Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3skm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A OG.B VAL 97.A O no hydrogen 2.910 N/A HIS 3.A N VAL 97.A O no hydrogen 3.063 N/A SER 4.A N.A ASP 29.A OD1 no hydrogen 2.943 N/A SER 4.A N.B ASP 29.A OD1 no hydrogen 2.943 N/A SER 4.A OG.B ASP 96.A OD1 no hydrogen 2.629 N/A MET 5.A N CYS 95.A O no hydrogen 2.939 N/A ARG 6.A N TYR 27.A O no hydrogen 2.970 N/A ARG 6.A NH1 MET 5.A O no hydrogen 2.974 N/A ARG 6.A NH1 CYS 95.A O no hydrogen 3.322 N/A ARG 6.A NH1 ASP 96.A OD1 no hydrogen 3.003 N/A ARG 6.A NH2 ASP 96.A OD1 no hydrogen 2.765 N/A TYR 7.A N TYR 93.A O no hydrogen 2.870 N/A PHE 8.A N VAL 25.A O no hydrogen 2.854 N/A ASP 9.A N SER 91.A O.A no hydrogen 2.854 N/A ASP 9.A N SER 91.A O.B no hydrogen 2.761 N/A THR 10.A N ILE 23.A O.A no hydrogen 2.839 N/A THR 10.A N ILE 23.A O.B no hydrogen 2.934 N/A ALA 11.A N LEU 89.A O no hydrogen 2.777 N/A MET 12.A N ARG 21.A O no hydrogen 2.946 N/A SER 13.A N HIS 87.A O no hydrogen 2.939 N/A SER 13.A OG HIS 87.A O no hydrogen 3.558 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.818 N/A ARG 14.A NH1 ASP 39.A OD2 no hydrogen 2.860 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.025 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 2.878 N/A ARG 14.A NH2 ASP 39.A OD2 no hydrogen 3.429 N/A ARG 17.A N ARG 14.A O no hydrogen 2.839 N/A ARG 21.A N MET 12.A O no hydrogen 3.004 N/A ARG 21.A NE ASP 37.A OD1 no hydrogen 3.304 N/A ARG 21.A NH2 ASP 37.A OD2 no hydrogen 2.950 N/A PHE 22.A N SER 38.A OG no hydrogen 2.858 N/A ILE 23.A N.A THR 10.A O no hydrogen 2.908 N/A ILE 23.A N.B THR 10.A O no hydrogen 2.886 N/A SER 24.A N PHE 36.A O no hydrogen 2.870 N/A SER 24.A OG ASP 9.A OD1 no hydrogen 2.480 N/A VAL 25.A N PHE 8.A O no hydrogen 3.022 N/A GLY 26.A N VAL 34.A O no hydrogen 2.988 N/A TYR 27.A N ARG 6.A O no hydrogen 2.824 N/A VAL 28.A N THR 31.A O no hydrogen 2.922 N/A ASP 29.A N SER 4.A O.A no hydrogen 3.054 N/A ASP 29.A N SER 4.A O.B no hydrogen 2.847 N/A THR 31.A N VAL 28.A O no hydrogen 2.897 N/A THR 31.A OG1 TYR 203.A OH no hydrogen 2.828 N/A PHE 33.A N GLY 26.A O no hydrogen 2.839 N/A PHE 36.A N SER 24.A O no hydrogen 2.868 N/A SER 38.A N PHE 22.A O no hydrogen 2.763 N/A SER 38.A OG PHE 22.A O no hydrogen 3.447 N/A ASP 39.A N ASP 37.A OD1 no hydrogen 2.908 N/A ALA 40.A N ASP 37.A O no hydrogen 3.021 N/A ALA 43.A N PHE 33.A O no hydrogen 2.880 N/A ILE 46.A N ALA 43.A O no hydrogen 2.925 N/A GLU 47.A N ALA 43.A O no hydrogen 3.216 N/A GLU 47.A N PRO 44.A O no