Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6kyu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N LEU 101.A O no hydrogen 2.865 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.673 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.854 N/A LEU 5.A N CYS 99.A O no hydrogen 2.890 N/A ARG 6.A N TYR 27.A O no hydrogen 2.939 N/A ARG 6.A NH1 LEU 5.A O no hydrogen 3.419 N/A ARG 6.A NH1 CYS 99.A O no hydrogen 3.336 N/A ARG 6.A NH1 ASP 100.A OD1 no hydrogen 2.623 N/A ARG 6.A NH2 ASP 100.A OD1 no hydrogen 2.942 N/A ARG 6.A NH2 ASP 100.A OD2 no hydrogen 3.309 N/A TYR 7.A N TYR 97.A O no hydrogen 2.828 N/A PHE 8.A N VAL 25.A O no hydrogen 2.927 N/A ASP 9.A N LEU 95.A O no hydrogen 2.913 N/A THR 10.A N VAL 23.A O no hydrogen 2.924 N/A GLY 11.A N TRP 93.A O no hydrogen 2.855 N/A VAL 12.A N ARG 21.A O no hydrogen 3.027 N/A SER 13.A N HIS 91.A O no hydrogen 3.025 N/A SER 13.A OG GLY 89.A O no hydrogen 2.628 N/A SER 13.A OG HIS 91.A O no hydrogen 3.560 N/A SER 16.A N VAL 19.A O no hydrogen 3.110 N/A VAL 19.A N SER 16.A O no hydrogen 2.841 N/A ARG 21.A NH2 SER 13.A O no hydrogen 3.386 N/A PHE 22.A N SER 38.A OG no hydrogen 3.199 N/A VAL 23.A N THR 10.A O no hydrogen 2.944 N/A SER 24.A N TYR 36.A O no hydrogen 2.932 N/A SER 24.A OG ASP 9.A OD1 no hydrogen 2.533 N/A VAL 25.A N PHE 8.A O no hydrogen 2.965 N/A GLY 26.A N ASP 34.A O no hydrogen 3.382 N/A TYR 27.A N ARG 6.A O no hydrogen 2.840 N/A VAL 28.A N HIS 31.A O no hydrogen 2.915 N/A ASP 29.A N SER 4.A O no hydrogen 2.830 N/A HIS 31.A N VAL 28.A O no hydrogen 2.810 N/A HIS 31.A NE2 TYR 206.A OH no hydrogen 2.883 N/A ILE 33.A N GLY 26.A O no hydrogen 2.832 N/A HIS 35.A N GLU 44.A O no hydrogen 2.934 N/A HIS 35.A NE2 ASP 37.A OD2 no hydrogen 2.864 N/A TYR 36.A N SER 24.A O no hydrogen 2.807 N/A TYR 36.A OH GLU 70.A OE1 no hydrogen 2.585 N/A SER 38.A N PHE 22.A O no hydrogen 2.914 N/A SER 38.A OG PHE 22.A O no hydrogen 3.451 N/A GLU 39.A N ASP 37.A OD1 no hydrogen 2.783 N/A THR 40.A N ASP 37.A OD1 no hydrogen 2.880 N/A THR 40.A OG1 ASP 37.A O no hydrogen 3.324 N/A THR 40.A OG1 ARG 42.A O no hydrogen 3.125 N/A GLN 41.A N ASP 37.A O no hydrogen 2.883 N/A GLN 41.A NE2 SER 38.A O no hydrogen 2.968 N/A GLN 41.A NE2 GLU 70.A OE1 no hydrogen 3.027 N/A GLN 41.A NE2 GLU 70.A OE2 no hydrogen 3.303 N/A ARG 42.A N THR 40.A OG1 no hydrogen 3.380 N/A THR 43.A N THR 63.A OG1 no hydrogen 2.916 N/A GLU 44.A N HIS 35.A O no hydrogen 2.929 N/A ARG 46.A N ILE 33.A O no hydrogen 2.887 N/A ARG 46.A NH1 PRO 45.A O no hydrogen 3.300 N/A PHE 50.A N ALA 47.A O no hydrogen 