Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e5t_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 35.A OH no hydrogen 2.430 N/A ASN 2.A ND2 LYS 78.A O no hydrogen 2.846 N/A ASN 2.A ND2 PHE 81.A O no hydrogen 2.964 N/A LEU 4.A N ASN 2.A OD1 no hydrogen 2.915 N/A ILE 5.A N ASN 2.A O no hydrogen 2.896 N/A MET 9.A N GLY 32.A O no hydrogen 3.033 N/A MET 11.A N GLY 30.A O no hydrogen 3.089 N/A MET 12.A N LEU 112.A O no hydrogen 2.888 N/A VAL 13.A N GLY 28.A O no hydrogen 2.901 N/A VAL 14.A N TYR 114.A O no hydrogen 3.022 N/A MET 15.A N CYS 26.A O no hydrogen 2.936 N/A GLU 16.A N ALA 116.A O no hydrogen 3.015 N/A GLY 17.A N PHE 24.A O no hydrogen 3.281 N/A SER 18.A N VAL 118.A O no hydrogen 3.210 N/A VAL 19.A N.A TYR 22.A O.A no hydrogen 3.255 N/A VAL 19.A N.A TYR 22.A O.B no hydrogen 2.906 N/A VAL 19.A N.B TYR 22.A O.A no hydrogen 3.211 N/A VAL 19.A N.B TYR 22.A O.B no hydrogen 2.886 N/A ASN 20.A N.A GLY 120.A O.A no hydrogen 2.497 N/A ASN 20.A N.B GLY 120.A O.A no hydrogen 2.040 N/A ASN 20.A N.B GLY 120.A O.B no hydrogen 3.062 N/A ASN 20.A ND2.A PHE 123.A O.A no hydrogen 2.999 N/A ASN 20.A ND2.A PHE 123.A O.B no hydrogen 3.572 N/A ASN 20.A ND2.B PHE 123.A O.A no hydrogen 3.191 N/A ASN 20.A ND2.B PHE 123.A O.B no hydrogen 2.921 N/A TYR 22.A N.A VAL 19.A O.A no hydrogen 2.920 N/A TYR 22.A N.A VAL 19.A O.B no hydrogen 2.849 N/A TYR 22.A N.B VAL 19.A O.A no hydrogen 2.946 N/A TYR 22.A N.B VAL 19.A O.B no hydrogen 2.769 N/A TYR 22.A OH.A GLY 48.A O no hydrogen 2.622 N/A TYR 22.A OH.B GLY 48.A O no hydrogen 2.760 N/A PHE 24.A N GLY 17.A O no hydrogen 2.982 N/A LYS 25.A N GLU 47.A O no hydrogen 3.091 N/A CYS 26.A N MET 15.A O no hydrogen 2.836 N/A THR 27.A N LYS 44.A O no hydrogen 2.978 N/A GLY 28.A N VAL 13.A O no hydrogen 2.923 N/A GLU 29.A N ARG 42.A O no hydrogen 2.977 N/A GLY 30.A N MET 11.A O no hydrogen 2.919 N/A ASP 31.A N THR 40.A O no hydrogen 2.996 N/A GLY 32.A N MET 9.A O no hydrogen 2.944 N/A ASN 33.A N THR 38.A O no hydrogen 2.902 N/A TYR 35.A OH ILE 5.A O no hydrogen 2.702 N/A MET 36.A N ASN 33.A O no hydrogen 3.014 N/A THR 38.A N ASN 33.A O no hydrogen 3.474 N/A GLN 39.A N GLU 212.A O no hydrogen 3.181 N/A GLN 39.A NE2 SER 63.A OG no hydrogen 2.573 N/A THR 40.A N ASP 31.A O no hydrogen 2.906 N/A THR 40.A OG1 HIS 211.A ND1 no hydrogen 3.372 N/A MET 41.A N GLN 210.A O no hydrogen 2.879 N/A ARG 42.A N GLU 29.A O no hydrogen 2.842 N/A ARG 42.A NE GLU 29.A OE2 