Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4i42_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 7.A N ASP 5.A OD1 no hydrogen 3.082 N/A LEU 9.A N ASP 5.A O no hydrogen 3.135 N/A TYR 10.A N ALA 7.A O no hydrogen 3.327 N/A TYR 10.A OH GLU 213.A OE2 no hydrogen 3.077 N/A ALA 11.A N MET 8.A O no hydrogen 3.150 N/A HIS 16.A N LYS 29.A O no hydrogen 2.780 N/A CYS 18.A N TYR 27.A O no hydrogen 2.672 N/A CYS 18.A SG HIS 16.A O no hydrogen 3.812 N/A SER 19.A N ASP 17.A OD2 no hydrogen 3.004 N/A SER 19.A OG ASP 17.A OD1 no hydrogen 2.602 N/A SER 19.A OG TYR 27.A O no hydrogen 3.158 N/A PHE 22.A N SER 19.A O no hydrogen 2.883 N/A GLU 23.A N GLU 55.A OE2 no hydrogen 2.726 N/A ASP 24.A N GLU 55.A OE1 no hydrogen 2.754 N/A ARG 26.A N THR 38.A O no hydrogen 2.820 N/A TYR 27.A N SER 19.A OG no hydrogen 2.807 N/A TYR 27.A OH ASP 62.A OD1 no hydrogen 2.680 N/A GLU 28.A N LYS 36.A O no hydrogen 3.003 N/A LYS 29.A N HIS 16.A O no hydrogen 2.975 N/A LYS 29.A NZ ASP 62.A OD1 no hydrogen 2.766 N/A LYS 29.A NZ ASP 66.A OD2 no hydrogen 2.766 N/A SER 30.A N ILE 34.A O no hydrogen 2.752 N/A SER 30.A OG ASP 32.A OD1 no hydrogen 2.576 N/A THR 31.A N GLU 14.A O no hydrogen 3.170 N/A GLY 33.A N SER 30.A O no hydrogen 3.389 N/A ILE 34.A N SER 30.A OG no hydrogen 3.003 N/A ALA 35.A N VAL 71.A O no hydrogen 3.052 N/A LYS 36.A N GLU 28.A O no hydrogen 2.722 N/A LYS 36.A NZ GLU 211.A OE1 no hydrogen 3.159 N/A ILE 37.A N ILE 73.A O no hydrogen 2.852 N/A THR 38.A N ARG 26.A O no hydrogen 2.927 N/A ILE 39.A N THR 75.A O no hydrogen 2.892 N/A ASN 40.A N ASP 24.A O no hydrogen 2.786 N/A ARG 41.A N ASN 46.A OD1 no hydrogen 2.800 N/A ARG 41.A NH1 ASP 87.A OD2 no hydrogen 3.227 N/A ARG 41.A NH2 ALA 47.A O no hydrogen 2.928 N/A ARG 41.A NH2 ASP 87.A OD2 no hydrogen 2.929 N/A GLN 43.A N GLN 43.A OE1 no hydrogen 2.720 N/A VAL 44.A N ARG 41.A O no hydrogen 3.017 N/A ARG 45.A N PRO 42.A O no hydrogen 3.069 N/A ASN 46.A N ARG 41.A O no hydrogen 2.796 N/A ASN 46.A ND2 ALA 77.A O no hydrogen 3.018 N/A ASN 46.A ND2 ALA 81.A O no hydrogen 2.834 N/A ALA 47.A N VAL 44.A O no hydrogen 3.153 N/A PHE 48.A N GLY 85.A O no hydrogen 2.868 N/A ARG 49.A N THR 52.A OG1 no hydrogen 3.004 N/A ARG 49.A NE ASP 24.A OD2 no hydrogen 2.713 N/A ARG 49.A NH2 ASP 24.A OD1 no hydrogen 2.827 N/A ARG 49.A NH2 ASP 24.A OD2 no hydrogen 3.520 N/A THR 52.A OG1 ASP 24.A OD2 no hydrogen 2.693 N/A THR 52.A OG1 ARG 49.A O no hydrogen 3.336 N/A VAL 53.A N ARG 49.A O no hydrogen 3.190 N/A LYS 54.A N PRO 50.A O no hydrogen 2.999 N/A GLU 55.A N LEU 51.A O no hydrogen 2.989 N/A MET 56.A N THR 52.A O no hydrogen 3.018 N/A ILE 57.A N VAL 53.A O no hydrogen 2.889 N/A GLN 58.A N LYS 54.A O no hydrogen 3.017 N/A ALA 59.A N GLU 55.A O no hydrogen 2.933 N/A LEU 