2.969 N/A ALA 51.A N ALA 47.A O no hydrogen 2.946 N/A ALA 52.A N ASP 48.A O no hydrogen 2.863 N/A ASN 53.A N PHE 50.A O no hydrogen 3.047 N/A ASN 53.A ND2 TRP 49.A O no hydrogen 2.789 N/A THR 54.A N ALA 51.A O no hydrogen 3.354 N/A THR 54.A OG1 PHE 50.A O no hydrogen 2.881 N/A THR 54.A OG1 ALA 51.A O no hydrogen 3.363 N/A GLN 56.A NE2 GLN 56.A O no hydrogen 3.393 N/A GLN 56.A NE2 ASP 60.A OD1 no hydrogen 2.958 N/A TYR 58.A N ASP 55.A OD1 no hydrogen 3.041 N/A TYR 58.A OH TYR 169.A OH no hydrogen 2.843 N/A TRP 59.A N ASP 55.A O no hydrogen 3.187 N/A ASP 60.A N GLN 56.A O no hydrogen 2.853 N/A ARG 61.A N GLN 57.A O no hydrogen 3.021 N/A GLN 62.A N TYR 58.A O no hydrogen 3.045 N/A THR 63.A N TRP 59.A O no hydrogen 2.902 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.902 N/A GLU 64.A N ASP 60.A O no hydrogen 2.928 N/A ILE 65.A N ARG 61.A O no hydrogen 3.019 N/A SER 66.A N GLN 62.A O no hydrogen 2.889 N/A SER 66.A OG GLN 62.A O no hydrogen 3.033 N/A ARG 67.A N THR 63.A O no hydrogen 2.857 N/A ARG 67.A NE GLN 41.A O no hydrogen 2.932 N/A ARG 67.A NH1 GLN 41.A O no hydrogen 2.916 N/A GLY 68.A N GLU 64.A O no hydrogen 3.102 N/A ALA 69.A N ILE 65.A O no hydrogen 2.919 N/A GLU 70.A N SER 66.A O no hydrogen 2.859 N/A GLN 71.A N ARG 67.A O no hydrogen 3.173 N/A ILE 72.A N GLY 68.A O no hydrogen 3.063 N/A PHE 73.A N ALA 69.A O no hydrogen 2.755 N/A ARG 74.A N GLU 70.A O no hydrogen 3.219 N/A LEU 75.A N GLN 71.A O no hydrogen 3.296 N/A ASP 76.A N ILE 72.A O no hydrogen 2.815 N/A LEU 77.A N PHE 73.A O no hydrogen 2.918 N/A GLU 78.A N ARG 74.A O no hydrogen 3.476 N/A THR 79.A N LEU 75.A O no hydrogen 2.937 N/A THR 79.A OG1 LEU 75.A O no hydrogen 3.180 N/A LEU 80.A N ASP 76.A O no hydrogen 2.803 N/A ARG 81.A N LEU 77.A O no hydrogen 2.994 N/A ARG 81.A NE GLU 78.A OE1 no hydrogen 2.989 N/A ARG 81.A NH1 GLN 86.A O no hydrogen 2.896 N/A ARG 81.A NH2 GLU 78.A OE2 no hydrogen 2.873 N/A GLU 82.A N GLU 78.A O no hydrogen 3.092 N/A ARG 83.A N THR 79.A O no hydrogen 2.780 N/A ARG 83.A NH1 GLY 136.A O no hydrogen 2.888 N/A ARG 83.A NH1 THR 140.A OG1 no hydrogen 2.925 N/A TYR 84.A N LEU 80.A O no hydrogen 3.090 N/A TYR 84.A OH ASP 134.A OD2 no hydrogen 2.737 N/A ASN 85.A N GLU 82.A O no hydrogen 3.057 N/A GLN 86.A N ARG 81.A O no hydrogen 2.947 N/A GLN 86.A NE2 GLU 116.A OE1 no hydrogen 3.063 N/A HIS 91.A N SER 13.A OG no hydrogen 2.878 N/A HIS 91.A ND1 GLU 116.A OE1 no hydrogen 2.650 N/A HIS 91.A NE2 SER 87.A O no hydrogen 2.920 N/A THR 92.A N GLU 116.A OE2 no hydrogen 3.076 N/A TRP 93.A N GLY 11.A O no hydrogen 2.890 