no hydrogen 2.882 N/A ARG 42.A NH2 GLU 29.A OE1 no hydrogen 2.910 N/A ARG 42.A NH2 ASP 31.A OD2 no hydrogen 2.961 N/A ILE 43.A N VAL 208.A O no hydrogen 2.787 N/A LYS 44.A N THR 27.A O no hydrogen 2.817 N/A VAL 45.A N MET 206.A O no hydrogen 2.930 N/A VAL 46.A N LYS 25.A O no hydrogen 2.872 N/A GLU 47.A N LYS 25.A O no hydrogen 3.171 N/A ALA 54.A N VAL 129.A O.A no hydrogen 2.782 N/A ALA 54.A N VAL 129.A O.B no hydrogen 3.159 N/A PHE 55.A N GLU 205.A OE1 no hydrogen 3.009 N/A ILE 57.A N ALA 54.A O no hydrogen 3.221 N/A LEU 58.A N PHE 55.A O no hydrogen 2.810 N/A ALA 59.A N ASP 56.A O no hydrogen 3.231 N/A SER 61.A N LEU 58.A O no hydrogen 3.018 N/A SER 63.A OG TYR 114.A OH no hydrogen 2.591 N/A LYS 64.A NZ TYR 175.A OH no hydrogen 3.271 N/A PHE 66.A N SER 63.A O no hydrogen 3.467 N/A LYS 68.A N ALA 214.A O no hydrogen 2.964 N/A HIS 69.A ND1 ILE 67.A O no hydrogen 3.004 N/A THR 70.A N ALA 216.A O no hydrogen 3.092 N/A THR 70.A OG1 ALA 216.A O no hydrogen 2.664 N/A ILE 73.A N THR 70.A O no hydrogen 3.227 N/A PHE 77.A N ASP 75.A OD1 no hydrogen 3.173 N/A LYS 78.A N ASP 75.A OD1 no hydrogen 2.931 N/A LYS 78.A NZ PRO 34.A O no hydrogen 3.152 N/A LYS 78.A NZ THR 65.A O no hydrogen 2.888 N/A LYS 78.A NZ ILE 67.A O no hydrogen 2.867 N/A LYS 78.A NZ ASP 75.A OD2 no hydrogen 2.798 N/A GLN 79.A N ASP 75.A O no hydrogen 3.118 N/A GLN 79.A NE2 ASP 75.A O no hydrogen 3.057 N/A GLN 79.A NE2 LYS 185.A O no hydrogen 2.842 N/A SER 80.A N PHE 77.A O no hydrogen 3.077 N/A SER 80.A OG PHE 77.A O no hydrogen 2.791 N/A GLU 83.A N GLU 83.A OE2 no hydrogen 2.744 N/A GLY 84.A N SER 80.A O no hydrogen 2.917 N/A PHE 85.A N THR 105.A O no hydrogen 3.125 N/A THR 86.A N ARG 176.A O no hydrogen 2.868 N/A TRP 87.A N GLN 103.A O no hydrogen 3.021 N/A GLU 88.A N THR 174.A O no hydrogen 2.993 N/A ARG 89.A N VAL 101.A O no hydrogen 3.047 N/A ARG 89.A NE THR 173.A OG1 no hydrogen 2.857 N/A ARG 89.A NH1 THR 60.A O no hydrogen 2.845 N/A ARG 89.A NH2 TYR 175.A OH no hydrogen 3.269 N/A VAL 90.A N GLU 172.A O no hydrogen 3.347 N/A THR 91.A N PHE 99.A O.A no hydrogen 2.867 N/A THR 91.A N PHE 99.A O.B no hydrogen 2.984 N/A ARG 92.A N SER 170.A O no hydrogen 2.853 N/A TYR 93.A N.A GLY 97.A O.A no hydrogen 2.856 N/A TYR 93.A N.A GLY 97.A O.B no hydrogen 2.939 N/A TYR 93.A N.B GLY 97.A O.A no hydrogen 2.835 N/A TYR 93.A N.B GLY 97.A O.B no hydrogen 2.930 N/A GLU 94.A N.A SER 168.A O no hydrogen 2.903 N/A GLU 94.A N.B