60.A N MET 56.A O no hydrogen 2.935 N/A ALA 61.A N ILE 57.A O no hydrogen 2.931 N/A ASP 62.A N GLN 58.A O no hydrogen 2.991 N/A ALA 63.A N ALA 59.A O no hydrogen 2.891 N/A ARG 64.A N LEU 60.A O no hydrogen 2.937 N/A TYR 65.A N ALA 61.A O no hydrogen 3.138 N/A ASP 66.A N ASP 62.A O no hydrogen 2.976 N/A ASN 68.A N ASP 66.A OD1 no hydrogen 2.887 N/A ILE 69.A N ASP 66.A O no hydrogen 2.983 N/A GLY 70.A N GLY 33.A O no hydrogen 2.832 N/A VAL 71.A N GLY 33.A O no hydrogen 3.415 N/A ILE 72.A N PRO 121.A O no hydrogen 2.939 N/A ILE 73.A N ALA 35.A O no hydrogen 2.776 N/A LEU 74.A N VAL 123.A O no hydrogen 2.779 N/A THR 75.A N ILE 37.A O no hydrogen 2.971 N/A THR 75.A OG1 MET 125.A O no hydrogen 2.634 N/A ALA 77.A N ILE 39.A O no hydrogen 2.778 N/A PHE 82.A N TYR 129.A O no hydrogen 2.800 N/A CYS 83.A N TYR 129.A O no hydrogen 3.099 N/A CYS 83.A SG ASN 46.A O no hydrogen 3.395 N/A SER 84.A OG VAL 44.A O no hydrogen 3.152 N/A SER 84.A OG ARG 45.A O no hydrogen 3.150 N/A ASP 87.A N PHE 48.A O no hydrogen 2.846 N/A GLN 88.A NE2 GLY 86.A O no hydrogen 2.919 N/A GLN 88.A NE2 TYR 97.A OH no hydrogen 3.056 N/A LYS 89.A N ASP 87.A OD1 no hydrogen 3.064 N/A VAL 90.A N ASP 87.A O no hydrogen 3.188 N/A ARG 91.A N GLN 88.A O no hydrogen 3.340 N/A ARG 91.A NH1 GLN 88.A OE1 no hydrogen 2.936 N/A ARG 91.A NH1 VAL 159.A O no hydrogen 2.949 N/A ARG 91.A NH2 GLY 160.A O no hydrogen 2.642 N/A GLY 92.A N GLY 96.A O no hydrogen 2.843 N/A GLY 95.A N ASP 93.A O no hydrogen 2.912 N/A TYR 97.A N HIS 105.A O no hydrogen 2.725 N/A LYS 98.A N VAL 90.A O no hydrogen 2.797 N/A ASP 99.A N VAL 103.A O no hydrogen 3.054 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.827 N/A GLY 102.A N ASP 99.A O no hydrogen 3.006 N/A VAL 103.A N ASP 99.A OD1 no hydrogen 2.981 N/A HIS 105.A N TYR 97.A O no hydrogen 2.727 N/A HIS 105.A NE2 ASP 99.A OD2 no hydrogen 2.773 N/A ASN 107.A ND2 PRO 50.A O no hydrogen 3.134 N/A LEU 109.A N LEU 106.A O no hydrogen 3.089 N/A PHE 111.A N ASN 107.A O no hydrogen 3.223 N/A GLN 112.A N VAL 108.A O no hydrogen 2.826 N/A GLN 112.A NE2 ASP 163.A OD2 no hydrogen 3.079 N/A ARG 113.A N LEU 109.A O no hydrogen 3.193 N/A ARG 113.A NH1.A ASP 110.A OD1 no hydrogen 2.573 N/A GLN 114.A N ASP 110.A O no hydrogen 2.962 N/A GLN 114.A NE2 ILE 57.A O no hydrogen 2.916 N/A ILE 115.A N PHE 111.A O no hydrogen 2.954 N/A ARG 116.A N GLN 112.A O no hydrogen 3.000 N/A ARG 116.A NE ASP 241.A OD2 no hydrogen 2.760 N/A ARG 116.A NH2 ASP 241.A OD1 no hydrogen 2.955 N/A ARG 116.A NH2 ASP 241.A OD2 no hydrogen 3.527 N/A THR 117.A N ARG 113.A O no hydrogen 2.978 N/A THR 117.A OG1 ARG 113.A O no hydrogen 2.912 N/A CYS 118.A N ILE 115.A O no hydrogen 3.372 N/A CYS 118.A SG LYS 120.A O no hydrogen 3.513 N/A LYS 120.A NZ ALA 