Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f2a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A OG PRO 2.A O no hydrogen 3.296 N/A GLN 6.A N LEU 3.A O no hydrogen 3.336 N/A TYR 7.A N LEU 3.A O no hydrogen 3.068 N/A GLN 8.A N ILE 25.A O no hydrogen 2.680 N/A GLN 8.A NE2 VAL 9.A O no hydrogen 3.522 N/A GLY 10.A N SER 23.A O no hydrogen 2.616 N/A LEU 13.A N VAL 21.A O no hydrogen 2.680 N/A GLY 14.A N VAL 21.A O no hydrogen 3.260 N/A GLY 16.A N GLY 19.A O no hydrogen 2.760 N/A GLY 19.A N GLY 16.A O no hydrogen 2.863 N/A SER 20.A N HIS 37.A O no hydrogen 3.207 N/A VAL 21.A N GLY 14.A O no hydrogen 2.847 N/A TYR 22.A N ILE 35.A O no hydrogen 2.845 N/A SER 23.A N PRO 11.A O no hydrogen 2.805 N/A GLY 24.A N VAL 33.A O no hydrogen 2.834 N/A ILE 25.A N GLN 8.A O no hydrogen 3.049 N/A ARG 26.A N LEU 31.A O no hydrogen 3.064 N/A ARG 26.A NE ASP 29.A OD2 no hydrogen 2.914 N/A ARG 26.A NH1 ASP 29.A OD1 no hydrogen 2.444 N/A VAL 27.A N GLN 6.A O no hydrogen 3.041 N/A ASP 29.A N ARG 26.A O no hydrogen 3.359 N/A ASN 30.A N ARG 26.A O no hydrogen 2.852 N/A LEU 31.A N ASP 29.A OD2 no hydrogen 3.179 N/A VAL 33.A N GLY 24.A O no hydrogen 2.877 N/A ALA 34.A N LEU 89.A O no hydrogen 2.720 N/A ILE 35.A N TYR 22.A O no hydrogen 2.847 N/A LYS 36.A N LEU 87.A O no hydrogen 2.884 N/A LYS 36.A NZ GLU 58.A OE2 no hydrogen 2.789 N/A LYS 36.A NZ ASP 155.A OD1 no hydrogen 2.934 N/A HIS 37.A N SER 20.A O no hydrogen 2.926 N/A VAL 38.A N PHE 85.A O no hydrogen 3.143 N/A LYS 40.A N ASP 83.A O no hydrogen 2.812 N/A LYS 40.A NZ GLU 80.A OE2 no hydrogen 3.122 N/A LYS 40.A NZ ARG 81.A O no hydrogen 2.887 N/A LYS 40.A NZ PRO 82.A O no hydrogen 2.999 N/A ARG 42.A N GLU 39.A O no hydrogen 2.989 N/A ARG 42.A NH2 HIS 37.A O no hydrogen 3.097 N/A ILE 43.A N GLU 39.A O no hydrogen 3.259 N/A SER 44.A OG ASP 45.A OD2 no hydrogen 3.258 N/A GLY 47.A N VAL 55.A O no hydrogen 2.645 N/A GLY 52.A N LEU 49.A O no hydrogen 3.226 N/A MET 57.A N ASP 45.A O no hydrogen 2.973 N/A VAL 59.A N PRO 56.A O no hydrogen 2.924 N/A VAL 60.A N PRO 56.A O no hydrogen 3.387 N/A LEU 61.A N MET 57.A O no hydrogen 2.934 N/A LEU 62.A N GLU 58.A O no hydrogen 3.005 N/A LYS 63.A N VAL 59.A O no hydrogen 3.012 N/A LYS 64.A N VAL 60.A O no hydrogen 3.103 N/A VAL 65.A N LEU 61.A O no hydrogen 3.237 N/A SER 66.A N LYS 63.A O no hydrogen 3.198 N/A PHE 69.A N SER 67.A OG no hydrogen 3.232 N/A SER 70.A OG GLU 150.A OE1 no hydrogen 3.033 N/A ILE 73.A N LEU 153.A O no hydrogen 3.131 N/A ARG 74.A N GLU 90.A OE1 no hydrogen 2.757 N/A LEU 76.A N ILE 88.A O no hydrogen 2.627 N/A ASP 77.A N ILE 88.A O no hydrogen 3.216 N/A TRP 78.A N ASP 77.A OD1 no hydrogen 2.646 N/A PHE 79.A N VAL 86.A O no hydrogen 2.810 N/A ARG 81.A N SER 84.A O no hydrogen 2.591 N/A SER 84.A N ARG 81.A O no hydrogen 3.269 N/A PHE 85.A N VAL 38.A O no hydrogen 