Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f3k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 5.A N SER 164.A O no hydrogen 3.007 N/A ARG 5.A NE ASP 165.A OD1 no hydrogen 2.970 N/A ARG 5.A NH2 PHE 49.A O no hydrogen 3.461 N/A ARG 5.A NH2 ASP 165.A OD2 no hydrogen 2.770 N/A CYS 6.A N LEU 234.A O no hydrogen 2.751 N/A CYS 6.A SG ILE 166.A O no hydrogen 3.762 N/A ILE 7.A N ILE 166.A O no hydrogen 2.851 N/A ILE 8.A N GLY 232.A O no hydrogen 2.863 N/A VAL 9.A N VAL 167.A O no hydrogen 2.816 N/A ARG 10.A N GLY 230.A O no hydrogen 2.946 N/A ARG 10.A NH1 LEU 226.A O no hydrogen 2.892 N/A HIS 11.A N ALA 169.A O no hydrogen 3.154 N/A HIS 11.A ND1 GLY 12.A O no hydrogen 2.741 N/A GLY 12.A N THR 69.A OG1 no hydrogen 3.336 N/A GLN 13.A N GLN 37.A OE1 no hydrogen 2.860 N/A GLN 13.A NE2 THR 31.A OG1 no hydrogen 2.662 N/A THR 14.A N SER 17.A OG no hydrogen 2.894 N/A SER 17.A N THR 14.A OG1 no hydrogen 2.925 N/A SER 17.A OG THR 14.A O no hydrogen 3.278 N/A LYS 18.A N.A THR 14.A O no hydrogen 3.383 N/A LYS 18.A N.B THR 14.A O no hydrogen 3.416 N/A SER 19.A OG GLU 15.A O no hydrogen 3.506 N/A SER 19.A OG TRP 16.A O no hydrogen 3.006 N/A SER 19.A OG GLN 21.A OE1 no hydrogen 2.654 N/A GLY 20.A N SER 17.A O no hydrogen 3.381 N/A GLN 21.A N TRP 16.A O no hydrogen 2.966 N/A GLN 21.A N SER 19.A OG no hydrogen 3.372 N/A GLN 21.A NE2 GLY 103.A O no hydrogen 3.212 N/A TYR 22.A OH THR 105.A OG1 no hydrogen 2.753 N/A THR 23.A OG1 GLN 21.A O no hydrogen 3.071 N/A GLY 24.A N GLU 102.A OE2 no hydrogen 2.847 N/A THR 26.A N GLU 102.A OE2 no hydrogen 3.146 N/A THR 26.A OG1 GLU 102.A OE2 no hydrogen 2.649 N/A LEU 30.A N GLN 68.A OE1 no hydrogen 2.919 N/A THR 31.A N GLN 13.A O no hydrogen 2.981 N/A THR 31.A OG1 GLN 13.A O no hydrogen 3.347 N/A GLY 34.A N THR 31.A OG1 no hydrogen 2.869 N/A GLU 35.A N THR 31.A O no hydrogen 2.870 N/A GLY 36.A N PRO 32.A O no hydrogen 3.202 N/A GLN 37.A N TYR 33.A O no hydrogen 2.853 N/A ARG 39.A N GLY 36.A O no hydrogen 2.876 N/A THR 40.A N GLN 37.A O no hydrogen 2.943 N/A THR 40.A OG1 GLN 37.A O no hydrogen 2.821 N/A GLU 42.A N.A LEU 38.A O no hydrogen 3.043 N/A GLU 42.A N.B LEU 38.A O no hydrogen 3.045 N/A SER 43.A N ARG 39.A O no hydrogen 2.920 N/A VAL 44.A N THR 40.A O no hydrogen 2.958 N/A PHE 45.A N GLY 41.A O no hydrogen 3.004 N/A ARG 46.A N.A GLU 42.A O.A no hydrogen 2.956 N/A ARG 46.A N.A GLU 42.A O.B no hydrogen 2.729 N/A ARG 46.A N.B GLU 42.A O.A no hydrogen 2.964 N/A ARG 46.A N.B GLU 42.A O.B no hydrogen 2.736 N/A ARG 46.A NE.B GLU 42.A OE2.B no hydrogen 3.427 N/A ARG 46.A NH1.A PRO 76.A O no hydrogen 3.176 N/A ASN 47.A N.A GLU 42.A O.A no hydrogen 2.891 N/A ASN 47.A N.A GLU 42.A O.B no hydrogen 2.939 N/A ASN 47.A N.B GLU 42.A O.A no hydrogen 3.211 N/A