Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6aaj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N VAL 73.A O no hydrogen 3.249 N/A PHE 2.A N VAL 73.A O no hydrogen 3.009 N/A GLU 3.A N TYR 26.A OH no hydrogen 3.269 N/A HIS 6.A N GLU 3.A O no hydrogen 2.757 N/A LEU 7.A N GLU 4.A O no hydrogen 3.116 N/A LYS 8.A N ARG 25.A O no hydrogen 2.744 N/A LYS 8.A NZ ARG 5.A O no hydrogen 2.604 N/A LEU 10.A N MET 23.A O no hydrogen 2.837 N/A GLN 11.A N MET 23.A O no hydrogen 3.268 N/A GLN 11.A NE2 GLN 12.A O no hydrogen 3.333 N/A LEU 13.A N VAL 21.A O no hydrogen 2.871 N/A GLY 14.A N VAL 21.A O no hydrogen 3.319 N/A GLY 16.A N GLY 19.A O no hydrogen 3.000 N/A ASN 17.A ND2 ASP 129.A OD2 no hydrogen 3.253 N/A SER 20.A N LYS 41.A O no hydrogen 2.890 N/A VAL 21.A N GLY 14.A O no hydrogen 2.962 N/A GLU 22.A N VAL 39.A O no hydrogen 2.761 N/A MET 23.A N GLN 11.A O no hydrogen 2.711 N/A CYS 24.A N VAL 37.A O no hydrogen 2.909 N/A CYS 24.A SG GLU 22.A OE1 no hydrogen 3.827 N/A ARG 25.A N LYS 8.A O no hydrogen 2.711 N/A TYR 26.A N GLU 35.A O no hydrogen 2.899 N/A ASP 27.A N HIS 6.A O no hydrogen 2.949 N/A GLN 30.A N ASP 27.A O no hydrogen 3.032 N/A ASN 32.A ND2 ASN 32.A O no hydrogen 2.991 N/A THR 33.A N ASP 31.A OD1 no hydrogen 2.809 N/A THR 33.A OG1 ASP 31.A OD1 no hydrogen 2.648 N/A VAL 37.A N CYS 24.A O no hydrogen 2.811 N/A ALA 38.A N MET 82.A O no hydrogen 3.048 N/A VAL 39.A N GLU 22.A O no hydrogen 2.688 N/A LYS 40.A N LEU 80.A O no hydrogen 2.784 N/A LYS 40.A NZ GLU 55.A OE1 no hydrogen 3.300 N/A LYS 40.A NZ GLU 55.A OE2 no hydrogen 3.264 N/A LYS 41.A N SER 20.A O no hydrogen 3.083 N/A LYS 41.A NZ GLU 22.A OE2 no hydrogen 3.079 N/A THR 45.A OG1 HIS 48.A ND1 no hydrogen 2.948 N/A HIS 48.A N THR 45.A OG1 no hydrogen 2.986 N/A LEU 49.A N THR 45.A O no hydrogen 3.284 N/A ARG 50.A N GLU 46.A O no hydrogen 2.883 N/A ASP 51.A N GLU 47.A O no hydrogen 3.197 N/A PHE 52.A N HIS 48.A O no hydrogen 2.774 N/A GLU 53.A N LEU 49.A O no hydrogen 3.083 N/A ARG 54.A N ARG 50.A O no hydrogen 3.163 N/A GLU 55.A N ASP 51.A O no hydrogen 2.854 N/A ILE 56.A N PHE 52.A O no hydrogen 2.920 N/A GLU 57.A N GLU 53.A O no hydrogen 3.268 N/A ILE 58.A N ARG 54.A O no hydrogen 2.855 N/A LEU 59.A N GLU 55.A O no hydrogen 2.884 N/A LYS 60.A N ILE 56.A O no hydrogen 2.823 N/A SER 61.A N GLU 57.A O no hydrogen 3.044 N/A SER 61.A N ILE 58.A O no hydrogen 3.001 N/A SER 61.A OG ILE 58.A O no hydrogen 2.864 N/A SER 61.A OG TYR 125.A OH no hydrogen 2.580 N/A