SER 168.A O no hydrogen 3.025 N/A GLY 96.A N.A TYR 93.A O.A no hydrogen 3.124 N/A GLY 96.A N.B TYR 93.A O.A no hydrogen 2.789 N/A GLY 96.A N.B TYR 93.A O.B no hydrogen 3.094 N/A GLY 97.A N.A ASP 95.A OD1.B no hydrogen 2.921 N/A VAL 98.A N.A THR 121.A O.A no hydrogen 2.915 N/A VAL 98.A N.A THR 121.A O.B no hydrogen 2.761 N/A VAL 98.A N.B THR 121.A O.B no hydrogen 2.908 N/A PHE 99.A N.A THR 91.A O no hydrogen 3.087 N/A PHE 99.A N.B THR 91.A O no hydrogen 2.702 N/A THR 100.A N THR 119.A O no hydrogen 2.854 N/A VAL 101.A N ARG 89.A O no hydrogen 2.911 N/A MET 102.A N LYS 117.A O no hydrogen 3.013 N/A GLN 103.A N TRP 87.A O no hydrogen 2.832 N/A ASP 104.A N HIS 115.A O no hydrogen 2.894 N/A THR 105.A N PHE 85.A O no hydrogen 2.856 N/A THR 105.A OG1 GLN 103.A OE1 no hydrogen 2.703 N/A SER 106.A N VAL 113.A O no hydrogen 2.907 N/A SER 106.A OG.A VAL 113.A O no hydrogen 3.373 N/A SER 106.A OG.B ASP 104.A OD1 no hydrogen 2.861 N/A GLU 108.A N CYS 111.A O no hydrogen 2.938 N/A CYS 111.A N GLU 108.A O no hydrogen 3.037 N/A CYS 111.A SG.B LEU 112.A O no hydrogen 3.397 N/A LEU 112.A N ARG 10.A O no hydrogen 3.007 N/A VAL 113.A N SER 106.A O no hydrogen 2.868 N/A TYR 114.A N MET 12.A O no hydrogen 2.867 N/A TYR 114.A OH SER 63.A OG no hydrogen 2.591 N/A HIS 115.A N ASP 104.A O no hydrogen 3.005 N/A ALA 116.A N VAL 14.A O no hydrogen 2.883 N/A LYS 117.A N MET 102.A O no hydrogen 2.892 N/A VAL 118.A N GLU 16.A O no hydrogen 3.025 N/A THR 119.A N THR 100.A O no hydrogen 2.847 N/A GLY 120.A N.A SER 18.A O no hydrogen 2.754 N/A GLY 120.A N.B SER 18.A O no hydrogen 2.816 N/A THR 121.A N.A VAL 98.A O.A no hydrogen 2.811 N/A THR 121.A N.B VAL 98.A O.A no hydrogen 2.547 N/A THR 121.A N.B VAL 98.A O.B no hydrogen 2.763 N/A THR 121.A OG1.A ASN 20.A OD1.B no hydrogen 3.551 N/A THR 121.A OG1.A ASN 122.A OD1.B no hydrogen 3.415 N/A THR 121.A OG1.B ASN 122.A OD1.B no hydrogen 2.628 N/A PHE 123.A N.A ASN 20.A OD1.A no hydrogen 2.958 N/A PHE 123.A N.A ASN 20.A OD1.B no hydrogen 3.187 N/A PHE 123.A N.B ASN 20.A OD1.B no hydrogen 3.207 N/A GLY 127.A N.A PRO 124.A O.A no hydrogen 2.953 N/A GLY 127.A N.A SER 125.A O.B no hydrogen 3.265 N/A GLY 127.A N.B PRO 124.A O.A no hydrogen 2.528 N/A GLY 127.A N.B PRO 124.A O.B no hydrogen 3.054 N/A GLN 131.A N.A GLY 127.A O.A no hydrogen 2.933 N/A GLN 131.A N.B GLY 127.A O.B no hydrogen 3.002 N/A GLN 131.A NE2.A SER 125.A O.A no hydrogen 3.114 N/A GLN 131.A NE2.B SER 