63.A O no hydrogen 2.751 N/A LYS 120.A NZ ARG 64.A O no hydrogen 3.076 N/A LYS 120.A NZ ILE 69.A O no hydrogen 2.800 N/A VAL 122.A N ASP 142.A OD2 no hydrogen 2.903 N/A VAL 123.A N ILE 72.A O no hydrogen 2.624 N/A ALA 124.A N LEU 143.A O no hydrogen 2.848 N/A MET 125.A N LEU 74.A O no hydrogen 2.846 N/A VAL 126.A N ILE 145.A O no hydrogen 2.877 N/A GLY 128.A N ASN 149.A OD1 no hydrogen 3.042 N/A TYR 129.A N LYS 80.A O no hydrogen 3.051 N/A SER 130.A N ILE 151.A O no hydrogen 2.770 N/A SER 130.A OG GLY 134.A O no hydrogen 3.012 N/A ILE 131.A N CYS 83.A O no hydrogen 2.963 N/A GLY 132.A N GLY 153.A O no hydrogen 2.964 N/A GLY 134.A N ILE 131.A O no hydrogen 3.073 N/A HIS 135.A N GLY 132.A O no hydrogen 2.827 N/A HIS 135.A ND1 GLN 154.A OE1 no hydrogen 2.713 N/A VAL 136.A N GLY 132.A O no hydrogen 3.090 N/A LEU 137.A N GLY 133.A O no hydrogen 3.013 N/A HIS 138.A N GLY 134.A O no hydrogen 3.298 N/A HIS 138.A ND1 THR 144.A OG1 no hydrogen 2.652 N/A MET 139.A N HIS 135.A O no hydrogen 3.056 N/A MET 140.A N VAL 136.A O no hydrogen 2.883 N/A CYS 141.A N LEU 137.A O no hydrogen 3.267 N/A CYS 141.A SG LEU 137.A O no hydrogen 3.389 N/A LEU 143.A N VAL 122.A O no hydrogen 3.497 N/A THR 144.A N ASN 202.A OD1 no hydrogen 2.849 N/A THR 144.A OG1 HIS 138.A ND1 no hydrogen 2.652 N/A ILE 145.A N ALA 124.A O no hydrogen 2.793 N/A ALA 146.A N THR 203.A O no hydrogen 3.075 N/A ALA 147.A N VAL 126.A O no hydrogen 2.851 N/A ASN 149.A ND2 ASP 79.A O no hydrogen 3.027 N/A ALA 150.A N ALA 147.A O no hydrogen 3.018 N/A ILE 151.A N GLY 128.A O no hydrogen 2.974 N/A PHE 152.A N TYR 190.A O no hydrogen 2.781 N/A GLY 153.A N SER 130.A O no hydrogen 3.368 N/A GLN 154.A NE2 GLY 132.A O no hydrogen 3.241 N/A LYS 158.A N THR 155.A O no hydrogen 2.793 N/A VAL 159.A N THR 155.A O no hydrogen 2.907 N/A VAL 159.A N GLY 156.A O no hydrogen 2.976 N/A SER 161.A N GLY 156.A O no hydrogen 2.854 N/A GLY 165.A N ASP 163.A OD1 no hydrogen 2.955 N/A TRP 166.A NE1 ASP 241.A OD1 no hydrogen 3.075 N/A GLY 167.A N ASP 163.A OD1 no hydrogen 3.188 N/A ALA 168.A N GLY 165.A O no hydrogen 3.175 N/A SER 169.A N GLY 165.A O no hydrogen 3.138 N/A SER 169.A OG GLY 165.A O no hydrogen 2.897 N/A TYR 170.A N TRP 166.A O no hydrogen 3.180 N/A ALA 172.A N ALA 168.A O no hydrogen 3.018 N/A ARG 173.A N SER 169.A O no hydrogen 3.205 N/A ARG 173.A NH1 ASP 239.A O no hydrogen 3.104 N/A ILE 174.A N MET 171.A O no hydrogen 2.859 N/A VAL 175.A N MET 171.A O no hydrogen 2.923 N/A GLY 176.A N ALA 172.A O no hydrogen 2.903 N/A LYS 179.A NZ GLU 182.A OE1 no hydrogen 2.783 N/A LYS 179.A NZ GLU 182.A OE2 no hydrogen 3.446 N/A ALA 180.A N GLY 176.A O no hydrogen 3.033 N/A ARG 181.A N GLN 177.A O no hydrogen 3.117 N/A ARG 181.A NE GLN 177.A OE1 no hydrogen 