Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t9w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ASP 40.A OD1 no hydrogen 2.827 N/A ARG 4.A N THR 41.A O no hydrogen 2.930 N/A ARG 5.A NE GLU 43.A OE1 no hydrogen 3.191 N/A ILE 6.A N GLU 43.A O no hydrogen 2.895 N/A MET 8.A N ASP 45.A O no hydrogen 2.886 N/A TYR 9.A N GLY 21.A O no hydrogen 2.778 N/A ALA 10.A N VAL 47.A O no hydrogen 2.967 N/A GLU 11.A N GLY 19.A O no hydrogen 2.826 N/A ILE 13.A N LEU 17.A O no hydrogen 2.745 N/A SER 14.A N LEU 17.A O no hydrogen 3.293 N/A LEU 17.A N SER 14.A O no hydrogen 3.160 N/A TYR 18.A N LYS 126.A O no hydrogen 2.855 N/A GLY 19.A N GLU 11.A O no hydrogen 2.968 N/A TYR 20.A OH SER 55.A O no hydrogen 2.705 N/A GLY 21.A N TYR 9.A O no hydrogen 2.913 N/A GLY 25.A N GLU 11.A OE2 no hydrogen 2.656 N/A GLY 26.A N ALA 23.A O no hydrogen 2.842 N/A ALA 27.A N GLU 11.A OE1 no hydrogen 3.144 N/A THR 28.A N TYR 20.A O no hydrogen 3.065 N/A THR 28.A OG1 PRO 30.A O no hydrogen 2.745 N/A GLY 31.A N TYR 129.A O no hydrogen 2.852 N/A LEU 34.A N ALA 131.A O no hydrogen 2.990 N/A MET 36.A N VAL 133.A O no hydrogen 2.907 N/A TRP 37.A N ASP 40.A OD2 no hydrogen 2.863 N/A GLU 38.A N ARG 135.A O no hydrogen 2.916 N/A GLY 39.A N SER 89.A OG no hydrogen 2.867 N/A ASP 40.A N TRP 37.A O no hydrogen 2.874 N/A THR 41.A N THR 2.A O no hydrogen 2.886 N/A LEU 42.A N TRP 87.A O no hydrogen 2.791 N/A GLU 43.A N ARG 4.A O no hydrogen 2.813 N/A ILE 44.A N TYR 85.A O no hydrogen 2.802 N/A ASP 45.A N ILE 6.A O no hydrogen 2.870 N/A LEU 46.A N ARG 83.A O no hydrogen 2.856 N/A VAL 47.A N MET 8.A O no hydrogen 2.800 N/A ASN 48.A N GLN 81.A O no hydrogen 2.839 N/A ASN 48.A ND2 ARG 52.A O no hydrogen 2.710 N/A ASN 48.A ND2 VAL 77.A O no hydrogen 3.013 N/A THR 49.A N ALA 10.A O no hydrogen 3.063 N/A THR 49.A OG1 ALA 10.A O no hydrogen 2.723 N/A THR 50.A N ASN 48.A OD1 no hydrogen 2.937 N/A THR 50.A OG1 ASN 48.A OD1 no hydrogen 2.748 N/A ARG 52.A N THR 50.A OG1 no hydrogen 2.964 N/A ARG 52.A NH1 GLU 122.A OE1 no hydrogen 3.332 N/A ARG 52.A NH1 GLU 122.A OE2 no hydrogen 2.813 N/A ARG 52.A NH2 GLU 122.A OE1 no hydrogen 2.708 N/A LEU 54.A N VAL 77.A O no hydrogen 3.397 N/A SER 55.A N ASP 112.A OD1 no hydrogen 2.756 N/A SER 55.A OG GLY 69.A O no hydrogen 2.693 N/A SER 55.A OG ASP 112.A OD1 no hydrogen 3.515 N/A LEU 56.A N TYR 85.A OH no hydrogen 3.411 N/A HIS 57.A N HIS 111.A O no hydrogen 2.862 N/A HIS 57.A ND1 ASP 68.A O no hydrogen 2.683 N/A HIS 59.A N HIS 109.A O no hydrogen 2.926 N/A VAL 61.A N HIS 59.A O no hydrogen 2.919 N/A ASP 62.A N ARG 88.A O