Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kyn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N SER 105.A OG no hydrogen 3.375 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.641 N/A SER 4.A N ASP 29.A OD1 no hydrogen 3.113 N/A MET 5.A N CYS 101.A O no hydrogen 3.209 N/A ARG 6.A N TYR 27.A O no hydrogen 2.984 N/A ARG 6.A NH1 ASP 102.A OD1 no hydrogen 2.797 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.933 N/A TYR 7.A N ILE 99.A O no hydrogen 2.771 N/A PHE 8.A N MET 25.A O no hydrogen 2.785 N/A SER 9.A N TRP 97.A O no hydrogen 2.962 N/A SER 9.A OG HIS 70.A NE2 no hydrogen 3.404 N/A SER 9.A OG ASP 74.A OD2 no hydrogen 3.541 N/A ALA 10.A N ILE 23.A O no hydrogen 3.067 N/A ALA 11.A N LEU 95.A O no hydrogen 2.849 N/A VAL 12.A N ARG 21.A O no hydrogen 2.883 N/A SER 13.A N HIS 93.A O no hydrogen 2.960 N/A SER 13.A OG HIS 93.A O no hydrogen 3.470 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.947 N/A ARG 14.A NH1 ASP 39.A OD1 no hydrogen 3.525 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 3.330 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.139 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.991 N/A ARG 17.A N ARG 14.A O no hydrogen 3.037 N/A ARG 21.A N VAL 12.A O no hydrogen 3.025 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.565 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 3.254 N/A PHE 22.A N SER 38.A OG no hydrogen 2.878 N/A ILE 23.A N ALA 10.A O no hydrogen 3.033 N/A ALA 24.A N PHE 36.A O no hydrogen 2.970 N/A MET 25.A N PHE 8.A O no hydrogen 3.117 N/A GLY 26.A N VAL 34.A O no hydrogen 3.159 N/A TYR 27.A N ARG 6.A O no hydrogen 2.739 N/A VAL 28.A N THR 31.A O no hydrogen 2.930 N/A ASP 29.A N SER 4.A O no hydrogen 2.844 N/A THR 31.A N VAL 28.A O no hydrogen 2.906 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 3.073 N/A PHE 33.A N GLY 26.A O no hydrogen 3.004 N/A ARG 35.A N GLU 46.A O no hydrogen 2.933 N/A PHE 36.A N ALA 24.A O no hydrogen 2.837 N/A SER 38.A N PHE 22.A O no hydrogen 2.933 N/A SER 38.A OG PHE 22.A O no hydrogen 3.296 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.976 N/A SER 40.A N ASP 37.A O no hydrogen 2.966 N/A SER 40.A OG ASP 37.A O no hydrogen 2.826 N/A ARG 44.A NH2 SER 42.A OG no hydrogen 3.110 N/A MET 45.A N THR 64.A OG1 no hydrogen 3.074 N/A GLU 46.A N ARG 35.A O no hydrogen 2.719 N/A ARG 48.A N PHE 33.A O no hydrogen 2.794 N/A ARG 48.A NH2 GLU 46.A OE1 no hydrogen 3.281 N/A ARG 48.A NH2 PRO 47.A O no hydrogen 3.124 N/A VAL 52.A N ALA 49.A O no hydrogen 3.414 N/A GLU 53.A N PRO 50.A O no hydrogen 3.267 N/A GLU 55.A N VAL 52.A O no hydrogen 3.052 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.907 N/A TRP 60.A N GLY 56.A O no hydrogen 3.459 N/A TRP 60.A NE1 GLU 55.A O no hydrogen 2.994 N/A GLU 61.A N PRO 57.A O no hydrogen 2.880 N/A GLU 62.A N GLU 58.A O no hydrogen 2.952 N/A GLU 63.A N TYR 59.A O no hydrogen 