2.970 N/A VAL 86.A N PHE 79.A O no hydrogen 2.726 N/A LEU 87.A N LYS 36.A O no hydrogen 2.758 N/A ILE 88.A N ASP 77.A O no hydrogen 2.796 N/A LEU 89.A N ALA 34.A O no hydrogen 2.825 N/A GLU 90.A N ARG 74.A O no hydrogen 3.153 N/A ARG 91.A NE VAL 33.A O no hydrogen 2.736 N/A ARG 91.A NH1 GLY 24.A O no hydrogen 2.938 N/A GLN 96.A N ILE 144.A O no hydrogen 3.322 N/A GLN 96.A NE2 GLU 104.A OE1 no hydrogen 3.259 N/A LEU 98.A N ILE 142.A O no hydrogen 2.934 N/A ASP 100.A N ASP 97.A OD2 no hydrogen 2.625 N/A PHE 101.A N ASP 97.A O no hydrogen 2.985 N/A ILE 102.A N LEU 98.A O no hydrogen 2.975 N/A THR 103.A N PHE 99.A O no hydrogen 2.835 N/A THR 103.A OG1 PHE 99.A O no hydrogen 2.683 N/A GLU 104.A N ASP 100.A O no hydrogen 2.792 N/A ARG 105.A N PHE 101.A O no hydrogen 2.876 N/A ARG 105.A NH1 HIS 271.A O no hydrogen 3.002 N/A ARG 105.A NH2 HIS 271.A O no hydrogen 3.169 N/A GLY 106.A N ILE 102.A O no hydrogen 2.631 N/A LEU 108.A N MET 204.A O no hydrogen 2.997 N/A ALA 113.A N GLN 109.A O no hydrogen 2.927 N/A ARG 114.A N GLU 110.A O no hydrogen 2.715 N/A ARG 114.A NE TRP 257.A O no hydrogen 2.772 N/A ARG 114.A NH2 TRP 257.A O no hydrogen 3.477 N/A SER 115.A N GLU 111.A O no hydrogen 3.246 N/A SER 115.A OG THR 267.A OG1 no hydrogen 2.582 N/A PHE 116.A N LEU 112.A O no hydrogen 2.973 N/A PHE 117.A N ALA 113.A O no hydrogen 2.755 N/A TRP 118.A N ARG 114.A O no hydrogen 2.846 N/A GLN 119.A N SER 115.A O no hydrogen 3.056 N/A GLN 119.A NE2 GLY 149.A O no hydrogen 2.978 N/A VAL 120.A N PHE 116.A O no hydrogen 3.138 N/A VAL 120.A N PHE 117.A O no hydrogen 3.053 N/A LEU 121.A N PHE 117.A O no hydrogen 3.023 N/A GLU 122.A N TRP 118.A O no hydrogen 3.075 N/A ALA 123.A N GLN 119.A O no hydrogen 3.175 N/A VAL 124.A N VAL 120.A O no hydrogen 2.718 N/A ARG 125.A N LEU 121.A O no hydrogen 2.828 N/A ARG 125.A NE GLN 253.A OE1 no hydrogen 3.138 N/A ARG 125.A NH2 GLN 253.A OE1 no hydrogen 2.719 N/A HIS 126.A N GLU 122.A O no hydrogen 2.907 N/A HIS 126.A NE2 VAL 65.A O no hydrogen 3.044 N/A CYS 127.A N ALA 123.A O no hydrogen 3.048 N/A CYS 127.A SG ALA 123.A O no hydrogen 3.378 N/A HIS 128.A N VAL 124.A O no hydrogen 2.904 N/A ASN 129.A N ARG 125.A O no hydrogen 2.890 N/A CYS 130.A N HIS 126.A O no hydrogen 3.081 N/A CYS 130.A N CYS 127.A O no hydrogen 2.861 N/A CYS 130.A SG LYS 64.A O no hydrogen 3.681 N/A CYS 130.A SG HIS 126.A O no hydrogen 3.496 N/A GLY 131.A N HIS 128.A O no hydrogen 2.894 N/A VAL 132.A N CYS 127.A O no hydrogen 2.910 N/A LEU 133.A N ALA 160.A O no hydrogen 2.831 N/A HIS 134.A NE2 ILE 154.A O no hydrogen 2.894 N/A ARG 135.A NE TYR 187.A OH no hydrogen 3.278 N/A ARG 135.A NH1 SER 158.A O no hydrogen 2.926 N/A ARG 135.A NH1 GLY 159.A O no hydrogen 3.020 N/A ARG 135.A NH2 ASP 169.A O no hydrogen 2.946 N/A ARG 135.A NH2 ASP 169.A OD2 no hydrogen 2.615 N/A