Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4aaa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N VAL 74.A O no hydrogen 2.945 N/A GLU 7.A N SER 5.A OG no hydrogen 3.048 N/A LYS 8.A NZ SER 5.A O no hydrogen 3.032 N/A LYS 8.A NZ GLU 73.A OE2 no hydrogen 2.815 N/A TYR 9.A N MET 6.A O no hydrogen 3.131 N/A TYR 9.A OH GLU 73.A OE2 no hydrogen 2.500 N/A GLU 10.A N ARG 27.A O no hydrogen 2.922 N/A LEU 12.A N LYS 25.A O no hydrogen 2.809 N/A VAL 15.A N VAL 23.A O no hydrogen 2.833 N/A GLU 17.A N LEU 14.A O no hydrogen 3.016 N/A SER 19.A N GLY 16.A O no hydrogen 3.061 N/A SER 19.A OG GLY 16.A O no hydrogen 3.170 N/A TYR 20.A OH GLU 135.A O no hydrogen 2.565 N/A GLY 21.A N GLY 18.A O no hydrogen 2.958 N/A VAL 23.A N GLY 21.A O no hydrogen 2.921 N/A MET 24.A N ILE 37.A O no hydrogen 2.936 N/A LYS 25.A N GLY 13.A O no hydrogen 2.935 N/A CYS 26.A N VAL 35.A O no hydrogen 2.994 N/A CYS 26.A SG ASN 11.A OD1 no hydrogen 3.475 N/A ARG 27.A N GLU 10.A O no hydrogen 2.879 N/A ASN 28.A N ARG 33.A O no hydrogen 2.875 N/A LYS 29.A N LYS 8.A O no hydrogen 2.707 N/A LYS 29.A NZ GLU 7.A O no hydrogen 3.087 N/A ASP 30.A N ASN 28.A OD1 no hydrogen 2.778 N/A THR 31.A N ASN 28.A OD1 no hydrogen 3.107 N/A GLY 32.A N ASN 28.A O no hydrogen 2.769 N/A ARG 33.A N THR 31.A OG1 no hydrogen 3.197 N/A VAL 35.A N CYS 26.A O no hydrogen 2.842 N/A ALA 36.A N PHE 85.A O no hydrogen 2.887 N/A ILE 37.A N MET 24.A O no hydrogen 2.884 N/A LYS 38.A N LEU 83.A O no hydrogen 3.055 N/A LYS 39.A NZ GLU 42.A OE1 no hydrogen 2.688 N/A PHE 40.A N TRP 81.A O no hydrogen 2.785 N/A LEU 41.A N TRP 81.A O no hydrogen 3.173 N/A ASP 44.A N LYS 79.A O no hydrogen 3.182 N/A ASP 45.A N SER 43.A OG no hydrogen 3.021 N/A LYS 50.A N ASP 46.A O no hydrogen 2.975 N/A LYS 51.A N LYS 47.A O no hydrogen 3.139 N/A ALA 53.A N VAL 49.A O no hydrogen 2.777 N/A MET 54.A N LYS 50.A O no hydrogen 2.933 N/A ARG 55.A N LYS 51.A O no hydrogen 3.032 N/A GLU 56.A N ILE 52.A O no hydrogen 3.012 N/A ILE 57.A N ALA 53.A O no hydrogen 2.925 N/A LYS 58.A N MET 54.A O no hydrogen 2.976 N/A LEU 59.A N ARG 55.A O no hydrogen 3.130 N/A LEU 60.A N GLU 56.A O no hydrogen 2.908 N/A LYS 61.A N ILE 57.A O no hydrogen 2.923 N/A GLN 62.A N LYS 58.A O no hydrogen 3.258 N/A GLN 62.A N LEU 59.A O no hydrogen 3.049 N/A LEU 63.A N LEU 59.A O no hydrogen 2.912 N/A ARG 64.A N GLN 62.A O no hydrogen 3.052 N/A ARG 64.A NE LYS 61.A O no hydrogen 2.703 N/A ARG 64.A NH1 LEU 71.A O no hydrogen 2.908 N/A ARG 64.A NH2 LEU 71.A O no hydrogen 3.406 N/A GLU 66.A N