Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pxs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 4.A N SER 1.A O no hydrogen 3.091 N/A LEU 5.A N LYS 2.A O no hydrogen 3.045 N/A THR 6.A OG1 GLU 8.A O no hydrogen 3.102 N/A MET 9.A N GLY 32.A O no hydrogen 2.780 N/A THR 10.A N ASN 112.A O no hydrogen 3.314 N/A MET 11.A N GLY 30.A O no hydrogen 3.047 N/A LYS 12.A N MET 114.A O no hydrogen 2.915 N/A TYR 13.A N GLY 28.A O no hydrogen 3.070 N/A ARG 14.A N HIS 116.A O no hydrogen 2.965 N/A ARG 14.A NE GLU 16.A OE1 no hydrogen 2.805 N/A ARG 14.A NH2 GLU 16.A OE1 no hydrogen 2.639 N/A MET 15.A N ILE 26.A O no hydrogen 2.770 N/A GLU 16.A N SER 118.A O no hydrogen 3.102 N/A GLY 17.A N PHE 24.A O no hydrogen 3.194 N/A CYS 18.A N PHE 120.A O no hydrogen 2.894 N/A VAL 19.A N HIS 22.A O no hydrogen 3.026 N/A ASP 20.A N GLY 122.A O no hydrogen 3.054 N/A HIS 22.A N VAL 19.A O no hydrogen 2.818 N/A HIS 22.A NE2 GLY 48.A O no hydrogen 2.484 N/A PHE 24.A N GLY 17.A O no hydrogen 3.003 N/A VAL 25.A N GLU 47.A O no hydrogen 3.000 N/A ILE 26.A N MET 15.A O no hydrogen 2.911 N/A THR 27.A N CYS 44.A O no hydrogen 3.015 N/A GLY 28.A N TYR 13.A O no hydrogen 3.257 N/A GLU 29.A N ASN 42.A O no hydrogen 3.082 N/A GLY 30.A N MET 11.A O no hydrogen 2.755 N/A ILE 31.A N ALA 40.A O no hydrogen 3.011 N/A GLY 32.A N MET 9.A O no hydrogen 2.890 N/A TYR 33.A N LYS 38.A O no hydrogen 2.795 N/A TYR 33.A OH GLU 8.A OE1 no hydrogen 3.069 N/A LYS 36.A N TYR 33.A O no hydrogen 3.061 N/A GLY 37.A N PRO 34.A O no hydrogen 3.297 N/A LYS 38.A N TYR 33.A O no hydrogen 3.412 N/A GLN 39.A N GLU 215.A O no hydrogen 3.139 N/A ALA 40.A N ILE 31.A O no hydrogen 3.028 N/A ILE 41.A N LEU 213.A O no hydrogen 2.741 N/A ASN 42.A N GLU 29.A O no hydrogen 2.854 N/A ASN 42.A ND2 GLU 29.A OE2 no hydrogen 2.880 N/A LEU 43.A N TRP 211.A O no hydrogen 2.910 N/A CYS 44.A N THR 27.A O no hydrogen 2.734 N/A CYS 44.A SG VAL 45.A O no hydrogen 3.891 N/A VAL 45.A N GLN 209.A O no hydrogen 2.889 N/A VAL 46.A N VAL 25.A O no hydrogen 2.763 N/A GLU 47.A N VAL 25.A O no hydrogen 3.164 N/A LEU 51.A N GLN 209.A OE1 no hydrogen 2.769 N/A ALA 54.A N VAL 131.A O no hydrogen 2.804 N/A ILE 57.A N ALA 54.A O no hydrogen 3.252 N/A LEU 58.A N GLU 55.A O no hydrogen 3.147 N/A SER 59.A N ASP 56.A O no hydrogen 3.203 N/A SER 59.A OG ASP 56.A O no hydrogen 3.476 N/A ALA 61.A N LEU 58.A O no hydrogen 3.041 N/A PHE 62.A N SER 59.A O no hydrogen 3.187 N/A ARG 64.A N TYR 85.A OH no hydrogen 2.783 N/A ARG 64.A NE THR 67.A OG1 no hydrogen 2.875 N/A ARG 64.A NH1 GLU 215.A OE2 no hydrogen 3.343 N/A ARG 64.A NH2 PHE 66.A O no hydrogen 3.237 N/A