ASN 47.A N.B GLU 42.A O.B no hydrogen 3.280 N/A GLN 48.A NE2.B ARG 46.A O.A no hydrogen 3.368 N/A GLN 48.A NE2.B ARG 46.A O.B no hydrogen 2.842 N/A LEU 50.A N VAL 44.A O no hydrogen 3.126 N/A ASP 53.A N ASN 51.A OD1 no hydrogen 2.871 N/A ASN 54.A N ASN 51.A O no hydrogen 2.913 N/A ILE 55.A N PRO 52.A O no hydrogen 3.211 N/A THR 56.A N ASP 165.A O no hydrogen 2.998 N/A THR 56.A OG1 SER 164.A OG no hydrogen 2.820 N/A THR 56.A OG1 ASP 165.A O no hydrogen 3.539 N/A TYR 57.A OH THR 206.A OG1 no hydrogen 2.874 N/A ILE 58.A N ARG 86.A O no hydrogen 2.785 N/A THR 60.A N VAL 88.A O no hydrogen 2.856 N/A THR 60.A OG1 SER 61.A O no hydrogen 2.874 N/A SER 61.A N PHE 168.A O no hydrogen 2.948 N/A SER 61.A OG HIS 170.A NE2 no hydrogen 2.714 N/A ARG 63.A N SER 61.A OG no hydrogen 3.164 N/A LEU 64.A N ASP 27.A OD1 no hydrogen 2.823 N/A ARG 65.A NE HIS 11.A NE2 no hydrogen 3.337 N/A ARG 65.A NH2 GLY 24.A O no hydrogen 2.905 N/A ARG 67.A N ARG 63.A O no hydrogen 3.067 N/A ARG 67.A NE PRO 62.A O no hydrogen 2.832 N/A GLN 68.A N LEU 64.A O no hydrogen 2.773 N/A THR 69.A N ARG 65.A O no hydrogen 3.223 N/A THR 69.A OG1 ARG 65.A O no hydrogen 2.699 N/A VAL 70.A N ALA 66.A O no hydrogen 3.008 N/A ASP 71.A N ARG 67.A O no hydrogen 3.241 N/A LEU 72.A N GLN 68.A O no hydrogen 3.008 N/A VAL 73.A N THR 69.A O no hydrogen 2.936 N/A LEU 74.A N VAL 70.A O no hydrogen 3.074 N/A LYS 75.A N LEU 72.A O no hydrogen 3.340 N/A LEU 77.A N LEU 74.A O no hydrogen 3.011 N/A SER 78.A N GLN 81.A OE1 no hydrogen 2.837 N/A GLN 81.A N SER 78.A OG no hydrogen 3.053 N/A ARG 82.A N SER 78.A O no hydrogen 2.955 N/A ARG 82.A NH1 ASP 79.A OD1 no hydrogen 2.904 N/A ARG 82.A NH2 LEU 74.A O no hydrogen 2.851 N/A ARG 82.A NH2 LEU 77.A O no hydrogen 2.907 N/A ALA 83.A N ASP 79.A O no hydrogen 2.800 N/A LYS 84.A N GLN 81.A O no hydrogen 3.179 N/A ILE 85.A N ARG 82.A O no hydrogen 3.158 N/A ARG 86.A N THR 56.A O no hydrogen 3.122 N/A ARG 86.A NH1 TYR 57.A OH no hydrogen 3.044 N/A VAL 88.A N ILE 58.A O no hydrogen 2.769 N/A ASP 90.A N THR 60.A O no hydrogen 2.847 N/A ASP 91.A N SER 201.A O no hydrogen 2.904 N/A ASP 92.A N ASP 90.A OD1 no hydrogen 2.920 N/A LEU 93.A N ASP 90.A O no hydrogen 2.992 N/A ARG 94.A N ASP 91.A O no hydrogen 3.214 N/A ARG 94.A NE GLU 97.A OE2 no hydrogen 2.780 N/A ARG 94.A NH1 ASP 91.A O no hydrogen 2.820 N/A ARG 94.A NH2 GLU 97.A OE2 no hydrogen 3.036 N/A TRP 96.A N GLU 95.A OE1 no hydrogen 2.809 N/A TRP 96.A NE1 GLU 134.A O no hydrogen 2.966 N/A GLU 97.A N GLU 134.A OE1 no hydrogen 2.874 N/A TYR 98.A OH HIS 172.A ND1 no hydrogen 2.659 N/A ASP 100.A N GLU 131.A O no hydrogen 2.914 N/A TYR 101.A N TYR 98.A O no hydrogen 2.955 N/A TYR 101.A OH GLU 131.A OE1 no hydrogen 2.576 N/A GLU 102.A N GLY 99.A O no