no hydrogen 2.855 N/A SER 67.A N ASP 64.A O no hydrogen 2.917 N/A SER 67.A N ASP 64.A OD1 no hydrogen 3.328 N/A ASP 68.A N VAL 65.A O no hydrogen 3.141 N/A GLY 69.A N SER 75.A OG no hydrogen 2.896 N/A THR 70.A N ASP 68.A OD1 no hydrogen 2.893 N/A THR 70.A OG1 ASP 68.A OD1 no hydrogen 2.724 N/A THR 70.A OG1 ASP 68.A OD2 no hydrogen 3.241 N/A ASN 73.A N THR 70.A OG1 no hydrogen 3.302 N/A ASN 73.A ND2 ASP 68.A OD2 no hydrogen 2.665 N/A GLY 74.A N LEU 71.A O no hydrogen 3.002 N/A SER 75.A N THR 70.A O no hydrogen 2.864 N/A SER 75.A OG ASN 66.A O no hydrogen 2.725 N/A VAL 77.A N LEU 54.A O no hydrogen 2.871 N/A GLY 80.A N ASN 48.A O no hydrogen 2.784 N/A GLN 81.A N MET 78.A O no hydrogen 2.988 N/A ARG 83.A N LEU 46.A O no hydrogen 3.036 N/A ARG 83.A NE ALA 76.A O no hydrogen 2.752 N/A ARG 83.A NH2 ALA 76.A O no hydrogen 3.541 N/A TYR 85.A N ILE 44.A O no hydrogen 2.780 N/A TYR 85.A OH SER 75.A O no hydrogen 2.651 N/A THR 86.A N SER 67.A OG no hydrogen 2.944 N/A TRP 87.A N LEU 42.A O no hydrogen 2.848 N/A ARG 88.A N ASP 62.A O no hydrogen 2.671 N/A SER 89.A OG TRP 37.A O no hydrogen 3.570 N/A SER 89.A OG ASP 40.A O no hydrogen 2.777 N/A HIS 90.A N THR 104.A OG1 no hydrogen 3.022 N/A HIS 90.A ND1 ASP 62.A OD2 no hydrogen 2.743 N/A HIS 90.A NE2 GLU 102.A O no hydrogen 2.703 N/A TYR 93.A N ALA 101.A O no hydrogen 2.926 N/A ARG 94.A NH1 GLY 98.A O no hydrogen 3.029 N/A ARG 95.A N SER 99.A O no hydrogen 2.897 N/A ARG 95.A NH2 SER 99.A OG no hydrogen 2.942 N/A GLY 98.A N ARG 95.A O no hydrogen 2.791 N/A SER 99.A N ASP 97.A OD1 no hydrogen 2.850 N/A SER 99.A OG ASP 97.A OD1 no hydrogen 2.634 N/A ALA 101.A N TYR 93.A O no hydrogen 2.759 N/A THR 104.A N HIS 90.A O no hydrogen 2.954 N/A THR 104.A OG1 HIS 90.A O no hydrogen 3.487 N/A ALA 105.A N GLU 38.A OE2 no hydrogen 2.880 N/A GLY 106.A N VAL 134.A O no hydrogen 2.872 N/A TYR 107.A OH GLU 175.A OE2 no hydrogen 2.583 N/A TRP 108.A N LEU 132.A O no hydrogen 2.760 N/A TRP 108.A NE1 THR 104.A O no hydrogen 2.882 N/A HIS 109.A NE2 GLY 221.A O no hydrogen 2.834 N/A TYR 110.A N GLY 130.A O no hydrogen 2.906 N/A TYR 110.A OH PRO 32.A O no hydrogen 2.664 N/A HIS 111.A N HIS 57.A O no hydrogen 2.864 N/A HIS 111.A ND1 ASP 112.A O no hydrogen 2.797 N/A ASP 112.A N LEU 128.A O no hydrogen 3.036 N/A HIS 113.A N SER 55.A OG no hydrogen 2.914 N/A HIS 113.A ND1 HIS 113.A O no hydrogen 2.858 N/A HIS 113.A ND1 GLU 118.A O no hydrogen 2.893 N/A ALA 114.A N ASP 112.A OD1 no hydrogen 2.967 N/A MET 115.A N ASP 112.A OD2 no hydrogen 2.802 N/A THR 117.A OG1 THR 121.A OG1 no hydrogen 3.138 N/A