LEU 62.A N LEU 59.A O no hydrogen 3.145 N/A GLN 63.A N TYR 119.A OH no hydrogen 3.141 N/A GLN 63.A NE2 LYS 60.A O no hydrogen 3.252 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 3.086 N/A ASN 66.A ND2 VAL 143.A O no hydrogen 3.125 N/A VAL 68.A N ILE 145.A O no hydrogen 2.916 N/A LYS 69.A N GLU 83.A OE1 no hydrogen 2.883 N/A LYS 71.A N ILE 81.A O no hydrogen 2.965 N/A GLY 72.A N ILE 81.A O no hydrogen 3.303 N/A CYS 74.A N LYS 79.A O no hydrogen 2.972 N/A CYS 74.A SG PHE 2.A O no hydrogen 3.354 N/A ASN 77.A ND2 ASN 77.A O no hydrogen 2.780 N/A LYS 79.A N CYS 74.A O no hydrogen 3.247 N/A LYS 79.A NZ GLU 4.A OE1 no hydrogen 3.005 N/A LEU 80.A N LYS 40.A O no hydrogen 2.913 N/A ILE 81.A N GLY 72.A O no hydrogen 2.948 N/A MET 82.A N ALA 38.A O no hydrogen 2.799 N/A GLU 83.A N LYS 69.A O no hydrogen 3.096 N/A GLY 88.A N LEU 85.A O no hydrogen 3.214 N/A SER 89.A OG ASP 92.A OD2 no hydrogen 2.551 N/A LEU 90.A N ILE 135.A O no hydrogen 2.792 N/A ASP 92.A N SER 89.A OG no hydrogen 3.291 N/A TYR 93.A N SER 89.A O no hydrogen 2.852 N/A LEU 94.A N LEU 90.A O no hydrogen 2.842 N/A GLN 95.A N ARG 91.A O no hydrogen 3.263 N/A GLN 95.A NE2 ILE 202.A O no hydrogen 3.326 N/A ALA 96.A N ASP 92.A O no hydrogen 2.889 N/A HIS 97.A N TYR 93.A O no hydrogen 2.820 N/A GLU 99.A N GLU 99.A OE2 no hydrogen 3.283 N/A ARG 100.A N HIS 97.A O no hydrogen 3.020 N/A ARG 100.A NH1 GLU 140.A OE2 no hydrogen 3.387 N/A ILE 101.A N ALA 98.A O no hydrogen 3.369 N/A LYS 105.A N ASP 102.A OD1 no hydrogen 2.926 N/A LYS 105.A NZ GLN 108.A OE1 no hydrogen 2.929 N/A LYS 105.A NZ GLU 140.A O no hydrogen 3.174 N/A LEU 106.A N ASP 102.A O no hydrogen 3.101 N/A LEU 107.A N HIS 103.A O no hydrogen 2.989 N/A LEU 107.A N ILE 104.A O no hydrogen 2.882 N/A GLN 108.A N ILE 104.A O no hydrogen 2.965 N/A GLN 108.A N LYS 105.A O no hydrogen 3.101 N/A GLN 108.A NE2 ASN 141.A O no hydrogen 2.777 N/A GLN 108.A NE2 ASN 141.A OD1 no hydrogen 3.500 N/A TYR 109.A N LYS 105.A O no hydrogen 3.147 N/A TYR 109.A OH GLU 140.A O no hydrogen 3.122 N/A THR 110.A N LEU 106.A O no hydrogen 3.005 N/A THR 110.A OG1 LEU 106.A O no hydrogen 2.853 N/A SER 111.A N LEU 107.A O no hydrogen 2.982 N/A SER 111.A OG ASP 275.A OD1 no hydrogen 2.711 N/A GLN 112.A N GLN 108.A O no hydrogen 3.083 N/A GLN 112.A NE2 ASN 141.A O no hydrogen 2.627 N/A ILE 113.A N TYR 109.A O no hydrogen 2.866 N/A CYS 114.A N THR 110.A O no hydrogen 2.992 N/A CYS 114.A SG THR 110.A O no hydrogen 3.725 N/A LYS 115.A N SER 111.A