N/A TRP 93.A NE1 ASP 76.A OD2 no hydrogen 3.122 N/A GLN 94.A N GLY 114.A O no hydrogen 2.907 N/A GLN 94.A NE2 THR 10.A OG1 no hydrogen 3.335 N/A LEU 95.A N ASP 9.A O no hydrogen 2.849 N/A MET 96.A N GLN 112.A O no hydrogen 2.897 N/A TYR 97.A N TYR 7.A O no hydrogen 3.019 N/A GLY 98.A N PHE 110.A O no hydrogen 3.018 N/A CYS 99.A N LEU 5.A O no hydrogen 2.888 N/A ASP 100.A N ARG 108.A O no hydrogen 2.960 N/A LEU 101.A N HIS 3.A O no hydrogen 2.847 N/A LEU 102.A N SER 106.A O no hydrogen 2.808 N/A GLU 103.A N GLU 103.A OE2 no hydrogen 2.731 N/A GLY 105.A N LEU 102.A O no hydrogen 2.985 N/A SER 106.A N ASP 104.A OD1 no hydrogen 2.910 N/A SER 106.A OG ASP 104.A OD1 no hydrogen 2.650 N/A SER 106.A OG ASP 104.A OD2 no hydrogen 3.263 N/A ARG 108.A N ASP 100.A O no hydrogen 3.024 N/A ARG 108.A NH1 SER 106.A OG no hydrogen 2.866 N/A ARG 108.A NH1 THR 107.A O no hydrogen 2.969 N/A PHE 110.A N GLY 98.A O no hydrogen 2.832 N/A ARG 111.A NE TYR 113.A OH no hydrogen 3.004 N/A ARG 111.A NH2 TYR 113.A OH no hydrogen 2.992 N/A GLN 112.A N MET 96.A O no hydrogen 2.941 N/A TYR 113.A N VAL 121.A O no hydrogen 2.876 N/A GLY 114.A N GLN 94.A O no hydrogen 2.849 N/A TYR 115.A N ARG 118.A O no hydrogen 2.905 N/A TYR 115.A OH GLN 86.A OE1 no hydrogen 2.580 N/A GLU 116.A N THR 92.A O no hydrogen 2.908 N/A ARG 118.A N TYR 115.A O no hydrogen 3.020 N/A PHE 120.A N TYR 113.A O no hydrogen 2.865 N/A ALA 122.A N THR 131.A O no hydrogen 2.976 N/A PHE 123.A N ARG 111.A O no hydrogen 2.822 N/A ASP 124.A N THR 129.A O no hydrogen 2.823 N/A LYS 125.A NZ ASP 126.A OD1 no hydrogen 2.584 N/A LYS 125.A NZ GLU 159.A OE2 no hydrogen 2.885 N/A ASP 126.A N ASP 124.A OD1 no hydrogen 3.031 N/A THR 127.A N ASP 124.A O no hydrogen 3.263 N/A THR 129.A N ASP 124.A O no hydrogen 3.317 N/A PHE 130.A N GLU 145.A OE1 no hydrogen 3.018 N/A THR 131.A N ALA 122.A O no hydrogen 2.836 N/A ALA 133.A N PHE 120.A O no hydrogen 2.919 N/A GLY 136.A N ASP 134.A OD2 no hydrogen 3.011 N/A ALA 137.A N ASP 134.A O no hydrogen 2.924 N/A GLN 138.A N ALA 135.A O no hydrogen 3.176 N/A LYS 141.A N ALA 137.A O no hydrogen 2.887 N/A LYS 141.A NZ PHE 130.A O no hydrogen 2.742 N/A LYS 141.A NZ GLU 145.A OE1 no hydrogen 2.660 N/A LYS 141.A NZ GLU 145.A OE2 no hydrogen 3.381 N/A ARG 142.A N GLN 138.A O no hydrogen 3.051 N/A LYS 143.A N ILE 139.A O no hydrogen 3.077 N/A TRP 144.A N THR 140.A O no hydrogen 2.841 N/A GLU 145.A N LYS 141.A O no hydrogen 3.009 N/A GLN 146.A N LYS 143.A O no hydrogen 3.330 N/A GLN 146.A NE2 ARG 142.A O no hydrogen 2.944 N/A GLU 147.A N TRP 144.A O