GLU 66.A OE1.B no hydrogen 2.755 N/A ASN 67.A N HIS 65.A ND1 no hydrogen 2.889 N/A ASN 67.A ND2 GLN 114.A OE1 no hydrogen 3.337 N/A ASN 67.A ND2 VAL 145.A O no hydrogen 2.938 N/A LEU 68.A N HIS 65.A O no hydrogen 3.099 N/A VAL 69.A N LEU 147.A O no hydrogen 2.945 N/A ASN 70.A N GLU 86.A OE2.A no hydrogen 2.834 N/A LEU 72.A N VAL 84.A O no hydrogen 2.816 N/A GLU 73.A N VAL 84.A O no hydrogen 3.397 N/A CYS 75.A N TYR 82.A O no hydrogen 2.880 N/A CYS 75.A SG GLU 73.A OE2 no hydrogen 3.529 N/A LYS 77.A N ARG 80.A O no hydrogen 2.974 N/A LYS 79.A NZ ASP 45.A OD1 no hydrogen 3.542 N/A LYS 79.A NZ ASP 45.A OD2 no hydrogen 3.249 N/A ARG 80.A N LYS 77.A O no hydrogen 2.991 N/A TRP 81.A N LEU 41.A O no hydrogen 3.049 N/A TRP 81.A NE1 ASP 44.A OD2 no hydrogen 3.292 N/A TYR 82.A N CYS 75.A O no hydrogen 2.810 N/A LEU 83.A N LYS 38.A O no hydrogen 2.984 N/A VAL 84.A N GLU 73.A O no hydrogen 2.987 N/A PHE 85.A N ALA 36.A O no hydrogen 2.845 N/A GLU 86.A N ASN 70.A O no hydrogen 3.002 N/A PHE 87.A N ILE 34.A O no hydrogen 3.121 N/A HIS 90.A N VAL 139.A O no hydrogen 3.079 N/A HIS 90.A ND1.A ASP 89.A OD2.B no hydrogen 2.769 N/A THR 91.A N ASP 94.A OD2 no hydrogen 2.935 N/A THR 91.A OG1 ASP 94.A OD2 no hydrogen 3.560 N/A ILE 92.A N ILE 137.A O no hydrogen 3.054 N/A LEU 93.A N THR 91.A OG1 no hydrogen 3.082 N/A ASP 94.A N THR 91.A O no hydrogen 2.982 N/A LEU 96.A N ILE 92.A O no hydrogen 3.121 N/A GLU 97.A N LEU 93.A O no hydrogen 2.929 N/A GLU 97.A N ASP 94.A O no hydrogen 3.201 N/A LEU 98.A N ASP 94.A O no hydrogen 3.271 N/A PHE 99.A N ASP 95.A O no hydrogen 2.985 N/A GLY 102.A N PHE 99.A O no hydrogen 3.067 N/A LEU 103.A N MET 188.A O no hydrogen 2.878 N/A GLN 106.A N ASP 104.A OD2 no hydrogen 3.092 N/A VAL 107.A N ASP 104.A OD2 no hydrogen 3.293 N/A VAL 108.A N ASP 104.A O no hydrogen 2.911 N/A GLN 109.A N TYR 105.A O no hydrogen 2.956 N/A GLN 109.A NE2 PHE 279.A O no hydrogen 2.892 N/A LYS 110.A N GLN 106.A O no hydrogen 2.928 N/A TYR 111.A N VAL 107.A O no hydrogen 2.866 N/A TYR 111.A OH ASP 95.A OD1 no hydrogen 3.410 N/A TYR 111.A OH ASP 95.A OD2 no hydrogen 2.676 N/A LEU 112.A N VAL 108.A O no hydrogen 2.844 N/A PHE 113.A N GLN 109.A O no hydrogen 2.932 N/A GLN 114.A N LYS 110.A O no hydrogen 3.279 N/A GLN 114.A NE2 LYS 110.A O no hydrogen 3.157 N/A GLN 114.A NE2 GLY 143.A O no hydrogen 3.198 N/A ILE 115.A N TYR 111.A O no hydrogen 2.920 N/A ILE 116.A N LEU 112.A O no hydrogen 2.898 N/A ASN 117.A N PHE 113.A O no hydrogen 2.943 N/A GLY 118.A N GLN 114.A O no hydrogen 2.913 N/A