hydrogen 2.946 N/A GLU 49.A N ILE 46.A O no hydrogen 3.007 N/A TYR 53.A OH TYR 165.A OH no hydrogen 2.532 N/A TRP 54.A N GLY 50.A O no hydrogen 3.231 N/A ASP 55.A N PRO 51.A O no hydrogen 2.916 N/A ARG 56.A N GLU 52.A O no hydrogen 3.180 N/A ARG 56.A NH1 GLN 59.A OE1.B no hydrogen 3.079 N/A ASN 57.A N TYR 53.A O no hydrogen 2.997 N/A ASN 57.A ND2 TYR 53.A O no hydrogen 2.924 N/A THR 58.A N TRP 54.A O no hydrogen 2.763 N/A THR 58.A OG1 TRP 54.A O no hydrogen 2.940 N/A GLN 59.A N.A ASP 55.A O no hydrogen 2.913 N/A GLN 59.A N.B ASP 55.A O no hydrogen 2.882 N/A ILE 60.A N ARG 56.A O no hydrogen 2.973 N/A PHE 61.A N ASN 57.A O no hydrogen 2.868 N/A LYS 62.A N THR 58.A O no hydrogen 3.018 N/A THR 63.A N.A GLN 59.A O.A no hydrogen 3.157 N/A THR 63.A N.A GLN 59.A O.B no hydrogen 3.113 N/A THR 63.A N.B GLN 59.A O.A no hydrogen 3.168 N/A THR 63.A N.B GLN 59.A O.B no hydrogen 3.124 N/A THR 63.A OG1.A GLN 59.A O.A no hydrogen 3.101 N/A THR 63.A OG1.A GLN 59.A O.B no hydrogen 3.264 N/A THR 63.A OG1.B GLN 59.A O.A no hydrogen 3.070 N/A THR 63.A OG1.B GLN 59.A O.B no hydrogen 3.237 N/A THR 63.A OG1.B ILE 60.A O no hydrogen 3.243 N/A ASN 64.A N ILE 60.A O no hydrogen 2.888 N/A THR 65.A N PHE 61.A O no hydrogen 2.908 N/A THR 65.A OG1 PHE 61.A O no hydrogen 2.902 N/A GLN 66.A N.A LYS 62.A O no hydrogen 3.219 N/A GLN 66.A N.A THR 63.A O.A no hydrogen 3.078 N/A GLN 66.A N.B LYS 62.A O no hydrogen 3.212 N/A THR 67.A N THR 63.A O.A no hydrogen 2.993 N/A THR 67.A N THR 63.A O.B no hydrogen 3.160 N/A THR 67.A OG1 THR 63.A O.A no hydrogen 3.219 N/A THR 67.A OG1 THR 63.A O.B no hydrogen 2.979 N/A ASP 68.A N ASN 64.A O no hydrogen 2.776 N/A ARG 69.A N THR 65.A O no hydrogen 2.965 N/A ARG 69.A NE PRO 20.A O no hydrogen 3.037 N/A ARG 69.A NH2 PRO 20.A O no hydrogen 2.837 N/A GLU 70.A N.A GLN 66.A O.A no hydrogen 3.470 N/A GLU 70.A N.A GLN 66.A O.B no hydrogen 3.046 N/A GLU 70.A N.B GLN 66.A O.B no hydrogen 3.075 N/A SER 71.A N THR 67.A O no hydrogen 2.857 N/A SER 71.A OG THR 67.A O no hydrogen 3.108 N/A LEU 72.A N ASP 68.A O no hydrogen 2.901 N/A ARG 73.A N ARG 69.A O no hydrogen 3.278 N/A ASN 74.A N GLU 70.A O.A no hydrogen 2.958 N/A ASN 74.A N GLU 70.A O.B no hydrogen 3.043 N/A LEU 75.A N SER 71.A O no hydrogen 2.814 N/A ARG 76.A N LEU 72.A O no hydrogen 3.090 N/A ARG 76.A NE GLU 83.A OE1 no hydrogen 2.940 N/A ARG 76.A NE GLU 83.A OE2 no hydrogen 2.847 N/A ARG 76.A NH2 GLU 83.A OE1 no hydrogen 2.881 N/A GLY 77.A N ARG 73.A O no hydrogen 3.360 N/A TYR 78.A N ASN 74.A O no hydrogen 2.914 N/A TYR 79.A N