Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N TYR 25.A O no hydrogen 2.795 N/A GLN 3.A N TYR 23.A O no hydrogen 2.838 N/A GLN 3.A NE2 THR 81.A O no hydrogen 2.836 N/A ALA 6.A N SER 21.A O no hydrogen 2.846 N/A TRP 8.A NE1 THR 206.A O no hydrogen 2.954 N/A TRP 8.A NE1 ASP 207.A O no hydrogen 3.119 N/A ALA 11.A N PRO 7.A O no hydrogen 3.195 N/A ARG 12.A N TRP 8.A O no hydrogen 2.791 N/A ARG 12.A NE ASP 187.A OD1 no hydrogen 2.806 N/A ARG 12.A NE ASP 187.A OD2 no hydrogen 3.445 N/A ARG 12.A NH1 ARG 12.A O no hydrogen 3.068 N/A ARG 12.A NH1 SER 15.A O no hydrogen 2.832 N/A ARG 12.A NH2 ASP 187.A OD1 no hydrogen 3.561 N/A ARG 12.A NH2 ASP 187.A OD2 no hydrogen 2.787 N/A ARG 12.A NH2 ASP 260.A OD2 no hydrogen 3.057 N/A ILE 13.A N GLY 9.A O no hydrogen 3.054 N/A SER 14.A N ALA 11.A O no hydrogen 3.101 N/A SER 14.A OG LEU 10.A O no hydrogen 3.568 N/A SER 14.A OG ALA 11.A O no hydrogen 3.132 N/A SER 14.A OG THR 22.A O no hydrogen 3.494 N/A SER 15.A N ARG 12.A O no hydrogen 3.252 N/A SER 15.A OG SER 17.A O no hydrogen 2.690 N/A SER 17.A N SER 15.A OG no hydrogen 2.919 N/A SER 17.A OG SER 15.A OG no hydrogen 3.231 N/A TYR 23.A N GLN 3.A O no hydrogen 2.896 N/A TYR 23.A OH VAL 84.A O no hydrogen 2.650 N/A TYR 24.A N SER 14.A OG no hydrogen 3.229 N/A TYR 25.A N ALA 1.A O no hydrogen 2.987 N/A ASP 26.A N TYR 236.A OH no hydrogen 2.837 N/A SER 28.A N ASP 26.A OD1 no hydrogen 2.904 N/A SER 28.A OG ASP 26.A OD1 no hydrogen 2.711 N/A ALA 29.A N ASP 26.A O no hydrogen 3.009 N/A GLN 31.A N SER 28.A O no hydrogen 2.881 N/A SER 33.A N GLY 30.A O no hydrogen 3.077 N/A SER 33.A OG GLY 30.A O no hydrogen 2.624 N/A SER 33.A OG THR 88.A OG1 no hydrogen 2.828 N/A CYS 34.A N GLY 126.A O no hydrogen 2.992 N/A CYS 34.A SG ASN 122.A O no hydrogen 3.953 N/A VAL 35.A N GLN 89.A O no hydrogen 2.801 N/A TYR 36.A N VAL 128.A O no hydrogen 2.822 N/A TYR 36.A OH ASP 117.A OD2 no hydrogen 2.652 N/A VAL 37.A N PHE 91.A O no hydrogen 2.830 N/A ILE 38.A N SER 130.A O no hydrogen 3.078 N/A ASP 39.A N VAL 93.A O no hydrogen 2.918 N/A THR 40.A N ASP 39.A OD2 no hydrogen 2.711 N/A THR 40.A OG1 ASP 65.A OD1 no hydrogen 2.736 N/A GLU 43.A N THR 71.A OG1 no hydrogen 2.837 N/A HIS 46.A N GLU 43.A O no hydrogen 3.001 N/A PHE 49.A N HIS 46.A O no hydrogen 2.955 N/A GLU 50.A N PRO 47.A O no hydrogen 3.091 N/A ARG 52.A N PHE 49.A O no hydrogen 2.829 N/A ARG 52.A NE GLU 50.A OE1 no