Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4py5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLY 109.A O no hydrogen 3.265 N/A SER 1.A OG VAL 49.A O no hydrogen 3.318 N/A LEU 4.A N GLY 47.A O no hydrogen 2.617 N/A SER 5.A N GLU 8.A OE1 no hydrogen 3.113 N/A GLU 8.A N SER 5.A OG no hydrogen 3.199 N/A LYS 9.A N SER 5.A O no hydrogen 2.852 N/A LYS 9.A NZ GLN 31.A OE1 no hydrogen 2.706 N/A LYS 9.A NZ LYS 45.A O no hydrogen 2.888 N/A GLU 10.A N SER 6.A O no hydrogen 3.195 N/A LYS 11.A N SER 7.A O no hydrogen 2.860 N/A LEU 12.A N GLU 8.A O no hydrogen 2.712 N/A LEU 13.A N LYS 9.A O no hydrogen 3.052 N/A LYS 14.A N GLU 10.A O no hydrogen 3.086 N/A LYS 15.A N LYS 11.A O no hydrogen 2.990 N/A LYS 15.A NZ THR 66.A OG1 no hydrogen 3.360 N/A LEU 16.A N LEU 12.A O no hydrogen 2.905 N/A LYS 17.A N LEU 13.A O no hydrogen 2.999 N/A ALA 18.A N LYS 14.A O no hydrogen 2.921 N/A LEU 19.A N LEU 16.A O no hydrogen 3.376 N/A GLY 20.A N LYS 17.A O no hydrogen 2.935 N/A ALA 21.A N LEU 16.A O no hydrogen 2.942 N/A LYS 22.A N ARG 35.A O no hydrogen 2.969 N/A GLU 24.A N ARG 33.A O no hydrogen 2.749 N/A ALA 30.A N PRO 27.A O no hydrogen 2.966 N/A GLN 31.A N VAL 43.A O no hydrogen 2.691 N/A TYR 32.A N VAL 43.A O no hydrogen 3.178 N/A TYR 32.A OH LYS 9.A O no hydrogen 2.669 N/A ARG 33.A NE GLU 24.A OE1 no hydrogen 2.954 N/A ARG 33.A NH2 GLU 24.A OE1 no hydrogen 3.093 N/A LEU 34.A N LEU 41.A O no hydrogen 2.930 N/A ARG 35.A N LYS 22.A O no hydrogen 2.927 N/A ARG 35.A NE GLU 24.A OE2 no hydrogen 2.331 N/A ARG 35.A NH1 GLU 24.A OE1 no hydrogen 3.212 N/A LEU 36.A N ALA 39.A O no hydrogen 2.872 N/A ALA 39.A N LEU 36.A O no hydrogen 3.094 N/A ILE 40.A N GLY 52.A O no hydrogen 2.799 N/A LEU 41.A N LEU 34.A O no hydrogen 2.919 N/A THR 42.A N VAL 50.A O no hydrogen 2.830 N/A VAL 43.A N TYR 32.A O no hydrogen 3.013 N/A TYR 44.A N SER 48.A O no hydrogen 2.868 N/A LYS 45.A N HIS 29.A O no hydrogen 3.090 N/A SER 46.A OG SER 48.A OG no hydrogen 3.302 N/A GLY 47.A N TYR 44.A O no hydrogen 2.861 N/A SER 48.A N SER 46.A OG no hydrogen 3.338 N/A SER 48.A OG SER 46.A OG no hydrogen 3.302 N/A VAL 49.A N MET 2.A O no hydrogen 3.043 N/A VAL 50.A N THR 42.A O no hydrogen 2.689 N/A GLY 52.A N ILE 40.A O no hydrogen 2.729 N/A LYS 54.A N ASP 38.A O no hydrogen 2.853 N/A ARG 56.A NH1 TYR 51.A O no hydrogen 3.467 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 3.324 N/A LYS 60.A N ARG 56.A O no hydrogen 3.020 N/A GLU 61.A N GLU 57.A O no hydrogen 3.094 N/A LEU 62.A N LYS 58.A O no hydrogen 3.092 N/A VAL 63.A N LEU 59.A O no hydrogen 3.064 N/A ALA 64.A N LYS 60.A O no hydrogen 3.036 N/A GLU 65.A N GLU 61.A O no hydrogen 2.913 N/A THR 66.A N LEU 62.A O no hydrogen 2.977 N/A THR 66.A OG1 LEU 62.A O no hydrogen 2.911 N/A VAL 67.A N VAL 63.A O no hydrogen 2.932 N/A LEU 68.A N ALA 64.A O no hydrogen 2.827 N/A SER 69.A N GLU 65.A O no hydrogen 2.929 N/A SER 