O no hydrogen 3.029 N/A GLY 116.A N GLN 112.A O no hydrogen 3.196 N/A MET 117.A N ILE 113.A O no hydrogen 3.040 N/A GLU 118.A N CYS 114.A O no hydrogen 2.760 N/A TYR 119.A N LYS 115.A O no hydrogen 3.028 N/A LEU 120.A N GLY 116.A O no hydrogen 2.915 N/A GLY 121.A N MET 117.A O no hydrogen 2.945 N/A THR 122.A N GLU 118.A O no hydrogen 3.256 N/A THR 122.A OG1 TYR 119.A O no hydrogen 2.869 N/A LYS 123.A N LEU 120.A O no hydrogen 3.050 N/A LYS 123.A NZ SER 61.A O no hydrogen 2.819 N/A ARG 124.A N GLY 121.A O no hydrogen 2.647 N/A ARG 124.A NH1 GLU 159.A OE1 no hydrogen 3.197 N/A ARG 124.A NH2 PRO 155.A O no hydrogen 2.817 N/A ARG 124.A NH2 LYS 158.A O no hydrogen 2.907 N/A ARG 124.A NH2 GLU 159.A OE1 no hydrogen 3.429 N/A TYR 125.A N LEU 120.A O no hydrogen 3.082 N/A TYR 125.A OH SER 61.A OG no hydrogen 2.580 N/A ILE 126.A N LYS 152.A O no hydrogen 2.662 N/A HIS 127.A N ASP 187.A OD2 no hydrogen 2.673 N/A HIS 127.A NE2 GLY 146.A O no hydrogen 3.363 N/A ARG 128.A N ASP 187.A OD1 no hydrogen 2.982 N/A ARG 128.A NH1 LEU 150.A O no hydrogen 2.746 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 2.938 N/A THR 132.A N GLU 197.A OE2 no hydrogen 2.850 N/A THR 132.A OG1 GLU 197.A OE1 no hydrogen 2.798 N/A ASN 134.A N ALA 131.A O no hydrogen 2.886 N/A ASN 134.A ND2 ASP 129.A O no hydrogen 2.509 N/A ILE 135.A N THR 132.A O no hydrogen 3.208 N/A LEU 136.A N LYS 144.A O no hydrogen 2.735 N/A VAL 137.A N GLY 88.A O no hydrogen 2.944 N/A GLU 138.A N ARG 142.A O no hydrogen 2.832 N/A ASN 139.A N ARG 142.A O no hydrogen 3.377 N/A ASN 141.A N ASN 139.A OD1 no hydrogen 2.772 N/A ARG 142.A N ASN 139.A O no hydrogen 2.952 N/A VAL 143.A N GLN 112.A OE1 no hydrogen 2.705 N/A LYS 144.A N LEU 136.A O no hydrogen 2.782 N/A LYS 144.A NZ GLU 83.A OE1 no hydrogen 2.693 N/A LYS 144.A NZ GLU 83.A OE2 no hydrogen 3.279 N/A ILE 145.A N ASN 66.A O no hydrogen 2.807 N/A GLY 146.A N ASN 134.A O no hydrogen 2.927 N/A THR 151.A N PHE 148.A O no hydrogen 3.325 N/A THR 151.A OG1 HIS 127.A O no hydrogen 3.286 N/A LYS 152.A N ILE 126.A O no hydrogen 2.847 N/A LEU 154.A N ARG 124.A O no hydrogen 2.850 N/A LYS 158.A N PRO 155.A O no hydrogen 3.282 N/A VAL 161.A N SER 180.A O no hydrogen 2.861 N/A SER 167.A OG GLY 165.A O no hydrogen 2.596 N/A TRP 171.A N PRO 168.A O no hydrogen 3.100 N/A TRP 171.A NE1 GLU 197.A OE2 no hydrogen 3.105 N/A TYR 172.A N ILE 169.A O no hydrogen 3.180 N/A GLU 175.A N GLU 175.A OE1 no hydrogen 2.862 N/A SER 176.A N ALA 173.A O no