Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 9aya_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N GLN 5.A OE1 no hydrogen 3.222 N/A GLN 5.A N ASP 2.A OD1 no hydrogen 2.740 N/A GLN 5.A NE2 TYR 84.A OH no hydrogen 3.360 N/A ARG 6.A N ASP 2.A O no hydrogen 2.875 N/A LYS 7.A N GLU 3.A O no hydrogen 2.968 N/A ARG 8.A N GLN 4.A O no hydrogen 3.120 N/A ARG 8.A NH1 ARG 160.A O no hydrogen 3.536 N/A LEU 9.A N GLN 5.A O no hydrogen 2.956 N/A GLU 10.A N ARG 6.A O no hydrogen 3.193 N/A ALA 11.A N LYS 7.A O no hydrogen 3.110 N/A PHE 12.A N ARG 8.A O no hydrogen 2.939 N/A LEU 13.A N LEU 9.A O no hydrogen 3.133 N/A THR 14.A N GLU 10.A O no hydrogen 2.812 N/A THR 14.A OG1 GLU 10.A O no hydrogen 2.509 N/A GLN 15.A N ALA 11.A O no hydrogen 3.068 N/A LYS 16.A N PHE 12.A O no hydrogen 2.781 N/A LYS 16.A NZ HIS 78.A ND1 no hydrogen 3.293 N/A LYS 16.A NZ PHE 88.A O no hydrogen 3.204 N/A GLN 17.A N LEU 13.A O no hydrogen 2.958 N/A LYS 18.A N GLN 15.A O no hydrogen 2.963 N/A VAL 19.A N LYS 16.A O no hydrogen 2.971 N/A ASP 26.A N LYS 23.A O no hydrogen 3.281 N/A PHE 27.A N ASP 24.A O no hydrogen 2.988 N/A GLU 28.A N SER 45.A O no hydrogen 3.134 N/A ILE 30.A N LYS 43.A O no hydrogen 2.752 N/A SER 31.A N LYS 43.A O no hydrogen 3.401 N/A LEU 33.A N VAL 41.A O no hydrogen 2.969 N/A GLY 34.A N VAL 41.A O no hydrogen 3.271 N/A GLY 36.A N GLY 39.A O no hydrogen 2.823 N/A ASN 37.A ND2 PHE 182.A O no hydrogen 3.404 N/A VAL 40.A N LEU 57.A O no hydrogen 2.993 N/A VAL 41.A N GLY 34.A O no hydrogen 2.807 N/A PHE 42.A N ARG 55.A O no hydrogen 3.212 N/A LYS 43.A N SER 31.A O no hydrogen 3.076 N/A LYS 43.A NZ HIS 104.A NE2 no hydrogen 3.217 N/A VAL 44.A N MET 53.A O no hydrogen 2.818 N/A SER 45.A N GLU 28.A O no hydrogen 2.930 N/A SER 45.A OG LEU 51.A O no hydrogen 3.407 N/A HIS 46.A N LEU 51.A O no hydrogen 2.897 N/A HIS 46.A ND1 SER 49.A OG no hydrogen 2.867 N/A LYS 47.A N ASP 26.A O no hydrogen 3.060 N/A SER 49.A OG HIS 46.A ND1 no hydrogen 2.867 N/A SER 49.A OG HIS 46.A O no hydrogen 3.388 N/A GLY 50.A N HIS 46.A O no hydrogen 2.530 N/A LEU 51.A N HIS 46.A O no hydrogen 3.348 N/A MET 53.A N VAL 44.A O no hydrogen 2.883 N/A ALA 54.A N MET 102.A O no hydrogen 3.071 N/A ARG 55.A N PHE 42.A O no hydrogen 2.797 N/A ARG 55.A NE SER 99.A OG no hydrogen 3.329 N/A ARG 55.A NH1 ASP 24.A OD1 no hydrogen 3.181 N/A ARG 55.A NH2 ASP 24.A OD2 no hydrogen 2.772 N/A ARG 55.A NH2 SER 99.A OG no hydrogen 3.085 N/A LYS 56.A N ILE 100.A O no hydrogen 2.936 N/A LYS 56.A NZ ASP 167.A