LEU 75.A O no hydrogen 3.197 N/A TYR 79.A OH ASP 131.A OD1 no hydrogen 3.293 N/A TYR 79.A OH ASP 131.A OD2 no hydrogen 2.472 N/A ASN 80.A N GLY 77.A O no hydrogen 3.098 N/A GLN 81.A N ARG 76.A O no hydrogen 2.897 N/A ALA 84.A N SER 82.A OG no hydrogen 3.377 N/A SER 86.A OG.A SER 13.A O no hydrogen 2.757 N/A SER 86.A OG.B SER 13.A O no hydrogen 3.408 N/A HIS 87.A N SER 13.A OG no hydrogen 2.864 N/A HIS 87.A ND1 ASP 113.A OD2 no hydrogen 2.795 N/A THR 88.A N ASP 113.A OD1 no hydrogen 2.892 N/A LEU 89.A N ALA 11.A O no hydrogen 2.816 N/A GLN 90.A N ALA 111.A O no hydrogen 2.888 N/A SER 91.A N.A ASP 9.A O no hydrogen 2.949 N/A SER 91.A N.B ASP 9.A O no hydrogen 2.922 N/A SER 91.A OG.B GLN 109.A O no hydrogen 3.334 N/A MET 92.A N.A GLN 109.A O no hydrogen 2.987 N/A MET 92.A N.B GLN 109.A O no hydrogen 2.970 N/A TYR 93.A N TYR 7.A O no hydrogen 3.182 N/A GLY 94.A N HIS 107.A O no hydrogen 3.091 N/A CYS 95.A N MET 5.A O no hydrogen 3.061 N/A ASP 96.A N ARG 105.A O no hydrogen 2.876 N/A VAL 97.A N HIS 3.A O no hydrogen 2.811 N/A GLY 98.A N ARG 102.A O no hydrogen 2.988 N/A GLY 101.A N GLY 98.A O no hydrogen 2.835 N/A ARG 102.A N ASP 100.A OD1 no hydrogen 3.104 N/A ARG 102.A NH1 ASP 100.A OD2 no hydrogen 3.000 N/A LEU 104.A N ASP 96.A O no hydrogen 2.772 N/A ARG 105.A N ASP 96.A O no hydrogen 3.371 N/A ARG 105.A NE GLY 106.A O no hydrogen 3.164 N/A ARG 105.A NH2 GLY 106.A O no hydrogen 3.429 N/A HIS 107.A N GLY 94.A O no hydrogen 2.966 N/A HIS 107.A NE2 ASP 96.A OD2 no hydrogen 2.912 N/A ASN 108.A ND2 TYR 110.A OH no hydrogen 3.503 N/A ASN 108.A ND2 ASP 150.A OD2 no hydrogen 2.745 N/A GLN 109.A N MET 92.A O.A no hydrogen 2.961 N/A GLN 109.A N MET 92.A O.B no hydrogen 2.907 N/A TYR 110.A N ILE 118.A O no hydrogen 2.855 N/A ALA 111.A N GLN 90.A O no hydrogen 2.875 N/A TYR 112.A N LYS 115.A O no hydrogen 2.912 N/A TYR 112.A OH GLN 81.A OE1 no hydrogen 2.632 N/A ASP 113.A N THR 88.A O no hydrogen 2.788 N/A LYS 115.A N TYR 112.A O no hydrogen 3.051 N/A TYR 117.A N TYR 110.A O no hydrogen 2.987 N/A TYR 117.A OH THR 137.A OG1 no hydrogen 2.757 N/A ALA 119.A N THR 128.A O no hydrogen 3.081 N/A LEU 120.A N ASN 108.A O no hydrogen 2.887 N/A ASN 121.A N SER 126.A O no hydrogen 2.893 N/A ASN 121.A ND2 SER 126.A OG no hydrogen 2.818 N/A LEU 124.A N ASN 121.A O no hydrogen 2.912 N/A ARG 125.A N ASP 123.A OD1 no hydrogen 2.817 N/A SER 126.A N ASP 123.A OD1 no hydrogen 3.106 N/A SER 126.A OG ASP 123.A OD1 no hydrogen 3.250 N/A SER 126.A OG ASP 123.A OD2 no hydrogen 2.940 N/A THR 128.A N ALA 119.A