ARG 64.A NH2 THR 67.A OG1 no hydrogen 3.206 N/A ARG 64.A NH2 GLU 215.A OE1 no hydrogen 3.534 N/A ARG 64.A NH2 GLU 215.A OE2 no hydrogen 2.942 N/A VAL 65.A N ASN 63.A OD1 no hydrogen 3.124 N/A PHE 66.A N ASN 63.A O no hydrogen 3.043 N/A THR 67.A OG1 ARG 64.A O no hydrogen 2.761 N/A GLU 68.A N ALA 217.A O no hydrogen 2.874 N/A TYR 69.A OH HIS 192.A NE2 no hydrogen 2.577 N/A ILE 73.A N PRO 70.A O no hydrogen 3.201 N/A TYR 76.A OH GLY 153.A O no hydrogen 2.646 N/A LYS 78.A N ASP 75.A OD1 no hydrogen 2.888 N/A LYS 78.A NZ PRO 34.A O no hydrogen 3.175 N/A LYS 78.A NZ THR 67.A O no hydrogen 2.737 N/A LYS 78.A NZ ASP 75.A OD2 no hydrogen 3.033 N/A ASN 79.A N ASP 75.A O no hydrogen 2.979 N/A SER 80.A N PHE 77.A O no hydrogen 3.158 N/A SER 80.A OG PHE 77.A O no hydrogen 2.756 N/A CYS 81.A N LYS 78.A O no hydrogen 2.881 N/A CYS 81.A SG PHE 77.A O no hydrogen 3.636 N/A GLY 84.A N SER 80.A O no hydrogen 2.882 N/A TYR 85.A N ILE 105.A O no hydrogen 3.269 N/A THR 86.A N LYS 180.A O no hydrogen 2.883 N/A TRP 87.A N ALA 103.A O no hydrogen 3.034 N/A ASP 88.A N VAL 178.A O no hydrogen 3.008 N/A ARG 89.A N CYS 101.A O.A no hydrogen 2.794 N/A ARG 89.A N CYS 101.A O.B no hydrogen 2.813 N/A ARG 89.A NE THR 177.A OG1 no hydrogen 2.703 N/A ARG 89.A NH1 ALA 60.A O no hydrogen 2.723 N/A ARG 89.A NH2 TYR 179.A OH no hydrogen 3.334 N/A SER 90.A N ASP 176.A O no hydrogen 2.919 N/A PHE 91.A N CYS 99.A O no hydrogen 2.770 N/A LEU 92.A N GLN 174.A O no hydrogen 2.857 N/A PHE 93.A N ALA 97.A O no hydrogen 3.048 N/A GLU 94.A N ARG 172.A O no hydrogen 2.895 N/A GLY 96.A N PHE 93.A O no hydrogen 3.126 N/A ALA 97.A N ASP 95.A OD1 no hydrogen 2.992 N/A VAL 98.A N VAL 123.A O no hydrogen 3.086 N/A CYS 99.A N PHE 91.A O no hydrogen 2.919 N/A ILE 100.A N TYR 121.A O no hydrogen 2.824 N/A CYS 101.A N.A ARG 89.A O no hydrogen 2.959 N/A CYS 101.A N.B ARG 89.A O no hydrogen 2.944 N/A CYS 101.A SG.B ASN 102.A O no hydrogen 3.579 N/A CYS 101.A SG.B LYS 119.A O no hydrogen 3.079 N/A ASN 102.A N LYS 119.A O no hydrogen 3.022 N/A ALA 103.A N TRP 87.A O no hydrogen 3.012 N/A ASP 104.A N GLU 117.A O no hydrogen 2.779 N/A ILE 105.A N TYR 85.A O no hydrogen 2.912 N/A THR 106.A N TYR 115.A O no hydrogen 2.956 N/A THR 106.A OG1 ALA 83.A O no hydrogen 2.676 N/A VAL 107.A N PRO 82.A O no hydrogen 2.914 N/A SER 108.A N CYS 113.A O no hydrogen 2.919 N/A GLU 111.A N SER 108.A OG no hydrogen 3.153 N/A ASN 112.A N VAL 109.A O no hydrogen 3.061 N/A ASN 112.A ND2 THR 6.A OG1 no hydrogen 2.575 N/A CYS 113.A N SER 108.A O no hydrogen 3.150 N/A CYS 113.A SG THR 10.A O no hydrogen 3.649 N/A CYS 113.A SG THR 10.A OG1 no hydrogen 