Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a3h_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 90.A O no hydrogen 3.096 N/A GLU 4.A N ASP 90.A OD2 no hydrogen 2.868 N/A GLU 5.A N SER 1.A O no hydrogen 2.913 N/A HIS 6.A N VAL 2.A O no hydrogen 2.857 N/A GLY 7.A N VAL 3.A O no hydrogen 2.742 N/A GLN 8.A N GLU 19.A OE1 no hydrogen 2.905 N/A GLN 8.A NE2 ASN 166.A OD1 no hydrogen 2.797 N/A SER 10.A N VAL 17.A O no hydrogen 3.003 N/A ILE 11.A N ASN 191.A OD1 no hydrogen 3.028 N/A SER 12.A N GLU 15.A O no hydrogen 2.895 N/A GLU 15.A N SER 12.A O no hydrogen 2.946 N/A VAL 17.A N SER 10.A O no hydrogen 2.906 N/A ASN 18.A N GLU 22.A O no hydrogen 2.828 N/A ASN 18.A ND2 HIS 6.A ND1 no hydrogen 3.000 N/A GLU 19.A N HIS 6.A O no hydrogen 3.107 N/A ARG 20.A N ASN 18.A OD1 no hydrogen 2.917 N/A GLY 21.A N ASN 18.A O no hydrogen 2.931 N/A GLU 22.A N ASN 18.A OD1 no hydrogen 2.913 N/A VAL 24.A N LEU 16.A O no hydrogen 3.167 N/A GLN 25.A NE2 ASP 250.A OD1 no hydrogen 3.088 N/A GLN 25.A NE2 LEU 254.A O no hydrogen 2.893 N/A LEU 26.A N SER 255.A OG no hydrogen 2.773 N/A LYS 27.A N ASN 56.A OD1 no hydrogen 2.757 N/A LYS 27.A NZ ASP 250.A OD1 no hydrogen 2.903 N/A LYS 27.A NZ SER 300.A OG no hydrogen 2.635 N/A GLY 28.A N TRP 256.A O no hydrogen 3.001 N/A SER 30.A N ASN 258.A O no hydrogen 2.801 N/A SER 30.A OG SER 31.A O no hydrogen 2.827 N/A SER 31.A N ARG 59.A O no hydrogen 2.867 N/A SER 31.A OG HIS 32.A O no hydrogen 2.763 N/A GLY 33.A N HIS 32.A ND1 no hydrogen 2.802 N/A LEU 34.A N ALA 61.A O no hydrogen 3.188 N/A GLN 35.A N GLN 35.A OE1 no hydrogen 2.742 N/A GLN 35.A NE2 SER 66.A O no hydrogen 2.869 N/A TRP 36.A N GLY 33.A O no hydrogen 3.052 N/A TYR 37.A N GLY 33.A O no hydrogen 2.914 N/A GLN 39.A N GLN 39.A OE1 no hydrogen 2.806 N/A PHE 40.A N TYR 37.A O no hydrogen 3.298 N/A VAL 41.A N GLY 38.A O no hydrogen 3.026 N/A ASN 42.A N SER 45.A OG no hydrogen 3.390 N/A ASN 42.A ND2 GLN 39.A O no hydrogen 2.863 N/A ASN 42.A ND2 PRO 277.A O no hydrogen 2.999 N/A SER 45.A N ASN 42.A OD1 no hydrogen 2.818 N/A SER 45.A OG PHE 40.A O no hydrogen 2.680 N/A SER 45.A OG ASN 42.A O no hydrogen 3.231 N/A MET 46.A N ASN 42.A O no hydrogen 2.963 N/A LYS 47.A N TYR 43.A O no hydrogen 2.834 N/A TRP 48.A N GLU 44.A O no hydrogen 2.966 N/A LEU 49.A N SER 45.A O no hydrogen 2.904 N/A ARG 50.A N MET 46.A O no hydrogen 2.836 N/A ARG 50.A NE ASP 51.A OD1 no hydrogen 2.946 N/A ARG 50.A NH1 LEU 89.A O no hydrogen 2.882 N/A ARG 50.A NH2 ASP 51.A OD1 no hydrogen 