2.918 N/A ARG 181.A NH2 GLN 177.A OE1 no hydrogen 2.911 N/A GLU 182.A N LYS 178.A O no hydrogen 3.117 N/A ILE 183.A N LYS 179.A O no hydrogen 2.900 N/A TRP 184.A N ALA 180.A O no hydrogen 3.060 N/A TRP 184.A NE1 GLY 167.A O no hydrogen 2.905 N/A PHE 185.A N ARG 181.A O no hydrogen 2.825 N/A LEU 186.A N GLU 182.A O no hydrogen 3.059 N/A CYS 187.A N ILE 183.A O no hydrogen 3.172 N/A CYS 187.A SG TRP 184.A O no hydrogen 3.389 N/A TYR 190.A N PHE 152.A O no hydrogen 2.755 N/A TYR 190.A OH GLU 182.A OE2 no hydrogen 2.547 N/A ASP 191.A N GLN 194.A OE1 no hydrogen 2.749 N/A LYS 193.A NZ ASP 197.A OD1 no hydrogen 2.956 N/A LYS 193.A NZ ASP 197.A OD2 no hydrogen 2.835 N/A GLN 194.A N ASP 191.A OD1 no hydrogen 2.859 N/A ALA 195.A N ASP 191.A O no hydrogen 2.942 N/A LEU 196.A N ALA 192.A O no hydrogen 2.911 N/A ASP 197.A N LYS 193.A O no hydrogen 2.967 N/A MET 198.A N GLN 194.A O no hydrogen 3.225 N/A GLY 199.A N LEU 196.A O no hydrogen 3.051 N/A LEU 200.A N ALA 195.A O no hydrogen 2.906 N/A ASN 202.A N THR 144.A O no hydrogen 2.941 N/A VAL 205.A N ALA 146.A O no hydrogen 2.970 N/A LEU 207.A N ASP 148.A OD1 no hydrogen 3.186 N/A ASP 209.A N PRO 206.A O no hydrogen 2.837 N/A LEU 210.A N LEU 207.A O no hydrogen 3.062 N/A LYS 212.A NZ GLU 213.A OE2 no hydrogen 3.512 N/A GLU 213.A N ASP 209.A O no hydrogen 2.923 N/A THR 214.A N LEU 210.A O no hydrogen 2.933 N/A THR 214.A OG1 LEU 210.A O no hydrogen 2.756 N/A VAL 215.A N GLU 211.A O no hydrogen 2.856 N/A ARG 216.A N LYS 212.A O no hydrogen 3.074 N/A ARG 216.A NE GLU 220.A OE2 no hydrogen 2.939 N/A ARG 216.A NH2 TYR 10.A OH no hydrogen 3.136 N/A TRP 217.A N GLU 213.A O no hydrogen 3.001 N/A CYS 218.A N THR 214.A O no hydrogen 2.972 N/A CYS 218.A SG THR 214.A O no hydrogen 3.357 N/A ARG 219.A N VAL 215.A O no hydrogen 2.830 N/A ARG 219.A NE ASP 32.A OD2 no hydrogen 2.799 N/A ARG 219.A NH1 LEU 9.A O no hydrogen 2.844 N/A ARG 219.A NH1 ALA 11.A O no hydrogen 2.725 N/A ARG 219.A NH2 ALA 11.A O no hydrogen 3.367 N/A ARG 219.A NH2 PRO 12.A O no hydrogen 3.009 N/A ARG 219.A NH2 ASP 32.A OD2 no hydrogen 3.161 N/A GLU 220.A N ARG 216.A O no hydrogen 2.948 N/A MET 221.A N TRP 217.A O no hydrogen 3.261 N/A LEU 222.A N CYS 218.A O no hydrogen 2.909 N/A GLN 223.A NE2.B ARG 219.A O no hydrogen 2.841 N/A ASN 224.A N MET 221.A O no hydrogen 3.026 N/A ALA 228.A N SER 225.A OG no hydrogen 3.057 N/A LEU 229.A N SER 225.A O no hydrogen 2.975 N/A ARG 230.A N PRO 226.A O no hydrogen 3.051 N/A ARG 230.A NE ASN 252.A OD1 no hydrogen 2.737 N/A CYS 231.A N MET 227.A O no hydrogen 3.068 N/A CYS 231.A SG MET 227.A O no hydrogen 3.381 N/A LEU 232.A N ALA 228.A O no hydrogen 2.932 N/A LYS 233.A N LEU 229.A O no hydrogen 2.863 N/A LYS 233.A NZ ILE 115.A O no hydrogen 3.002 N/A