HIS 119.A N THR 117.A OG1 no hydrogen 3.120 N/A GLY 120.A N THR 117.A O no hydrogen 2.945 N/A THR 121.A N THR 117.A OG1 no hydrogen 3.274 N/A THR 121.A OG1 THR 117.A OG1 no hydrogen 3.138 N/A GLU 122.A N MET 115.A O no hydrogen 3.034 N/A GLY 123.A N MET 115.A O no hydrogen 3.419 N/A VAL 124.A N GLY 120.A O no hydrogen 2.908 N/A LEU 125.A N THR 121.A O no hydrogen 2.947 N/A LYS 126.A N GLU 122.A O no hydrogen 3.001 N/A LYS 126.A N GLY 123.A O no hydrogen 3.235 N/A LYS 126.A NZ GLU 122.A OE2 no hydrogen 2.841 N/A GLY 127.A N VAL 124.A O no hydrogen 3.191 N/A LEU 128.A N GLY 123.A O no hydrogen 2.922 N/A TYR 129.A N GLY 127.A O no hydrogen 2.914 N/A TYR 129.A OH ASN 157.A OD1 no hydrogen 2.701 N/A GLY 130.A N TYR 110.A O no hydrogen 2.996 N/A LEU 132.A N TRP 108.A O no hydrogen 2.993 N/A VAL 133.A N LEU 34.A O no hydrogen 2.796 N/A VAL 134.A N GLY 106.A O no hydrogen 2.982 N/A ARG 135.A N MET 36.A O no hydrogen 2.786 N/A ARG 135.A NH1 GLU 175.A OE2 no hydrogen 2.929 N/A ARG 135.A NH2 GLU 35.A OE2 no hydrogen 3.245 N/A ARG 135.A NH2 GLU 175.A OE1 no hydrogen 2.912 N/A ARG 136.A N ASP 139.A OD2 no hydrogen 2.853 N/A ARG 136.A NE GLU 38.A OE1 no hydrogen 3.143 N/A ARG 136.A NE GLU 38.A OE2 no hydrogen 3.406 N/A ARG 136.A NH2 GLU 38.A OE2 no hydrogen 2.834 N/A ASP 139.A N ARG 136.A O no hydrogen 2.924 N/A LYS 143.A N ARG 173.A O no hydrogen 2.773 N/A LYS 143.A NZ GLU 172.A OE2 no hydrogen 3.522 N/A ARG 144.A N ARG 173.A O no hydrogen 3.304 N/A ARG 144.A NE GLU 172.A OE1 no hydrogen 2.749 N/A ARG 144.A NH2 GLU 172.A OE1 no hydrogen 3.533 N/A ARG 144.A NH2 GLU 172.A OE2 no hydrogen 2.958 N/A GLN 145.A NE2 GLU 35.A OE2 no hydrogen 2.929 N/A GLN 145.A NE2 GLU 175.A OE1 no hydrogen 2.861 N/A PHE 146.A N GLU 175.A O no hydrogen 2.865 N/A VAL 148.A N.A ILE 177.A O no hydrogen 2.770 N/A VAL 148.A N.B ILE 177.A O no hydrogen 2.787 N/A VAL 149.A N ASN 156.A OD1 no hydrogen 2.764 N/A PHE 150.A N ILE 179.A O no hydrogen 2.921 N/A ASN 151.A N MET 154.A O no hydrogen 2.904 N/A ASN 151.A ND2 VAL 124.A O no hydrogen 3.020 N/A ASN 151.A ND2 LEU 125.A O no hydrogen 3.373 N/A ASN 151.A ND2 ASN 157.A OD1 no hydrogen 2.951 N/A ASP 152.A N HIS 181.A O no hydrogen 3.067 N/A MET 154.A N ASN 151.A O no hydrogen 2.858 N/A ASN 156.A N VAL 149.A O no hydrogen 2.922 N/A ASN 156.A ND2 THR 147.A O no hydrogen 3.049 N/A ASN 157.A ND2 LEU 125.A O no hydrogen 2.847 N/A ARG 158.A N ILE 155.A O no hydrogen 3.001 N/A ARG 158.A NH1.A ASP 162.A O no hydrogen 2.829 N/A ARG 158.A NH1.B VAL 29.A O no hydrogen 2.817 N/A ARG 158.A NH2.B VAL 29.A O no