hydrogen 3.367 N/A ARG 52.A NH1 GLY 78.A O no hydrogen 2.827 N/A ARG 52.A NH1 THR 88.A O no hydrogen 2.911 N/A ARG 52.A NH2 GLU 50.A OE1 no hydrogen 2.934 N/A ARG 52.A NH2 GLY 78.A O no hydrogen 2.942 N/A GLN 54.A N LEU 90.A O no hydrogen 2.988 N/A VAL 56.A N GLY 92.A O no hydrogen 2.911 N/A LYS 57.A N GLY 92.A O no hydrogen 3.386 N/A THR 58.A OG1 TYR 60.A O no hydrogen 3.537 N/A THR 58.A OG1 SER 62.A O no hydrogen 2.777 N/A TYR 59.A N LYS 94.A O no hydrogen 3.004 N/A TYR 60.A N THR 58.A OG1 no hydrogen 3.090 N/A TYR 60.A OH VAL 95.A O no hydrogen 2.674 N/A ARG 64.A N SER 62.A OG no hydrogen 3.094 N/A GLY 66.A N ASP 98.A OD1 no hydrogen 2.845 N/A ASN 67.A N ASP 65.A OD1 no hydrogen 2.939 N/A ASN 67.A ND2 ASP 98.A O no hydrogen 2.930 N/A GLY 68.A N ASP 65.A OD1 no hydrogen 2.882 N/A HIS 69.A N ASN 67.A OD1 no hydrogen 2.953 N/A HIS 69.A ND1 ASP 39.A OD2 no hydrogen 2.667 N/A HIS 69.A NE2 SER 224.A OG no hydrogen 3.192 N/A GLY 70.A N THR 40.A OG1 no hydrogen 2.888 N/A THR 71.A N ASP 65.A OD2 no hydrogen 3.038 N/A THR 71.A OG1 ASP 65.A OD2 no hydrogen 2.665 N/A HIS 72.A N GLY 68.A O no hydrogen 2.871 N/A HIS 72.A NE2 ARG 218.A O no hydrogen 2.948 N/A CYS 73.A N HIS 69.A O no hydrogen 2.945 N/A CYS 73.A SG ASP 39.A OD1 no hydrogen 3.830 N/A CYS 73.A SG HIS 69.A O no hydrogen 3.383 N/A CYS 73.A SG SER 132.A OG no hydrogen 3.599 N/A CYS 73.A SG SER 224.A O no hydrogen 3.365 N/A ALA 74.A N GLY 70.A O no hydrogen 2.849 N/A GLY 75.A N THR 71.A O no hydrogen 2.899 N/A THR 76.A N HIS 72.A O no hydrogen 3.034 N/A THR 76.A OG1 HIS 72.A O no hydrogen 3.433 N/A VAL 77.A N CYS 73.A O no hydrogen 3.036 N/A GLY 78.A N ALA 74.A O no hydrogen 2.919 N/A SER 79.A N GLY 75.A O no hydrogen 2.972 N/A SER 79.A OG GLY 75.A O no hydrogen 2.737 N/A ARG 80.A N GLU 48.A O no hydrogen 2.946 N/A ARG 80.A NE THR 81.A OG1 no hydrogen 3.018 N/A ARG 80.A NH1 THR 81.A OG1 no hydrogen 2.811 N/A THR 81.A N GLU 48.A OE1 no hydrogen 2.744 N/A THR 81.A OG1 GLU 48.A OE1 no hydrogen 3.296 N/A THR 81.A OG1 GLU 48.A OE2 no hydrogen 2.631 N/A TYR 82.A N SER 79.A OG no hydrogen 3.008 N/A GLY 83.A N SER 79.A O no hydrogen 2.977 N/A VAL 84.A N THR 76.A O no hydrogen 2.903 N/A ALA 85.A N VAL 77.A O no hydrogen 2.859 N/A LYS 86.A NZ GLN 3.A OE1 no hydrogen 2.731 N/A LYS 86.A NZ ARG 80.A O no hydrogen 2.737 N/A LYS 86.A NZ GLY 83.A O no hydrogen 2.871 N/A LYS 87.A N ALA 29.A O no hydrogen 