ARG 135.A NH2 TYR 187.A OH no hydrogen 3.518 N/A ASP 136.A N HIS 134.A ND1 no hydrogen 2.913 N/A LYS 138.A NZ GLU 140.A OE2 no hydrogen 3.510 N/A LYS 138.A NZ THR 173.A OG1 no hydrogen 2.650 N/A GLU 140.A N ASP 139.A OD2 no hydrogen 2.555 N/A ASN 141.A N LYS 138.A O no hydrogen 3.024 N/A ILE 142.A N ASP 139.A O no hydrogen 3.249 N/A LEU 143.A N LYS 152.A O no hydrogen 2.695 N/A ILE 144.A N GLN 96.A O no hydrogen 2.902 N/A ASP 145.A N GLU 150.A O no hydrogen 2.874 N/A ARG 148.A N ASP 145.A OD2 no hydrogen 3.343 N/A GLY 149.A N ASP 145.A O no hydrogen 2.546 N/A LEU 151.A N GLN 119.A OE1 no hydrogen 2.896 N/A LYS 152.A N LEU 143.A O no hydrogen 2.814 N/A LYS 152.A NZ SER 70.A O no hydrogen 2.582 N/A LEU 153.A N GLY 71.A O no hydrogen 2.912 N/A ILE 154.A N ASN 141.A O no hydrogen 2.736 N/A GLY 157.A N ASP 155.A OD1 no hydrogen 3.185 N/A SER 158.A OG ASP 171.A O no hydrogen 3.482 N/A GLY 159.A N PHE 156.A O no hydrogen 3.188 N/A ALA 160.A N LEU 133.A O no hydrogen 2.940 N/A LEU 162.A N GLY 131.A O no hydrogen 2.660 N/A LYS 163.A NZ VAL 166.A O no hydrogen 2.967 N/A TYR 167.A N TYR 187.A O no hydrogen 2.883 N/A TYR 167.A OH LEU 161.A O no hydrogen 2.700 N/A THR 173.A OG1 ASP 136.A OD1 no hydrogen 2.602 N/A ARG 174.A NE ASP 214.A OD1 no hydrogen 3.164 N/A ARG 174.A NH2 ASP 214.A OD1 no hydrogen 3.479 N/A ARG 174.A NH2 ASP 214.A OD2 no hydrogen 3.238 N/A TYR 176.A N THR 173.A O no hydrogen 3.136 N/A SER 177.A N ARG 174.A O no hydrogen 2.831 N/A SER 177.A OG ARG 174.A O no hydrogen 2.749 N/A TRP 181.A N PRO 178.A O no hydrogen 3.222 N/A ILE 182.A N PRO 178.A O no hydrogen 3.378 N/A ARG 183.A N PRO 179.A O no hydrogen 3.101 N/A ARG 183.A NE TYR 184.A OH no hydrogen 3.068 N/A ARG 183.A NH2 TYR 184.A OH no hydrogen 2.702 N/A TYR 184.A N GLU 180.A O no hydrogen 2.773 N/A HIS 185.A N TRP 181.A O no hydrogen 2.826 N/A TYR 187.A N TYR 167.A O no hydrogen 3.109 N/A TYR 187.A OH ASP 169.A O no hydrogen 2.734 N/A ALA 192.A N HIS 188.A O no hydrogen 2.981 N/A ALA 193.A N GLY 189.A O no hydrogen 2.877 N/A VAL 194.A N ARG 190.A O no hydrogen 2.983 N/A TRP 195.A N SER 191.A O no hydrogen 3.130 N/A SER 196.A N ALA 192.A O no hydrogen 3.109 N/A SER 196.A OG ALA 193.A O no hydrogen 2.781 N/A LEU 197.A N ALA 193.A O no hydrogen 3.058 N/A GLY 198.A N VAL 194.A O no hydrogen 2.982 N/A ILE 199.A N TRP 195.A O no hydrogen 2.949 N/A LEU 200.A N SER 196.A O no hydrogen 2.844 N/A LEU 201.A N LEU 197.A O no hydrogen 2.862 N/A TYR 202.A N GLY 198.A O no hydrogen 3.036 N/A TYR 202.A OH PHE 223.A O no hydrogen 2.490 N/A ASP 203.A N ILE 199.A O no hydrogen 2.890 N/A MET 204.A N LEU 200.A O no hydrogen 2.879 N/A VAL 205.A N LEU 201.A O no hydrogen 3.071 N/A CYS 206.A N TYR 202.A O no hydrogen 2.863 N/A GLY 207.A N ASP 203.A O no hydrogen 2.953 N/A ILE 209.A N ASP 208.A OD1 no hydrogen 2.740 