O no hydrogen 2.965 N/A THR 128.A OG1 ASN 121.A OD1 no hydrogen 2.643 N/A ALA 130.A N TYR 117.A O no hydrogen 2.926 N/A ALA 134.A N ASP 131.A OD1 no hydrogen 2.779 N/A GLN 135.A N ASP 131.A O no hydrogen 2.974 N/A ILE 136.A N.A ALA 133.A O no hydrogen 2.974 N/A ILE 136.A N.B ALA 133.A O no hydrogen 2.973 N/A THR 137.A N ALA 133.A O no hydrogen 3.360 N/A THR 137.A OG1 TYR 117.A OH no hydrogen 2.757 N/A GLN 138.A N ALA 134.A O no hydrogen 2.817 N/A GLN 138.A NE2 GLU 142.A OE2 no hydrogen 2.935 N/A ARG 139.A N.A GLN 135.A O no hydrogen 2.984 N/A ARG 139.A N.B GLN 135.A O no hydrogen 3.006 N/A LYS 140.A N.A ILE 136.A O.A no hydrogen 3.031 N/A LYS 140.A N.A ILE 136.A O.B no hydrogen 3.047 N/A LYS 140.A N.B ILE 136.A O.A no hydrogen 2.968 N/A LYS 140.A N.B ILE 136.A O.B no hydrogen 2.980 N/A LYS 140.A NZ.A TYR 78.A OH no hydrogen 2.799 N/A LYS 140.A NZ.B TYR 78.A OH no hydrogen 2.869 N/A TRP 141.A N THR 137.A O no hydrogen 2.838 N/A GLU 142.A N GLN 138.A O no hydrogen 2.840 N/A ALA 143.A N ARG 139.A O.A no hydrogen 2.995 N/A ALA 143.A N ARG 139.A O.B no hydrogen 3.091 N/A ALA 144.A N LYS 140.A O.A no hydrogen 2.971 N/A ALA 144.A N LYS 140.A O.B no hydrogen 3.159 N/A ARG 145.A N GLU 142.A O no hydrogen 3.337 N/A ARG 145.A NH1 GLU 148.A OE2 no hydrogen 3.178 N/A VAL 146.A N TRP 141.A O no hydrogen 2.910 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.743 N/A GLN 149.A N.A VAL 146.A O no hydrogen 2.989 N/A GLN 149.A NE2.B ALA 144.A O no hydrogen 3.664 N/A ASP 150.A N VAL 146.A O no hydrogen 2.952 N/A ARG 151.A N ALA 147.A O no hydrogen 2.765 N/A ARG 151.A NE GLU 155.A OE1.A no hydrogen 2.700 N/A ARG 151.A NE GLU 155.A OE1.B no hydrogen 3.293 N/A ARG 151.A NE GLU 155.A OE2.B no hydrogen 2.759 N/A ARG 151.A NH2 GLU 155.A OE2.B no hydrogen 3.481 N/A ALA 152.A N GLU 148.A O no hydrogen 3.098 N/A TYR 153.A N GLN 149.A O.A no hydrogen 3.202 N/A TYR 153.A N GLN 149.A O.B no hydrogen 3.176 N/A LEU 154.A N ASP 150.A O no hydrogen 2.927 N/A GLU 155.A N.A ARG 151.A O no hydrogen 2.892 N/A GLU 155.A N.B ARG 151.A O no hydrogen 2.877 N/A GLY 156.A N ALA 152.A O no hydrogen 2.963 N/A CYS 158.A N TYR 153.A O no hydrogen 2.803 N/A GLU 160.A N.A GLY 156.A O no hydrogen 2.918 N/A GLU 160.A N.B GLY 156.A O no hydrogen 2.927 N/A TRP 161.A N THR 157.A O no hydrogen 2.922 N/A LEU 162.A N CYS 158.A O no hydrogen 2.925 N/A ARG 163.A N VAL 159.A O no hydrogen 3.042 N/A ARG 163.A NE GLY 101.A O no hydrogen 2.951 N/A ARG 163.A NH2 GLY 101.A O no hydrogen 2.866 N/A ARG 164.A N.A GLU 160.A O.A no