Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a6s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 4.A N SER 179.A O no hydrogen 2.897 N/A ALA 5.A N GLY 26.A O no hydrogen 3.255 N/A ASP 6.A N ASP 177.A O no hydrogen 2.950 N/A ILE 7.A N ILE 28.A O no hydrogen 2.976 N/A SER 8.A N ASN 11.A OD1 no hydrogen 2.963 N/A ASN 9.A N ASP 39.A OD2 no hydrogen 2.706 N/A LEU 10.A N SER 8.A OG no hydrogen 3.229 N/A ASN 11.A N SER 8.A O no hydrogen 2.947 N/A ASN 11.A ND2 SER 173.A O no hydrogen 2.893 N/A ASN 11.A ND2 TYR 175.A O no hydrogen 2.925 N/A GLY 12.A N ASN 9.A O no hydrogen 3.023 N/A LYS 17.A N ASP 15.A OD1 no hydrogen 3.090 N/A LEU 18.A N ASP 15.A O no hydrogen 2.954 N/A PHE 20.A N VAL 16.A O no hydrogen 3.033 N/A ASN 21.A N LYS 17.A O no hydrogen 2.823 N/A LEU 22.A N LEU 18.A O no hydrogen 3.301 N/A LEU 22.A N LEU 19.A O no hydrogen 3.035 N/A GLY 23.A N PHE 20.A O no hydrogen 2.881 N/A TYR 24.A N LEU 19.A O no hydrogen 3.236 N/A ILE 25.A N LYS 3.A O no hydrogen 2.854 N/A ILE 27.A N ILE 55.A O no hydrogen 2.874 N/A ILE 28.A N ALA 5.A O no hydrogen 2.816 N/A ALA 29.A N GLY 57.A O no hydrogen 2.919 N/A LYS 30.A N ILE 7.A O no hydrogen 2.927 N/A LYS 30.A NZ GLU 33.A OE1 no hydrogen 2.735 N/A ALA 31.A N TYR 59.A O no hydrogen 2.888 N/A SER 32.A OG HIS 60.A ND1 no hydrogen 2.775 N/A GLU 33.A N PHE 37.A O no hydrogen 3.001 N/A GLY 34.A N PHE 61.A O no hydrogen 2.948 N/A PHE 37.A N GLU 33.A O no hydrogen 3.154 N/A ASP 39.A N ALA 31.A O no hydrogen 3.108 N/A TYR 41.A N ASP 39.A OD1 no hydrogen 2.999 N/A TYR 42.A N ASP 39.A O no hydrogen 3.335 N/A TYR 42.A OH THR 84.A OG1 no hydrogen 2.742 N/A ASN 45.A N TYR 41.A O no hydrogen 2.981 N/A TYR 46.A N TYR 42.A O no hydrogen 2.852 N/A THR 47.A N LYS 43.A O no hydrogen 2.860 N/A THR 47.A OG1 LYS 43.A O no hydrogen 2.649 N/A ASN 48.A N GLN 44.A O no hydrogen 2.854 N/A THR 49.A N ASN 45.A O no hydrogen 3.198 N/A THR 49.A OG1 ASN 45.A O no hydrogen 2.681 N/A LYS 50.A N TYR 46.A O no hydrogen 2.832 N/A LYS 50.A NZ TYR 46.A OH no hydrogen 2.774 N/A LYS 50.A NZ THR 85.A O no hydrogen 3.088 N/A ALA 51.A N THR 47.A O no hydrogen 2.932 N/A GLN 52.A N THR 49.A O no hydrogen 3.255 N/A GLY 53.A N LYS 50.A O no hydrogen 2.942 N/A LYS 54.A N THR 49.A O no hydrogen 3.117 N/A ILE 55.A N ILE 25.A O no hydrogen 3.044 N/A THR 56.A N ASP 87.A OD2 no hydrogen 3.082 N/A GLY 57.A N ILE 27.A O no hydrogen 3.148 N/A ALA 58.A N PHE 88.A O no hydrogen 3.308 N/A TYR 59.A N ALA 29.A O no hydrogen 2.869 N/A HIS 60.A N VAL 90.A O no hydrogen 2.851 N/A HIS 60.A ND1 SER 32.A OG no hydrogen 2.775 N/A HIS 60.A NE2 GLU 73.A OE1 no hydrogen 2.796 N/A PHE 61.A N SER 32.A O no hydrogen 2.974 N/A ALA 62.A N ASP 92.A O no hydrogen 2.936 N/A