ILE 119.A N ILE 115.A O no hydrogen 2.891 N/A GLY 120.A N ILE 116.A O no hydrogen 2.832 N/A PHE 121.A N ASN 117.A O no hydrogen 3.024 N/A CYS 122.A N GLY 118.A O no hydrogen 3.151 N/A CYS 122.A SG GLY 118.A O no hydrogen 3.475 N/A HIS 123.A N ILE 119.A O no hydrogen 2.790 N/A HIS 123.A NE2 ASP 177.A OD2 no hydrogen 2.805 N/A SER 124.A N GLY 120.A O no hydrogen 2.941 N/A SER 124.A OG PHE 121.A O no hydrogen 2.666 N/A HIS 125.A N CYS 122.A O no hydrogen 2.920 N/A ASN 126.A N HIS 123.A O no hydrogen 2.975 N/A ILE 127.A N CYS 122.A O no hydrogen 2.939 N/A HIS 129.A N ASP 177.A OD2 no hydrogen 2.864 N/A HIS 129.A NE2 CYS 148.A O no hydrogen 2.786 N/A ARG 130.A N ASP 177.A OD1 no hydrogen 2.867 N/A ASP 131.A N HIS 129.A ND1 no hydrogen 2.978 N/A LYS 133.A N ASN 136.A OD1 no hydrogen 3.103 N/A LYS 133.A NZ ASP 131.A OD2.B no hydrogen 3.307 N/A ASN 136.A N LYS 133.A O no hydrogen 2.915 N/A ASN 136.A ND2 ASP 131.A O no hydrogen 2.850 N/A ILE 137.A N PRO 134.A O no hydrogen 3.078 N/A LEU 138.A N LYS 146.A O no hydrogen 2.987 N/A VAL 139.A N HIS 90.A O no hydrogen 2.815 N/A SER 140.A N VAL 144.A O no hydrogen 2.848 N/A SER 140.A OG SER 142.A OG no hydrogen 3.166 N/A SER 142.A N SER 140.A OG no hydrogen 3.246 N/A SER 142.A OG SER 140.A OG no hydrogen 3.166 N/A GLY 143.A N SER 140.A O no hydrogen 2.933 N/A VAL 144.A N SER 140.A OG no hydrogen 3.065 N/A VAL 145.A N GLN 114.A OE1 no hydrogen 3.024 N/A LYS 146.A N LEU 138.A O no hydrogen 2.838 N/A LYS 146.A NZ GLU 66.A O no hydrogen 2.689 N/A LEU 147.A N ASN 67.A O no hydrogen 2.828 N/A CYS 148.A SG ASN 136.A O no hydrogen 3.626 N/A GLY 151.A N HIS 129.A O no hydrogen 2.702 N/A PHE 152.A N PHE 150.A O no hydrogen 2.710 N/A ALA 153.A N PHE 150.A O no hydrogen 3.232 N/A ARG 158.A NE ASP 200.A OD1 no hydrogen 3.118 N/A ARG 158.A NH2 GLU 154.A O no hydrogen 3.176 N/A TYR 160.A OH GLU 187.A OE1 no hydrogen 2.587 N/A ARG 161.A N ARG 158.A O no hydrogen 3.079 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.809 N/A LEU 165.A N ALA 162.A O no hydrogen 2.979 N/A LEU 166.A N ALA 162.A O no hydrogen 3.264 N/A VAL 167.A N PRO 163.A O no hydrogen 3.063 N/A GLY 168.A N LEU 165.A O no hydrogen 3.086 N/A ASP 169.A N GLU 164.A O no hydrogen 2.931 N/A LYS 171.A N ASP 169.A OD1 no hydrogen 2.886 N/A LYS 174.A NZ HIS 123.A O no hydrogen 3.004 N/A VAL 176.A N GLY 173.A O no hydrogen 3.008 N/A ASP 177.A N LYS 174.A O no hydrogen 3.014 N/A TRP 179.A N ALA 175.A O no hydrogen 3.056 N/A ALA 180.A N VAL 176.A O no hydrogen 3.206 N/A ILE 181.A N ASP 