3.617 N/A CYS 113.A SG MET 114.A O no hydrogen 3.790 N/A MET 114.A N THR 10.A O no hydrogen 2.879 N/A TYR 115.A N THR 106.A O no hydrogen 2.790 N/A TYR 115.A OH GLU 111.A OE1 no hydrogen 2.362 N/A HIS 116.A N LYS 12.A O no hydrogen 2.954 N/A GLU 117.A N ASP 104.A O no hydrogen 3.061 N/A SER 118.A N ARG 14.A O no hydrogen 2.995 N/A LYS 119.A N ASN 102.A O no hydrogen 2.886 N/A PHE 120.A N GLU 16.A O no hydrogen 2.915 N/A TYR 121.A N ILE 100.A O no hydrogen 2.908 N/A GLY 122.A N CYS 18.A O no hydrogen 3.021 N/A VAL 123.A N VAL 98.A O no hydrogen 2.816 N/A PHE 125.A N ASP 20.A OD1 no hydrogen 3.150 N/A GLY 129.A N PRO 126.A O no hydrogen 2.750 N/A LYS 133.A N GLY 129.A O no hydrogen 2.944 N/A LYS 134.A N VAL 131.A O no hydrogen 3.203 N/A LYS 134.A NZ LEU 51.A O no hydrogen 2.394 N/A MET 135.A N PRO 130.A O no hydrogen 2.788 N/A THR 136.A OG1 ASP 56.A OD2 no hydrogen 2.690 N/A ASP 137.A N LEU 164.A O no hydrogen 2.654 N/A ASN 138.A N ASP 56.A OD2 no hydrogen 2.744 N/A ASN 138.A ND2 LEU 198.A O no hydrogen 2.851 N/A TRP 139.A NE1 ASP 56.A O no hydrogen 2.535 N/A GLU 140.A N TYR 162.A O no hydrogen 2.920 N/A SER 142.A N HIS 196.A O no hydrogen 3.193 N/A GLU 144.A N ILE 194.A O no hydrogen 2.773 N/A LYS 145.A N ASP 158.A O no hydrogen 2.943 N/A ILE 146.A N HIS 192.A O no hydrogen 2.763 N/A ILE 147.A N LYS 156.A O no hydrogen 2.764 N/A VAL 149.A N ILE 154.A O no hydrogen 2.892 N/A GLN 152.A N VAL 149.A O no hydrogen 3.087 N/A GLY 153.A N VAL 149.A O no hydrogen 3.109 N/A LEU 155.A N TYR 179.A O no hydrogen 2.978 N/A LYS 156.A N ILE 147.A O no hydrogen 2.790 N/A LYS 156.A NZ THR 177.A O no hydrogen 3.371 N/A GLY 157.A N THR 177.A O no hydrogen 2.984 N/A ASP 158.A N LYS 145.A O no hydrogen 2.947 N/A VAL 159.A N PHE 175.A O no hydrogen 3.291 N/A MET 161.A N CYS 173.A O no hydrogen 2.658 N/A LEU 163.A N LEU 171.A O no hydrogen 2.880 N/A LEU 164.A N ASN 138.A O no hydrogen 2.847 N/A LEU 165.A N GLY 169.A O no hydrogen 2.891 N/A LYS 166.A N MET 135.A O no hydrogen 2.889 N/A LYS 166.A NZ LYS 134.A O no hydrogen 2.862 N/A GLY 168.A N LEU 165.A O no hydrogen 3.022 N/A GLY 169.A N ASP 167.A OD1 no hydrogen 2.804 N/A ARG 170.A NH1 GLU 140.A OE1 no hydrogen 2.930 N/A ARG 170.A NH2 GLU 140.A OE1 no hydrogen 3.471 N/A ARG 170.A NH2 GLU 140.A OE2 no hydrogen 2.661 N/A LEU 171.A N LEU 163.A O no hydrogen 2.904 N/A ARG 172.A N GLU 94.A OE1 no hydrogen 2.767 N/A CYS 173.A N MET 161.A O no hydrogen 2.829 N/A GLN 174.A N LEU 92.A O no hydrogen 3.020 N/A GLN 174.A NE2 ASP 158.A OD1 no hydrogen 3.010 N/A GLN 174.A NE2 ASP 176.A OD1 no hydrogen 3.173 N/A GLN 174.A NE2 ASP 176.A OD2 no