ASN 63.A N GLU 73.A OE1 no hydrogen 2.873 N/A ASN 63.A N GLU 73.A OE2 no hydrogen 3.237 N/A LYS 69.A N THR 66.A OG1 no hydrogen 3.182 N/A LYS 69.A NZ GLU 73.A OE2 no hydrogen 2.519 N/A ALA 70.A N THR 66.A O no hydrogen 2.925 N/A GLN 71.A N ILE 67.A O no hydrogen 2.996 N/A GLN 72.A N ALA 68.A O no hydrogen 3.104 N/A GLN 72.A NE2 GLY 35.A O no hydrogen 3.145 N/A GLU 73.A N LYS 69.A O no hydrogen 2.902 N/A ALA 74.A N ALA 70.A O no hydrogen 2.893 N/A ASN 75.A N GLN 71.A O no hydrogen 3.059 N/A PHE 76.A N GLN 72.A O no hydrogen 3.035 N/A PHE 77.A N GLU 73.A O no hydrogen 2.879 N/A LEU 78.A N ALA 74.A O no hydrogen 3.001 N/A ASN 79.A N ASN 75.A O no hydrogen 3.013 N/A CYS 80.A N PHE 76.A O no hydrogen 2.877 N/A CYS 80.A SG PHE 76.A O no hydrogen 3.489 N/A ILE 81.A N PHE 77.A O no hydrogen 3.089 N/A ALA 82.A N ASN 79.A O no hydrogen 3.397 N/A THR 84.A N ILE 81.A O no hydrogen 2.938 N/A THR 84.A OG1 TYR 42.A OH no hydrogen 2.742 N/A THR 84.A OG1 ILE 81.A O no hydrogen 2.656 N/A THR 85.A N TYR 46.A OH no hydrogen 2.868 N/A ASP 87.A N THR 56.A OG1 no hydrogen 3.110 N/A VAL 89.A N LYS 117.A O no hydrogen 2.947 N/A VAL 90.A N ALA 58.A O no hydrogen 2.944 N/A LEU 91.A N VAL 119.A O no hydrogen 2.942 N/A ASP 92.A N HIS 60.A O no hydrogen 2.891 N/A LEU 93.A N TYR 121.A O no hydrogen 2.907 N/A GLN 95.A N GLN 95.A OE1 no hydrogen 2.709 N/A GLN 95.A NE2 PHE 64.A O no hydrogen 2.865 N/A CYS 97.A SG GLN 95.A O no hydrogen 3.766 N/A ILE 101.A N HIS 130.A O no hydrogen 2.885 N/A THR 102.A N ASP 100.A OD1 no hydrogen 2.898 N/A THR 102.A OG1 ASP 100.A OD1 no hydrogen 2.713 N/A CYS 105.A N ILE 101.A O no hydrogen 3.033 N/A CYS 105.A SG ILE 101.A O no hydrogen 3.512 N/A LEU 106.A N THR 102.A O no hydrogen 2.985 N/A ALA 107.A N ASP 103.A O no hydrogen 3.063 N/A PHE 108.A N ALA 104.A O no hydrogen 3.121 N/A LEU 109.A N CYS 105.A O no hydrogen 2.983 N/A ASN 110.A N LEU 106.A O no hydrogen 2.721 N/A VAL 112.A N PHE 108.A O no hydrogen 3.164 N/A ALA 113.A N LEU 109.A O no hydrogen 2.718 N/A LYS 114.A NZ ILE 111.A O no hydrogen 2.891 N/A LYS 115.A N VAL 112.A O no hydrogen 2.936 N/A PHE 116.A N VAL 112.A O no hydrogen 2.973 N/A CYS 118.A SG PHE 116.A O no hydrogen 3.450 N/A VAL 119.A N VAL 89.A O no hydrogen 2.844 N/A VAL 120.A N PRO 139.A O no hydrogen 2.888 N/A TYR 121.A N LEU 91.A O no hydrogen 2.848 N/A TYR 121.A OH TYR 145.A OH no hydrogen 3.423 N/A CYS 122.A N TRP 141.A O no hydrogen 3.264 N/A SER 124.A OG ASN 144.A OD1 no hydrogen 2.932 N/A SER 124.A OG ALA 151.A O no hydrogen 2.359 N/A SER 125.A OG GLU 129.A OE2 no hydrogen 2.987 N/A PHE 126.A N ASN 123.A OD1 no hydrogen 2.905 N/A ILE 127.A N ASN 123.A O no hydrogen 3.237 N/A LYS 128.A N SER 124.A O no hydrogen 