Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2pu5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N SER 7.A OG no hydrogen 2.931 N/A SER 7.A N THR 4.A OG1 no hydrogen 2.943 N/A SER 7.A OG ALA 2.A O no hydrogen 2.667 N/A SER 7.A OG THR 4.A O no hydrogen 3.431 N/A SER 7.A OG THR 4.A OG1 no hydrogen 3.325 N/A THR 8.A N THR 4.A O no hydrogen 3.177 N/A THR 8.A N GLU 5.A O no hydrogen 3.234 N/A THR 8.A OG1 THR 4.A O no hydrogen 2.833 N/A THR 8.A OG1 GLU 5.A O no hydrogen 2.842 N/A SER 9.A N SER 6.A O no hydrogen 3.043 N/A SER 9.A OG HIS 25.A NE2 no hydrogen 2.913 N/A LYS 10.A N TYR 26.A O no hydrogen 2.690 N/A LYS 10.A NZ GLU 28.A OE1 no hydrogen 2.784 N/A VAL 12.A N ILE 24.A O no hydrogen 2.910 N/A ILE 14.A N PHE 22.A O no hydrogen 2.707 N/A ASN 15.A ND2 ASP 21.A OD1 no hydrogen 3.381 N/A LYS 17.A NZ TYR 124.A OH no hydrogen 3.364 N/A PHE 19.A N GLU 16.A O no hydrogen 2.742 N/A ASP 21.A N ASN 15.A OD1 no hydrogen 2.825 N/A PHE 22.A N ILE 14.A O no hydrogen 3.157 N/A ASN 23.A N ASP 77.A OD2 no hydrogen 2.882 N/A ILE 24.A N VAL 12.A O no hydrogen 2.653 N/A HIS 25.A N SER 76.A OG no hydrogen 3.043 N/A HIS 25.A ND1 ASP 69.A OD2 no hydrogen 2.698 N/A HIS 25.A NE2 SER 9.A OG no hydrogen 2.913 N/A TYR 26.A N LYS 10.A O no hydrogen 2.807 N/A ASN 27.A N LEU 67.A O no hydrogen 2.713 N/A ASN 27.A ND2 THR 8.A OG1 no hydrogen 3.079 N/A GLU 28.A N THR 8.A O no hydrogen 2.857 N/A ALA 29.A N VAL 65.A O no hydrogen 3.142 N/A THR 34.A OG1 GLY 32.A O no hydrogen 3.305 N/A VAL 35.A N ARG 64.A O no hydrogen 2.902 N/A ILE 36.A N HIS 106.A O no hydrogen 2.724 N/A MET 37.A N ILE 66.A O no hydrogen 2.711 N/A LEU 38.A N VAL 108.A O no hydrogen 2.825 N/A HIS 39.A ND1 GLY 40.A O no hydrogen 2.738 N/A GLY 40.A N ASN 50.A OD1 no hydrogen 2.710 N/A ALA 45.A N GLY 42.A O no hydrogen 3.166 N/A GLY 47.A N ASP 69.A OD1 no hydrogen 2.708 N/A ASN 50.A N GLY 46.A O no hydrogen 3.033 N/A TYR 51.A N GLY 47.A O no hydrogen 2.868 N/A TYR 51.A OH LEU 38.A O no hydrogen 2.710 N/A ARG 53.A NH1 TRP 268.A O no hydrogen 2.854 N/A ASN 54.A N TYR 51.A O no hydrogen 2.940 N/A ASN 54.A ND2 GLN 267.A O no hydrogen 2.874 N/A ASN 54.A ND2 ASN 275.A OD1 no hydrogen 2.697 N/A VAL 55.A N TYR 51.A O no hydrogen 3.103 N/A PHE 58.A N ASN 54.A O no hydrogen 3.213 N/A VAL 59.A N VAL 55.A O no hydrogen 3.043 N/A ASP 60.A N GLY 56.A O no hydrogen 2.892 N/A ALA 61.A N PRO 57.A O no hydrogen 2.965 N/A ALA 61.A N PHE 58.A O no hydrogen 3.118 N/A GLY 62.A N VAL 59.A O no hydrogen 3.050 N/A TYR 63.A N PHE 58.A O no hydrogen 3.181 N/A ARG 64.A N GLU 33.A O no hydrogen 