2.793 N/A LYS 87.A NZ GLU 27.A O no hydrogen 2.852 N/A THR 88.A N ALA 85.A O no hydrogen 3.212 N/A THR 88.A OG1 SER 33.A O no hydrogen 3.162 N/A THR 88.A OG1 SER 33.A OG no hydrogen 2.828 N/A THR 88.A OG1 GLN 89.A O no hydrogen 3.503 N/A GLN 89.A N SER 33.A O no hydrogen 3.176 N/A GLN 89.A NE2.A LEU 90.A O no hydrogen 3.087 N/A LEU 90.A N ARG 52.A O no hydrogen 2.848 N/A PHE 91.A N VAL 35.A O no hydrogen 2.896 N/A GLY 92.A N GLN 54.A O no hydrogen 2.830 N/A VAL 93.A N VAL 37.A O no hydrogen 3.075 N/A LYS 94.A N LYS 57.A O no hydrogen 2.866 N/A LYS 94.A NZ THR 40.A O no hydrogen 2.832 N/A LYS 94.A NZ LEU 96.A O no hydrogen 2.811 N/A LYS 94.A NZ ASP 98.A OD1 no hydrogen 2.726 N/A VAL 95.A N ASP 39.A O no hydrogen 2.913 N/A LEU 96.A N ASP 39.A O no hydrogen 3.012 N/A ASP 97.A N SER 101.A O no hydrogen 2.741 N/A ASN 99.A N ASP 97.A OD1 no hydrogen 2.850 N/A GLY 100.A N ASP 97.A O no hydrogen 2.839 N/A SER 101.A N ASP 97.A OD1 no hydrogen 3.037 N/A TYR 104.A OH GLY 136.A O no hydrogen 2.680 N/A ILE 107.A N GLN 103.A O no hydrogen 3.041 N/A ILE 108.A N TYR 104.A O no hydrogen 2.836 N/A ALA 109.A N SER 105.A O no hydrogen 2.998 N/A GLY 110.A N THR 106.A O no hydrogen 2.918 N/A MET 111.A N ILE 107.A O no hydrogen 3.068 N/A ASP 112.A N ILE 108.A O no hydrogen 2.979 N/A PHE 113.A N ALA 109.A O no hydrogen 2.813 N/A VAL 114.A N GLY 110.A O no hydrogen 3.068 N/A ALA 115.A N MET 111.A O no hydrogen 3.108 N/A SER 116.A N ASP 112.A O no hydrogen 3.224 N/A ASP 117.A N PHE 113.A O no hydrogen 2.732 N/A LYS 118.A N VAL 114.A O no hydrogen 3.078 N/A LYS 118.A NZ.A ALA 115.A O no hydrogen 2.768 N/A LYS 118.A NZ.A SER 151.A O no hydrogen 3.067 N/A LYS 118.A NZ.A SER 151.A OG no hydrogen 3.340 N/A LYS 118.A NZ.B SER 151.A O no hydrogen 3.046 N/A ASN 119.A N SER 116.A O no hydrogen 2.953 N/A ASN 120.A N ASP 117.A O no hydrogen 2.800 N/A ASN 120.A ND2.A ASP 117.A OD1 no hydrogen 2.857 N/A ARG 121.A N LYS 118.A O no hydrogen 3.371 N/A ARG 121.A NE ASP 117.A OD2 no hydrogen 2.818 N/A ARG 121.A NH2 ASP 117.A OD1 no hydrogen 2.963 N/A ARG 121.A NH2 ASP 117.A OD2 no hydrogen 3.387 N/A LYS 125.A N GLY 32.A O no hydrogen 2.888 N/A GLY 126.A N CYS 123.A O no hydrogen 2.926 N/A VAL 128.A N CYS 34.A O no hydrogen 2.862 N/A ALA 129.A N MET 154.A O no hydrogen 2.803 N/A SER 130.A N TYR 36.A O no hydrogen 2.829 N/A LEU 131.A N ALA 156.A O no hydrogen 2.855 N/A SER 132.A