hydrogen 2.753 N/A ASP 162.A N ALA 159.A O no hydrogen 2.783 N/A PHE 166.A N MET 256.A O no hydrogen 2.936 N/A ALA 168.A N LEU 258.A O no hydrogen 3.020 N/A ASN 169.A N GLU 172.A OE1 no hydrogen 2.843 N/A LEU 170.A N ARG 260.A O no hydrogen 2.880 N/A GLY 171.A N ALA 230.A O no hydrogen 2.871 N/A GLU 172.A N ASN 169.A O no hydrogen 2.985 N/A ARG 173.A NH1 GLN 227.A OE1 no hydrogen 2.866 N/A VAL 174.A N VAL 228.A O no hydrogen 2.860 N/A GLU 175.A N ARG 144.A O no hydrogen 2.872 N/A TRP 176.A N PHE 226.A O no hydrogen 2.881 N/A ILE 177.A N PHE 146.A O no hydrogen 2.832 N/A ALA 178.A N PHE 224.A O no hydrogen 2.874 N/A ILE 179.A N VAL 148.A O.A no hydrogen 2.908 N/A ILE 179.A N VAL 148.A O.B no hydrogen 3.027 N/A GLY 180.A N VAL 222.A O no hydrogen 2.862 N/A HIS 181.A N PHE 150.A O no hydrogen 2.901 N/A SER 183.A N ASP 152.A OD1 no hydrogen 2.780 N/A HIS 186.A N ASN 219.A OD1 no hydrogen 2.880 N/A PHE 188.A N LYS 216.A O.A no hydrogen 2.835 N/A PHE 188.A N LYS 216.A O.B no hydrogen 2.829 N/A HIS 189.A N HIS 242.A O no hydrogen 2.953 N/A HIS 189.A ND1 ASP 214.A O no hydrogen 2.804 N/A LEU 190.A N ASP 214.A O no hydrogen 3.232 N/A HIS 191.A N MET 240.A O no hydrogen 2.870 N/A HIS 193.A ND1 HIS 191.A O no hydrogen 2.988 N/A TRP 195.A N ILE 213.A O no hydrogen 2.957 N/A LEU 196.A N GLY 201.A O no hydrogen 2.921 N/A ASP 197.A N PRO 211.A O no hydrogen 2.870 N/A ASN 198.A ND2 MET 202.A O.A no hydrogen 2.918 N/A ASN 198.A ND2 MET 202.A O.B no hydrogen 3.073 N/A ASN 198.A ND2 ASP 208.A OD2 no hydrogen 2.919 N/A ARG 199.A NH1 ASP 139.A OD2 no hydrogen 2.818 N/A ARG 199.A NH2 ASP 139.A OD1 no hydrogen 2.985 N/A GLY 201.A N ASN 198.A OD1 no hydrogen 2.779 N/A MET 202.A N.A THR 200.A OG1 no hydrogen 3.202 N/A MET 202.A N.B THR 200.A OG1 no hydrogen 3.225 N/A ARG 203.A NH1 SER 205.A O no hydrogen 3.026 N/A ARG 203.A NH1 ASP 208.A O no hydrogen 2.839 N/A ARG 203.A NH2 ASP 208.A O no hydrogen 3.128 N/A THR 204.A N ASP 208.A OD2 no hydrogen 3.319 N/A THR 204.A OG1 ASP 208.A OD2 no hydrogen 3.411 N/A TYR 207.A N SER 205.A OG no hydrogen 2.994 N/A ASP 208.A N SER 205.A O no hydrogen 3.395 N/A SER 210.A N ASP 208.A OD1 no hydrogen 2.926 N/A SER 210.A OG ASP 197.A O no hydrogen 3.487 N/A SER 210.A OG ASP 208.A OD1 no hydrogen 2.658 N/A ILE 213.A N TRP 195.A O no hydrogen 2.913 N/A LYS 216.A N.A PHE 188.A O no hydrogen 2.999 N/A LYS 216.A N.B PHE 188.A O no hydrogen 3.002 N/A LYS 216.A NZ.A ASP 197.A OD1 no hydrogen 3.051 N/A LYS 216.A NZ.B ASP 197.A OD1 no hydrogen 3.251 N/A LEU 218.A N HIS 186.A O no hydrogen 2.906 N/A GLY 221.A