125.A O.A no hydrogen 3.095 N/A GLN 131.A NE2.B ASN 126.A OD1.B no hydrogen 3.008 N/A LYS 132.A N.A VAL 129.A O.A no hydrogen 3.293 N/A LYS 132.A N.B VAL 129.A O.B no hydrogen 3.179 N/A LYS 132.A NZ.A PHE 53.A O no hydrogen 2.600 N/A LYS 132.A NZ.A GLU 205.A OE1 no hydrogen 2.639 N/A LYS 132.A NZ.B LEU 51.A O no hydrogen 2.487 N/A LYS 133.A N.A ALA 128.A O.A no hydrogen 2.862 N/A LYS 133.A N.B ALA 128.A O.A no hydrogen 1.477 N/A LYS 133.A N.B ALA 128.A O.B no hydrogen 2.803 N/A LYS 133.A NZ.A GLN 131.A OE1.B no hydrogen 3.057 N/A LYS 133.A NZ.B GLN 131.A OE1.B no hydrogen 2.752 N/A THR 134.A OG1.A ASP 56.A OD1 no hydrogen 2.606 N/A THR 134.A OG1.B ASP 56.A OD1 no hydrogen 2.693 N/A LYS 135.A N ASN 160.A O no hydrogen 2.806 N/A GLY 136.A N ASP 56.A OD1 no hydrogen 2.992 N/A TRP 137.A NE1 ASP 56.A O no hydrogen 2.896 N/A GLU 138.A N ALA 158.A O no hydrogen 2.943 N/A ASN 140.A N HIS 194.A O no hydrogen 2.983 N/A THR 141.A OG1 ASP 193.A OD1 no hydrogen 2.771 N/A GLU 142.A N VAL 192.A O no hydrogen 2.794 N/A MET 143.A N TYR 154.A O no hydrogen 2.909 N/A LEU 144.A N HIS 190.A O no hydrogen 2.884 N/A TYR 145.A N ARG 152.A O no hydrogen 2.999 N/A ALA 147.A N GLY 150.A O no hydrogen 2.961 N/A GLY 150.A N ALA 147.A O no hydrogen 2.914 N/A LEU 151.A N TYR 175.A O no hydrogen 2.935 N/A ARG 152.A N TYR 145.A O no hydrogen 2.855 N/A ARG 152.A NH1 TYR 154.A OH no hydrogen 2.879 N/A ARG 152.A NH2 ASP 148.A OD2 no hydrogen 2.510 N/A GLY 153.A N THR 173.A O no hydrogen 2.824 N/A TYR 154.A N MET 143.A O no hydrogen 2.834 N/A TYR 154.A OH TYR 145.A OH no hydrogen 3.350 N/A SER 155.A N PHE 171.A O no hydrogen 2.918 N/A MET 157.A N CYS 169.A O no hydrogen 2.956 N/A LEU 159.A N LEU 167.A O no hydrogen 2.820 N/A ASN 160.A N GLY 136.A O no hydrogen 2.949 N/A ASN 160.A ND2 GLY 136.A O no hydrogen 2.947 N/A ASN 160.A ND2 GLU 138.A OE2 no hydrogen 3.144 N/A VAL 161.A N GLY 165.A O no hydrogen 3.037 N/A ASP 162.A N LYS 133.A O.A no hydrogen 2.704 N/A ASP 162.A N LYS 133.A O.B no hydrogen 3.167 N/A GLY 164.A N VAL 161.A O no hydrogen 3.157 N/A TYR 166.A OH GLU 138.A OE2 no hydrogen 2.700 N/A LEU 167.A N LEU 159.A O no hydrogen 2.844 N/A SER 168.A N GLU 94.A OE2.A no hydrogen 3.126 N/A SER 168.A N GLU 94.A OE2.B no hydrogen 2.736 N/A SER 168.A OG GLU 94.A OE2.B no hydrogen 2.849 N/A CYS 169.A N MET 157.A O no hydrogen 2.970 N/A CYS 169.A SG MET 157.A O no hydrogen 4.008 N/A SER 170.A N ARG 92.A O no