OD1 no hydrogen 3.095 N/A LYS 56.A NZ ASP 167.A OD2 no hydrogen 2.894 N/A LEU 57.A N VAL 40.A O no hydrogen 2.776 N/A ILE 58.A N ILE 98.A O no hydrogen 2.974 N/A ARG 67.A N LYS 63.A O no hydrogen 3.087 N/A ASN 68.A N PRO 64.A O no hydrogen 3.251 N/A GLN 69.A N ALA 65.A O no hydrogen 3.014 N/A GLN 69.A NE2 GLU 73.A OE2 no hydrogen 3.210 N/A ILE 70.A N ILE 66.A O no hydrogen 3.031 N/A ILE 71.A N ARG 67.A O no hydrogen 3.094 N/A ARG 72.A N ASN 68.A O no hydrogen 2.944 N/A GLU 73.A N GLN 69.A O no hydrogen 2.857 N/A LEU 74.A N ILE 70.A O no hydrogen 2.838 N/A GLN 75.A N ARG 72.A O no hydrogen 3.137 N/A GLN 75.A NE2 ILE 71.A O no hydrogen 2.993 N/A LEU 77.A N LEU 74.A O no hydrogen 2.977 N/A HIS 78.A N GLN 75.A O no hydrogen 2.876 N/A HIS 78.A NE2 GLN 75.A OE1 no hydrogen 2.875 N/A GLU 79.A N VAL 76.A O no hydrogen 3.054 N/A CYS 80.A N LEU 77.A O no hydrogen 3.118 N/A CYS 80.A SG VAL 76.A O no hydrogen 3.706 N/A ASN 81.A N TYR 138.A OH no hydrogen 2.946 N/A ASN 81.A ND2 HIS 78.A O no hydrogen 2.996 N/A TYR 84.A N SER 82.A OG no hydrogen 3.387 N/A ILE 85.A N SER 82.A O no hydrogen 3.168 N/A VAL 86.A N LEU 165.A O no hydrogen 2.937 N/A GLY 87.A N GLU 103.A OE1 no hydrogen 2.906 N/A TYR 89.A N CYS 101.A O no hydrogen 3.086 N/A GLY 90.A N CYS 101.A O no hydrogen 3.421 N/A PHE 92.A N SER 99.A O no hydrogen 3.080 N/A SER 94.A N GLU 97.A O no hydrogen 3.001 N/A SER 94.A OG ASP 24.A OD2 no hydrogen 3.343 N/A GLU 97.A N SER 94.A O no hydrogen 2.951 N/A ILE 98.A N ILE 58.A O no hydrogen 3.013 N/A SER 99.A N PHE 92.A O no hydrogen 2.737 N/A ILE 100.A N LYS 56.A O no hydrogen 2.816 N/A CYS 101.A N GLY 90.A O no hydrogen 2.911 N/A MET 102.A N ALA 54.A O no hydrogen 2.977 N/A GLU 103.A N GLY 87.A O no hydrogen 3.237 N/A GLY 108.A N MET 105.A O no hydrogen 2.909 N/A SER 109.A N GLN 112.A OE1 no hydrogen 3.157 N/A LEU 110.A N ILE 155.A O no hydrogen 2.943 N/A ASP 111.A N PRO 152.A O no hydrogen 3.205 N/A GLN 112.A NE2 LEU 33.A O no hydrogen 3.405 N/A VAL 113.A N SER 109.A O no hydrogen 3.059 N/A LEU 114.A N LEU 110.A O no hydrogen 2.882 N/A LYS 115.A N ASP 111.A O no hydrogen 3.244 N/A LYS 116.A N GLN 112.A O no hydrogen 3.141 N/A ALA 117.A N VAL 113.A O no hydrogen 2.805 N/A GLY 118.A N LEU 114.A O no hydrogen 2.591 N/A ARG 119.A NH1 VAL 217.A O no hydrogen 2.758 N/A ILE 120.A N MET 215.A O no hydrogen 2.942 N/A LEU 125.A N PRO 121.A O no hydrogen 3.052 N/A GLY 126.A N GLU 122.A O no hydrogen 2.897 N/A LYS 127.A NZ SER 281.A O no hydrogen 3.228 N/A LYS 127.A NZ GLU 284.A O no hydrogen 2.760 N/A VAL 128.A N ILE 124.A O no hydrogen 2.963 N/A SER 129.A N LEU 125.A O no hydrogen 2.777 N/A SER 129.A OG LEU 125.A O no hydrogen 2.730 N/A ILE 130.A N GLY 126.A O no hydrogen 3.140 N/A ALA 131.A N LYS 127.A O no hydrogen 3.085 N/A VAL 132.A N VAL 128.A O no hydrogen 2.951 N/A ILE 133.A N SER 129.A O no hydrogen 2.897 N/A LYS 134.A N ILE 130.A O no hydrogen 3.046 N/A LYS 134.A NZ TYR 84.A OH no hydrogen 3.476 N/A GLY 135.A N ALA 131.A O no hydrogen 2.887 N/A LEU 136.A N VAL 132.A O no hydrogen 2.783 N/A THR 137.A N ILE 133.A O no hydrogen 2.944 N/A THR 137.A OG1 ILE 133.A O no hydrogen 2.713 N/A TYR 138.A N LYS 134.A O no hydrogen 2.913 N/A LEU 139.A N GLY 135.A O no hydrogen 3.120 N/A ARG 140.A N LEU 136.A O no hydrogen 3.197 N/A GLU 141.A N THR 137.A O no hydrogen 2.869 N/A LYS 142.A N TYR 138.A O no hydrogen 2.887 N/A HIS 143.A NE2 TYR 138.A OH no hydrogen 3.054 N/A LYS 144.A N ARG 140.A O no hydrogen 3.204 N/A ILE 145.A N LEU 139.A O no hydrogen 2.906 N/A HIS 147.A N ASP 204.A OD2 no hydrogen 2.437 N/A ARG 148.A N ASP 204.A OD1 no hydrogen 2.921 N/A ARG 148.A N ASP 204.A OD2 no hydrogen 3.442 N/A ARG 148.A NH1 TYR 199.A OH no hydrogen 2.630 N/A ASP 149.A N HIS 147.A ND1 no hydrogen 3.131 N/A ASN 154.A N LYS 151.A O no hydrogen 2.836 N/A ASN 154.A ND2 ASP 149.A O no hydrogen 2.807 N/A ASN 154.A ND2 ASP 149.A OD2 no hydrogen 2.972 N/A ILE 155.A N PRO 152.A O no hydrogen 3.379 N/A LEU 156.A N LYS 164.A O no hydrogen 2.821 N/A VAL 157.A N GLY 108.A O no hydrogen 2.982 N/A ASN 158.A N GLU 162.A O no hydrogen 3.203 N/A ASN 158.A ND2 GLU 162.A OE1 no hydrogen 2.731 N/A SER 159.A N ASP 106.A OD1 no hydrogen 2.760 N/A SER 159.A OG ASP 106.A OD1 no hydrogen 3.420 N/A SER 159.A OG ASP 106.A OD2 no hydrogen 2.656 N/A GLY 161.A N ASN 158.A O no hydrogen 3.062 N/A GLU 162.A N ASN 158.A OD1 no hydrogen 2.722 N/A LYS 164.A N LEU 156.A O no hydrogen 2.805 N/A LYS 164.A NZ GLU 103.A OE1 no hydrogen 3.239 N/A LYS 164.A NZ GLU 103.A OE2 no hydrogen 3.125 N/A LYS 164.A NZ GLU 162.A OE1 no hydrogen 3.540 N/A LEU 165.A N TYR 84.A O no hydrogen 2.840 N/A CYS 166.A N.A ASN 154.A O no hydrogen 3.214 N/A CYS 166.A N.B ASN 154.A O no hydrogen 3.222 N/A CYS 166.A SG.B ASP 167.A OD1 no hydrogen 3.408 N/A GLY 169.A N HIS 147.A O no hydrogen 2.955 N/A SER 171.A OG GLU 73.A OE1 no hydrogen 2.645 N/A GLN 173.A N GLU 73.A OE1 no hydrogen 2.992 N/A LEU 174.A N SER 171.A OG no hydrogen 3.346 N/A ILE 175.A N SER 171.A O no hydrogen 3.001 