Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pb5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 79.A OD1 no hydrogen 2.678 N/A VAL 2.A N ASP 79.A OD1 no hydrogen 3.322 N/A LEU 3.A N GLU 107.A O no hydrogen 2.891 N/A TYR 4.A N VAL 80.A O no hydrogen 2.691 N/A PHE 5.A N TYR 109.A O no hydrogen 2.729 N/A ILE 6.A N PHE 82.A O no hydrogen 2.981 N/A GLY 7.A N ILE 111.A O no hydrogen 2.961 N/A LEU 8.A N THR 84.A O no hydrogen 2.735 N/A GLY 9.A N GLY 86.A O no hydrogen 3.300 N/A TYR 11.A N ASP 15.A OD2 no hydrogen 2.707 N/A ASP 12.A N ASP 15.A OD2 no hydrogen 2.760 N/A GLU 13.A N GLU 13.A OE1 no hydrogen 2.717 N/A ARG 14.A N ASP 12.A OD1 no hydrogen 2.768 N/A ASP 15.A N ASP 12.A O no hydrogen 2.964 N/A GLY 20.A N THR 17.A OG1 no hydrogen 3.084 N/A LEU 21.A N THR 17.A O no hydrogen 2.935 N/A GLU 22.A N VAL 18.A O no hydrogen 2.988 N/A ILE 23.A N LYS 19.A O no hydrogen 3.142 N/A ALA 24.A N GLY 20.A O no hydrogen 2.905 N/A LYS 25.A N LEU 21.A O no hydrogen 2.887 N/A LYS 26.A N ILE 23.A O no hydrogen 3.159 N/A CYS 27.A N ALA 24.A O no hydrogen 3.184 N/A CYS 27.A SG ILE 23.A O no hydrogen 3.366 N/A ASP 28.A N ASP 79.A O no hydrogen 2.853 N/A TYR 29.A N ASP 79.A O no hydrogen 3.372 N/A PHE 31.A N ALA 81.A O no hydrogen 2.791 N/A ALA 32.A N ARG 56.A O no hydrogen 3.125 N/A GLU 33.A N LEU 83.A O no hydrogen 3.118 N/A TYR 35.A N GLU 33.A OE1 no hydrogen 2.836 N/A THR 36.A N GLU 33.A OE1 no hydrogen 3.090 N/A THR 36.A OG1 GLU 33.A OE1 no hydrogen 3.253 N/A THR 36.A OG1 GLU 33.A OE2 no hydrogen 2.514 N/A GLY 41.A N TYR 11.A O no hydrogen 2.914 N/A THR 42.A OG1 GLU 13.A OE1 no hydrogen 2.613 N/A THR 42.A OG1 THR 43.A O no hydrogen 3.381 N/A ARG 46.A N THR 43.A OG1 no hydrogen 3.146 N/A ILE 47.A N THR 43.A O no hydrogen 3.097 N/A GLN 48.A N LEU 44.A O no hydrogen 2.786 N/A LYS 49.A N GLY 45.A O no hydrogen 2.822 N/A LEU 50.A N ARG 46.A O no hydrogen 2.967 N/A ILE 51.A N ILE 47.A O no hydrogen 2.988 N/A GLY 52.A N GLN 48.A O no hydrogen 2.616 N/A LYS 53.A N GLN 48.A O no hydrogen 3.223 N/A LYS 53.A NZ CYS 27.A O no hydrogen 2.700 N/A ILE 55.A N GLN 48.A OE1 no hydrogen 2.708 N/A ARG 56.A N VAL 30.A O no hydrogen 3.103 N/A LEU 58.A N ALA 32.A O no hydrogen 2.693 N/A SER 59.A N ASP 62.A OD2 no hydrogen 2.959 N/A ARG 60.A NH1 GLU 64.A OE2 no hydrogen 2.843 N/A ASP 62.A N SER 59.A OG no hydrogen 3.186 N/A VAL 63.A N SER 59.A O no hydrogen 3.090 N/A GLU 64.A N ARG 60.A O no hydrogen 2.812 N/A LEU 65.A N GLU 61.A O no hydrogen 2.911 N/A ASN 66.A N ASP 62.A O no hydrogen 2.817 N/A ASN 66.A ND2 ASN 69.A OD1 no hydrogen 2.699 N/A PHE 67.A N VAL 63.A O no hydrogen 3.030 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.579 N/A ASN 69.A N ASN 66.A O no hydrogen 2.857 N/A ILE 70.A N ASN 66.A O no hydrogen 2.869 