OG SER 224.A O no hydrogen 2.680 N/A GLY 135.A N SER 170.A O no hydrogen 3.069 N/A SER 138.A N SER 170.A OG no hydrogen 2.856 N/A SER 140.A OG.B SER 138.A OG no hydrogen 3.298 N/A VAL 141.A N SER 138.A OG no hydrogen 2.980 N/A ASN 142.A N SER 138.A O no hydrogen 2.987 N/A ASN 142.A ND2 SER 173.A OG no hydrogen 2.975 N/A SER 143.A N SER 139.A O no hydrogen 2.844 N/A SER 143.A OG.A SER 139.A O no hydrogen 3.041 N/A ALA 144.A N SER 140.A O no hydrogen 3.011 N/A ALA 145.A N VAL 141.A O no hydrogen 3.045 N/A ALA 146.A N ASN 142.A O no hydrogen 2.853 N/A ARG 147.A N SER 143.A O no hydrogen 2.829 N/A ARG 147.A NE ASP 112.A OD1.A no hydrogen 3.334 N/A ARG 147.A NE ASP 112.A OD1.B no hydrogen 2.942 N/A ARG 147.A NH2 ASP 112.A OD1.A no hydrogen 2.883 N/A ARG 147.A NH2 ASP 112.A OD1.B no hydrogen 3.460 N/A ARG 147.A NH2 ASP 112.A OD2.B no hydrogen 2.836 N/A LEU 148.A N ALA 144.A O no hydrogen 2.965 N/A GLN 149.A N ALA 145.A O no hydrogen 3.027 N/A GLN 149.A NE2 ALA 245.A O no hydrogen 3.167 N/A SER 150.A N ALA 146.A O no hydrogen 2.864 N/A SER 151.A N ARG 147.A O no hydrogen 2.880 N/A SER 151.A N LEU 148.A O no hydrogen 3.259 N/A SER 151.A OG LEU 148.A O no hydrogen 2.745 N/A GLY 152.A N GLN 149.A O no hydrogen 2.984 N/A MET 154.A N VAL 127.A O no hydrogen 2.902 N/A VAL 155.A N GLN 149.A OE1 no hydrogen 2.947 N/A ALA 156.A N ALA 129.A O no hydrogen 2.922 N/A VAL 157.A N CYS 178.A O no hydrogen 2.826 N/A ALA 158.A N LEU 131.A O no hydrogen 3.069 N/A ALA 159.A N VAL 180.A O no hydrogen 2.879 N/A GLY 160.A N THR 223.A OG1 no hydrogen 3.022 N/A ASN 162.A ND2.B ASN 194.A OD1 no hydrogen 2.924 N/A ASN 163.A N PHE 192.A O no hydrogen 2.956 N/A ALA 166.A N TYR 195.A O no hydrogen 2.788 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 2.865 N/A ASN 168.A N ASP 165.A O no hydrogen 3.277 N/A TYR 169.A N ALA 166.A O no hydrogen 3.080 N/A SER 170.A N GLY 135.A O no hydrogen 2.898 N/A SER 170.A OG SER 138.A O no hydrogen 3.330 N/A SER 170.A OG ASN 142.A OD1 no hydrogen 2.722 N/A SER 173.A N TYR 169.A O no hydrogen 2.858 N/A SER 173.A OG TYR 169.A O no hydrogen 2.701 N/A GLU 174.A N PRO 171.A O no hydrogen 2.969 N/A SER 176.A N GLU 174.A OE2 no hydrogen 3.017 N/A SER 176.A OG GLU 174.A OE2 no hydrogen 2.714 N/A CYS 178.A N VAL 155.A O no hydrogen 2.879 N/A THR 179.A N ASP 200.A OD2 no hydrogen 2.774 N/A THR 179.A OG1 ALA 172.A O no hydrogen 2.722 N/A VAL 