3.265 N/A GLU 129.A N SER 125.A O no hydrogen 2.881 N/A HIS 130.A N PHE 126.A O no hydrogen 2.818 N/A HIS 130.A ND1 GLY 99.A O no hydrogen 2.732 N/A LEU 131.A N ILE 127.A O no hydrogen 2.977 N/A ASN 132.A N THR 102.A OG1 no hydrogen 2.762 N/A ASN 132.A ND2 ASP 100.A OD2 no hydrogen 2.821 N/A LYS 134.A N ASN 132.A OD1 no hydrogen 2.992 N/A ILE 135.A N ASN 132.A O no hydrogen 2.963 N/A CYS 136.A N SER 133.A O no hydrogen 3.088 N/A ALA 137.A N LYS 134.A O no hydrogen 3.495 N/A TYR 138.A N ILE 135.A O no hydrogen 3.171 N/A TRP 141.A N VAL 120.A O no hydrogen 2.805 N/A TRP 141.A NE1 SER 179.A OG no hydrogen 2.822 N/A ILE 142.A N MET 160.A O no hydrogen 2.921 N/A ALA 143.A N CYS 122.A O no hydrogen 3.019 N/A ASN 144.A N GLN 162.A O no hydrogen 3.121 N/A ASN 144.A ND2 ALA 151.A O no hydrogen 3.453 N/A TYR 145.A OH TYR 121.A OH no hydrogen 3.423 N/A TRP 155.A N THR 153.A O no hydrogen 2.900 N/A TRP 155.A NE1 TYR 138.A O no hydrogen 2.749 N/A ALA 159.A N LEU 140.A O no hydrogen 2.768 N/A MET 160.A N LEU 140.A O no hydrogen 3.280 N/A TRP 161.A N TYR 180.A O no hydrogen 2.951 N/A TRP 161.A NE1 ASN 144.A O no hydrogen 2.844 N/A GLN 162.A N ILE 142.A O no hydrogen 2.849 N/A GLN 162.A NE2 TYR 121.A OH no hydrogen 2.609 N/A PHE 163.A N PHE 178.A O no hydrogen 2.875 N/A LYS 166.A N THR 164.A OG1 no hydrogen 3.054 N/A GLY 167.A N ILE 176.A O no hydrogen 2.899 N/A ILE 172.A N VAL 169.A O no hydrogen 2.972 N/A ILE 176.A N GLY 167.A O no hydrogen 2.943 N/A ASP 177.A N ASP 6.A O no hydrogen 3.240 N/A PHE 178.A N THR 164.A O no hydrogen 3.106 N/A SER 179.A N ILE 4.A O no hydrogen 2.940 N/A TYR 180.A N TRP 161.A O no hydrogen 2.873 N/A ILE 181.A N LYS 2.A O no hydrogen 2.971 N/A THR 182.A N ALA 159.A O no hydrogen 3.158 N/A THR 182.A OG1 ALA 159.A O no hydrogen 3.382 N/A PHE 185.A N THR 182.A OG1 no hydrogen 2.987 N/A ILE 186.A N THR 182.A O no hydrogen 3.143 N/A LYS 187.A N ASP 183.A O no hydrogen 3.048 N/A TYR 188.A N GLU 184.A O no hydrogen 3.063 N/A ILE 189.A N PHE 185.A O no hydrogen 2.939 N/A LYS 190.A N ILE 186.A O no hydrogen 3.072 N/A GLY 191.A N TYR 188.A O no hydrogen 3.063 N/A GLU 192.A N LYS 187.A O no hydrogen 3.060 N/A VAL 195.A N ASN 232.A O no hydrogen 3.274 N/A LEU 198.A N ASN 235.A O no hydrogen 3.085 N/A VAL 199.A N PRO 220.A O no hydrogen 3.246 N/A VAL 200.A N TYR 237.A O no hydrogen 2.762 N/A TYR 201.A N ILE 222.A O no hydrogen 3.314 N/A GLN 207.A N GLY 204.A O no hydrogen 3.036 N/A ARG 208.A N ALA 205.A O no hydrogen 2.998 N/A ALA 210.A N ASP 206.A O no hydrogen 2.976 N/A GLU 211.A N GLN 207.A O no hydrogen 3.051 N/A TYR 212.A N ARG 208.A O no hydrogen 3.435 N/A LEU 213.A N ALA 209.A O no hydrogen 3.164 N/A ALA 214.A N ALA 210.A O no hydrogen 