2.824 N/A THR 64.A N TRP 60.A O no hydrogen 2.927 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.932 N/A ARG 65.A N GLU 61.A O no hydrogen 2.909 N/A ARG 65.A NH1 ASN 66.A OD1 no hydrogen 2.531 N/A ASN 66.A N GLU 62.A O no hydrogen 2.861 N/A THR 67.A N GLU 63.A O no hydrogen 3.080 N/A THR 67.A OG1 GLU 63.A O no hydrogen 2.631 N/A LYS 68.A N THR 64.A O no hydrogen 3.117 N/A ALA 69.A N ARG 65.A O no hydrogen 3.143 N/A HIS 70.A N ASN 66.A O no hydrogen 2.981 N/A HIS 70.A NE2 ASP 74.A OD2 no hydrogen 2.818 N/A ALA 71.A N THR 67.A O no hydrogen 2.885 N/A GLN 72.A N LYS 68.A O no hydrogen 3.111 N/A GLN 72.A NE2 GLU 19.A OE2 no hydrogen 3.530 N/A THR 73.A N ALA 69.A O no hydrogen 2.978 N/A THR 73.A OG1 ALA 69.A O no hydrogen 2.878 N/A ASP 74.A N HIS 70.A O no hydrogen 2.757 N/A ARG 75.A N ALA 71.A O no hydrogen 2.905 N/A ARG 75.A NE PRO 20.A O no hydrogen 2.956 N/A ARG 75.A NH2 PRO 20.A O no hydrogen 3.261 N/A MET 76.A N GLN 72.A O no hydrogen 3.078 N/A ASN 77.A N THR 73.A O no hydrogen 2.906 N/A ASN 77.A ND2 ASP 74.A OD1 no hydrogen 3.020 N/A LEU 78.A N ASP 74.A O no hydrogen 2.929 N/A GLN 79.A N ARG 75.A O no hydrogen 3.331 N/A THR 80.A N MET 76.A O no hydrogen 2.936 N/A THR 80.A OG1 MET 76.A O no hydrogen 3.073 N/A LEU 81.A N ASN 77.A O no hydrogen 2.867 N/A ARG 82.A N LEU 78.A O no hydrogen 2.994 N/A ARG 82.A NH1 GLN 87.A O no hydrogen 3.207 N/A GLY 83.A N GLN 79.A O no hydrogen 3.222 N/A TYR 84.A N THR 80.A O no hydrogen 3.154 N/A TYR 85.A N LEU 81.A O no hydrogen 3.183 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 2.751 N/A ASN 86.A N GLY 83.A O no hydrogen 2.760 N/A GLN 87.A N ARG 82.A O no hydrogen 2.776 N/A SER 91.A N SER 88.A O no hydrogen 3.244 N/A SER 91.A OG SER 88.A O no hydrogen 2.863 N/A SER 91.A OG HIS 93.A NE2 no hydrogen 2.729 N/A SER 92.A OG SER 13.A O no hydrogen 3.077 N/A HIS 93.A N SER 13.A OG no hydrogen 2.924 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 2.667 N/A HIS 93.A NE2 SER 91.A OG no hydrogen 2.729 N/A THR 94.A N ASP 119.A OD1 no hydrogen 2.940 N/A LEU 95.A N ALA 11.A O no hydrogen 2.872 N/A GLN 96.A N ALA 117.A O no hydrogen 2.761 N/A TRP 97.A N SER 9.A O no hydrogen 2.914 N/A TRP 97.A NE1 GLU 114.A OE2 no hydrogen 3.090 N/A MET 98.A N ARG 115.A O no hydrogen 2.916 N/A ILE 99.A N TYR 7.A O no hydrogen 2.857 N/A GLY 100.A N TYR 113.A O no hydrogen 3.167 N/A CYS 101.A N MET 5.A O no hydrogen 3.066 N/A ASP 102.A N ARG 111.A O no hydrogen 2.756 N/A LEU 103.A N HIS 3.A O no hydrogen 2.921 N/A ILE 110.A N LEU 103.A O no hydrogen 3.237 N/A ARG 111.A N ASP 102.A O no hydrogen 3.393 N/A ARG 115.A N MET 98.A O no hydrogen 2.865 N/A TYR 116.A N LEU 124.A O no hydrogen 2.920 N/A TYR 116.A OH ASP 74.A OD1 no hydrogen 2.651 N/A ALA 117.A N GLN 96.A O no hydrogen 2.826 N/A TYR 118.A N LYS 121.A O no hydrogen 2.857 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.633 N/A ASP 119.A N THR 