3.138 N/A ASP 51.A N LYS 47.A O no hydrogen 2.839 N/A ASP 52.A N TRP 48.A O no hydrogen 2.753 N/A TRP 53.A N LEU 49.A O no hydrogen 3.042 N/A ILE 55.A N LEU 49.A O no hydrogen 3.203 N/A ASN 56.A N LYS 27.A O no hydrogen 3.140 N/A ASN 56.A ND2 GLN 25.A O no hydrogen 3.350 N/A PHE 58.A N TYR 92.A O no hydrogen 3.020 N/A ARG 59.A N MET 29.A O no hydrogen 2.934 N/A ARG 59.A NE GLU 132.A OE1 no hydrogen 2.752 N/A ARG 59.A NH1 SER 30.A OG no hydrogen 3.056 N/A ARG 59.A NH1 GLU 225.A OE1 no hydrogen 2.977 N/A ARG 59.A NH2 GLU 132.A OE1 no hydrogen 3.505 N/A ARG 59.A NH2 GLU 132.A OE2 no hydrogen 3.013 N/A ARG 59.A NH2 ASN 135.A OD1 no hydrogen 2.855 N/A ARG 59.A NH2 GLU 225.A OE1 no hydrogen 3.339 N/A ALA 60.A N ILE 94.A O no hydrogen 2.929 N/A ALA 61.A N SER 31.A OG no hydrogen 2.861 N/A MET 62.A N ASP 96.A O no hydrogen 3.067 N/A TYR 63.A N ALA 61.A O no hydrogen 3.246 N/A THR 64.A N HIS 98.A O no hydrogen 3.370 N/A THR 64.A OG1 HIS 98.A O no hydrogen 3.428 N/A THR 64.A OG1 ASP 102.A OD1 no hydrogen 3.280 N/A THR 64.A OG1 ASP 102.A OD2 no hydrogen 2.660 N/A GLY 67.A N ASP 71.A OD2 no hydrogen 3.304 N/A GLY 68.A N SER 65.A O no hydrogen 2.863 N/A TYR 69.A N TYR 63.A O no hydrogen 2.839 N/A ILE 70.A N THR 64.A O no hydrogen 2.897 N/A ASP 72.A N GLY 68.A O no hydrogen 2.867 N/A SER 74.A N ASP 72.A OD1 no hydrogen 3.073 N/A SER 74.A OG ASP 72.A OD1 no hydrogen 2.781 N/A SER 74.A OG ASP 72.A OD2 no hydrogen 3.464 N/A LYS 76.A N PRO 73.A O no hydrogen 2.952 N/A LYS 76.A NZ GLU 118.A OE1 no hydrogen 2.782 N/A LYS 76.A NZ GLU 118.A OE2 no hydrogen 3.279 N/A GLU 77.A N SER 74.A O no hydrogen 2.941 N/A LYS 78.A N VAL 75.A O no hydrogen 2.982 N/A LYS 78.A NZ VAL 41.A O no hydrogen 3.432 N/A LYS 78.A NZ GLU 81.A OE1 no hydrogen 2.779 N/A VAL 79.A N VAL 75.A O no hydrogen 3.208 N/A LYS 80.A N LYS 76.A O no hydrogen 3.031 N/A LYS 80.A NZ GLU 77.A OE2 no hydrogen 2.976 N/A LYS 80.A NZ GLU 118.A OE2 no hydrogen 2.743 N/A GLU 81.A N GLU 77.A O no hydrogen 2.905 N/A ALA 82.A N LYS 78.A O no hydrogen 2.958 N/A VAL 83.A N VAL 79.A O no hydrogen 2.934 N/A GLU 84.A N LYS 80.A O no hydrogen 2.892 N/A ALA 85.A N GLU 81.A O no hydrogen 2.975 N/A ALA 86.A N ALA 82.A O no hydrogen 2.946 N/A ILE 87.A N VAL 83.A O no hydrogen 2.915 N/A ASP 88.A N GLU 84.A O no hydrogen 2.824 N/A LEU 89.A N ALA 85.A O no hydrogen 2.826 N/A ASP 90.A N ILE 87.A O no hydrogen 3.266 N/A ILE 91.A N ALA 86.A O no hydrogen 3.011 N/A TYR 92.A N ASN 56.A O no hydrogen 2.995 N/A TYR 92.A