hydrogen 3.060 N/A SER 176.A OG LYS 181.A O no hydrogen 2.823 N/A LEU 177.A N ALA 173.A O no hydrogen 3.170 N/A THR 178.A N PRO 174.A O no hydrogen 3.015 N/A THR 178.A OG1 PRO 174.A O no hydrogen 2.990 N/A GLU 179.A N GLU 175.A O no hydrogen 3.146 N/A LYS 181.A N GLU 175.A O no hydrogen 3.309 N/A LYS 181.A NZ GLU 179.A OE2 no hydrogen 3.031 N/A SER 183.A N SER 186.A OG no hydrogen 2.727 N/A SER 186.A N SER 183.A OG no hydrogen 3.162 N/A SER 186.A OG SER 183.A O no hydrogen 2.875 N/A ASP 187.A N SER 183.A O no hydrogen 2.925 N/A VAL 188.A N VAL 184.A O no hydrogen 2.874 N/A TRP 189.A N ALA 185.A O no hydrogen 3.082 N/A SER 190.A N SER 186.A O no hydrogen 3.112 N/A SER 190.A OG TRP 171.A O no hydrogen 2.472 N/A SER 190.A OG SER 186.A O no hydrogen 3.372 N/A PHE 191.A N ASP 187.A O no hydrogen 2.824 N/A GLY 192.A N VAL 188.A O no hydrogen 3.079 N/A VAL 193.A N TRP 189.A O no hydrogen 3.223 N/A VAL 194.A N SER 190.A O no hydrogen 2.873 N/A LEU 195.A N PHE 191.A O no hydrogen 2.901 N/A TYR 196.A N GLY 192.A O no hydrogen 3.092 N/A TYR 196.A OH LYS 206.A O no hydrogen 2.576 N/A GLU 197.A N VAL 193.A O no hydrogen 2.774 N/A LEU 198.A N VAL 194.A O no hydrogen 3.026 N/A PHE 199.A N LEU 195.A O no hydrogen 3.218 N/A THR 200.A N TYR 196.A O no hydrogen 3.142 N/A THR 200.A OG1 GLU 197.A O no hydrogen 2.585 N/A TYR 201.A N LEU 198.A O no hydrogen 2.869 N/A TYR 201.A OH ILE 101.A O no hydrogen 2.777 N/A ILE 202.A N THR 200.A OG1 no hydrogen 3.127 N/A GLU 203.A N THR 200.A O no hydrogen 3.168 N/A LYS 206.A N GLU 203.A O no hydrogen 3.242 N/A SER 207.A N LYS 204.A O no hydrogen 3.323 N/A SER 207.A OG LYS 204.A O no hydrogen 3.193 N/A ALA 210.A N SER 207.A OG no hydrogen 3.412 N/A GLU 211.A N SER 207.A O no hydrogen 2.952 N/A PHE 212.A N PRO 208.A O no hydrogen 3.081 N/A MET 213.A N PRO 209.A O no hydrogen 3.070 N/A ARG 214.A N ALA 210.A O no hydrogen 3.067 N/A ARG 214.A NE GLU 211.A OE1 no hydrogen 3.087 N/A ARG 214.A NH2 SER 205.A O no hydrogen 2.613 N/A MET 215.A N GLU 211.A O no hydrogen 3.398 N/A ILE 216.A N PHE 212.A O no hydrogen 2.913 N/A GLY 217.A N MET 213.A O no hydrogen 2.839 N/A LYS 220.A N GLY 217.A O no hydrogen 3.136 N/A MET 224.A N GLN 221.A O no hydrogen 3.231 N/A HIS 228.A N MET 224.A O no hydrogen 2.899 N/A LEU 229.A N ILE 225.A O no hydrogen 2.970 N/A ILE 230.A N VAL 226.A O no hydrogen 2.958 N/A GLU 231.A N PHE 227.A O no hydrogen 3.027 N/A LEU 232.A N HIS 228.A O no hydrogen 2.783 N/A LEU 233.A N LEU 229.A O no hydrogen 