2 TYR 199.A O no hydrogen 3.293 N/A ARG 254.A NH2 GLY 201.A O no hydrogen 2.830 N/A SER 255.A N ARG 252.A O no hydrogen 3.006 N/A SER 255.A OG LEU 251.A O no hydrogen 2.656 N/A GLY 256.A N GLN 253.A O no hydrogen 3.303 N/A GLY 257.A N ARG 252.A O no hydrogen 3.009 N/A LEU 260.A N TRP 195.A O no hydrogen 2.838 N/A