OH GLY 7.A O no hydrogen 2.703 N/A VAL 93.A N ASN 128.A O no hydrogen 2.862 N/A ILE 94.A N PHE 58.A O no hydrogen 2.886 N/A ILE 95.A N ILE 130.A O no hydrogen 2.926 N/A ASP 96.A N ALA 60.A O no hydrogen 3.159 N/A TRP 97.A N GLU 132.A O no hydrogen 2.946 N/A HIS 98.A N MET 62.A O no hydrogen 2.934 N/A HIS 98.A ND1 ASP 96.A OD2 no hydrogen 2.607 N/A ILE 99.A N TRP 97.A O no hydrogen 3.020 N/A LEU 100.A N ASP 102.A OD1 no hydrogen 2.954 N/A SER 101.A OG.A SER 66.A OG no hydrogen 3.255 N/A ASN 103.A ND2 ASN 138.A O no hydrogen 2.906 N/A ASN 106.A N ASP 104.A OD1 no hydrogen 2.904 N/A ASN 106.A ND2 ASP 104.A OD1 no hydrogen 2.952 N/A ASN 106.A ND2 GLN 147.A O no hydrogen 2.935 N/A ILE 107.A N ASP 104.A O no hydrogen 3.067 N/A LYS 109.A N ASN 106.A O no hydrogen 3.256 N/A LYS 109.A NZ GLU 154.A OE2 no hydrogen 2.744 N/A GLU 111.A N GLU 111.A OE1 no hydrogen 2.750 N/A ALA 112.A N TYR 108.A O no hydrogen 2.884 N/A LYS 113.A N LYS 109.A O no hydrogen 2.921 N/A LYS 113.A NZ GLU 154.A OE1 no hydrogen 3.484 N/A ASP 114.A N GLU 110.A O no hydrogen 3.102 N/A PHE 115.A N GLU 111.A O no hydrogen 2.882 N/A PHE 116.A N ALA 112.A O no hydrogen 2.804 N/A ASP 117.A N LYS 113.A O no hydrogen 2.894 N/A GLU 118.A N ASP 114.A O no hydrogen 2.985 N/A MET 119.A N PHE 115.A O no hydrogen 2.931 N/A SER 120.A N PHE 116.A O no hydrogen 2.930 N/A SER 120.A OG PHE 116.A O no hydrogen 2.706 N/A SER 120.A OG ASP 117.A O no hydrogen 3.297 N/A GLU 121.A N ASP 117.A O no hydrogen 2.879 N/A LEU 122.A N GLU 118.A O no hydrogen 2.975 N/A TYR 123.A N MET 119.A O no hydrogen 2.919 N/A TYR 123.A OH GLU 84.A OE2 no hydrogen 2.758 N/A TYR 126.A N TYR 123.A O no hydrogen 3.087 N/A ASN 128.A ND2 ILE 91.A O no hydrogen 2.925 N/A ILE 130.A N VAL 93.A O no hydrogen 2.911 N/A TYR 131.A N ILE 167.A O no hydrogen 2.906 N/A TYR 131.A OH ASP 163.A OD2 no hydrogen 2.658 N/A GLU 132.A N ILE 95.A O no hydrogen 2.760 N/A ILE 133.A N ILE 169.A O no hydrogen 3.185 N/A ASN 135.A N TRP 97.A O no hydrogen 3.002 N/A ASN 135.A ND2 ILE 99.A O no hydrogen 2.961 N/A ASN 138.A N ASN 103.A O no hydrogen 2.994 N/A ASN 138.A ND2 LEU 100.A O no hydrogen 2.993 N/A ASN 138.A ND2 GLU 136.A O no hydrogen 2.860 N/A VAL 142.A N GLY 139.A O no hydrogen 3.172 N/A THR 143.A N GLN 147.A OE1 no hydrogen 2.770 N/A THR 143.A OG1 GLN 147.A OE1 no hydrogen 3.337 N/A TRP 144.A NE1 ASN 185.A O no hydrogen 2.775 N/A ASN 146.A N THR 143.A OG1 no hydrogen 3.172 N/A GLN 147.A N THR 143.A O no hydrogen 2.963 N/A ILE 148.A N THR 