69.A OG THR 66.A O no hydrogen 2.886 N/A THR 71.A N LEU 68.A O no hydrogen 3.511 N/A THR 71.A OG1 VAL 67.A O no hydrogen 2.596 N/A ARG 75.A N ALA 97.A O no hydrogen 3.010 N/A ARG 75.A NE ASP 209.A OD1 no hydrogen 3.300 N/A ARG 75.A NH1 ASP 209.A OD1 no hydrogen 2.946 N/A ARG 75.A NH2 GLU 72.A O no hydrogen 2.918 N/A ILE 76.A N VAL 177.A O no hydrogen 3.008 N/A GLY 77.A N ILE 95.A O no hydrogen 3.016 N/A CYS 78.A N VAL 179.A O no hydrogen 2.992 N/A CYS 78.A SG VAL 179.A O no hydrogen 3.797 N/A ASN 79.A N ALA 93.A O no hydrogen 3.013 N/A ASN 79.A ND2 ASP 181.A OD1.B no hydrogen 2.744 N/A ALA 81.A N VAL 91.A O no hydrogen 2.765 N/A PHE 86.A N ASN 242.A OD1 no hydrogen 2.887 N/A GLY 88.A N LEU 260.A O no hydrogen 2.877 N/A LEU 90.A N LEU 139.A O no hydrogen 3.041 N/A VAL 91.A N ALA 81.A O no hydrogen 2.835 N/A VAL 92.A N LYS 137.A O no hydrogen 2.934 N/A ALA 93.A N ASN 79.A O no hydrogen 2.887 N/A CYS 94.A N LYS 135.A O no hydrogen 2.829 N/A ILE 95.A N GLY 77.A O no hydrogen 2.876 N/A VAL 96.A N HIS 133.A O no hydrogen 2.947 N/A ALA 97.A N ARG 75.A O no hydrogen 2.752 N/A CYS 101.A N ASP 98.A OD1 no hydrogen 3.050 N/A CYS 101.A SG.A VAL 96.A O no hydrogen 3.830 N/A CYS 101.A SG.B VAL 96.A O no hydrogen 3.670 N/A CYS 101.A SG.B ASP 98.A OD1 no hydrogen 2.965 N/A CYS 101.A SG.B THR 131.A O no hydrogen 3.703 N/A LEU 102.A N ASP 98.A O no hydrogen 2.827 N/A LYS 103.A N GLU 99.A O no hydrogen 2.894 N/A ARG 104.A N LYS 100.A O no hydrogen 3.116 N/A ARG 104.A NH1 GLU 107.A OE1 no hydrogen 2.769 N/A ARG 104.A NH2 GLU 127.A OE1 no hydrogen 2.815 N/A LEU 105.A N CYS 101.A O no hydrogen 2.890 N/A ILE 106.A N LEU 102.A O no hydrogen 2.979 N/A GLU 107.A N LYS 103.A O no hydrogen 2.991 N/A LEU 108.A N ARG 104.A O no hydrogen 2.938 N/A GLY 109.A N ILE 106.A O no hydrogen 3.029 N/A VAL 110.A N LEU 105.A O no hydrogen 3.272 N/A SER 113.A N SER 216.A OG no hydrogen 2.988 N/A SER 113.A OG SER 216.A O no hydrogen 3.328 N/A LYS 114.A N ASP 112.A OD1 no hydrogen 3.477 N/A LYS 114.A NZ ASP 112.A OD2 no hydrogen 2.947 N/A LYS 115.A N ASP 112.A O no hydrogen 3.080 N/A LEU 116.A N SER 113.A O no hydrogen 3.008 N/A LYS 120.A N SER 117.A OG no hydrogen 3.238 N/A VAL 121.A N SER 117.A O no hydrogen 3.002 N/A GLU 122.A N ASN 118.A O no hydrogen 3.081 N/A GLU 123.A N GLU 119.A O no hydrogen 3.054 N/A LEU 124.A N LYS 120.A O no hydrogen 2.778 N/A ALA 125.A N VAL 121.A O no hydrogen 2.811 N/A SER 126.A N GLU 122.A O no hydrogen 3.420 N/A SER 126.A OG GLU 123.A O no hydrogen 3.134 N/A GLU 127.A N GLU 123.A O no hydrogen 3.328 N/A ILE 128.A N LEU 124.A O no hydrogen 2.776 N/A THR 129.A N ALA 125.A O no hydrogen 2.896 N/A THR 129.A OG1 ALA 125.A O no hydrogen 2.995 N/A THR 129.A OG1 SER 126.A O no hydrogen 3.412 N/A GLU 130.A N SER 126.A O no hydrogen 3.014 N/A THR 131.A N ILE 128.A O no hydrogen 2.987 N/A CYS 132.A N ILE 128.A O no hydrogen 2.868 N/A CYS 