2.912 N/A ARG 64.A NE GLU 28.A OE2 no hydrogen 2.552 N/A ARG 64.A NH2 GLU 28.A OE2 no hydrogen 2.813 N/A VAL 65.A N ALA 29.A O no hydrogen 2.688 N/A ILE 66.A N VAL 35.A O no hydrogen 2.865 N/A LEU 67.A N ASN 27.A O no hydrogen 2.846 N/A LYS 68.A N MET 37.A O no hydrogen 3.199 N/A LYS 68.A NZ ASP 69.A O no hydrogen 3.560 N/A ASP 69.A N HIS 25.A O no hydrogen 2.777 N/A SER 70.A N HIS 39.A NE2 no hydrogen 2.988 N/A GLY 72.A N ASP 77.A O no hydrogen 2.714 N/A PHE 73.A N SER 70.A O no hydrogen 3.057 N/A ASN 74.A ND2 ASP 69.A OD2 no hydrogen 2.460 N/A LYS 75.A N ASP 69.A OD2 no hydrogen 3.438 N/A SER 76.A N PHE 73.A O no hydrogen 3.043 N/A SER 76.A OG ASP 69.A O no hydrogen 2.680 N/A ASP 77.A N ASN 23.A O no hydrogen 2.893 N/A MET 81.A N SER 206.A OG no hydrogen 2.805 N/A GLN 84.A NE2 ASN 119.A OD1 no hydrogen 3.093 N/A ARG 85.A NH2 PRO 71.A O no hydrogen 3.486 N/A LEU 87.A N GLN 84.A O no hydrogen 3.233 N/A LEU 87.A N GLN 84.A OE1 no hydrogen 3.145 N/A VAL 88.A N GLN 84.A O no hydrogen 3.064 N/A ASN 89.A N ARG 85.A O no hydrogen 2.565 N/A ASN 89.A ND2 THR 116.A OG1 no hydrogen 3.010 N/A ALA 90.A N GLY 86.A O no hydrogen 3.113 N/A ALA 90.A N LEU 87.A O no hydrogen 3.157 N/A ARG 91.A N LEU 87.A O no hydrogen 2.924 N/A ARG 91.A NH1 GLU 83.A OE1 no hydrogen 3.179 N/A ARG 91.A NH2 GLU 83.A OE2 no hydrogen 3.264 N/A ALA 92.A N VAL 88.A O no hydrogen 3.173 N/A VAL 93.A N ASN 89.A O no hydrogen 3.007 N/A LYS 94.A N ALA 90.A O no hydrogen 3.080 N/A LYS 94.A NZ GLU 16.A OE2 no hydrogen 3.242 N/A LYS 94.A NZ ASP 98.A OD2 no hydrogen 3.202 N/A GLY 95.A N ARG 91.A O no hydrogen 2.870 N/A LEU 96.A N ALA 92.A O no hydrogen 2.869 N/A MET 97.A N VAL 93.A O no hydrogen 3.080 N/A ASP 98.A N LYS 94.A O no hydrogen 2.896 N/A ALA 99.A N GLY 95.A O no hydrogen 3.086 N/A LEU 100.A N LEU 96.A O no hydrogen 2.993 N/A ASP 101.A N ASP 98.A O no hydrogen 3.083 N/A ILE 102.A N MET 97.A O no hydrogen 2.752 N/A ARG 104.A NH1.A ILE 128.A O no hydrogen 2.853 N/A ALA 105.A N ARG 127.A O no hydrogen 3.136 N/A HIS 106.A N THR 34.A O no hydrogen 2.838 N/A HIS 106.A NE2 GLU 33.A OE1 no hydrogen 2.577 N/A LEU 107.A N LYS 130.A O no hydrogen 3.022 N/A VAL 108.A N ILE 36.A O no hydrogen 2.850 N/A GLY 109.A N ILE 132.A O no hydrogen 3.015 N/A ASN 110.A N LEU 38.A O no hydrogen 2.930 N/A ASN 110.A ND2 ASN 50.A OD1 no hydrogen 2.702 N/A SER 111.A N MET 134.A O no hydrogen 3.202 N/A MET 112.A N SER 111.A OG no hydrogen 2.433 N/A GLY 113.A N ASN 110.A O no hydrogen 2.703 N/A ALA 115.A N SER 111.A O no hydrogen 2.734 N/A THR 116.A N MET 112.A O no