177.A O no hydrogen 3.007 N/A GLY 182.A N VAL 178.A O no hydrogen 2.973 N/A CYS 183.A N TRP 179.A O no hydrogen 3.073 N/A CYS 183.A SG TRP 159.A O no hydrogen 3.957 N/A CYS 183.A SG TRP 179.A O no hydrogen 3.677 N/A LEU 184.A N ALA 180.A O no hydrogen 3.162 N/A LEU 184.A N ILE 181.A O no hydrogen 2.991 N/A VAL 185.A N ILE 181.A O no hydrogen 3.306 N/A VAL 185.A N GLY 182.A O no hydrogen 3.244 N/A MET 188.A N LEU 184.A O no hydrogen 2.881 N/A PHE 189.A N VAL 185.A O no hydrogen 3.255 N/A MET 190.A N THR 186.A O no hydrogen 2.703 N/A GLY 191.A N GLU 187.A O no hydrogen 2.780 N/A GLY 197.A N PHE 195.A O no hydrogen 2.986 N/A GLY 197.A N GLN 203.A OE1 no hydrogen 2.837 N/A ASP 198.A N ASP 202.A OD2 no hydrogen 2.941 N/A ASP 202.A N SER 199.A OG no hydrogen 3.080 N/A GLN 203.A N SER 199.A O no hydrogen 2.820 N/A GLN 203.A NE2 PHE 195.A O no hydrogen 2.790 N/A LEU 204.A N ASP 200.A O no hydrogen 3.074 N/A TYR 205.A N ILE 201.A O no hydrogen 2.949 N/A TYR 205.A OH ARG 232.A O no hydrogen 2.603 N/A HIS 206.A N ASP 202.A O no hydrogen 2.957 N/A ILE 207.A N GLN 203.A O no hydrogen 2.937 N/A MET 208.A N LEU 204.A O no hydrogen 2.889 N/A MET 209.A N TYR 205.A O no hydrogen 2.994 N/A CYS 210.A N ILE 207.A O no hydrogen 3.172 N/A CYS 210.A SG GLU 240.A O no hydrogen 3.558 N/A LEU 211.A N ILE 207.A O no hydrogen 2.854 N/A GLY 212.A N MET 208.A O no hydrogen 2.864 N/A ASN 213.A ND2 GLU 235.A OE2.B no hydrogen 3.204 N/A ARG 217.A NE ASP 169.A OD1 no hydrogen 3.423 N/A ARG 217.A NE ASP 169.A OD2 no hydrogen 2.789 N/A ARG 217.A NH2 ASP 169.A OD1 no hydrogen 2.825 N/A HIS 218.A N ILE 215.A O no hydrogen 3.042 N/A GLN 219.A N ILE 215.A O no hydrogen 3.212 N/A GLU 220.A N PRO 216.A O no hydrogen 2.947 N/A LEU 221.A N ARG 217.A O no hydrogen 3.004 N/A PHE 222.A N HIS 218.A O no hydrogen 3.006 N/A ASN 223.A N GLN 219.A O no hydrogen 2.841 N/A LYS 224.A N GLU 220.A O no hydrogen 2.885 N/A ASN 225.A N PHE 222.A O no hydrogen 3.216 N/A VAL 227.A N ASN 225.A OD1 no hydrogen 2.820 N/A PHE 228.A N ASN 225.A O no hydrogen 3.073 N/A ALA 229.A N PRO 226.A O no hydrogen 3.180 N/A VAL 231.A N PHE 228.A O no hydrogen 3.052 N/A ILE 236.A N ASN 213.A OD1 no hydrogen 3.041 N/A ARG 239.A NH1 CYS 210.A O no hydrogen 2.682 N/A GLU 240.A N MET 209.A O no hydrogen 2.849 N/A GLU 243.A N GLU 243.A OE2.A no hydrogen 2.928 N/A ARG 244.A N PRO 241.A O no hydrogen 3.015 N/A ARG 245.A N PRO 241.A O no hydrogen 3.153 N/A ARG 245.A NH1 LEU 194.A O no hydrogen 2.784 N/A ARG 245.A NH2 GLU 192.A OE2 no hydrogen 3.363 N/A