N/A GLU 212.A N GLU 216.A OE2 no hydrogen 3.065 N/A HIS 213.A N GLU 216.A OE2 no hydrogen 2.765 N/A GLU 216.A N HIS 213.A O no hydrogen 2.870 N/A ILE 217.A N HIS 213.A O no hydrogen 3.163 N/A ILE 218.A N ASP 214.A O no hydrogen 2.906 N/A ARG 219.A N GLU 215.A O no hydrogen 3.194 N/A GLY 220.A N GLU 216.A O no hydrogen 2.788 N/A ARG 225.A NE TYR 202.A OH no hydrogen 3.115 N/A SER 229.A N GLU 110.A OE2 no hydrogen 2.834 N/A SER 229.A OG GLU 110.A OE1 no hydrogen 2.521 N/A SER 229.A OG GLU 110.A OE2 no hydrogen 3.371 N/A CYS 231.A N SER 229.A OG no hydrogen 3.301 N/A GLN 232.A N SER 229.A O no hydrogen 2.996 N/A GLN 232.A NE2 VAL 228.A O no hydrogen 3.079 N/A HIS 233.A ND1 HIS 255.A NE2 no hydrogen 3.029 N/A LEU 234.A N GLU 230.A O no hydrogen 3.013 N/A ILE 235.A N CYS 231.A O no hydrogen 2.888 N/A ARG 236.A N GLN 232.A O no hydrogen 2.855 N/A TRP 237.A N HIS 233.A O no hydrogen 2.961 N/A TRP 237.A N LEU 234.A O no hydrogen 2.870 N/A CYS 238.A N LEU 234.A O no hydrogen 2.971 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.600 N/A LEU 239.A N ILE 235.A O no hydrogen 3.084 N/A ALA 240.A N TRP 237.A O no hydrogen 3.397 N/A ASP 245.A N ARG 242.A O no hydrogen 2.791 N/A ARG 246.A N PRO 243.A O no hydrogen 2.846 N/A ARG 246.A NE ALA 240.A O no hydrogen 2.775 N/A ARG 246.A NH1 GLU 180.A OE1 no hydrogen 2.989 N/A ARG 246.A NH1 SER 191.A O no hydrogen 3.277 N/A ARG 246.A NH2 GLU 180.A OE2 no hydrogen 2.499 N/A ARG 246.A NH2 ALA 240.A O no hydrogen 3.218 N/A THR 248.A N GLU 251.A OE1 no hydrogen 2.834 N/A THR 248.A OG1 GLU 251.A OE1 no hydrogen 3.171 N/A GLU 251.A N THR 248.A OG1 no hydrogen 3.051 N/A ILE 252.A N THR 248.A O no hydrogen 2.938 N/A GLN 253.A N PHE 249.A O no hydrogen 2.991 N/A GLN 253.A NE2 GLU 122.A OE2 no hydrogen 2.758 N/A ASN 254.A N GLU 250.A O no hydrogen 3.001 N/A HIS 255.A N ILE 252.A O no hydrogen 3.121 N/A HIS 255.A NE2 HIS 233.A ND1 no hydrogen 3.029 N/A TRP 257.A N HIS 255.A ND1 no hydrogen 2.959 N/A TRP 257.A NE1 GLU 110.A OE1 no hydrogen 2.679 N/A MET 258.A N HIS 255.A O no hydrogen 2.810 N/A GLN 259.A N PRO 256.A O no hydrogen 3.115 N/A GLN 259.A NE2 ASN 254.A O no hydrogen 3.383 N/A LEU 263.A N GLU 266.A OE2 no hydrogen 3.011 N/A GLN 265.A NE2 ASN 147.A O no hydrogen 3.170 N/A THR 267.A N LEU 263.A O no hydrogen 2.793 N/A THR 267.A OG1 SER 115.A OG no hydrogen 2.582 N/A THR 267.A OG1 LEU 263.A O no hydrogen 2.865 N/A ALA 268.A N PRO 264.A O no hydrogen 2.924 N/A GLU 269.A N GLN 265.A O no hydrogen 2.845 N/A ILE 270.A N GLU 266.A O no hydrogen 2.968 N/A HIS 271.A N THR 267.A O no hydrogen 2.768 N/A HIS 271.A NE2 GLU 111.A OE1 no hydrogen 2.753 N/A LEU 272.A N ALA 268.A O no hydrogen 2.717 N/A HIS 273.A N ALA 268.A O no hydrogen 2.643 N/A SER 274.A OG ILE 270.A O no hydrogen 2.925 N/A LEU 275.A N LEU 272.A O no hydrogen 3.273 N/A