no hydrogen 3.176 N/A ALA 151.A N GLU 147.A O no hydrogen 3.075 N/A GLU 152.A N GLY 148.A O no hydrogen 2.950 N/A ARG 153.A N THR 149.A O no hydrogen 3.004 N/A TRP 154.A N ASP 150.A O no hydrogen 3.045 N/A LYS 155.A N ALA 151.A O no hydrogen 2.859 N/A LYS 155.A NZ LYS 125.A O no hydrogen 2.874 N/A LYS 155.A NZ GLU 159.A OE2 no hydrogen 2.946 N/A PHE 156.A N GLU 152.A O no hydrogen 2.937 N/A TYR 157.A N ARG 153.A O no hydrogen 3.050 N/A LEU 158.A N TRP 154.A O no hydrogen 2.852 N/A GLU 159.A N LYS 155.A O no hydrogen 3.000 N/A ASN 160.A N PHE 156.A O no hydrogen 2.970 N/A ASN 160.A ND2 PHE 156.A O no hydrogen 3.155 N/A CYS 162.A N TYR 157.A O no hydrogen 2.781 N/A GLU 164.A N ASN 160.A O no hydrogen 2.860 N/A GLY 165.A N THR 161.A O no hydrogen 3.047 N/A LEU 166.A N CYS 162.A O no hydrogen 2.917 N/A ARG 167.A N ILE 163.A O no hydrogen 2.897 N/A LYS 168.A N GLU 164.A O no hydrogen 3.302 N/A TYR 169.A N GLY 165.A O no hydrogen 2.880 N/A VAL 170.A N LEU 166.A O no hydrogen 2.934 N/A SER 171.A N ARG 167.A O no hydrogen 3.322 N/A SER 171.A OG LYS 168.A O no hydrogen 2.423 N/A TYR 172.A N LYS 168.A O no hydrogen 3.000 N/A GLY 173.A N TYR 169.A O no hydrogen 2.988 N/A LYS 174.A N SER 171.A O no hydrogen 3.336 N/A LYS 174.A NZ GLU 178.A OE1 no hydrogen 3.440 N/A LYS 174.A NZ GLU 178.A OE2 no hydrogen 3.322 N/A VAL 176.A N GLY 173.A O no hydrogen 2.905 N/A LEU 177.A N GLY 173.A O no hydrogen 2.829 N/A GLU 178.A N LYS 174.A O no hydrogen 3.004 N/A ARG 179.A N VAL 176.A O no hydrogen 3.379 N/A ARG 179.A NH1 VAL 176.A O no hydrogen 3.129 N/A GLU 181.A N TYR 206.A O no hydrogen 2.847 N/A ARG 182.A NE SER 262.A O no hydrogen 3.405 N/A GLU 184.A N HIS 203.A O no hydrogen 2.898 N/A GLN 186.A N ARG 201.A O no hydrogen 2.932 N/A SER 188.A N SER 199.A O no hydrogen 2.795 N/A MET 190.A N THR 197.A O no hydrogen 2.904 N/A ALA 192.A N ILE 195.A O no hydrogen 3.090 N/A LEU 196.A N VAL 246.A O no hydrogen 2.912 N/A THR 197.A N MET 190.A O no hydrogen 2.834 N/A THR 197.A OG1 ASP 245.A OD1 no hydrogen 2.799 N/A LEU 198.A N ILE 244.A O no hydrogen 2.846 N/A SER 199.A N SER 188.A O no hydrogen 2.875 N/A CYS 200.A N ALA 242.A O no hydrogen 2.863 N/A ARG 201.A N GLN 186.A O no hydrogen 2.949 N/A ARG 201.A NH1 HIS 239.A NE2 no hydrogen 2.900 N/A ALA 202.A N ILE 240.A O no hydrogen 2.908 N/A HIS 203.A N GLU 184.A O no hydrogen 2.874 N/A GLY 204.A N TYR 238.A O no hydrogen 2.838 N/A PHE 205.A N TYR 238.A O no hydrogen 3.275 N/A TYR 206.A N GLU 181.A O no hydrogen 3.019 N/A TYR 206.A OH HIS 31.A NE2 no hydrogen 2.883 N/A TYR 206.A OH