hydrogen 2.796 N/A THR 116.A OG1 MET 112.A O no hydrogen 2.843 N/A ALA 117.A N GLY 113.A O no hydrogen 2.714 N/A LEU 118.A N GLY 114.A O no hydrogen 2.857 N/A ASN 119.A N ALA 115.A O no hydrogen 3.067 N/A ASN 119.A ND2 ALA 115.A O no hydrogen 2.608 N/A PHE 120.A N THR 116.A O no hydrogen 3.014 N/A ALA 121.A N ALA 117.A O no hydrogen 3.075 N/A LEU 122.A N LEU 118.A O no hydrogen 2.868 N/A GLU 123.A N ASN 119.A O no hydrogen 2.736 N/A TYR 124.A N PHE 120.A O no hydrogen 2.790 N/A TYR 124.A OH GLU 16.A OE1 no hydrogen 3.195 N/A ARG 127.A N TYR 124.A O no hydrogen 2.714 N/A ARG 127.A NE ASP 103.A O no hydrogen 2.549 N/A ARG 127.A NH1 ASP 98.A OD1 no hydrogen 3.050 N/A ARG 127.A NH2 ASP 98.A OD1 no hydrogen 3.095 N/A ARG 127.A NH2 ILE 102.A O no hydrogen 2.804 N/A GLY 129.A N ALA 105.A O no hydrogen 2.921 N/A LYS 130.A N HIS 106.A ND1 no hydrogen 2.789 N/A LYS 130.A NZ PHE 281.A O no hydrogen 2.824 N/A LYS 130.A NZ LEU 282.A O no hydrogen 3.180 N/A LYS 130.A NZ ALA 285.A O no hydrogen 2.744 N/A LEU 131.A N LYS 227.A O no hydrogen 3.099 N/A ILE 132.A N LEU 107.A O no hydrogen 2.844 N/A LEU 133.A N PHE 229.A O no hydrogen 2.799 N/A MET 134.A N GLY 109.A O no hydrogen 2.910 N/A GLY 135.A N THR 231.A O no hydrogen 3.055 N/A GLY 137.A N SER 111.A O no hydrogen 3.028 N/A SER 142.A OG ASP 242.A OD1 no hydrogen 3.554 N/A SER 142.A OG ASP 242.A OD2 no hydrogen 2.503 N/A MET 143.A N ASP 242.A OD1 no hydrogen 2.985 N/A PHE 144.A N SER 142.A OG no hydrogen 3.096 N/A ALA 145.A N SER 142.A OG no hydrogen 2.783 N/A GLY 151.A N ARG 237.A O no hydrogen 2.869 N/A LYS 153.A N MET 149.A O no hydrogen 3.113 N/A LEU 154.A N GLU 150.A O no hydrogen 3.173 N/A LEU 155.A N GLY 151.A O no hydrogen 2.803 N/A PHE 156.A N ILE 152.A O no hydrogen 2.967 N/A LYS 157.A N LYS 153.A O no hydrogen 2.785 N/A LEU 158.A N LEU 154.A O no hydrogen 2.691 N/A TYR 159.A N LEU 155.A O no hydrogen 2.952 N/A TYR 159.A OH GLY 41.A O no hydrogen 2.658 N/A ALA 160.A N PHE 156.A O no hydrogen 2.926 N/A GLU 161.A N LYS 157.A O no hydrogen 2.763 N/A SER 163.A OG THR 166.A OG1 no hydrogen 3.073 N/A TYR 164.A OH GLU 183.A OE1 no hydrogen 3.069 N/A THR 166.A N SER 163.A OG no hydrogen 2.977 N/A THR 166.A OG1 SER 163.A OG no hydrogen 3.073 N/A LEU 167.A N SER 163.A O no hydrogen 3.207 N/A LYS 168.A N TYR 164.A O no hydrogen 2.923 N/A GLN 169.A N GLU 165.A O no hydrogen 2.893 N/A GLN 169.A NE2 GLU 165.A OE1 no hydrogen 3.522 N/A MET 170.A N THR 166.A O no hydrogen 2.828 N/A LEU 171.A N LEU 167.A O no hydrogen 2.879 N/A GLN 172.A N LYS 168.A O no hydrogen 3.001 N/A VAL 