132.A SG ILE 128.A O no hydrogen 3.547 N/A LYS 135.A N CYS 94.A O no hydrogen 2.899 N/A LYS 137.A N VAL 92.A O no hydrogen 2.716 N/A LEU 139.A N LEU 90.A O no hydrogen 2.932 N/A TYR 144.A N ILE 140.A O no hydrogen 2.672 N/A TYR 144.A OH HIS 264.A NE2 no hydrogen 2.617 N/A ASN 145.A N PRO 141.A O no hydrogen 2.795 N/A ASN 145.A ND2 GLU 258.A O no hydrogen 2.993 N/A ASN 145.A ND2 PHE 261.A O no hydrogen 2.914 N/A ARG 146.A N GLU 142.A O no hydrogen 3.396 N/A ALA 147.A N LYS 143.A O no hydrogen 2.966 N/A TYR 148.A N TYR 144.A O no hydrogen 2.792 N/A SER 149.A N ASN 145.A O no hydrogen 3.307 N/A SER 149.A N ARG 146.A O no hydrogen 3.080 N/A SER 149.A OG ASN 145.A O no hydrogen 3.171 N/A LYS 150.A N ALA 147.A O no hydrogen 3.161 N/A PHE 151.A N TYR 148.A O no hydrogen 3.113 N/A LYS 152.A N TYR 148.A O no hydrogen 2.758 N/A ARG 156.A N ASN 153.A OD1 no hydrogen 2.969 N/A ARG 156.A NE GLU 159.A OE1 no hydrogen 2.777 N/A ARG 156.A NH2 GLU 159.A OE2 no hydrogen 2.824 N/A LEU 157.A N ASN 153.A O no hydrogen 3.053 N/A LEU 158.A N ILE 154.A O no hydrogen 2.800 N/A GLU 159.A N ASN 155.A O no hydrogen 2.772 N/A ALA 160.A N ARG 156.A O no hydrogen 3.080 N/A VAL 161.A N LEU 157.A O no hydrogen 3.020 N/A TYR 162.A N LEU 158.A O no hydrogen 2.815 N/A TYR 162.A OH GLU 80.A OE1 no hydrogen 2.531 N/A ARG 163.A N GLU 159.A O no hydrogen 2.756 N/A ARG 163.A NH2 ASP 193.A OD1 no hydrogen 2.972 N/A GLU 164.A N ALA 160.A O no hydrogen 3.174 N/A ILE 165.A N VAL 161.A O no hydrogen 3.220 N/A VAL 166.A N TYR 162.A O no hydrogen 2.890 N/A SER 167.A N ARG 163.A O no hydrogen 3.089 N/A ASP 168.A N GLU 164.A O no hydrogen 3.106 N/A LEU 169.A N ILE 165.A O no hydrogen 2.879 N/A CYS 170.A N VAL 166.A O no hydrogen 2.827 N/A CYS 170.A SG VAL 166.A O no hydrogen 3.295 N/A GLU 171.A N SER 167.A O no hydrogen 3.030 N/A LYS 172.A N ASP 168.A O no hydrogen 3.140 N/A PHE 173.A N LEU 169.A O no hydrogen 2.812 N/A SER 174.A N CYS 170.A O no hydrogen 2.862 N/A SER 174.A OG CYS 170.A O no hydrogen 3.512 N/A LYS 176.A N PRO 74.A O no hydrogen 2.682 N/A LYS 176.A NZ LEU 73.A O no hydrogen 2.431 N/A VAL 178.A N ARG 199.A O no hydrogen 2.696 N/A VAL 179.A N ILE 76.A O no hydrogen 2.900 N/A VAL 180.A N GLU 201.A O no hydrogen 2.859 N/A LYS 182.A N ARG 203.A O no hydrogen 3.383 N/A SER 184.A OG GLU 159.A OE2 no hydrogen 2.662 N/A ARG 186.A N SER 184.A OG no hydrogen 3.334 N/A ALA 187.A N SER 184.A O no hydrogen 3.234 N/A VAL 190.A N ARG 186.A O no hydrogen 3.005 N/A LEU 191.A N ALA 187.A O no hydrogen 2.968 N/A LYS 192.A N GLU 188.A O no hydrogen 2.764 N/A VAL 194.A N LEU 191.A O no hydrogen 3.107 N/A LYS 196.A NZ SER 174.A OG no hydrogen 3.250 N/A ALA 198.A N VAL 195.A O no hydrogen 3.070 N/A ARG 199.A N LYS 176.A O no hydrogen 2.764 N/A ARG 199.A NH1 GLU 72.A OE1 no hydrogen 2.877 N/A ARG 199.A NH2 GLU 201.A OE2 no hydrogen 2.902 N/A GLU 201.A N VAL 178.A O no