94.A O no hydrogen 2.854 N/A LYS 121.A N TYR 118.A O no hydrogen 3.161 N/A TYR 123.A N TYR 116.A O no hydrogen 3.037 N/A TYR 123.A OH SER 143.A OG no hydrogen 2.792 N/A ALA 125.A N THR 134.A O no hydrogen 2.850 N/A LEU 126.A N GLU 114.A O no hydrogen 2.791 N/A ASN 127.A N SER 132.A O no hydrogen 2.813 N/A ASN 127.A ND2 THR 134.A OG1 no hydrogen 2.469 N/A LEU 130.A N ASN 127.A O no hydrogen 2.743 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.898 N/A ARG 131.A NH1 ASP 129.A O no hydrogen 2.745 N/A SER 132.A OG ASN 127.A OD1 no hydrogen 3.106 N/A SER 132.A OG ASP 129.A OD1 no hydrogen 2.601 N/A SER 132.A OG ASP 129.A OD2 no hydrogen 2.971 N/A THR 134.A N ALA 125.A O no hydrogen 2.848 N/A ALA 136.A N TYR 123.A O no hydrogen 2.946 N/A ALA 140.A N ASP 137.A OD1 no hydrogen 2.924 N/A GLN 141.A N ASP 137.A O no hydrogen 3.192 N/A ILE 142.A N ALA 139.A O no hydrogen 2.917 N/A SER 143.A OG TYR 123.A OH no hydrogen 2.792 N/A LYS 144.A N ALA 140.A O no hydrogen 2.812 N/A LYS 144.A NZ TRP 133.A O no hydrogen 2.640 N/A ARG 145.A N GLN 141.A O no hydrogen 2.886 N/A LYS 146.A N ILE 142.A O no hydrogen 3.030 N/A CYS 147.A N SER 143.A O no hydrogen 3.004 N/A CYS 147.A SG SER 143.A O no hydrogen 3.295 N/A GLU 148.A N LYS 144.A O no hydrogen 2.869 N/A ALA 149.A N ARG 145.A O no hydrogen 2.940 N/A ALA 150.A N LYS 146.A O no hydrogen 3.061 N/A ASN 151.A N GLU 148.A O no hydrogen 3.114 N/A VAL 152.A N CYS 147.A O no hydrogen 2.968 N/A GLN 155.A N VAL 152.A O no hydrogen 2.851 N/A ARG 156.A N VAL 152.A O no hydrogen 3.120 N/A ARG 156.A NE GLU 114.A OE1 no hydrogen 2.921 N/A ARG 156.A NE GLU 114.A OE2 no hydrogen 3.307 N/A ARG 156.A NH2 GLU 114.A OE2 no hydrogen 2.773 N/A ARG 157.A N ALA 153.A O no hydrogen 2.841 N/A ARG 157.A NH1 LEU 130.A O no hydrogen 3.134 N/A ALA 158.A N GLU 154.A O no hydrogen 3.204 N/A TYR 159.A N GLN 155.A O no hydrogen 3.357 N/A LEU 160.A N ARG 156.A O no hydrogen 2.917 N/A GLU 161.A N ARG 157.A O no hydrogen 2.748 N/A GLY 162.A N ALA 158.A O no hydrogen 2.985 N/A CYS 164.A N TYR 159.A O no hydrogen 2.782 N/A GLU 166.A N GLY 162.A O no hydrogen 3.058 N/A TRP 167.A N THR 163.A O no hydrogen 3.074 N/A LEU 168.A N CYS 164.A O no hydrogen 3.144 N/A HIS 169.A N VAL 165.A O no hydrogen 3.083 N/A ARG 170.A N GLU 166.A O no hydrogen 3.031 N/A TYR 171.A N TRP 167.A O no hydrogen 2.921 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.907 N/A LEU 172.A N LEU 168.A O no hydrogen 2.940 N/A GLU 173.A N HIS 169.A O no hydrogen 3.175 N/A ASN 174.A N ARG 170.A O no hydrogen 2.852 N/A GLY 175.A N TYR 171.A O no hydrogen 2.856 N/A LYS 176.A N GLU 173.A O no hydrogen 3.325 N/A LEU 179.A N GLY 175.A O no hydrogen 2.781 N/A GLN 180.A N LYS 176.A O no hydrogen 2.940 N/A ARG 181.A NE MET 178.A O no hydrogen 2.791 N/A ARG 181.A NH1 ASP 183.A OD2 no hydrogen 3.065 N/A LYS 186.A N LEU 206.A O no hydrogen 2.704 N/A HIS 188.A N TRP 204.A