hydrogen 3.258 N/A GLY 103.A N TYR 22.A O no hydrogen 2.750 N/A LEU 104.A N GLU 107.A OE1 no hydrogen 2.888 N/A THR 105.A OG1 TYR 22.A OH no hydrogen 2.753 N/A ILE 108.A N LEU 104.A O no hydrogen 2.954 N/A ILE 109.A N THR 105.A O no hydrogen 2.975 N/A GLU 110.A N ARG 106.A O no hydrogen 3.118 N/A LEU 111.A N GLU 107.A O no hydrogen 2.889 N/A ARG 112.A N ILE 108.A O no hydrogen 2.860 N/A ARG 112.A NE ASP 118.A OD1 no hydrogen 3.475 N/A ARG 112.A NE ASP 118.A OD2 no hydrogen 2.772 N/A ARG 112.A NH1 TYR 101.A OH no hydrogen 2.850 N/A ARG 112.A NH2 ASP 118.A OD1 no hydrogen 2.894 N/A LYS 113.A N.A ILE 109.A O no hydrogen 2.871 N/A LYS 113.A N.B ILE 109.A O no hydrogen 2.873 N/A SER 114.A N GLU 110.A O no hydrogen 2.883 N/A SER 114.A OG LEU 111.A O no hydrogen 2.691 N/A ARG 115.A N LEU 111.A O no hydrogen 3.130 N/A ARG 115.A N ARG 112.A O no hydrogen 3.041 N/A ARG 115.A NH1 ASP 100.A OD2 no hydrogen 2.796 N/A ARG 115.A NH1 GLU 131.A OE1 no hydrogen 2.938 N/A GLY 116.A N LYS 113.A O.A no hydrogen 2.996 N/A GLY 116.A N LYS 113.A O.B no hydrogen 2.990 N/A LEU 117.A N ARG 112.A O no hydrogen 3.065 N/A TRP 123.A NE1 GLY 129.A O no hydrogen 2.942 N/A ASN 124.A N ASP 128.A OD2 no hydrogen 2.943 N/A ASN 124.A ND2 ASP 220.A OD1 no hydrogen 2.858 N/A ARG 127.A N ASN 124.A O no hydrogen 3.081 N/A ARG 127.A N ASN 124.A OD1 no hydrogen 3.359 N/A ARG 127.A NE ASP 128.A OD1 no hydrogen 2.798 N/A ARG 127.A NH2 PRO 122.A O no hydrogen 2.899 N/A ARG 127.A NH2 ASP 128.A OD1 no hydrogen 3.462 N/A ARG 127.A NH2 ASP 128.A OD2 no hydrogen 2.860 N/A ASP 128.A N ASN 124.A O no hydrogen 2.732 N/A GLY 129.A N ILE 125.A O no hydrogen 2.841 N/A CYS 130.A N GLU 134.A O no hydrogen 3.198 N/A GLY 133.A N CYS 130.A O no hydrogen 2.941 N/A GLU 134.A N GLU 97.A O no hydrogen 2.920 N/A THR 135.A N GLN 138.A OE1 no hydrogen 3.007 N/A THR 136.A OG1 TRP 126.A O no hydrogen 2.742 N/A THR 136.A OG1 TYR 176.A OH no hydrogen 2.783 N/A THR 136.A OG1 LEU 218.A O no hydrogen 3.360 N/A GLN 137.A NE2 HIS 217.A NE2 no hydrogen 3.280 N/A GLN 138.A N THR 135.A OG1 no hydrogen 3.055 N/A ILE 139.A N THR 135.A O no hydrogen 3.334 N/A GLY 140.A N THR 136.A O no hydrogen 2.939 N/A LEU 141.A N GLN 137.A O no hydrogen 2.927 N/A ARG 142.A N GLN 138.A O no hydrogen 3.279 N/A ARG 142.A NE GLU 134.A OE2 no hydrogen 2.767 N/A ARG 142.A NH1 ASP 92.A O no hydrogen 2.803 N/A ARG 142.A NH1 ARG 94.A O no hydrogen 2.819 N/A ARG 142.A NH2 ARG 94.A O no hydrogen 3.120 N/A ARG 142.A NH2 GLU 134.A OE1 no hydrogen 2.879 N/A LEU 143.A N ILE 139.A O no hydrogen 3.036 N/A SER 144.A N GLY 140.A O no hydrogen 2.886 N/A SER 144.A OG GLY 140.A O no hydrogen 2.837 N/A SER 144.A OG ARG 216.A O.A no hydrogen 3.133 N/A SER 144.A OG ARG 216.A O.B no hydrogen 3.137 