hydrogen 2.676 N/A ARG 203.A N VAL 180.A O no hydrogen 3.284 N/A ASP 208.A N LYS 205.A O no hydrogen 3.170 N/A ASP 209.A N ALA 206.A O no hydrogen 2.999 N/A ALA 211.A N ASP 209.A OD2 no hydrogen 2.942 N/A VAL 212.A N ASP 209.A OD2 no hydrogen 3.053 N/A ALA 213.A N ASP 209.A O no hydrogen 2.984 N/A ALA 214.A N LEU 210.A O no hydrogen 2.902 N/A ALA 215.A N ALA 211.A O no hydrogen 2.914 N/A SER 216.A N VAL 212.A O no hydrogen 2.902 N/A SER 216.A OG ASP 112.A OD1 no hydrogen 3.473 N/A SER 216.A OG ALA 213.A O no hydrogen 2.660 N/A ILE 217.A N ALA 213.A O no hydrogen 3.066 N/A VAL 218.A N ALA 214.A O no hydrogen 3.083 N/A ALA 219.A N ALA 215.A O no hydrogen 2.875 N/A LYS 220.A N SER 216.A O no hydrogen 2.955 N/A LYS 220.A NZ GLU 240.A OE2 no hydrogen 2.487 N/A ALA 221.A N ILE 217.A O no hydrogen 2.892 N/A VAL 222.A N VAL 218.A O no hydrogen 2.981 N/A ARG 223.A N ALA 219.A O no hydrogen 3.109 N/A ARG 223.A NE GLU 240.A OE2 no hydrogen 2.655 N/A ARG 223.A NH1 VAL 87.A O no hydrogen 2.851 N/A ARG 223.A NH1 GLU 240.A O no hydrogen 2.665 N/A ARG 223.A NH2 VAL 87.A O no hydrogen 2.809 N/A ARG 223.A NH2 PRO 89.A O no hydrogen 2.980 N/A LEU 224.A N LYS 220.A O no hydrogen 2.919 N/A LYS 225.A N ALA 221.A O no hydrogen 2.942 N/A THR 226.A N VAL 222.A O no hydrogen 2.962 N/A THR 226.A OG1 VAL 222.A O no hydrogen 2.991 N/A MET 227.A N ARG 223.A O no hydrogen 2.798 N/A LYS 228.A N LEU 224.A O no hydrogen 3.168 N/A GLU 229.A N LYS 225.A O no hydrogen 3.112 N/A LEU 230.A N THR 226.A O no hydrogen 2.775 N/A GLU 231.A N MET 227.A O no hydrogen 3.010 N/A LYS 232.A N LYS 228.A O no hydrogen 3.107 N/A ARG 233.A N GLU 229.A O no hydrogen 2.845 N/A PHE 234.A N LEU 230.A O no hydrogen 3.058 N/A VAL 236.A N GLU 231.A O no hydrogen 3.095 N/A LEU 238.A N GLU 231.A OE2 no hydrogen 2.743 N/A ASN 242.A ND2 GLY 84.A O no hydrogen 2.747 N/A THR 243.A N GLY 241.A O no hydrogen 3.054 N/A LEU 248.A N GLY 244.A O no hydrogen 2.958 N/A LEU 249.A N LEU 245.A O no hydrogen 2.850 N/A LYS 250.A N ALA 246.A O no hydrogen 3.156 N/A LYS 251.A N GLU 247.A O no hydrogen 2.856 N/A THR 252.A N LEU 248.A O no hydrogen 3.023 N/A THR 252.A OG1 LEU 248.A O no hydrogen 2.562 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 2.875 N/A LEU 256.A N PRO 253.A O no hydrogen 2.843 N/A HIS 257.A N LYS 254.A O no hydrogen 3.120 N/A HIS 257.A NE2 THR 252.A O no hydrogen 2.964 N/A LYS 259.A N LEU 256.A O no hydrogen 2.987 N/A LEU 260.A N HIS 257.A O no hydrogen 3.109 N/A PHE 261.A N HIS 257.A O no hydrogen 2.902 N/A LYS 262.A N PHE 86.A O no hydrogen 2.795 N/A LYS 262.A NZ GLY 82.A O no hydrogen 2.736 N/A LYS 262.A NZ GLU 85.A O no hydrogen 2.674 N/A LYS 262.A NZ GLY 88.A O no hydrogen 2.779 N/A LYS 262.A NZ PRO 89.A O no hydrogen 3.423 N/A LEU 263.A N ASN 145.A OD1 no hydrogen 3.004 N/A HIS 264.A NE2 TYR 144.A OH no hydrogen 2.617 N/A PHE 265.A N LYS 262.A O no hydrogen 3.053 N/A