hydrogen 3.100 N/A ARG 164.A N.A GLU 160.A O.B no hydrogen 3.220 N/A ARG 164.A N.B GLU 160.A O.A no hydrogen 3.108 N/A ARG 164.A N.B GLU 160.A O.B no hydrogen 3.226 N/A TYR 165.A N TRP 161.A O no hydrogen 2.837 N/A TYR 165.A OH TYR 53.A OH no hydrogen 2.532 N/A LEU 166.A N LEU 162.A O no hydrogen 2.929 N/A GLU 167.A N ARG 163.A O no hydrogen 3.095 N/A ASN 168.A N ARG 164.A O.A no hydrogen 3.063 N/A ASN 168.A N ARG 164.A O.B no hydrogen 2.889 N/A GLY 169.A N TYR 165.A O no hydrogen 2.769 N/A LYS 170.A NZ GLU 167.A OE2 no hydrogen 2.796 N/A THR 172.A N.A GLY 169.A O no hydrogen 3.037 N/A THR 172.A N.B GLY 169.A O no hydrogen 2.995 N/A THR 172.A OG1.A GLY 169.A O no hydrogen 3.232 N/A LEU 173.A N GLY 169.A O no hydrogen 2.798 N/A GLU 174.A N LYS 170.A O no hydrogen 3.164 N/A ARG 175.A N THR 172.A O.A no hydrogen 3.070 N/A ARG 175.A N THR 172.A O.B no hydrogen 3.378 N/A ARG 175.A NE ASP 177.A OD2 no hydrogen 2.701 N/A ARG 175.A NH1 ASP 171.A O no hydrogen 3.047 N/A ARG 175.A NH2 ASP 177.A OD1 no hydrogen 3.286 N/A ASP 177.A N TYR 203.A O no hydrogen 2.759 N/A LYS 180.A N LEU 200.A O no hydrogen 2.770 N/A HIS 182.A N TRP 198.A O no hydrogen 3.363 N/A THR 184.A N ARG 196.A O no hydrogen 2.799 N/A THR 184.A OG1 ARG 196.A O no hydrogen 3.552 N/A HIS 185.A NE2 GLU 248.A OE2 no hydrogen 3.253 N/A HIS 186.A N THR 194.A O no hydrogen 2.917 N/A ILE 188.A N GLU 192.A O no hydrogen 2.970 N/A SER 189.A N GLU 192.A O no hydrogen 3.287 N/A HIS 191.A N SER 189.A OG no hydrogen 3.328 N/A GLU 192.A N SER 189.A OG no hydrogen 3.297 N/A ALA 193.A N VAL 243.A O no hydrogen 2.909 N/A THR 194.A N HIS 186.A O no hydrogen 2.748 N/A LEU 195.A N VAL 241.A O no hydrogen 2.929 N/A ARG 196.A N THR 184.A O no hydrogen 2.897 N/A CYS 197.A N ALA 239.A O no hydrogen 2.842 N/A TRP 198.A N HIS 182.A O no hydrogen 2.832 N/A ALA 199.A N LYS 237.A O no hydrogen 2.847 N/A LEU 200.A N LYS 180.A O no hydrogen 2.855 N/A PHE 202.A N PHE 235.A O no hydrogen 3.338 N/A TYR 203.A N ASP 177.A O no hydrogen 2.933 N/A TYR 203.A OH THR 31.A OG1 no hydrogen 2.828 N/A ALA 205.A N ASP 30.A OD2 no hydrogen 2.826 N/A THR 208.A N GLN 256.A O no hydrogen 3.097 N/A THR 208.A OG1 GLN 256.A OE1 no hydrogen 3.484 N/A THR 210.A N HIS 254.A O no hydrogen 3.005 N/A TRP 211.A NE1 ALA 239.A O no hydrogen 2.958 N/A GLN 212.A N THR 252.A O no hydrogen 2.814 N/A ARG 213.A N GLU 216.A O.A no hydrogen 2.825 N/A ARG 213.A N GLU 216.A O.B no hydrogen 2.918 N/A ARG 213.A NH1 TYR 251.A OH no hydrogen 2.549 N/A ASP 214.A N ARG 250.A O no hydrogen 2.849 