143.A O no hydrogen 2.937 N/A LYS 149.A N TRP 144.A O no hydrogen 2.756 N/A LYS 149.A NZ ASN 185.A OD1 no hydrogen 2.643 N/A TYR 151.A N GLN 147.A O no hydrogen 3.220 N/A TYR 151.A OH ILE 133.A O no hydrogen 2.714 N/A ALA 152.A N ILE 148.A O no hydrogen 2.911 N/A GLU 153.A N LYS 149.A O no hydrogen 2.886 N/A GLU 154.A N TYR 151.A O no hydrogen 3.016 N/A VAL 155.A N TYR 151.A O no hydrogen 2.999 N/A ILE 156.A N ALA 152.A O no hydrogen 2.818 N/A ILE 159.A N VAL 155.A O no hydrogen 3.168 N/A ARG 160.A N ILE 156.A O no hydrogen 2.824 N/A ARG 160.A NE ASP 189.A OD2 no hydrogen 2.833 N/A ARG 160.A NH1 ASP 163.A O no hydrogen 3.053 N/A ARG 160.A NH1 ASN 166.A O no hydrogen 2.844 N/A ARG 160.A NH2 ASN 166.A O no hydrogen 2.902 N/A ARG 160.A NH2 ASP 189.A OD1 no hydrogen 2.919 N/A ASN 161.A N PRO 157.A O no hydrogen 3.006 N/A ASN 162.A N ILE 159.A O no hydrogen 2.917 N/A ASN 162.A ND2 ASP 117.A OD1.A no hydrogen 3.202 N/A ASN 162.A ND2 ASP 117.A OD1.B no hydrogen 2.962 N/A ASN 162.A ND2 SER 120.A OG no hydrogen 2.864 N/A ASP 163.A N ILE 159.A O no hydrogen 2.777 N/A ASN 165.A N ASP 163.A OD1 no hydrogen 3.394 N/A ASN 166.A N ASP 163.A OD1 no hydrogen 3.022 N/A ASN 166.A ND2 TYR 126.A O no hydrogen 2.910 N/A ASN 166.A ND2 ASP 163.A OD2 no hydrogen 2.741 N/A ILE 168.A N ASN 191.A O no hydrogen 3.105 N/A ILE 169.A N TYR 131.A O no hydrogen 2.729 N/A VAL 170.A N MET 193.A O no hydrogen 2.827 N/A THR 172.A N SER 176.A OG no hydrogen 3.114 N/A THR 172.A OG1 ALA 195.A O no hydrogen 2.992 N/A TRP 175.A N PRO 137.A O no hydrogen 2.854 N/A SER 176.A N THR 172.A O no hydrogen 2.916 N/A SER 176.A OG ASN 135.A O no hydrogen 2.813 N/A SER 176.A OG THR 172.A O no hydrogen 3.528 N/A GLN 177.A N GLY 173.A O no hydrogen 2.937 N/A GLN 177.A NE2 THR 174.A O no hydrogen 2.772 N/A ASP 178.A N GLY 173.A O no hydrogen 2.905 N/A VAL 179.A N GLN 177.A O no hydrogen 2.890 N/A HIS 180.A ND1 GLN 210.A OE1 no hydrogen 2.707 N/A HIS 181.A N ASP 178.A OD1 no hydrogen 3.116 N/A HIS 181.A ND1 ASP 178.A OD1 no hydrogen 3.072 N/A HIS 181.A ND1 ASP 178.A OD2 no hydrogen 2.540 N/A ALA 183.A N VAL 179.A O no hydrogen 2.840 N/A ASP 184.A N HIS 180.A O no hydrogen 3.136 N/A ASN 185.A N ALA 182.A O no hydrogen 3.002 N/A GLN 186.A NE2 ALA 183.A O no hydrogen 2.883 N/A GLN 186.A NE2 GLN 217.A O no hydrogen 3.011 N/A LEU 187.A N TYR 194.A OH no hydrogen 2.924 N/A ASN 191.A N ASP 189.A OD1 no hydrogen 2.821 N/A MET 193.A N ILE 168.A O no hydrogen 2.938 N/A TYR 194.A N ALA 220.A O no