hydrogen 3.533 N/A PHE 175.A N VAL 159.A O no hydrogen 2.939 N/A ASP 176.A N SER 90.A O no hydrogen 2.983 N/A THR 177.A N GLY 157.A O no hydrogen 2.847 N/A VAL 178.A N ASP 88.A O no hydrogen 2.801 N/A TYR 179.A N LEU 155.A O no hydrogen 2.877 N/A TYR 179.A OH GLU 144.A OE2 no hydrogen 2.533 N/A LYS 180.A N THR 86.A O no hydrogen 2.867 N/A ALA 181.A N TYR 76.A OH no hydrogen 2.741 N/A LYS 182.A N GLY 84.A O no hydrogen 3.199 N/A LYS 182.A NZ ALA 83.A O no hydrogen 2.930 N/A LYS 182.A NZ ASP 104.A OD1 no hydrogen 3.346 N/A LYS 182.A NZ ASP 104.A OD2 no hydrogen 3.044 N/A LYS 182.A NZ ILE 105.A O no hydrogen 3.092 N/A HIS 192.A N ILE 146.A O no hydrogen 3.024 N/A HIS 192.A ND1 ASP 190.A O no hydrogen 2.906 N/A HIS 192.A NE2 TYR 69.A OH no hydrogen 2.577 N/A PHE 193.A N SER 220.A O no hydrogen 2.792 N/A ILE 194.A N GLU 144.A O no hydrogen 2.777 N/A GLN 195.A N ILE 218.A O no hydrogen 2.926 N/A HIS 196.A N SER 142.A O no hydrogen 3.028 N/A HIS 196.A ND1 GLU 215.A OE2 no hydrogen 2.700 N/A HIS 196.A NE2 GLU 144.A OE1 no hydrogen 2.769 N/A LYS 197.A N HIS 216.A O no hydrogen 2.840 N/A THR 199.A N THR 214.A O no hydrogen 2.976 N/A THR 199.A OG1 THR 214.A OG1 no hydrogen 2.751 N/A ARG 200.A NE ASP 56.A OD1 no hydrogen 2.739 N/A ARG 200.A NH2 ASP 56.A OD1 no hydrogen 3.448 N/A ARG 200.A NH2 ASP 56.A OD2 no hydrogen 3.273 N/A GLU 201.A N HIS 212.A O no hydrogen 2.861 N/A ARG 203.A N LYS 210.A O no hydrogen 2.793 N/A ARG 203.A NE GLU 201.A OE2 no hydrogen 2.554 N/A ARG 203.A NH2 GLU 201.A OE2 no hydrogen 2.923 N/A SER 204.A N ASP 202.A OD2 no hydrogen 3.009 N/A SER 204.A OG ASP 202.A OD1 no hydrogen 2.502 N/A SER 204.A OG ASP 202.A OD2 no hydrogen 3.506 N/A SER 204.A OG LYS 210.A O no hydrogen 3.171 N/A ASP 205.A N ASN 208.A O no hydrogen 3.052 N/A LYS 207.A N ASP 205.A OD1 no hydrogen 2.689 N/A ASN 208.A N ASP 205.A OD1 no hydrogen 3.181 N/A GLN 209.A NE2 GLU 55.A OE2 no hydrogen 3.050 N/A LYS 210.A N SER 204.A OG no hydrogen 3.018 N/A LYS 210.A NZ ASP 205.A OD2 no hydrogen 3.205 N/A TRP 211.A N LEU 43.A O no hydrogen 3.182 N/A HIS 212.A N GLU 201.A O no hydrogen 2.854 N/A HIS 212.A ND1 ASN 42.A OD1 no hydrogen 2.666 N/A LEU 213.A N ILE 41.A O no hydrogen 2.834 N/A THR 214.A N THR 199.A O no hydrogen 2.852 N/A THR 214.A OG1 THR 199.A OG1 no hydrogen 2.751 N/A GLU 215.A N GLN 39.A O no hydrogen 3.136 N/A HIS 216.A N LYS 197.A O no hydrogen 2.797 N/A ALA 217.A N GLY 37.A O no hydrogen 2.966 N/A ILE 218.A N GLN 195.A O no hydrogen 3.043 N/A ALA 219.A N GLU 68.A O no hydrogen 2.831 N/A SER 220.A N PHE 193.A O no hydrogen 2.802 N/A LEU 224.A N SER 222.A OG no hydrogen 3.088 N/A