180.A N VAL 157.A O no hydrogen 2.873 N/A GLY 181.A N ILE 201.A O no hydrogen 2.886 N/A ALA 182.A N SER 193.A OG no hydrogen 2.971 N/A SER 183.A N GLY 203.A O no hydrogen 2.936 N/A SER 183.A OG GLY 203.A O no hydrogen 3.389 N/A ASP 184.A N ARG 188.A O no hydrogen 2.881 N/A TYR 186.A N ASP 184.A OD1 no hydrogen 2.888 N/A ASP 187.A N ASP 184.A O no hydrogen 2.904 N/A ARG 188.A N ASP 184.A OD1 no hydrogen 2.972 N/A ARG 188.A NE ASP 184.A OD2 no hydrogen 2.802 N/A ARG 188.A NH2 ASP 184.A OD2 no hydrogen 3.064 N/A ARG 189.A N SER 262.A O no hydrogen 2.926 N/A ARG 189.A NE ASN 263.A O no hydrogen 2.830 N/A ARG 189.A NH1 ASN 163.A OD1 no hydrogen 2.777 N/A ARG 189.A NH1 SER 193.A O no hydrogen 2.762 N/A ARG 189.A NH2 ASN 163.A OD1 no hydrogen 3.236 N/A SER 190.A N ALA 182.A O no hydrogen 2.815 N/A SER 190.A OG THR 206.A OG1 no hydrogen 2.745 N/A SER 193.A N SER 190.A O no hydrogen 2.932 N/A SER 193.A OG ASN 194.A O no hydrogen 2.866 N/A ASN 194.A N GLY 160.A O no hydrogen 2.880 N/A ASN 194.A ND2 ASN 162.A OD1.A no hydrogen 3.642 N/A TYR 195.A N ALA 164.A O no hydrogen 2.972 N/A GLY 196.A N THR 268.A OG1 no hydrogen 2.775 N/A LEU 199.A N GLY 196.A O no hydrogen 3.157 N/A ASP 200.A N THR 179.A O no hydrogen 2.881 N/A PHE 202.A N LEU 271.A O no hydrogen 2.871 N/A GLY 203.A N GLY 181.A O no hydrogen 2.890 N/A GLY 205.A N SER 183.A O no hydrogen 2.812 N/A THR 206.A N SER 183.A O no hydrogen 3.159 N/A THR 206.A OG1 SER 190.A OG no hydrogen 2.745 N/A ASP 207.A N SER 221.A OG no hydrogen 2.813 N/A ILE 208.A N ILE 220.A O no hydrogen 2.908 N/A SER 210.A N ARG 218.A O no hydrogen 3.026 N/A SER 210.A OG HIS 72.A O no hydrogen 2.775 N/A THR 211.A N SER 210.A OG no hydrogen 2.746 N/A THR 211.A OG1 THR 71.A O no hydrogen 2.758 N/A TRP 212.A N SER 216.A O no hydrogen 2.896 N/A GLY 214.A N GLU 43.A OE2 no hydrogen 2.810 N/A GLY 215.A N GLU 43.A OE1 no hydrogen 2.842 N/A SER 216.A N TRP 212.A O no hydrogen 3.157 N/A SER 216.A OG.A ILE 213.A O no hydrogen 2.692 N/A SER 216.A OG.B THR 217.A O no hydrogen 3.568 N/A THR 217.A N SER 216.A OG.B no hydrogen 2.786 N/A ARG 218.A N SER 210.A O no hydrogen 2.972 N/A ILE 220.A N ILE 208.A O no hydrogen 3.168 N/A GLY 222.A N GLY 205.A O no hydrogen 2.815 N/A THR 223.A N ASN 161.A OD1 no hydrogen 2.834 N/A THR 223.A OG1 ASN 161.A OD1 no hydrogen 2.775 N/A SER 224.A OG HIS 69.A NE2 no hydrogen 3.192 N/A SER 224.A OG SER 132.A