ARG 245.A NH2 PRO 193.A O no hydrogen 3.388 N/A ARG 245.A NH2 LEU 194.A O no hydrogen 3.026 N/A TYR 246.A N LEU 242.A O no hydrogen 2.959 N/A TYR 246.A OH GLU 192.A OE2 no hydrogen 2.594 N/A LEU 249.A N TYR 246.A O no hydrogen 3.228 N/A VAL 253.A N SER 250.A OG no hydrogen 3.327 N/A ILE 254.A N SER 250.A O no hydrogen 2.993 N/A ASP 255.A N GLU 251.A O no hydrogen 2.889 N/A LEU 256.A N VAL 252.A O no hydrogen 3.102 N/A ALA 257.A N VAL 253.A O no hydrogen 3.042 N/A LYS 258.A N ILE 254.A O no hydrogen 2.816 N/A LYS 259.A N ASP 255.A O no hydrogen 3.029 N/A LYS 259.A NZ ASP 255.A OD2 no hydrogen 2.974 N/A CYS 260.A N LEU 256.A O no hydrogen 3.206 N/A CYS 260.A SG LEU 256.A O no hydrogen 3.522 N/A LEU 261.A N ALA 257.A O no hydrogen 2.944 N/A ASP 264.A N HIS 262.A ND1 no hydrogen 3.009 N/A ASP 266.A N ASP 264.A OD1 no hydrogen 2.968 N/A LYS 267.A N ASP 264.A O no hydrogen 2.924 N/A ARG 268.A N PRO 265.A O no hydrogen 3.391 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.858 N/A ARG 268.A NH1 GLU 164.A OE1 no hydrogen 3.536 N/A ARG 268.A NH1 GLU 164.A OE2 no hydrogen 2.714 N/A ARG 268.A NH1 ALA 175.A O no hydrogen 3.045 N/A ARG 268.A NH2 GLU 164.A OE1 no hydrogen 3.023 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.175 N/A PHE 270.A N GLU 273.A OE1 no hydrogen 2.940 N/A CYS 271.A SG ILE 116.A O no hydrogen 3.515 N/A GLU 273.A N PHE 270.A O no hydrogen 2.976 N/A LEU 274.A N CYS 271.A O no hydrogen 2.972 N/A LEU 275.A N ALA 272.A O no hydrogen 3.350 N/A HIS 276.A N GLU 273.A O no hydrogen 3.037 N/A HIS 277.A N LEU 274.A O no hydrogen 3.092 N/A HIS 277.A NE2 ASP 255.A OD2 no hydrogen 2.780 N/A PHE 279.A N HIS 277.A ND1 no hydrogen 2.920 N/A PHE 280.A N HIS 277.A O no hydrogen 3.030 N/A GLN 281.A N HIS 277.A O no hydrogen 3.026 N/A GLN 281.A NE2 LEU 275.A O no hydrogen 2.857 N/A MET 282.A N ASP 278.A O no hydrogen 2.933 N/A GLY 284.A N GLN 281.A O no hydrogen 3.010 N/A PHE 285.A N MET 282.A O no hydrogen 3.154 N/A ALA 286.A N PHE 280.A O no hydrogen 3.006 N/A ARG 288.A N GLY 284.A O no hydrogen 3.197 N/A ARG 288.A NH1 ASP 283.A O no hydrogen 2.435 N/A PHE 289.A N PHE 285.A O no hydrogen 2.744 N/A SER 290.A N ALA 286.A O no hydrogen 2.891 N/A SER 290.A OG.A ALA 286.A O no hydrogen 2.602 N/A GLN 291.A N GLU 287.A O no hydrogen 3.031 N/A GLU 292.A N ARG 288.A O no hydrogen 3.033 N/A LEU 293.A N PHE 289.A O no hydrogen 3.020 N/A GLN 294.A N SER 290.A O no hydrogen 3.196 N/A GLN 294.A NE2 SER 290.A O no hydrogen 3.592 N/A LEU 295.A N GLN 291.A O no hydrogen 3.090 N/A