N/A ASP 176.A N GLY 172.A O no hydrogen 3.173 N/A ALA 177.A N GLN 173.A O no hydrogen 3.028 N/A MET 178.A N LEU 174.A O no hydrogen 3.006 N/A ALA 179.A N ASP 176.A O no hydrogen 3.381 N/A ARG 186.A NE TYR 188.A OH no hydrogen 3.372 N/A SER 187.A N TYR 220.A OH no hydrogen 3.012 N/A TYR 188.A OH GLU 214.A OE1 no hydrogen 2.308 N/A TYR 188.A OH GLU 214.A OE2 no hydrogen 3.280 N/A MET 189.A N SER 187.A OG no hydrogen 3.345 N/A SER 190.A OG SER 203.A OG no hydrogen 2.830 N/A GLU 192.A N GLU 192.A OE1 no hydrogen 2.782 N/A ARG 193.A N SER 190.A OG no hydrogen 3.291 N/A ARG 193.A NH1 ARG 148.A O no hydrogen 3.034 N/A LEU 194.A N SER 190.A O no hydrogen 3.114 N/A GLN 195.A N PRO 191.A O no hydrogen 3.050 N/A THR 197.A N GLU 192.A O no hydrogen 3.122 N/A THR 197.A OG1 GLU 192.A O no hydrogen 3.074 N/A GLN 202.A N SER 200.A OG no hydrogen 3.315 N/A GLN 202.A NE2 PRO 263.A O no hydrogen 2.999 N/A GLN 202.A NE2 ARG 266.A O no hydrogen 3.035 N/A GLN 202.A NE2 ALA 267.A O no hydrogen 2.972 N/A SER 203.A N SER 200.A O no hydrogen 3.061 N/A SER 203.A OG SER 190.A OG no hydrogen 2.830 N/A SER 203.A OG GLU 192.A OE2 no hydrogen 2.753 N/A ILE 205.A N VAL 201.A O no hydrogen 3.070 N/A TRP 206.A N GLN 202.A O no hydrogen 3.073 N/A SER 207.A N SER 203.A O no hydrogen 3.043 N/A SER 207.A OG TYR 188.A O no hydrogen 2.573 N/A SER 207.A OG SER 203.A O no hydrogen 3.149 N/A MET 208.A N ASP 204.A O no hydrogen 3.018 N/A GLY 209.A N ILE 205.A O no hydrogen 3.033 N/A LEU 210.A N TRP 206.A O no hydrogen 3.096 N/A SER 211.A N SER 207.A O no hydrogen 2.923 N/A SER 211.A OG SER 207.A O no hydrogen 2.764 N/A LEU 212.A N MET 208.A O no hydrogen 2.760 N/A VAL 213.A N GLY 209.A O no hydrogen 3.037 N/A GLU 214.A N LEU 210.A O no hydrogen 3.046 N/A MET 215.A N SER 211.A O no hydrogen 3.043 N/A ALA 216.A N LEU 212.A O no hydrogen 2.838 N/A VAL 217.A N VAL 213.A O no hydrogen 3.028 N/A GLY 218.A N GLU 214.A O no hydrogen 2.942 N/A TYR 220.A OH SER 187.A O no hydrogen 2.529 N/A LEU 230.A N ALA 226.A O no hydrogen 3.073 N/A LEU 231.A N ILE 227.A O no hydrogen 3.225 N/A ASP 232.A N PHE 228.A O no hydrogen 3.039 N/A TYR 233.A N GLU 229.A O no hydrogen 2.982 N/A ILE 234.A N LEU 230.A O no hydrogen 3.064 N/A VAL 235.A N LEU 231.A O no hydrogen 2.994 N/A ASN 236.A N ASP 232.A O no hydrogen 2.750 N/A GLU 237.A N TYR 233.A O no hydrogen 2.912 N/A SER 248.A N GLU 122.A OE1 no hydrogen 3.155 N/A SER 248.A OG GLU 122.A OE2 no hydrogen 2.541 N/A PHE 251.A N SER 248.A OG no hydrogen 3.175 N/A