O no hydrogen 3.436 N/A MET 225.A N GLY 222.A O no hydrogen 2.929 N/A ALA 226.A N GLY 222.A O no hydrogen 3.346 N/A THR 227.A N THR 223.A O no hydrogen 3.022 N/A THR 227.A OG1 THR 223.A O no hydrogen 2.824 N/A HIS 229.A ND1 MET 225.A O no hydrogen 2.852 N/A VAL 230.A N ALA 226.A O no hydrogen 3.284 N/A ALA 231.A N THR 227.A O no hydrogen 2.888 N/A GLY 232.A N PRO 228.A O no hydrogen 2.853 N/A LEU 233.A N HIS 229.A O no hydrogen 2.877 N/A ALA 234.A N VAL 230.A O no hydrogen 2.849 N/A ALA 235.A N ALA 231.A O no hydrogen 3.025 N/A TYR 236.A N GLY 232.A O no hydrogen 2.911 N/A LEU 237.A N LEU 233.A O no hydrogen 2.873 N/A MET 238.A N ALA 234.A O no hydrogen 2.822 N/A THR 239.A N ALA 235.A O no hydrogen 2.925 N/A THR 239.A OG1 GLN 31.A O no hydrogen 2.884 N/A THR 239.A OG1 ALA 235.A O no hydrogen 3.273 N/A LEU 240.A N TYR 236.A O no hydrogen 3.122 N/A GLY 241.A N MET 238.A O no hydrogen 2.940 N/A LYS 242.A N LEU 237.A O no hydrogen 3.018 N/A THR 243.A OG1 SER 247.A OG.A no hydrogen 2.990 N/A THR 244.A N THR 243.A OG1 no hydrogen 2.832 N/A THR 244.A N SER 247.A OG.A no hydrogen 3.224 N/A THR 244.A OG1 SER 247.A OG.A no hydrogen 2.653 N/A SER 247.A N THR 244.A O no hydrogen 3.093 N/A SER 247.A N THR 244.A OG1 no hydrogen 3.277 N/A SER 247.A OG.A THR 243.A OG1 no hydrogen 2.990 N/A SER 247.A OG.A THR 244.A OG1 no hydrogen 2.653 N/A TYR 251.A N SER 247.A O no hydrogen 2.886 N/A ILE 252.A N ALA 248.A O no hydrogen 2.815 N/A ALA 253.A N CYS 249.A O no hydrogen 2.896 N/A ASP 254.A N ARG 250.A O no hydrogen 2.791 N/A THR 255.A N TYR 251.A O no hydrogen 2.976 N/A THR 255.A N ILE 252.A O no hydrogen 3.314 N/A THR 255.A OG1 TYR 251.A O no hydrogen 2.800 N/A THR 255.A OG1 ILE 252.A O no hydrogen 3.489 N/A ALA 256.A N ALA 253.A O no hydrogen 3.334 N/A ASN 257.A N LEU 272.A O no hydrogen 2.908 N/A GLY 259.A N ASN 270.A O no hydrogen 2.903 N/A SER 262.A N ASP 187.A O no hydrogen 2.866 N/A SER 262.A OG ASP 187.A O no hydrogen 3.557 N/A THR 268.A N PRO 265.A O no hydrogen 3.022 N/A LEU 272.A N ASN 257.A O no hydrogen 2.907 N/A ALA 273.A N PHE 202.A O no hydrogen 2.925 N/A ASN 275.A N ILE 13.A O no hydrogen 2.790 N/A ASN 275.A ND2 TYR 24.A O no hydrogen 2.948 N/A ASN 276.A ND2.B THR 255.A O no hydrogen 2.720 N/A ASN 276.A ND2.B TYR 274.A O no hydrogen 3.312 N/A TYR 277.A N ASN 275.A OD1 no hydrogen 3.001 N/A GLN 278.A NE2 ASN 276.A OD1.A no hydrogen 2.924 N/A