LEU 177.A O no hydrogen 3.169 N/A ARG 208.A NH2 THR 230.A O no hydrogen 3.162 N/A SER 211.A N GLU 259.A O no hydrogen 2.954 N/A SER 213.A N ARG 257.A O no hydrogen 2.970 N/A TRP 214.A NE1 ALA 242.A O no hydrogen 3.059 N/A LEU 215.A N GLN 255.A O no hydrogen 2.841 N/A LYS 216.A N MET 219.A O no hydrogen 2.884 N/A LYS 216.A NZ GLU 250.A OE1 no hydrogen 3.122 N/A ASP 217.A N LYS 253.A O no hydrogen 2.835 N/A MET 219.A N LYS 216.A O no hydrogen 2.908 N/A GLN 221.A N TRP 214.A O no hydrogen 2.866 N/A GLU 224.A N GLN 221.A O no hydrogen 3.287 N/A THR 225.A N GLU 222.A O no hydrogen 3.245 N/A THR 225.A OG1 GLN 221.A O no hydrogen 2.613 N/A LYS 226.A N THR 243.A O no hydrogen 2.953 N/A ARG 227.A NE ILE 212.A O no hydrogen 3.118 N/A ARG 227.A NH1 GLU 222.A OE1 no hydrogen 3.479 N/A ARG 227.A NH2 ILE 212.A O no hydrogen 2.815 N/A ARG 227.A NH2 GLU 222.A OE1 no hydrogen 2.754 N/A GLY 228.A N TRP 241.A O no hydrogen 2.967 N/A VAL 231.A N HIS 239.A O no hydrogen 3.053 N/A ASN 233.A N THR 237.A O no hydrogen 2.761 N/A ASN 233.A ND2 THR 237.A OG1 no hydrogen 2.941 N/A GLY 236.A N ASN 233.A O no hydrogen 3.120 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.083 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 2.706 N/A TYR 238.A N PHE 205.A O no hydrogen 2.832 N/A HIS 239.A N VAL 231.A O no hydrogen 2.835 N/A ILE 240.A N ALA 202.A O no hydrogen 3.091 N/A ALA 242.A N CYS 200.A O no hydrogen 2.928 N/A THR 243.A N LYS 226.A O no hydrogen 2.775 N/A ILE 244.A N LEU 198.A O no hydrogen 2.967 N/A VAL 246.A N LEU 196.A O no hydrogen 2.860 N/A GLU 250.A N LEU 247.A O no hydrogen 2.848 N/A ARG 251.A N PRO 248.A O no hydrogen 3.248 N/A ARG 251.A NE PRO 248.A O no hydrogen 2.964 N/A ARG 251.A NH2 GLU 191.A OE2 no hydrogen 3.217 N/A ARG 251.A NH2 PRO 248.A O no hydrogen 3.501 N/A LYS 253.A N GLU 250.A O no hydrogen 2.940 N/A TYR 254.A N ARG 251.A O no hydrogen 3.296 N/A GLN 255.A N LEU 215.A O no hydrogen 3.052 N/A GLN 255.A NE2 SER 270.A OG no hydrogen 2.968 N/A CYS 256.A N PHE 269.A O no hydrogen 2.820 N/A CYS 256.A SG SER 213.A O no hydrogen 4.004 N/A ARG 257.A N SER 213.A O no hydrogen 2.808 N/A VAL 258.A N GLY 267.A O no hydrogen 2.824 N/A GLU 259.A N SER 211.A O no hydrogen 2.897 N/A HIS 260.A ND1 SER 262.A OG no hydrogen 2.794 N/A HIS 260.A NE2 PRO 207.A O no hydrogen 2.829 N/A SER 262.A N HIS 260.A ND1 no hydrogen 3.147 N/A SER 262.A OG HIS 260.A ND1 no hydrogen 2.794 N/A LEU 263.A N HIS 260.A O no hydrogen 2.972 N/A GLY 267.A N VAL 258.A O no hydrogen 2.823 N/A PHE 269.A N CYS 256.A O no hydrogen 2.888 N/A