N/A ARG 145.A N LEU 141.A O no hydrogen 3.021 N/A ARG 145.A NE ASP 92.A OD2 no hydrogen 3.105 N/A ARG 145.A NH2 ASP 92.A OD1 no hydrogen 2.904 N/A ALA 146.A N ARG 142.A O no hydrogen 3.165 N/A ILE 147.A N LEU 143.A O no hydrogen 2.872 N/A ALA 148.A N SER 144.A O no hydrogen 2.967 N/A ARG 149.A N ARG 145.A O no hydrogen 3.128 N/A ARG 149.A NH1 ASP 90.A OD2 no hydrogen 2.777 N/A ARG 149.A NH1 ASP 92.A OD2 no hydrogen 2.938 N/A ILE 150.A N ALA 146.A O no hydrogen 2.989 N/A GLN 151.A N ILE 147.A O no hydrogen 2.845 N/A ASN 152.A N ALA 148.A O no hydrogen 3.016 N/A LEU 153.A N ARG 149.A O no hydrogen 3.043 N/A HIS 154.A N ILE 150.A O no hydrogen 2.885 N/A HIS 154.A ND1 TYR 236.A OH no hydrogen 2.694 N/A ARG 155.A N GLN 151.A O no hydrogen 2.888 N/A ARG 155.A NH2 ASP 242.A OD1 no hydrogen 3.142 N/A LYS 156.A N ASN 152.A O no hydrogen 3.060 N/A HIS 157.A N LEU 153.A O no hydrogen 2.892 N/A HIS 157.A ND1 SER 164.A OG no hydrogen 2.717 N/A GLN 158.A N HIS 154.A O no hydrogen 2.865 N/A GLN 158.A NE2 HIS 239.A O no hydrogen 2.820 N/A SER 159.A N ARG 155.A O no hydrogen 3.023 N/A SER 159.A OG LYS 156.A O no hydrogen 2.705 N/A GLU 160.A N LYS 156.A O no hydrogen 3.075 N/A GLY 161.A N GLN 158.A O no hydrogen 2.951 N/A ARG 162.A N HIS 157.A O no hydrogen 3.011 N/A ARG 162.A NE GLU 160.A OE1 no hydrogen 3.285 N/A ARG 162.A NH1 GLU 160.A OE1 no hydrogen 2.865 N/A SER 164.A OG THR 56.A OG1 no hydrogen 2.820 N/A SER 164.A OG HIS 157.A ND1 no hydrogen 2.717 N/A ASP 165.A N ASN 54.A O no hydrogen 2.849 N/A ILE 166.A N ARG 5.A O no hydrogen 2.873 N/A PHE 168.A N PHE 59.A O no hydrogen 2.874 N/A ALA 169.A N VAL 9.A O no hydrogen 3.053 N/A HIS 170.A NE2 SER 61.A OG no hydrogen 2.714 N/A HIS 172.A N GLU 95.A OE2 no hydrogen 2.904 N/A HIS 172.A ND1 TYR 98.A OH no hydrogen 2.659 N/A ALA 173.A N GLU 95.A OE1 no hydrogen 2.800 N/A LEU 174.A N HIS 170.A O no hydrogen 2.765 N/A ARG 175.A N GLY 171.A O no hydrogen 3.272 N/A ARG 175.A NE GLY 171.A O no hydrogen 2.984 N/A ARG 175.A NH1 PHE 224.A O no hydrogen 3.338 N/A TYR 176.A N HIS 172.A O no hydrogen 2.917 N/A TYR 176.A OH THR 136.A OG1 no hydrogen 2.783 N/A PHE 177.A N ALA 173.A O no hydrogen 2.854 N/A ALA 178.A N LEU 174.A O no hydrogen 2.940 N/A ALA 179.A N ARG 175.A O no hydrogen 3.022 N/A ILE 180.A N TYR 176.A O no hydrogen 3.001 N/A TRP 181.A N PHE 177.A O no hydrogen 2.944 N/A TRP 181.A NE1 SER 235.A O no hydrogen 2.975 N/A GLY 183.A N ILE 180.A O no hydrogen 3.174 N/A LEU 184.A N ALA 179.A O no hydrogen 2.987 N/A VAL 186.A N HIS 217.A O no hydrogen 2.841 N/A GLN 187.A NE2.B SER 214.A OG no hydrogen 2.842 N/A LYS 188.A N TYR 215.A O no hydrogen 2.746 N/A LYS 188.A NZ LYS 189.A O no hydrogen 2.913 N/A LYS 188.A NZ GLU 191.A OE1 no hydrogen 2.743 N/A