Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2w2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N GLU 1.A O no hydrogen 3.348 N/A TRP 15.A NE1 GLY 8.A O no hydrogen 3.266 N/A LEU 17.A N GLU 14.A O no hydrogen 3.062 N/A VAL 18.A N TRP 15.A O no hydrogen 3.019 N/A PHE 19.A N TRP 15.A O no hydrogen 2.758 N/A ALA 22.A N PHE 19.A O no hydrogen 2.864 N/A ASN 23.A N PRO 20.A O no hydrogen 3.088 N/A ASN 23.A ND2 GLY 16.A O no hydrogen 2.859 N/A ASN 23.A ND2 PRO 20.A O no hydrogen 3.364 N/A GLY 24.A N ASP 21.A O no hydrogen 3.041 N/A TYR 26.A N GLU 207.A OE2 no hydrogen 2.865 N/A TYR 26.A OH ASP 260.A OD1 no hydrogen 2.944 N/A GLN 27.A NE2 CYS 205.A O no hydrogen 3.160 N/A GLN 27.A NE2 GLU 207.A OE2 no hydrogen 2.974 N/A SER 28.A N SER 199.A OG no hydrogen 2.908 N/A SER 28.A OG TYR 196.A OH no hydrogen 2.741 N/A SER 28.A OG SER 199.A O no hydrogen 3.368 N/A LEU 32.A N THR 108.A O no hydrogen 2.814 N/A SER 34.A N ASN 110.A OD1 no hydrogen 2.930 N/A ARG 35.A N ASN 33.A OD1.A no hydrogen 3.013 N/A GLU 36.A N ASN 33.A O.A no hydrogen 3.082 N/A GLU 36.A N ASN 33.A O.B no hydrogen 2.907 N/A GLU 36.A N ASN 33.A OD1.A no hydrogen 3.296 N/A ALA 37.A N SER 34.A O no hydrogen 3.309 N/A ARG 38.A N ILE 263.A O no hydrogen 2.761 N/A ASP 40.A N ALA 265.A O no hydrogen 3.176 N/A SER 42.A N ASP 40.A OD1 no hydrogen 2.937 N/A SER 42.A OG ASP 40.A OD1 no hydrogen 2.792 N/A SER 42.A OG ASP 40.A OD2 no hydrogen 3.045 N/A LEU 43.A N ASP 40.A O no hydrogen 2.976 N/A LEU 44.A N PRO 41.A O no hydrogen 3.160 N/A ASP 45.A N SER 42.A O no hydrogen 3.154 N/A SER 49.A N SER 78.A O no hydrogen 2.716 N/A ASN 51.A N VAL 76.A O no hydrogen 2.769 N/A TYR 52.A OH HIS 122.A NE2 no hydrogen 2.672 N/A VAL 53.A N SER 75.A OG no hydrogen 2.925 N/A CYS 55.A N PHE 179.A O no hydrogen 2.787 N/A CYS 55.A SG ASP 57.A O no hydrogen 3.255 N/A CYS 58.A SG.A CYS 55.A O no hydrogen 3.332 N/A CYS 58.A SG.A ILE 176.A O no hydrogen 3.841 N/A CYS 58.A SG.B ILE 70.A O no hydrogen 3.904 N/A GLU 59.A N ILE 70.A O no hydrogen 3.334 N/A VAL 60.A N LYS 174.A O no hydrogen 2.786 N/A THR 61.A N.A GLN 68.A O no hydrogen 2.951 N/A THR 61.A N.B GLN 68.A O no hydrogen 2.946 N/A THR 61.A OG1.A SER 173.A OG no hydrogen 2.661 N/A ASN 62.A N LYS 172.A O no hydrogen 2.957 N/A ASN 62.A ND2 ILE 167.A O no hydrogen 3.121 N/A ASN 62.A ND2 ARG 232.A O.A no hydrogen 3.282 N/A ASN 62.A ND2 ARG 232.A O.B no hydrogen 3.293 N/A ASP 63.A N THR 66.A O no hydrogen 3.347 N/A GLY 64.A N ASN 62.A OD1 no hydrogen 2.818 N/A HIS 65.A N ASP 63.A OD1 no hydrogen 2.802 N/A THR 66.A N