LYS 233.A NZ CYS 118.A O no hydrogen 3.040 N/A LYS 233.A NZ LYS 120.A O no hydrogen 3.401 N/A LYS 233.A NZ ASP 142.A OD2 no hydrogen 2.755 N/A ALA 234.A N ARG 230.A O no hydrogen 3.029 N/A ALA 235.A N CYS 231.A O no hydrogen 2.875 N/A LEU 236.A N LEU 232.A O no hydrogen 2.869 N/A ASN 237.A N LYS 233.A O no hydrogen 3.016 N/A ASN 237.A ND2 ARG 116.A O no hydrogen 2.794 N/A ASN 237.A ND2 GLU 248.A OE1 no hydrogen 3.466 N/A ASN 237.A ND2 GLU 248.A OE2 no hydrogen 2.916 N/A ALA 238.A N ALA 234.A O no hydrogen 2.883 N/A ASP 239.A N LEU 236.A O no hydrogen 3.402 N/A CYS 240.A N ASN 237.A O no hydrogen 2.896 N/A ASP 241.A N ASN 237.A O no hydrogen 2.834 N/A GLY 245.A N ASP 241.A O no hydrogen 3.057 N/A LEU 246.A N GLY 242.A O no hydrogen 3.000 N/A GLN 247.A N GLN 243.A O no hydrogen 2.818 N/A GLU 248.A N ALA 244.A O no hydrogen 3.347 N/A LEU 249.A N GLY 245.A O no hydrogen 3.000 N/A ALA 250.A N LEU 246.A O no hydrogen 2.811 N/A GLY 251.A N GLN 247.A O no hydrogen 2.978 N/A ASN 252.A N GLU 248.A O no hydrogen 3.191 N/A ASN 252.A ND2 GLU 248.A O no hydrogen 2.974 N/A ALA 253.A N LEU 249.A O no hydrogen 3.139 N/A THR 254.A N ALA 250.A O no hydrogen 2.806 N/A THR 254.A OG1 ALA 250.A O no hydrogen 3.207 N/A MET 255.A N GLY 251.A O no hydrogen 3.079 N/A LEU 256.A N ASN 252.A O no hydrogen 2.980 N/A PHE 257.A N ALA 253.A O no hydrogen 2.846 N/A TYR 258.A N THR 254.A O no hydrogen 2.885 N/A MET 259.A N LEU 256.A O no hydrogen 2.984 N/A THR 260.A N PHE 257.A O no hydrogen 3.074 N/A THR 260.A OG1 PHE 257.A O no hydrogen 2.783 N/A GLY 263.A N THR 260.A OG1 no hydrogen 3.187 N/A GLN 264.A N THR 260.A O no hydrogen 3.005 N/A GLN 264.A NE2 TYR 258.A O no hydrogen 3.004 N/A GLU 265.A N GLU 261.A O no hydrogen 2.877 N/A ARG 267.A N GLY 263.A O no hydrogen 3.459 N/A ARG 267.A NE ASN 268.A OD1 no hydrogen 3.107 N/A ARG 267.A NH1 ASN 268.A OD1 no hydrogen 2.969 N/A ASN 268.A N GLN 264.A O no hydrogen 2.843 N/A ALA 269.A N GLU 265.A O no hydrogen 2.824 N/A PHE 270.A N GLY 266.A O no hydrogen 3.155 N/A ASN 271.A N ARG 267.A O no hydrogen 2.962 N/A GLN 272.A N ASN 268.A O no hydrogen 2.893 N/A LYS 273.A N PHE 270.A O no hydrogen 3.118 N/A ARG 274.A N ALA 269.A O no hydrogen 3.020 N/A ARG 274.A NE GLN 272.A OE1 no hydrogen 2.748 N/A ARG 274.A NH1 GLU 265.A OE1 no hydrogen 3.059 N/A ARG 274.A NH1 GLU 265.A OE2 no hydrogen 3.456 N/A ARG 274.A NH1 GLN 272.A OE1 no hydrogen 3.296 N/A ARG 274.A NH2 GLU 265.A OE2 no hydrogen 2.827 N/A ARG 274.A NH2 GLN 275.A O no hydrogen 3.376 N/A ASP 277.A N GLU 265.A OE2 no hydrogen 2.869 N/A SER 279.A N ASP 277.A OD1 no hydrogen 3.061 N/A SER 279.A OG ASP 277.A OD1 no hydrogen 2.570 N/A SER 279.A OG ASP 277.A OD2 no hydrogen 3.537 N/A PHE 281.A N PHE 278.A O no hydrogen 3.097 N/A