hydrogen 2.852 N/A ALA 195.A N VAL 170.A O no hydrogen 2.853 N/A PHE 196.A N PHE 222.A O no hydrogen 3.128 N/A HIS 197.A N SER 176.A O no hydrogen 2.896 N/A HIS 197.A ND1 GLU 136.A OE2 no hydrogen 2.607 N/A HIS 197.A NE2 SER 224.A OG no hydrogen 2.723 N/A TYR 199.A OH GLU 225.A OE2 no hydrogen 3.069 N/A ALA 200.A N GLY 227.A O no hydrogen 2.923 N/A GLY 201.A N SER 229.A O no hydrogen 2.859 N/A THR 202.A N TYR 199.A O no hydrogen 3.012 N/A GLY 204.A N GLU 241.A OE2 no hydrogen 2.858 N/A ARG 208.A N GLY 204.A O no hydrogen 2.965 N/A ARG 208.A NH1 GLU 241.A OE2 no hydrogen 2.851 N/A ARG 208.A NH2 GLU 241.A OE2 no hydrogen 3.020 N/A ASP 209.A N GLN 205.A O no hydrogen 3.191 N/A GLN 210.A N ASN 206.A O no hydrogen 2.843 N/A VAL 211.A N LEU 207.A O no hydrogen 2.983 N/A ASP 212.A N ARG 208.A O no hydrogen 2.982 N/A TYR 213.A N ASP 209.A O no hydrogen 2.870 N/A TYR 213.A OH ASP 184.A OD1 no hydrogen 2.545 N/A TYR 213.A OH ASP 184.A OD2 no hydrogen 3.380 N/A ALA 214.A N GLN 210.A O no hydrogen 3.047 N/A LEU 215.A N VAL 211.A O no hydrogen 2.900 N/A ASP 216.A N ASP 212.A O no hydrogen 2.897 N/A GLN 217.A N ALA 214.A O no hydrogen 3.010 N/A GLN 217.A NE2 TYR 213.A O no hydrogen 2.968 N/A GLY 218.A N LEU 215.A O no hydrogen 2.900 N/A ALA 219.A N ALA 214.A O no hydrogen 3.310 N/A PHE 222.A N TYR 194.A O no hydrogen 2.996 N/A VAL 223.A N SER 255.A O no hydrogen 2.897 N/A SER 224.A OG GLU 132.A OE2 no hydrogen 2.598 N/A SER 224.A OG HIS 197.A NE2 no hydrogen 2.723 N/A TRP 226.A N ALA 257.A O no hydrogen 3.235 N/A GLY 227.A N PHE 198.A O no hydrogen 3.019 N/A THR 228.A OG1 SER 289.A OG no hydrogen 2.696 N/A SER 229.A OG ALA 230.A O no hydrogen 2.861 N/A ALA 230.A N ASP 234.A O no hydrogen 2.910 N/A GLY 233.A N ALA 230.A O no hydrogen 2.826 N/A ASP 234.A N THR 232.A OG1 no hydrogen 3.176 N/A GLY 236.A N SER 267.A OG no hydrogen 2.959 N/A PHE 238.A N THR 228.A O no hydrogen 2.820 N/A ALA 242.A N PHE 238.A O no hydrogen 3.013 N/A GLN 243.A N LEU 239.A O no hydrogen 2.922 N/A GLN 243.A NE2 ASP 247.A OD1 no hydrogen 2.921 N/A VAL 244.A N ASP 240.A O no hydrogen 3.131 N/A TRP 245.A N GLU 241.A O no hydrogen 3.049 N/A ILE 246.A N ALA 242.A O no hydrogen 2.813 N/A ASP 247.A N GLN 243.A O no hydrogen 2.931 N/A PHE 248.A N VAL 244.A O no hydrogen 2.967 N/A MET 249.A N TRP 245.A O no hydrogen 2.869 N/A ASP 250.A N ILE 246.A O no hydrogen 2.990 N/A GLU 251.A N ASP 247.A O no hydrogen 2.943 N/A ARG 252.A N PHE 248.A O no hydrogen 3.013 N/A ARG 252.A NE ASP 