ASP 63.A OD1 no hydrogen 2.853 N/A THR 66.A OG1 ILE 67.A O no hydrogen 3.204 N/A THR 66.A OG1 PHE 95.A O no hydrogen 2.539 N/A GLN 68.A N THR 61.A O.A no hydrogen 3.013 N/A GLN 68.A N THR 61.A O.B no hydrogen 3.001 N/A GLN 68.A NE2 GLU 92.A OE1 no hydrogen 2.444 N/A VAL 69.A N VAL 93.A O no hydrogen 2.839 N/A ILE 70.A N GLU 59.A O no hydrogen 2.764 N/A LEU 71.A N TYR 91.A O no hydrogen 2.914 N/A LYS 72.A NZ.B LEU 71.A O no hydrogen 3.533 N/A SER 73.A OG LEU 90.A O no hydrogen 3.541 N/A LYS 74.A NZ.B LYS 72.A O.A no hydrogen 2.634 N/A LYS 74.A NZ.B LYS 72.A O.B no hydrogen 3.058 N/A VAL 76.A N ASN 51.A O no hydrogen 3.008 N/A LEU 77.A N PHE 88.A O no hydrogen 2.687 N/A SER 78.A N SER 49.A O no hydrogen 3.162 N/A GLY 80.A N VAL 46.A O no hydrogen 2.775 N/A LEU 82.A N GLY 79.A O no hydrogen 2.968 N/A HIS 86.A N PRO 83.A O no hydrogen 3.077 N/A GLU 87.A N THR 126.A OG1 no hydrogen 2.865 N/A PHE 88.A N LEU 77.A O no hydrogen 2.952 N/A GLU 89.A N TRP 123.A O no hydrogen 2.802 N/A LEU 90.A N SER 75.A O no hydrogen 2.913 N/A TYR 91.A N ILE 121.A O no hydrogen 2.808 N/A VAL 93.A N VAL 69.A O no hydrogen 2.942 N/A ARG 94.A N HIS 119.A O no hydrogen 2.929 N/A ARG 94.A NE GLU 92.A OE2 no hydrogen 2.887 N/A ARG 94.A NH1 ASP 63.A OD2 no hydrogen 3.520 N/A ARG 94.A NH2 GLU 92.A OE2 no hydrogen 3.347 N/A PHE 95.A N THR 66.A OG1 no hydrogen 3.126 N/A PHE 95.A N ILE 67.A O no hydrogen 3.303 N/A HIS 96.A N GLU 117.A O no hydrogen 2.924 N/A HIS 96.A ND1 ASN 251.A O no hydrogen 2.722 N/A TRP 97.A N ASN 251.A OD1 no hydrogen 2.797 N/A GLY 98.A N PRO 115.A O no hydrogen 3.226 N/A ARG 99.A N ASP 250.A OD1 no hydrogen 2.800 N/A ARG 99.A NH2 GLU 10.A OE2 no hydrogen 2.990 N/A ASN 101.A ND2 GLN 222.A OE1 no hydrogen 3.301 N/A ARG 103.A N GLU 100.A O no hydrogen 3.278 N/A ARG 103.A NE ASP 250.A OD1 no hydrogen 2.815 N/A ARG 103.A NE ASP 250.A OD2 no hydrogen 3.130 N/A ARG 103.A NH2 ASP 250.A OD2 no hydrogen 2.923 N/A SER 105.A N PHE 114.A O no hydrogen 2.839 N/A SER 105.A OG HIS 107.A O no hydrogen 2.782 N/A GLU 106.A N GLU 117.A OE1 no hydrogen 2.874 N/A HIS 107.A N GLU 117.A OE1 no hydrogen 2.845 N/A HIS 107.A ND1 GLU 117.A OE2 no hydrogen 2.814 N/A HIS 107.A NE2 TYR 196.A OH no hydrogen 2.660 N/A THR 108.A N ILE 30.A O no hydrogen 3.342 N/A THR 108.A OG1 ASN 31.A OD1 no hydrogen 2.727 N/A VAL 109.A N LYS 112.A O no hydrogen 3.066 N/A ASN 110.A N LEU 32.A O no hydrogen 2.819 N/A ASN 110.A ND2 SER 34.A OG no hydrogen 2.939 N/A PHE 111.A N ASN 31.A OD1 no hydrogen 2.774 N/A LYS 112.A N VAL 109.A O no hydrogen 2.943 N/A PHE 