2.875 N/A ASP 215.A N GLU 211.A O no hydrogen 2.919 N/A ARG 216.A N TYR 212.A O no hydrogen 3.087 N/A ARG 216.A NH1 ARG 216.A O no hydrogen 3.264 N/A LEU 217.A N LEU 213.A O no hydrogen 2.858 N/A ALA 218.A N ASP 215.A O no hydrogen 3.211 N/A CYS 219.A N ALA 214.A O no hydrogen 3.001 N/A CYS 219.A SG PRO 220.A O no hydrogen 3.410 N/A THR 221.A OG1 GLU 211.A OE2 no hydrogen 3.485 N/A ILE 222.A N VAL 199.A O no hydrogen 2.823 N/A ASN 223.A ND2 ASP 203.A OD1 no hydrogen 2.705 N/A ASN 224.A N TYR 201.A O no hydrogen 2.815 N/A ASN 224.A ND2 ASN 202.A OD1 no hydrogen 3.001 N/A ASN 224.A ND2 GLN 245.A O no hydrogen 2.836 N/A ALA 225.A N ASN 223.A OD1 no hydrogen 2.863 N/A ARG 226.A N ASN 223.A O no hydrogen 2.968 N/A SER 231.A N ASP 229.A OD1 no hydrogen 3.038 N/A SER 231.A OG ASP 229.A OD1 no hydrogen 2.762 N/A SER 231.A OG ASP 229.A OD2 no hydrogen 3.274 N/A VAL 233.A N TYR 230.A O no hydrogen 3.013 N/A LYS 234.A N VAL 195.A O no hydrogen 2.937 N/A ASN 235.A N GLU 196.A O no hydrogen 2.968 N/A ASN 235.A ND2 GLU 196.A O no hydrogen 3.029 N/A VAL 236.A N THR 251.A OG1 no hydrogen 3.293 N/A TYR 237.A N LEU 198.A O no hydrogen 2.873 N/A ALA 238.A N THR 252.A O no hydrogen 2.865 N/A VAL 239.A N VAL 200.A O no hydrogen 2.959 N/A GLY 240.A N ILE 254.A O no hydrogen 2.909 N/A ASN 242.A N GLN 245.A OE1 no hydrogen 2.862 N/A GLN 245.A N ASN 242.A O no hydrogen 3.044 N/A TYR 246.A N LYS 243.A O no hydrogen 3.020 N/A TYR 246.A OH GLY 240.A O no hydrogen 2.589 N/A TYR 249.A N THR 247.A OG1 no hydrogen 3.181 N/A LEU 250.A N THR 247.A O no hydrogen 3.130 N/A THR 251.A N VAL 236.A O no hydrogen 2.903 N/A THR 251.A OG1 VAL 236.A O no hydrogen 3.321 N/A THR 252.A N VAL 236.A O no hydrogen 3.001 N/A ILE 254.A N ALA 238.A O no hydrogen 2.958 N/A GLY 256.A N THR 262.A OG1 no hydrogen 2.756 N/A THR 258.A N THR 261.A OG1 no hydrogen 3.201 N/A THR 261.A N THR 258.A OG1 no hydrogen 3.181 N/A THR 261.A OG1 THR 258.A O no hydrogen 3.313 N/A THR 262.A N THR 258.A O no hydrogen 2.925 N/A THR 262.A OG1 GLY 256.A O no hydrogen 3.339 N/A THR 262.A OG1 THR 258.A O no hydrogen 3.203 N/A MET 263.A N ARG 259.A O no hydrogen 2.976 N/A GLN 264.A N TYR 260.A O no hydrogen 2.895 N/A GLN 264.A NE2 GLN 264.A O no hydrogen 3.342 N/A GLN 264.A NE2 ASP 268.A OD1 no hydrogen 3.059 N/A ALA 265.A N THR 261.A O no hydrogen 2.776 N/A VAL 266.A N THR 262.A O no hydrogen 2.945 N/A LEU 267.A N MET 263.A O no hydrogen 2.944 N/A ASP 268.A N GLN 264.A O no hydrogen 2.846 N/A TYR 269.A N ALA 265.A O no hydrogen 2.876 N/A ILE 270.A N VAL 266.A O no hydrogen 2.870 N/A LYS 271.A N LEU 267.A O no hydrogen 2.928 N/A ASN 272.A N ASP 268.A O no hydrogen 3.058 N/A LEU 273.A N TYR 269.A O no hydrogen 3.170 N/A