LYS 188.A NZ GLU 195.A OE1 no hydrogen 3.071 N/A LYS 188.A NZ GLU 195.A OE2 no hydrogen 3.012 N/A CYS 190.A N GLU 213.A O.A no hydrogen 2.870 N/A CYS 190.A N GLU 213.A O.B no hydrogen 2.832 N/A CYS 190.A SG GLU 195.A O no hydrogen 3.595 N/A CYS 190.A SG LEU 212.A O no hydrogen 3.723 N/A GLU 191.A N GLU 195.A OE1 no hydrogen 2.791 N/A THR 192.A N GLU 195.A OE1 no hydrogen 2.951 N/A GLU 195.A N THR 192.A OG1 no hydrogen 3.137 N/A ILE 196.A N THR 192.A O no hydrogen 3.097 N/A ILE 196.A N ILE 193.A O no hydrogen 3.329 N/A GLN 197.A N ILE 193.A O no hydrogen 3.131 N/A LYS 200.A N ASN 198.A OD1 no hydrogen 2.896 N/A SER 201.A OG ASP 90.A OD1 no hydrogen 2.717 N/A TYR 202.A OH VAL 207.A O no hydrogen 2.773 N/A THR 206.A N ASP 204.A OD1 no hydrogen 2.856 N/A THR 206.A OG1 TYR 57.A OH no hydrogen 2.874 N/A THR 206.A OG1 ASP 204.A OD1 no hydrogen 2.619 N/A VAL 207.A N ASP 204.A O no hydrogen 3.083 N/A LYS 211.A NZ GLU 213.A OE2.A no hydrogen 2.880 N/A TYR 215.A N LYS 188.A O no hydrogen 2.855 N/A TYR 215.A OH GLU 195.A OE2 no hydrogen 2.645 N/A ARG 216.A N.A SER 144.A OG no hydrogen 3.018 N/A ARG 216.A N.B SER 144.A OG no hydrogen 3.035 N/A ARG 216.A NE.A LEU 184.A O no hydrogen 2.758 N/A ARG 216.A NE.B LEU 184.A O no hydrogen 3.229 N/A ARG 216.A NH1.A GLN 187.A OE1.B no hydrogen 2.719 N/A ARG 216.A NH1.B GLN 187.A OE1.B no hydrogen 2.816 N/A ARG 216.A NH2.A GLY 183.A O no hydrogen 3.017 N/A ARG 216.A NH2.B LEU 184.A O no hydrogen 3.278 N/A HIS 217.A N VAL 186.A O no hydrogen 3.030 N/A HIS 217.A ND1 LEU 218.A O no hydrogen 2.890 N/A LEU 218.A N TYR 176.A OH no hydrogen 2.856 N/A ASN 221.A N ASP 220.A OD1 no hydrogen 2.691 N/A CYS 223.A N ASN 221.A OD1 no hydrogen 2.876 N/A CYS 223.A SG ASN 221.A O no hydrogen 3.580 N/A ALA 228.A N ASP 227.A OD1.A no hydrogen 2.795 N/A GLY 229.A N ARG 10.A O no hydrogen 3.001 N/A GLY 229.A N HIS 11.A O no hydrogen 3.061 N/A GLY 230.A N ASP 227.A O.A no hydrogen 2.680 N/A GLY 230.A N ASP 227.A O.B no hydrogen 2.961 N/A GLY 232.A N ILE 8.A O no hydrogen 2.898 N/A LEU 234.A N CYS 6.A O no hydrogen 2.846 N/A SER 235.A N ALA 245.A O no hydrogen 2.862 N/A SER 235.A OG PRO 4.A O no hydrogen 2.668 N/A TYR 236.A OH HIS 154.A ND1 no hydrogen 2.694 N/A ALA 237.A N GLU 243.A O no hydrogen 2.856 N/A HIS 238.A ND1 GLU 243.A OE1 no hydrogen 2.667 N/A ASN 240.A N ALA 237.A O no hydrogen 2.985 N/A ASN 240.A ND2 GLU 243.A OE2 no hydrogen 2.792 N/A ASP 242.A N ASN 240.A OD1 no hydrogen 2.984 N/A GLU 243.A N ASN 240.A O no hydrogen 2.826 N/A ALA 245.A N SER 235.A O no hydrogen 2.849 N/A GLU 247.A N VAL 233.A O no hydrogen 3.037 N/A ALA 249.A N GLU 247.A OE2 no hydrogen 3.089 N/A GLY 250.A N GLU 247.A O no hydrogen 3.228 N/A PHE 252.A N ALA 249.A O no hydrogen 2.969 N/A