114.A N SER 105.A OG no hydrogen 2.937 N/A GLU 117.A N HIS 96.A O no hydrogen 2.905 N/A LEU 118.A N LEU 146.A O no hydrogen 2.972 N/A HIS 119.A N ARG 94.A O no hydrogen 2.835 N/A HIS 119.A NE2 GLU 117.A OE2 no hydrogen 2.615 N/A LEU 120.A N ILE 144.A O no hydrogen 2.861 N/A ILE 121.A N GLU 92.A O no hydrogen 2.913 N/A HIS 122.A N ALA 142.A O no hydrogen 2.863 N/A HIS 122.A ND1 ALA 142.A O no hydrogen 3.110 N/A HIS 122.A NE2 TYR 52.A OH no hydrogen 2.672 N/A TRP 123.A N GLU 89.A O no hydrogen 2.898 N/A TRP 123.A NE1 SER 73.A OG no hydrogen 3.110 N/A ASN 124.A N GLY 140.A O no hydrogen 2.836 N/A ASN 124.A ND2 HIS 86.A ND1 no hydrogen 2.925 N/A ASN 124.A ND2 HIS 139.A O no hydrogen 2.970 N/A SER 125.A N GLU 87.A O no hydrogen 2.992 N/A SER 125.A OG GLU 87.A O no hydrogen 2.975 N/A SER 125.A OG GLU 89.A OE2 no hydrogen 3.392 N/A THR 126.A N ASN 124.A OD1 no hydrogen 2.878 N/A LEU 127.A N ASN 124.A O no hydrogen 3.385 N/A LEU 127.A N ASN 124.A OD1 no hydrogen 3.173 N/A PHE 128.A N ASN 124.A O no hydrogen 2.997 N/A SER 130.A OG GLU 133.A OE2 no hydrogen 3.025 N/A GLU 133.A N SER 130.A OG no hydrogen 3.191 N/A ALA 134.A N SER 130.A O no hydrogen 3.201 N/A ALA 134.A N ILE 131.A O no hydrogen 3.040 N/A VAL 135.A N ILE 131.A O no hydrogen 3.118 N/A LYS 137.A N ALA 134.A O no hydrogen 3.172 N/A LYS 137.A NZ GLU 133.A O no hydrogen 3.052 N/A GLY 140.A N LYS 137.A O no hydrogen 3.066 N/A ALA 142.A N HIS 122.A O no hydrogen 3.073 N/A ILE 143.A N THR 210.A O no hydrogen 2.876 N/A ILE 144.A N LEU 120.A O no hydrogen 2.965 N/A ALA 145.A N ILE 212.A O no hydrogen 2.778 N/A LEU 146.A N LEU 118.A O no hydrogen 3.039 N/A VAL 148.A N MET 116.A O no hydrogen 2.919 N/A GLN 149.A N.A LEU 218.A O no hydrogen 2.872 N/A GLN 149.A N.B LEU 218.A O no hydrogen 2.814 N/A GLY 151.A N ILE 220.A O no hydrogen 2.709 N/A HIS 154.A N GLN 224.A OE1 no hydrogen 2.970 N/A HIS 154.A NE2 THR 183.A O no hydrogen 2.759 N/A LEU 157.A N HIS 154.A ND1 no hydrogen 2.923 N/A LYS 158.A N VAL 155.A O no hydrogen 3.023 N/A LYS 158.A NZ GLU 162.A OE2.A no hydrogen 2.747 N/A VAL 160.A N LEU 157.A O no hydrogen 2.830 N/A THR 161.A N LEU 157.A O no hydrogen 2.811 N/A THR 161.A OG1 LEU 157.A O no hydrogen 3.337 N/A GLU 162.A N.A LYS 158.A O no hydrogen 2.974 N/A GLU 162.A N.B LYS 158.A O no hydrogen 2.936 N/A ILE 163.A N VAL 160.A O no hydrogen 3.044 N/A LEU 164.A N THR 161.A O no hydrogen 3.254 N/A ASP 166.A N ILE 163.A O no hydrogen 2.838 N/A ILE 167.A N LEU 164.A O no hydrogen 3.039 N/A GLN 168.A NE2 ARG 230.A O.A no hydrogen 3.028 N/A GLN 168.A NE2 ARG 