GLN 252.A N SER 248.A O no hydrogen 3.334 N/A GLN 252.A NE2 SER 244.A O no hydrogen 3.596 N/A GLN 252.A NE2 PHE 247.A O no hydrogen 2.951 N/A GLN 252.A NE2 SER 248.A O no hydrogen 3.018 N/A ASP 253.A N LEU 249.A O no hydrogen 3.030 N/A PHE 254.A N GLU 250.A O no hydrogen 2.825 N/A VAL 255.A N PHE 251.A O no hydrogen 2.852 N/A ASN 256.A N GLN 252.A O no hydrogen 2.842 N/A LYS 257.A N ASP 253.A O no hydrogen 2.996 N/A CYS 258.A N PHE 254.A O no hydrogen 3.172 N/A CYS 258.A N VAL 255.A O no hydrogen 2.951 N/A CYS 258.A SG PHE 254.A O no hydrogen 3.324 N/A LEU 259.A N VAL 255.A O no hydrogen 3.072 N/A LYS 261.A NZ VAL 235.A O no hydrogen 2.833 N/A LYS 261.A NZ GLU 237.A O no hydrogen 2.815 N/A ARG 266.A NE GLN 202.A O no hydrogen 3.065 N/A ARG 266.A NH1 ILE 260.A O no hydrogen 2.410 N/A ARG 266.A NH1 LYS 261.A O no hydrogen 3.238 N/A ARG 266.A NH2 GLU 192.A OE1 no hydrogen 3.118 N/A ARG 266.A NH2 GLN 202.A O no hydrogen 3.034 N/A ALA 267.A N LYS 257.A O no hydrogen 3.311 N/A GLN 271.A N ASP 268.A OD1 no hydrogen 2.839 N/A LEU 272.A N ASP 268.A O no hydrogen 2.888 N/A MET 273.A N LEU 269.A O no hydrogen 3.051 N/A VAL 274.A N LYS 270.A O no hydrogen 3.382 N/A VAL 274.A N GLN 271.A O no hydrogen 3.211 N/A HIS 275.A N LEU 272.A O no hydrogen 3.081 N/A HIS 275.A NE2 ASP 253.A OD2 no hydrogen 2.479 N/A PHE 277.A N HIS 275.A ND1 no hydrogen 3.034 N/A LYS 279.A N HIS 275.A O no hydrogen 3.021 N/A ARG 280.A N ALA 276.A O no hydrogen 3.090 N/A ARG 280.A NE GLU 284.A OE2 no hydrogen 2.763 N/A ARG 280.A NH1 GLU 122.A OE2 no hydrogen 3.206 N/A ARG 280.A NH1 SER 248.A OG no hydrogen 3.266 N/A ARG 280.A NH2 GLU 122.A OE2 no hydrogen 3.216 N/A SER 281.A N PHE 277.A O no hydrogen 3.034 N/A SER 281.A OG PHE 277.A O no hydrogen 2.571 N/A ASP 282.A N ILE 278.A O no hydrogen 2.874 N/A ALA 283.A N ARG 280.A O no hydrogen 3.284 N/A GLU 284.A N ARG 280.A O no hydrogen 3.272 N/A GLU 284.A N SER 281.A O no hydrogen 3.249 N/A TRP 291.A N ASP 287.A O no hydrogen 3.379 N/A LEU 292.A N PHE 288.A O no hydrogen 2.986 N/A CYS 293.A N ALA 289.A O no hydrogen 2.912 N/A CYS 293.A SG ALA 289.A O no hydrogen 3.256 N/A SER 294.A N GLY 290.A O no hydrogen 2.934 N/A SER 294.A OG GLY 290.A O no hydrogen 2.592 N/A SER 294.A OG TRP 291.A O no hydrogen 3.322 N/A THR 295.A N TRP 291.A O no hydrogen 3.016 N/A THR 295.A N LEU 292.A O no hydrogen 3.132 N/A THR 295.A OG1 TRP 291.A O no hydrogen 3.130 N/A ILE 296.A N LEU 292.A O no hydrogen 2.805 N/A GLY 297.A N CYS 293.A O no hydrogen 2.892 N/A