hydrogen 2.992 N/A PHE 171.A N SER 155.A O no hydrogen 2.852 N/A GLU 172.A N VAL 90.A O no hydrogen 3.426 N/A THR 173.A N GLY 153.A O no hydrogen 2.836 N/A THR 174.A N GLU 88.A O no hydrogen 2.847 N/A TYR 175.A N LEU 151.A O no hydrogen 2.821 N/A TYR 175.A OH GLU 142.A OE2 no hydrogen 2.685 N/A ARG 176.A N THR 86.A O no hydrogen 2.906 N/A ARG 176.A NE GLU 88.A OE2.A no hydrogen 3.154 N/A ARG 176.A NH1 ASP 148.A O no hydrogen 2.917 N/A ARG 176.A NH2 ASP 148.A O no hydrogen 3.450 N/A LYS 178.A N GLY 84.A O no hydrogen 2.872 N/A LYS 178.A NZ ASP 104.A OD2 no hydrogen 2.595 N/A LYS 179.A N SER 177.A OG no hydrogen 3.022 N/A LYS 179.A NZ GLN 79.A O no hydrogen 2.799 N/A LYS 179.A NZ PHE 81.A O no hydrogen 2.967 N/A THR 180.A OG1 GLU 182.A OE2 no hydrogen 2.609 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.906 N/A ASN 183.A N THR 180.A O no hydrogen 2.872 N/A LYS 185.A N GLN 79.A OE1 no hydrogen 2.875 N/A HIS 190.A N LEU 144.A O no hydrogen 2.971 N/A HIS 190.A ND1 GLY 188.A O no hydrogen 2.835 N/A PHE 191.A N LYS 217.A O no hydrogen 2.960 N/A VAL 192.A N GLU 142.A O no hydrogen 2.893 N/A ASP 193.A N VAL 215.A O no hydrogen 2.900 N/A HIS 194.A N ASN 140.A O no hydrogen 2.879 N/A HIS 194.A ND1 GLU 212.A OE2 no hydrogen 2.677 N/A HIS 194.A NE2 GLU 142.A OE1 no hydrogen 2.793 N/A ARG 195.A N HIS 213.A O no hydrogen 2.915 N/A GLU 197.A N HIS 211.A O no hydrogen 2.850 N/A ARG 198.A NH1 GLU 201.A OE1 no hydrogen 2.889 N/A ARG 198.A NH1 GLU 205.A OE2 no hydrogen 2.819 N/A LEU 199.A N VAL 209.A O no hydrogen 2.814 N/A SER 202.A N PHE 207.A O no hydrogen 2.886 N/A SER 202.A OG ASP 203.A OD2 no hydrogen 2.812 N/A MET 206.A N ASP 203.A O no hydrogen 3.088 N/A PHE 207.A N SER 202.A O no hydrogen 3.146 N/A VAL 208.A N ILE 43.A O no hydrogen 2.934 N/A VAL 209.A N GLU 200.A O no hydrogen 2.968 N/A GLN 210.A N MET 41.A O no hydrogen 2.970 N/A GLN 210.A NE2 ALA 59.A O no hydrogen 3.058 N/A HIS 211.A N GLU 197.A O no hydrogen 2.779 N/A HIS 211.A ND1 THR 40.A OG1 no hydrogen 3.372 N/A GLU 212.A N GLN 39.A O no hydrogen 3.033 N/A HIS 213.A N ARG 195.A O no hydrogen 3.218 N/A ALA 214.A N GLY 37.A O no hydrogen 2.888 N/A VAL 215.A N ASP 193.A O no hydrogen 2.973 N/A ALA 216.A N LYS 68.A O no hydrogen 2.805 N/A LYS 217.A N PHE 191.A O no hydrogen 2.842 N/A CYS 219.A SG.B LEU 221.A O no hydrogen 4.027 N/A LEU 225.A N SER 223.A OG no hydrogen 2.966 N/A ARG 227.A N SER 223.A OG no hydrogen 3.098 N/A