N/A ILE 70.A N PHE 67.A O no hydrogen 3.301 N/A VAL 71.A N PHE 67.A O no hydrogen 2.881 N/A LEU 72.A N PHE 67.A O no hydrogen 3.341 N/A MET 74.A N VAL 71.A O no hydrogen 2.948 N/A ALA 75.A N LEU 72.A O no hydrogen 2.981 N/A LYS 76.A NZ GLY 105.A O no hydrogen 3.429 N/A ASN 78.A N MET 74.A O no hydrogen 3.062 N/A ASP 79.A N ASP 28.A OD2 no hydrogen 2.820 N/A VAL 80.A N VAL 2.A O no hydrogen 2.839 N/A ALA 81.A N TYR 29.A O no hydrogen 3.017 N/A PHE 82.A N TYR 4.A O no hydrogen 2.713 N/A LEU 83.A N PHE 31.A O no hydrogen 2.820 N/A THR 84.A N ILE 6.A O no hydrogen 3.186 N/A THR 84.A OG1 PRO 85.A O no hydrogen 3.230 N/A GLY 86.A N GLY 9.A O no hydrogen 2.768 N/A LEU 89.A N ASP 87.A OD1 no hydrogen 2.932 N/A VAL 90.A N ASP 87.A O no hydrogen 3.341 N/A THR 92.A OG1 PRO 88.A O no hydrogen 2.722 N/A HIS 94.A N THR 92.A OG1 no hydrogen 3.191 N/A HIS 94.A NE2 GLU 33.A OE2 no hydrogen 2.764 N/A GLU 96.A N THR 93.A O no hydrogen 3.333 N/A LEU 97.A N HIS 94.A O no hydrogen 2.811 N/A ARG 98.A N ALA 95.A O no hydrogen 2.925 N/A ARG 98.A NE SER 108.A OG no hydrogen 2.971 N/A ARG 98.A NH2 SER 108.A O no hydrogen 2.966 N/A ARG 98.A NH2 SER 108.A OG no hydrogen 3.364 N/A ILE 99.A N GLU 96.A O no hydrogen 3.010 N/A ARG 100.A N GLU 96.A O no hydrogen 3.308 N/A ARG 100.A NE GLU 96.A OE1 no hydrogen 3.077 N/A ARG 100.A NE GLU 96.A OE2 no hydrogen 3.179 N/A ARG 100.A NH1 GLU 64.A O no hydrogen 3.077 N/A ARG 100.A NH1 GLU 68.A OE1 no hydrogen 2.872 N/A ARG 100.A NH2 GLU 64.A O no hydrogen 2.891 N/A ARG 100.A NH2 GLU 96.A OE1 no hydrogen 3.209 N/A ALA 101.A N LEU 97.A O no hydrogen 3.018 N/A LYS 102.A N ARG 98.A O no hydrogen 2.973 N/A ARG 103.A N ILE 99.A O no hydrogen 2.958 N/A ALA 104.A N ARG 100.A O no hydrogen 3.135 N/A ALA 104.A N ALA 101.A O no hydrogen 3.027 N/A GLY 105.A N LYS 102.A O no hydrogen 2.865 N/A VAL 106.A N ALA 101.A O no hydrogen 2.868 N/A TYR 109.A N LEU 3.A O no hydrogen 2.793 N/A ILE 111.A N PHE 5.A O no hydrogen 2.747 N/A HIS 112.A ND1 ASP 87.A OD2 no hydrogen 2.808 N/A TYR 117.A N SER 115.A OG no hydrogen 3.061 N/A SER 118.A N SER 115.A O no hydrogen 3.193 N/A SER 118.A OG SER 115.A O no hydrogen 3.499 N/A ALA 119.A N SER 115.A O no hydrogen 2.991 N/A GLY 121.A N SER 118.A O no hydrogen 3.045 N/A ILE 122.A N ALA 119.A O no hydrogen 2.963 N/A THR 123.A N VAL 120.A O no hydrogen 2.848 N/A THR 123.A OG1 VAL 120.A O no hydrogen 2.595 N/A GLY 124.A N GLY 121.A O no hydrogen 3.101 N/A LEU 125.A N THR 123.A OG1 no hydrogen 3.353 N/A HIS 126.A N GLU 246.A OE2 no hydrogen 2.715 N/A LYS 129.A N HIS 126.A O no hydrogen 2.981 N/A LYS 129.A NZ LYS 241.A O no hydrogen 2.674 N/A LYS 129.A NZ HIS 243.A ND1 no hydrogen 2.821 N/A LYS 129.A NZ GLU 246.A OE1 no hydrogen 2.672 N/A PHE 130.A N ILE 127.A O no