230.A O.B no hydrogen 2.848 N/A LYS 170.A N HIS 234.A O no hydrogen 3.065 N/A GLY 171.A N ASN 62.A O no hydrogen 2.849 N/A LYS 172.A N TYR 169.A O no hydrogen 3.300 N/A SER 173.A OG THR 61.A OG1.A no hydrogen 2.661 N/A LYS 174.A N VAL 60.A O no hydrogen 2.737 N/A ILE 176.A N CYS 58.A O.A no hydrogen 3.013 N/A ILE 176.A N CYS 58.A O.B no hydrogen 3.447 N/A PHE 179.A N CYS 55.A O no hydrogen 2.947 N/A ASN 182.A N.A ASN 180.A OD1 no hydrogen 3.034 N/A ASN 182.A N.B ASN 180.A OD1 no hydrogen 3.033 N/A ASN 182.A ND2.A TYR 52.A O no hydrogen 2.706 N/A ASN 182.A ND2.A ASN 180.A OD1 no hydrogen 3.354 N/A THR 183.A N ASN 180.A O no hydrogen 3.102 N/A THR 183.A OG1 ASN 180.A O no hydrogen 2.808 N/A LEU 184.A N PRO 181.A O no hydrogen 2.937 N/A LEU 185.A N ASN 182.A O.A no hydrogen 3.117 N/A LEU 185.A N ASN 182.A O.B no hydrogen 3.419 N/A LEU 189.A N ASP 187.A OD2 no hydrogen 2.769 N/A LEU 190.A N ASP 187.A O no hydrogen 2.728 N/A ARG 191.A NE PRO 186.A O no hydrogen 2.721 N/A ARG 191.A NH2 PRO 186.A O no hydrogen 2.921 N/A TRP 194.A N LEU 213.A O no hydrogen 2.938 N/A VAL 195.A N.A ARG 264.A O no hydrogen 2.828 N/A VAL 195.A N.B ARG 264.A O no hydrogen 2.799 N/A TYR 196.A N TRP 211.A O no hydrogen 3.136 N/A TYR 196.A OH SER 28.A OG no hydrogen 2.741 N/A TYR 196.A OH HIS 107.A NE2 no hydrogen 2.660 N/A GLY 198.A N VAL 209.A O no hydrogen 2.810 N/A SER 199.A N SER 28.A OG no hydrogen 2.943 N/A SER 199.A OG LEU 200.A O no hydrogen 2.807 N/A LEU 200.A N SER 206.A O no hydrogen 2.957 N/A THR 201.A OG1 GLU 106.A OE1 no hydrogen 2.448 N/A THR 201.A OG1 GLU 106.A OE2 no hydrogen 3.434 N/A CYS 205.A N ILE 202.A O no hydrogen 2.784 N/A SER 206.A OG ASP 21.A OD2 no hydrogen 3.050 N/A VAL 209.A N GLY 198.A O no hydrogen 3.142 N/A THR 210.A N ILE 141.A O no hydrogen 3.008 N/A THR 210.A OG1 GLU 197.A OE1 no hydrogen 2.774 N/A THR 210.A OG1 GLU 197.A OE2 no hydrogen 3.508 N/A TRP 211.A N TYR 196.A O no hydrogen 2.865 N/A TRP 211.A NE1 SER 199.A O no hydrogen 2.969 N/A ILE 212.A N ILE 143.A O no hydrogen 2.884 N/A LEU 213.A N TRP 194.A O no hydrogen 2.888 N/A PHE 214.A N ALA 145.A O no hydrogen 3.119 N/A ARG 215.A N ASP 192.A O no hydrogen 2.998 N/A ARG 215.A NH1 ASP 192.A OD2 no hydrogen 3.109 N/A LEU 218.A N PHE 147.A O no hydrogen 2.874 N/A THR 219.A OG1 LYS 152.A O no hydrogen 3.357 N/A ILE 220.A N GLN 149.A O.A no hydrogen 3.106 N/A ILE 220.A N GLN 149.A O.B no hydrogen 2.987 N/A SER 221.A N GLN 224.A OE1 no hydrogen 2.993 N/A SER 221.A OG GLN 224.A OE1 no hydrogen 3.493 N/A GLN 222.A NE2 GLU 226.A OE2 no hydrogen 