N GLY 180.A O no hydrogen 2.809 N/A VAL 222.A N ASN 219.A O no hydrogen 3.015 N/A SER 223.A OG TYR 107.A O no hydrogen 2.739 N/A PHE 224.A N ALA 178.A O no hydrogen 3.041 N/A PHE 226.A N TRP 176.A O no hydrogen 3.057 N/A GLN 227.A NE2 LEU 140.A O no hydrogen 2.966 N/A GLN 227.A NE2 GLU 175.A OE2 no hydrogen 3.057 N/A VAL 228.A N VAL 174.A O no hydrogen 2.899 N/A ALA 230.A N GLU 172.A O no hydrogen 2.866 N/A GLY 231.A N HIS 193.A NE2 no hydrogen 2.920 N/A GLU 232.A N ILE 229.A O no hydrogen 3.003 N/A VAL 234.A N GLY 231.A O no hydrogen 3.026 N/A GLY 235.A N GLY 231.A O no hydrogen 2.928 N/A GLY 237.A N VAL 259.A O no hydrogen 2.872 N/A TRP 239.A N PHE 257.A O no hydrogen 2.882 N/A TRP 239.A NE1 GLY 235.A O no hydrogen 3.059 N/A TYR 241.A N GLY 255.A O no hydrogen 3.056 N/A TYR 241.A OH PRO 164.A O no hydrogen 2.683 N/A HIS 242.A N HIS 189.A O no hydrogen 2.917 N/A HIS 242.A ND1 CYS 243.A O no hydrogen 2.851 N/A CYS 243.A N MET 253.A O no hydrogen 3.079 N/A CYS 243.A SG HIS 186.A ND1 no hydrogen 3.747 N/A CYS 243.A SG THR 187.A O no hydrogen 3.802 N/A CYS 243.A SG HIS 248.A ND1 no hydrogen 3.713 N/A HIS 244.A N THR 187.A O no hydrogen 2.928 N/A HIS 244.A N THR 187.A OG1 no hydrogen 3.306 N/A HIS 244.A ND1 HIS 244.A O no hydrogen 2.836 N/A HIS 248.A ND1 HIS 186.A ND1 no hydrogen 3.174 N/A SER 249.A N VAL 245.A O no hydrogen 3.023 N/A SER 249.A OG GLN 246.A O no hydrogen 3.140 N/A ASP 250.A N GLN 246.A O no hydrogen 3.067 N/A MET 251.A N ASN 247.A O.A no hydrogen 3.190 N/A MET 251.A N ASN 247.A O.B no hydrogen 3.246 N/A MET 251.A N HIS 248.A O no hydrogen 3.090 N/A GLY 252.A N SER 249.A O no hydrogen 3.067 N/A MET 253.A N HIS 248.A O no hydrogen 2.959 N/A ALA 254.A N GLY 252.A O no hydrogen 2.829 N/A GLY 255.A N TYR 241.A O no hydrogen 2.876 N/A PHE 257.A N TRP 239.A O no hydrogen 2.769 N/A LEU 258.A N PHE 166.A O no hydrogen 2.762 N/A VAL 259.A N GLY 237.A O no hydrogen 2.906 N/A ARG 260.A N ALA 168.A O no hydrogen 2.804 N/A ARG 260.A NE.A GLU 167.A OE1 no hydrogen 2.897 N/A ARG 260.A NE.B ASN 169.A OD1 no hydrogen 2.731 N/A ARG 260.A NH1.A GLY 264.A O no hydrogen 3.274 N/A ARG 260.A NH1.B GLU 167.A OE1 no hydrogen 2.936 N/A ARG 260.A NH2.A GLU 167.A OE1 no hydrogen 3.089 N/A ASN 261.A N THR 265.A O no hydrogen 2.879 N/A ASN 261.A ND2 THR 265.A OG1 no hydrogen 3.052 N/A GLY 264.A N ASN 261.A O no hydrogen 2.835 N/A THR 265.A N ASP 263.A OD1 no hydrogen 2.976 N/A THR 265.A OG1 ASP 263.A OD1 no hydrogen 2.431 N/A THR 265.A OG1 ASP 263.A OD2 no hydrogen 3.435 N/A VAL 270.A N PRO 267.A O no hydrogen 3.067 N/A