2.937 N/A LYS 234.A N ILE 230.A O no hydrogen 2.926 N/A ASN 235.A N GLU 231.A O no hydrogen 2.991 N/A ASN 236.A N LEU 233.A O no hydrogen 3.103 N/A GLY 237.A N LEU 232.A O no hydrogen 2.781 N/A ARG 238.A NE TRP 257.A O no hydrogen 3.053 N/A ARG 238.A NH1 LEU 233.A O no hydrogen 3.160 N/A ARG 238.A NH1 GLY 237.A O no hydrogen 2.948 N/A ARG 238.A NH2 TRP 257.A O no hydrogen 2.722 N/A ARG 238.A NH2 ASN 259.A OD1 no hydrogen 3.252 N/A CYS 245.A N PRO 242.A O no hydrogen 2.950 N/A CYS 245.A SG PRO 246.A O no hydrogen 3.534 N/A ILE 249.A N PRO 246.A O no hydrogen 3.130 N/A TYR 250.A N PRO 246.A O no hydrogen 3.148 N/A TYR 250.A OH LEU 239.A O no hydrogen 2.589 N/A MET 251.A N ASP 247.A O no hydrogen 2.927 N/A MET 253.A N ILE 249.A O no hydrogen 3.453 N/A THR 254.A N TYR 250.A O no hydrogen 2.942 N/A THR 254.A OG1 TYR 250.A O no hydrogen 3.159 N/A THR 254.A OG1 MET 251.A O no hydrogen 3.366 N/A GLU 255.A N MET 251.A O no hydrogen 2.954 N/A CYS 256.A N ILE 252.A O no hydrogen 2.942 N/A CYS 256.A SG VAL 188.A O no hydrogen 3.573 N/A CYS 256.A SG ILE 252.A O no hydrogen 3.267 N/A TRP 257.A N MET 253.A O no hydrogen 2.901 N/A ASN 259.A ND2 LEU 233.A O no hydrogen 3.313 N/A ASN 260.A N ASN 258.A OD1 no hydrogen 3.384 N/A ASN 262.A N ASN 260.A OD1 no hydrogen 3.094 N/A GLN 263.A N ASN 260.A O no hydrogen 3.109 N/A ARG 264.A NE ASN 258.A O no hydrogen 2.712 N/A ARG 264.A NH1 GLU 175.A OE1 no hydrogen 3.271 N/A ARG 264.A NH1 GLU 175.A OE2 no hydrogen 2.662 N/A ARG 264.A NH1 ALA 185.A O no hydrogen 3.287 N/A ARG 264.A NH2 GLU 175.A OE1 no hydrogen 2.786 N/A ARG 264.A NH2 ASN 258.A O no hydrogen 2.788 N/A SER 266.A N ASP 269.A OD2 no hydrogen 3.444 N/A ASP 269.A N SER 266.A OG no hydrogen 3.100 N/A LEU 270.A N SER 266.A O no hydrogen 2.885 N/A ALA 271.A N PHE 267.A O no hydrogen 2.844 N/A LEU 272.A N ARG 268.A O no hydrogen 3.321 N/A ARG 273.A N ASP 269.A O no hydrogen 2.840 N/A ARG 273.A NH1 GLU 255.A OE1 no hydrogen 2.645 N/A ARG 273.A NH2 GLU 255.A OE1 no hydrogen 2.902 N/A VAL 274.A N LEU 270.A O no hydrogen 2.955 N/A ASP 275.A N ALA 271.A O no hydrogen 3.083 N/A GLN 276.A N LEU 272.A O no hydrogen 3.137 N/A GLN 276.A N ARG 273.A O no hydrogen 3.304 N/A ILE 277.A N ARG 273.A O no hydrogen 3.209 N/A ARG 278.A N VAL 274.A O no hydrogen 2.904 N/A ARG 278.A NH2 ASP 275.A OD1 no hydrogen 2.755 N/A ASP 279.A N ASP 275.A O no hydrogen 2.807 N/A ASN 280.A N ILE 277.A O no hydrogen 3.261 N/A MET 281.A N ARG 278.A O no hydrogen 3.278 N/A