hydrogen 3.362 N/A GLY 131.A N HIS 161.A O no hydrogen 2.810 N/A LYS 132.A N ASN 155.A OD1 no hydrogen 3.061 N/A ALA 134.A N LEU 163.A O no hydrogen 3.102 N/A VAL 136.A N PHE 165.A O no hydrogen 3.041 N/A TYR 138.A N ASP 167.A OD2 no hydrogen 2.717 N/A TYR 138.A OH GLU 180.A OE1 no hydrogen 2.633 N/A GLU 140.A N TRP 143.A O no hydrogen 2.751 N/A TRP 143.A N GLU 140.A O no hydrogen 2.723 N/A TYR 149.A N THR 146.A O no hydrogen 2.834 N/A TYR 149.A OH GLU 189.A OE1 no hydrogen 2.449 N/A ASP 150.A N SER 147.A O no hydrogen 3.021 N/A VAL 151.A N SER 147.A O no hydrogen 3.309 N/A ILE 152.A N TYR 148.A O no hydrogen 3.322 N/A LYS 153.A N TYR 149.A O no hydrogen 3.127 N/A GLU 154.A N ASP 150.A O no hydrogen 2.897 N/A ASN 155.A N VAL 151.A O no hydrogen 2.929 N/A ASN 155.A ND2 LYS 132.A O no hydrogen 2.708 N/A ASN 155.A ND2 THR 162.A OG1 no hydrogen 2.849 N/A ALA 156.A N ILE 152.A O no hydrogen 2.770 N/A GLU 157.A N LYS 153.A O no hydrogen 2.959 N/A ARG 158.A N ASN 155.A O no hydrogen 2.742 N/A GLY 159.A N ALA 156.A O no hydrogen 2.946 N/A LEU 160.A N ASN 155.A O no hydrogen 2.909 N/A HIS 161.A N LYS 129.A O no hydrogen 2.955 N/A HIS 161.A NE2 GLU 246.A OE2 no hydrogen 2.838 N/A THR 162.A N VAL 238.A O no hydrogen 2.899 N/A LEU 164.A N LEU 236.A O no hydrogen 2.783 N/A PHE 165.A N ALA 134.A O no hydrogen 2.800 N/A ASP 167.A N VAL 136.A O no hydrogen 3.142 N/A ILE 168.A N ASP 167.A OD1 no hydrogen 2.775 N/A LYS 169.A N MET 174.A O no hydrogen 2.829 N/A LYS 172.A N LYS 169.A O no hydrogen 2.862 N/A ARG 173.A N ALA 170.A O no hydrogen 2.785 N/A MET 174.A N LYS 169.A O no hydrogen 3.058 N/A MET 176.A N ASP 167.A O no hydrogen 3.101 N/A THR 177.A N GLU 180.A OE1 no hydrogen 3.179 N/A ALA 178.A N HIS 234.A ND1 no hydrogen 3.224 N/A ASN 179.A ND2 ILE 225.A O no hydrogen 3.024 N/A ASN 179.A ND2 GLU 227.A O no hydrogen 2.694 N/A GLU 180.A N THR 177.A OG1 no hydrogen 3.095 N/A ALA 181.A N THR 177.A O no hydrogen 3.116 N/A MET 182.A N ALA 178.A O no hydrogen 2.960 N/A GLU 183.A N ASN 179.A O no hydrogen 3.003 N/A LEU 184.A N GLU 180.A O no hydrogen 2.983 N/A LEU 185.A N ALA 181.A O no hydrogen 2.944 N/A LEU 186.A N MET 182.A O no hydrogen 2.967 N/A LYS 187.A N GLU 183.A O no hydrogen 3.108 N/A VAL 188.A N LEU 184.A O no hydrogen 3.015 N/A GLU 189.A N LEU 185.A O no hydrogen 2.913 N/A ASP 190.A N LEU 186.A O no hydrogen 2.960 N/A MET 191.A N LYS 187.A O no hydrogen 3.235 N/A LYS 192.A N VAL 188.A O no hydrogen 2.727 N/A LYS 193.A N GLU 189.A O no hydrogen 2.499 N/A LYS 193.A NZ ASP 190.A O no hydrogen 2.887 N/A LYS 193.A NZ ASP 190.A OD1 no hydrogen 3.437 N/A GLY 194.A N TYR 149.A OH no hydrogen 3.013 N/A GLY 195.A N GLU 189.A OE2 no hydrogen 2.617 N/A VAL 196.A N GLU 189.A OE1 no hydrogen 2.858 N/A PHE 197.A N GLU 