N/A GLU 216.A N.A ARG 213.A O no hydrogen 3.021 N/A GLU 216.A N.B ARG 213.A O no hydrogen 3.031 N/A GLN 218.A N TRP 211.A O no hydrogen 3.061 N/A ASP 221.A N GLN 218.A O no hydrogen 3.002 N/A THR 222.A OG1 GLN 218.A O no hydrogen 2.809 N/A GLU 223.A N ALA 240.A O no hydrogen 2.844 N/A VAL 225.A N TRP 238.A O no hydrogen 3.284 N/A ARG 228.A N GLN 236.A O no hydrogen 3.003 N/A ARG 228.A NE GLN 236.A OE1 no hydrogen 2.925 N/A ARG 228.A NH2 GLN 236.A OE1 no hydrogen 3.123 N/A ALA 230.A N THR 234.A O no hydrogen 2.883 N/A ARG 233.A NE ASP 177.A OD1 no hydrogen 3.183 N/A ARG 233.A NH1 THR 172.A O.A no hydrogen 3.051 N/A ARG 233.A NH1 THR 172.A O.B no hydrogen 2.801 N/A ARG 233.A NH2 THR 172.A O.B no hydrogen 3.529 N/A ARG 233.A NH2 ARG 175.A O no hydrogen 2.825 N/A ARG 233.A NH2 ASP 177.A OD1 no hydrogen 2.891 N/A THR 234.A N ASP 232.A OD2 no hydrogen 2.964 N/A THR 234.A OG1 ASP 232.A OD2 no hydrogen 2.641 N/A PHE 235.A N PHE 202.A O no hydrogen 2.799 N/A GLN 236.A N ARG 228.A O no hydrogen 2.812 N/A LYS 237.A N ALA 199.A O no hydrogen 2.946 N/A LYS 237.A NZ VAL 225.A O no hydrogen 2.937 N/A LYS 237.A NZ THR 227.A OG1 no hydrogen 3.012 N/A ALA 239.A N CYS 197.A O no hydrogen 3.090 N/A ALA 240.A N GLU 223.A O no hydrogen 2.827 N/A VAL 241.A N LEU 195.A O no hydrogen 3.007 N/A VAL 243.A N ALA 193.A O no hydrogen 2.811 N/A SER 245.A N HIS 191.A O no hydrogen 3.003 N/A SER 245.A OG ASP 190.A O no hydrogen 3.276 N/A GLY 246.A N GLU 248.A OE1 no hydrogen 2.901 N/A GLY 246.A N GLU 248.A OE2 no hydrogen 3.462 N/A GLU 247.A N PRO 244.A O no hydrogen 2.921 N/A GLU 248.A N GLU 248.A OE1 no hydrogen 2.826 N/A GLN 249.A NE2 TRP 268.A O no hydrogen 3.284 N/A ARG 250.A N GLU 247.A O no hydrogen 3.022 N/A ARG 250.A NE ASP 214.A OD1 no hydrogen 3.054 N/A ARG 250.A NE ASP 214.A OD2 no hydrogen 3.394 N/A ARG 250.A NH2 ASP 214.A OD2 no hydrogen 2.784 N/A TYR 251.A N GLU 248.A O no hydrogen 3.135 N/A THR 252.A N GLN 212.A O no hydrogen 2.999 N/A THR 252.A OG1 HIS 254.A NE2 no hydrogen 2.717 N/A CYS 253.A N LEU 266.A O no hydrogen 2.761 N/A CYS 253.A SG THR 210.A O no hydrogen 3.771 N/A HIS 254.A N THR 210.A O no hydrogen 2.755 N/A HIS 254.A NE2 THR 252.A OG1 no hydrogen 2.717 N/A VAL 255.A N LEU 264.A O no hydrogen 3.079 N/A GLN 256.A N THR 208.A O no hydrogen 2.937 N/A HIS 257.A NE2 PRO 204.A O no hydrogen 2.964 N/A GLY 259.A N HIS 257.A ND1 no hydrogen 2.952 N/A LEU 260.A N HIS 257.A O no hydrogen 3.030 N/A LEU 264.A N VAL 255.A O no hydrogen 3.085 N/A LEU 266.A N CYS 253.A O no hydrogen 2.700 N/A