212.A OD1 no hydrogen 2.873 N/A ARG 252.A NH2 ASP 212.A OD1 no hydrogen 3.561 N/A ARG 252.A NH2 ASP 212.A OD2 no hydrogen 2.891 N/A ASN 253.A N ASP 250.A O no hydrogen 3.181 N/A LEU 254.A N MET 249.A O no hydrogen 2.832 N/A TRP 256.A N LEU 26.A O no hydrogen 2.838 N/A ALA 257.A N VAL 223.A O no hydrogen 3.068 N/A ASN 258.A N GLY 28.A O no hydrogen 2.958 N/A TRP 259.A N TRP 226.A O no hydrogen 2.854 N/A SER 260.A N SER 268.A O no hydrogen 3.252 N/A LEU 261.A N SER 30.A O no hydrogen 2.814 N/A LYS 264.A N THR 262.A OG1 no hydrogen 3.274 N/A GLU 266.A N LYS 264.A O no hydrogen 2.881 N/A SER 267.A N ASP 234.A OD1 no hydrogen 2.915 N/A SER 267.A OG ASP 234.A OD1 no hydrogen 3.204 N/A SER 268.A N GLY 233.A O no hydrogen 3.125 N/A SER 268.A OG GLY 233.A O no hydrogen 2.777 N/A ALA 269.A N GLU 266.A O no hydrogen 2.951 N/A ALA 270.A N SER 260.A O no hydrogen 2.927 N/A LEU 271.A N THR 262.A O no hydrogen 3.014 N/A MET 272.A N GLU 285.A O no hydrogen 2.871 N/A ALA 275.A N MET 272.A O no hydrogen 2.981 N/A THR 278.A N ASN 276.A OD1 no hydrogen 2.784 N/A THR 278.A OG1 ASN 276.A OD1 no hydrogen 2.676 N/A GLY 279.A N ASN 276.A O no hydrogen 3.163 N/A TRP 281.A NE1 ASN 276.A O no hydrogen 2.634 N/A THR 282.A N GLU 285.A OE1 no hydrogen 2.841 N/A THR 282.A OG1 GLU 285.A OE1 no hydrogen 3.083 N/A GLU 283.A N GLU 283.A OE1 no hydrogen 2.797 N/A GLU 285.A N THR 282.A O no hydrogen 2.994 N/A LEU 286.A N GLU 283.A O no hydrogen 3.105 N/A SER 287.A N ALA 270.A O no hydrogen 3.053 N/A SER 287.A OG ALA 269.A O no hydrogen 2.533 N/A SER 289.A OG THR 228.A OG1 no hydrogen 2.696 N/A GLY 290.A N SER 287.A OG no hydrogen 2.934 N/A THR 291.A N SER 287.A O no hydrogen 2.859 N/A THR 291.A OG1 SER 287.A O no hydrogen 3.052 N/A PHE 292.A N PRO 288.A O no hydrogen 3.232 N/A VAL 293.A N SER 289.A O no hydrogen 2.924 N/A ARG 294.A N GLY 290.A O no hydrogen 2.879 N/A ARG 294.A NE ASP 52.A OD2 no hydrogen 2.774 N/A ARG 294.A NH2 ASP 52.A OD1 no hydrogen 3.144 N/A ARG 294.A NH2 ASP 52.A OD2 no hydrogen 3.382 N/A GLU 295.A N THR 291.A O no hydrogen 3.077 N/A LYS 296.A N PHE 292.A O no hydrogen 2.919 N/A LYS 296.A NZ GLN 243.A OE1 no hydrogen 2.823 N/A LYS 296.A NZ GLU 299.A OE1 no hydrogen 3.022 N/A LYS 296.A NZ GLU 299.A OE2 no hydrogen 3.364 N/A ILE 297.A N VAL 293.A O no hydrogen 3.003 N/A ARG 298.A N ARG 294.A O no hydrogen 2.905 N/A ARG 298.A NH1 ASP 52.A O no hydrogen 2.782 N/A GLU 299.A N GLU 295.A O no hydrogen 2.912 N/A SER 300.A N LYS 296.A O no hydrogen 3.277 N/A