O no hydrogen 3.362 N/A THR 190.A N ARG 202.A O no hydrogen 2.936 N/A THR 190.A OG1 HIS 192.A NE2 no hydrogen 2.837 N/A HIS 192.A N THR 200.A O no hydrogen 2.958 N/A HIS 192.A NE2 THR 190.A OG1 no hydrogen 2.837 N/A VAL 194.A N GLU 198.A O no hydrogen 2.743 N/A TYR 197.A N VAL 194.A O no hydrogen 3.025 N/A GLU 198.A N VAL 194.A O no hydrogen 3.462 N/A ALA 199.A N VAL 249.A O no hydrogen 2.876 N/A THR 200.A N HIS 192.A O no hydrogen 2.995 N/A LEU 201.A N VAL 247.A O no hydrogen 2.714 N/A ARG 202.A N THR 190.A O no hydrogen 3.024 N/A CYS 203.A N ALA 245.A O no hydrogen 2.736 N/A TRP 204.A N HIS 188.A O no hydrogen 2.936 N/A ALA 205.A N LYS 243.A O no hydrogen 2.870 N/A LEU 206.A N LYS 186.A O no hydrogen 2.879 N/A PHE 208.A N PHE 241.A O no hydrogen 3.224 N/A TYR 209.A N ASP 183.A O no hydrogen 2.997 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 3.073 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 3.323 N/A ILE 214.A N GLN 262.A O no hydrogen 3.030 N/A THR 216.A N HIS 260.A O no hydrogen 2.960 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.848 N/A GLN 218.A N THR 258.A O no hydrogen 2.848 N/A GLN 218.A NE2 THR 258.A OG1 no hydrogen 2.675 N/A ASP 220.A N ARG 256.A O no hydrogen 2.893 N/A GLU 222.A N ARG 219.A O no hydrogen 2.905 N/A VAL 228.A N THR 225.A O no hydrogen 3.241 N/A GLU 229.A N ALA 246.A O no hydrogen 2.956 N/A VAL 231.A N TRP 244.A O no hydrogen 3.220 N/A ARG 234.A N GLN 242.A O no hydrogen 2.979 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 2.965 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 3.114 N/A ALA 236.A N THR 240.A O no hydrogen 3.007 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.069 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.607 N/A PHE 241.A N PHE 208.A O no hydrogen 2.708 N/A GLN 242.A N ARG 234.A O no hydrogen 2.864 N/A LYS 243.A N ALA 205.A O no hydrogen 2.989 N/A LYS 243.A NZ VAL 231.A O no hydrogen 2.843 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.736 N/A ALA 245.A N CYS 203.A O no hydrogen 2.921 N/A ALA 246.A N GLU 229.A O no hydrogen 2.826 N/A VAL 247.A N LEU 201.A O no hydrogen 2.766 N/A VAL 249.A N ALA 199.A O no hydrogen 2.677 N/A SER 251.A N TYR 197.A O no hydrogen 2.739 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.687 N/A ARG 256.A N GLU 253.A O no hydrogen 3.242 N/A TYR 257.A N GLU 254.A O no hydrogen 3.145 N/A THR 258.A N GLN 218.A O no hydrogen 2.844 N/A CYS 259.A N LEU 272.A O no hydrogen 2.827 N/A CYS 259.A SG HIS 260.A O no hydrogen 3.932 N/A HIS 260.A N THR 216.A O no hydrogen 2.634 N/A VAL 261.A N LEU 270.A O no hydrogen 2.890 N/A GLN 262.A N ILE 214.A O no hydrogen 2.979 N/A HIS 263.A ND1 GLU 212.A O no hydrogen 3.186 N/A LEU 266.A N HIS 263.A O no hydrogen 2.816 N/A LEU 270.A N VAL 261.A O no hydrogen 2.916 N/A LEU 272.A N CYS 259.A O no hydrogen 2.797 N/A ARG 273.A NH1 GLN 255.A O no hydrogen 3.075 N/A