3.024 N/A GLN 224.A N SER 221.A OG no hydrogen 3.065 N/A GLN 224.A NE2 HIS 154.A O no hydrogen 2.940 N/A GLN 224.A NE2 THR 161.A OG1 no hydrogen 3.320 N/A ILE 225.A N SER 221.A O no hydrogen 3.061 N/A GLU 226.A N GLN 222.A O no hydrogen 2.843 N/A GLU 227.A N.A LEU 223.A O no hydrogen 3.037 N/A GLU 227.A N.B LEU 223.A O no hydrogen 3.064 N/A GLU 227.A N.B GLN 224.A O no hydrogen 3.166 N/A PHE 228.A N GLN 224.A O no hydrogen 3.412 N/A ARG 229.A N ILE 225.A O no hydrogen 3.055 N/A ARG 229.A NE GLY 98.A O no hydrogen 2.881 N/A ARG 229.A NH1 ASN 101.A OD1 no hydrogen 3.211 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 2.973 N/A ARG 229.A NH2 ASN 101.A OD1 no hydrogen 2.605 N/A ARG 230.A N.A GLU 227.A O.A no hydrogen 3.224 N/A ARG 230.A N.B GLU 227.A O.A no hydrogen 3.223 N/A ARG 230.A NH1.B GLU 226.A OE1 no hydrogen 2.544 N/A LEU 231.A N PHE 228.A O no hydrogen 3.230 N/A ARG 232.A N.A GLN 168.A O no hydrogen 2.850 N/A ARG 232.A N.B GLN 168.A O no hydrogen 2.844 N/A ARG 232.A NH1.A ARG 230.A O.A no hydrogen 2.677 N/A ARG 232.A NH1.A ARG 230.A O.B no hydrogen 2.919 N/A THR 233.A N GLY 246.A O no hydrogen 3.012 N/A THR 233.A OG1 HIS 234.A ND1 no hydrogen 2.743 N/A ALA 238.A N VAL 235.A O no hydrogen 3.216 N/A CYS 244.A N VAL 241.A O no hydrogen 2.981 N/A CYS 244.A SG GLU 11.A O no hydrogen 3.971 N/A CYS 244.A SG GLU 242.A O no hydrogen 3.883 N/A ASP 245.A N GLU 10.A OE1 no hydrogen 2.906 N/A ILE 247.A N ASP 245.A OD1 no hydrogen 3.027 N/A LEU 248.A N LEU 231.A O no hydrogen 2.859 N/A ASN 251.A N TRP 97.A O no hydrogen 3.329 N/A ASN 251.A ND2 HIS 65.A O no hydrogen 3.078 N/A ASN 251.A ND2 PHE 95.A O no hydrogen 3.286 N/A ARG 253.A N GLU 106.A OE2 no hydrogen 2.909 N/A ARG 253.A NH1 GLN 27.A OE1 no hydrogen 2.825 N/A ARG 253.A NH1 SER 28.A O no hydrogen 2.945 N/A ARG 253.A NH2 ALA 22.A O no hydrogen 3.551 N/A ARG 253.A NH2 GLN 27.A OE1 no hydrogen 2.970 N/A GLN 256.A N PRO 29.A O no hydrogen 2.803 N/A GLN 256.A NE2 PRO 254.A O no hydrogen 2.912 N/A SER 259.A OG GLU 25.A O no hydrogen 2.873 N/A ARG 261.A N LEU 258.A O no hydrogen 3.226 N/A ARG 261.A NE LEU 258.A O no hydrogen 2.920 N/A ARG 261.A NH1 GLN 27.A O no hydrogen 3.031 N/A ARG 261.A NH1 GLU 197.A O no hydrogen 2.910 N/A ARG 261.A NH2 GLN 27.A O no hydrogen 2.869 N/A ARG 261.A NH2 PRO 257.A O no hydrogen 2.805 N/A ARG 264.A N VAL 195.A O.A no hydrogen 2.965 N/A ARG 264.A N VAL 195.A O.B no hydrogen 2.928 N/A ARG 264.A NH1 ASP 40.A OD2 no hydrogen 2.826 N/A ALA 265.A N ARG 38.A O no hydrogen 2.912 N/A ALA 266.A N TYR 193.A O no hydrogen 2.994 N/A