189.A OE1 no hydrogen 3.045 N/A THR 198.A N THR 201.A OG1 no hydrogen 2.872 N/A ASP 200.A N THR 198.A OG1 no hydrogen 3.194 N/A THR 201.A N THR 198.A O no hydrogen 3.010 N/A THR 201.A OG1 THR 198.A O no hydrogen 3.375 N/A VAL 203.A N GLY 219.A O no hydrogen 2.836 N/A VAL 204.A N ILE 237.A O no hydrogen 2.796 N/A VAL 205.A N ARG 217.A O no hydrogen 2.653 N/A LEU 206.A N ILE 235.A O no hydrogen 3.385 N/A ALA 207.A N THR 215.A O no hydrogen 2.889 N/A ARG 208.A N PRO 233.A O no hydrogen 2.944 N/A ARG 208.A NH1 PHE 229.A O no hydrogen 3.012 N/A ARG 208.A NH1 ASP 231.A O no hydrogen 3.018 N/A ARG 208.A NH2 THR 215.A OG1 no hydrogen 2.730 N/A SER 211.A N ARG 208.A O no hydrogen 3.114 N/A SER 211.A OG ARG 208.A O no hydrogen 2.898 N/A THR 215.A N ALA 207.A O no hydrogen 3.097 N/A THR 215.A OG1 PHE 229.A O no hydrogen 3.154 N/A ARG 217.A N VAL 205.A O no hydrogen 2.949 N/A ARG 217.A NE GLU 227.A OE1 no hydrogen 3.334 N/A ARG 217.A NE GLU 227.A OE2 no hydrogen 2.604 N/A ARG 217.A NH1 ALA 218.A O no hydrogen 3.173 N/A ARG 217.A NH1 ALA 254.A O no hydrogen 2.885 N/A ARG 217.A NH2 GLU 227.A OE1 no hydrogen 2.835 N/A ALA 218.A N ALA 254.A O no hydrogen 3.187 N/A GLY 219.A N VAL 203.A O no hydrogen 3.006 N/A TYR 220.A OH GLU 259.A OE2 no hydrogen 2.725 N/A VAL 221.A N THR 201.A O no hydrogen 2.935 N/A LYS 222.A N ASP 199.A O no hydrogen 2.927 N/A ASP 223.A N TYR 220.A O no hydrogen 2.925 N/A LEU 224.A N TYR 220.A O no hydrogen 2.993 N/A ILE 225.A N VAL 221.A O no hydrogen 2.759 N/A GLU 227.A N LEU 224.A O no hydrogen 2.904 N/A GLY 230.A N ASP 228.A OD1 no hydrogen 2.988 N/A HIS 234.A NE2 GLY 230.A O no hydrogen 2.863 N/A HIS 234.A NE2 ASP 231.A O no hydrogen 3.137 N/A ILE 235.A N LEU 206.A O no hydrogen 3.060 N/A LEU 236.A N LEU 164.A O no hydrogen 3.183 N/A ILE 237.A N VAL 204.A O no hydrogen 2.860 N/A VAL 238.A N THR 162.A O no hydrogen 3.025 N/A GLY 240.A N HIS 161.A ND1 no hydrogen 2.805 N/A LYS 241.A N GLY 159.A O no hydrogen 3.256 N/A LYS 241.A NZ VAL 265.A O no hydrogen 3.470 N/A HIS 243.A N GLU 246.A OE1 no hydrogen 2.749 N/A GLU 246.A N HIS 243.A O no hydrogen 3.167 N/A ALA 247.A N HIS 243.A O no hydrogen 3.189 N/A GLU 248.A N ILE 244.A O no hydrogen 2.964 N/A TYR 249.A N VAL 245.A O no hydrogen 3.051 N/A TYR 249.A OH ILE 122.A O no hydrogen 2.669 N/A LEU 250.A N GLU 246.A O no hydrogen 2.957 N/A VAL 251.A N ALA 247.A O no hydrogen 2.957 N/A GLU 252.A N GLU 248.A O no hydrogen 2.824 N/A ILE 253.A N TYR 249.A O no hydrogen 2.666 N/A ALA 254.A N TYR 249.A O no hydrogen 3.423 N/A ALA 254.A N LEU 250.A O no hydrogen 2.908 N/A ALA 256.A N LEU 250.A O no hydrogen 3.015 N/A ILE 260.A N PRO 257.A O no hydrogen 2.863 N/A LEU 261.A N ARG 258.A O no hydrogen 2.951 N/A ARG 262.A N GLU 259.A O no hydrogen 3.358 N/A