173.A N GLN 169.A O no hydrogen 3.138 N/A PHE 174.A N MET 170.A O no hydrogen 3.177 N/A LEU 175.A N GLN 172.A O no hydrogen 2.627 N/A TYR 176.A N GLU 269.A OE1 no hydrogen 2.979 N/A ASP 177.A N GLU 269.A OE2 no hydrogen 2.703 N/A GLN 178.A N TYR 176.A O no hydrogen 3.183 N/A SER 179.A N ASP 177.A OD1 no hydrogen 3.104 N/A SER 179.A OG ASP 177.A OD1 no hydrogen 2.651 N/A LEU 180.A N ASP 177.A O no hydrogen 3.141 N/A LEU 185.A N THR 182.A OG1 no hydrogen 3.081 N/A LEU 186.A N THR 182.A O no hydrogen 3.232 N/A GLN 187.A N GLU 183.A O no hydrogen 2.876 N/A GLN 187.A NE2 GLU 183.A OE1 no hydrogen 3.398 N/A GLY 188.A N GLU 184.A O no hydrogen 2.829 N/A ARG 189.A N LEU 185.A O no hydrogen 2.900 N/A ARG 189.A NE PRO 43.A O no hydrogen 2.991 N/A ARG 189.A NH2 PRO 43.A O no hydrogen 2.735 N/A TRP 190.A N LEU 186.A O no hydrogen 2.790 N/A GLU 191.A N GLN 187.A O no hydrogen 2.827 N/A ALA 192.A N GLY 188.A O no hydrogen 3.145 N/A ILE 193.A N ARG 189.A O no hydrogen 2.913 N/A GLN 194.A N TRP 190.A O no hydrogen 2.844 N/A ARG 195.A N GLU 191.A O no hydrogen 2.728 N/A GLN 196.A N ALA 192.A O no hydrogen 3.299 N/A GLN 196.A N ILE 193.A O no hydrogen 3.370 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.669 N/A HIS 199.A N GLN 196.A O no hydrogen 3.158 N/A HIS 199.A NE2 ASN 74.A O no hydrogen 3.099 N/A ASN 202.A N GLU 198.A O no hydrogen 2.786 N/A PHE 203.A N HIS 199.A O no hydrogen 2.691 N/A LEU 204.A N LEU 200.A O no hydrogen 3.154 N/A ILE 205.A N LYS 201.A O no hydrogen 3.034 N/A SER 206.A N ASN 202.A O no hydrogen 2.938 N/A SER 206.A OG ASN 202.A O no hydrogen 2.559 N/A ALA 207.A N PHE 203.A O no hydrogen 2.952 N/A GLN 208.A N LEU 204.A O no hydrogen 3.162 N/A LYS 209.A N ILE 205.A O no hydrogen 3.244 N/A ALA 210.A N ALA 207.A O no hydrogen 3.229 N/A THR 214.A N PRO 211.A O no hydrogen 2.748 N/A THR 214.A OG1 PRO 211.A O no hydrogen 2.339 N/A TRP 215.A N LEU 212.A O no hydrogen 2.907 N/A ASP 216.A N SER 213.A O no hydrogen 3.323 N/A VAL 217.A N GLY 138.A O no hydrogen 3.052 N/A THR 218.A N ASP 216.A OD1 no hydrogen 3.052 N/A THR 218.A OG1 LEU 139.A O no hydrogen 3.521 N/A THR 218.A OG1 ASP 216.A OD1 no hydrogen 2.766 N/A ARG 220.A N VAL 217.A O no hydrogen 2.972 N/A ARG 220.A NE GLU 223.A OE1 no hydrogen 3.368 N/A ARG 220.A NE GLU 223.A OE2 no hydrogen 3.173 N/A ARG 220.A NH1 GLU 123.A OE2 no hydrogen 2.732 N/A ARG 220.A NH2 GLU 223.A OE1 no hydrogen 2.786 N/A LEU 221.A N THR 218.A O no hydrogen 3.186 N/A GLU 223.A N ARG 220.A O no hydrogen 2.724 N/A ILE 224.A N LEU 221.A O no hydrogen 3.163 N/A LYS 227.A NZ ALA 285.A O no hydrogen 3.540 N/A LYS 227.A NZ ALA 285.A OXT no hydrogen 3.282 N/A THR 228.A N ASP 253.A O no hydrogen 2.779 N/A THR 228.A OG1 ALA 226.A O no hydrogen 3.023 N/A PHE 229.A N LEU 131.A O no hydrogen 2.878 N/A ILE 230.A N ARG 255.A O no hydrogen 2.761 N/A THR 231.A N LEU 133.A O no hydrogen 2.900 N/A THR 231.A OG1 LEU 133.A O no hydrogen 2.918 N/A TRP 232.A N HIS 257.A O no hydrogen 2.995 N/A TRP 232.A NE1 VAL 239.A O no hydrogen 3.208 N/A ARG 234.A N PHE 259.A O no hydrogen 2.812 N/A ARG 234.A NE ASP 235.A OD1 no hydrogen 3.092 N/A ARG 234.A NE ASP 235.A OD2 no hydrogen 3.034 N/A ARG 234.A NH2 ASP 235.A OD1 no hydrogen 3.335 N/A ARG 234.A NH2 ASP 235.A OD2 no hydrogen 3.169 N/A ASP 235.A N CYS 262.A O no hydrogen 2.879 N/A ASP 236.A N GLY 233.A O no hydrogen 3.002 N/A ARG 237.A NH1 GLU 150.A OE2 no hydrogen 2.779 N/A PHE 238.A N ASP 236.A OD1 no hydrogen 2.654 N/A VAL 239.A N ASP 236.A OD1 no hydrogen 3.030 N/A HIS 243.A N PRO 240.A O no hydrogen 2.953 N/A HIS 243.A NE2 PRO 141.A O no hydrogen 2.613 N/A GLY 244.A N LEU 241.A O no hydrogen 2.684 N/A LYS 246.A N ASP 242.A O no hydrogen 3.020 N/A LEU 247.A N HIS 243.A O no hydrogen 3.214 N/A LEU 248.A N GLY 244.A O no hydrogen 3.125 N/A TRP 249.A N LEU 245.A O no hydrogen 2.665 N/A ASN 250.A N LYS 246.A O no hydrogen 3.066 N/A ASN 250.A N LEU 247.A O no hydrogen 3.040 N/A ASN 250.A ND2 LYS 246.A O no hydrogen 2.850 N/A ILE 251.A N LEU 247.A O no hydrogen 2.952 N/A ARG 255.A N THR 228.A O no hydrogen 2.999 N/A ARG 255.A NH1 THR 228.A O no hydrogen 2.957 N/A ARG 255.A NH1 ASP 253.A O no hydrogen 3.165 N/A ARG 255.A NH1 ASP 253.A OD1 no hydrogen 2.951 N/A ARG 255.A NH2 ASP 253.A OD1 no hydrogen 3.306 N/A HIS 257.A N ILE 230.A O no hydrogen 2.742 N/A PHE 259.A N TRP 232.A O no hydrogen 3.046 N/A CYS 262.A N ASP 235.A OD1 no hydrogen 2.950 N/A CYS 262.A SG GLY 263.A O no hydrogen 3.569 N/A GLY 263.A N GLU 269.A OE1 no hydrogen 2.660 N/A HIS 264.A N PHE 174.A O no hydrogen 2.966 N/A HIS 264.A ND1 ASP 236.A OD2 no hydrogen 2.689 N/A ALA 266.A N HIS 264.A O no hydrogen 3.028 N/A GLN 267.A N GLN 267.A OE1 no hydrogen 2.502 N/A GLN 267.A NE2 ASN 50.A O no hydrogen 3.291 N/A TRP 268.A N TRP 265.A O no hydrogen 3.127 N/A TRP 268.A NE1 TYR 52.A OH no hydrogen 2.910 N/A GLU 269.A N TRP 265.A O no hydrogen 2.710 N/A HIS 270.A N ALA 266.A O no hydrogen 2.942 N/A HIS 270.A ND1 GLU 273.A OE1 no hydrogen 3.026 N/A HIS 270.A NE2 LYS 261.A O no hydrogen 2.559 N/A PHE 274.A N HIS 270.A O no hydrogen 2.940 N/A ASN 275.A N ALA 271.A O no hydrogen 2.560 N/A ASN 275.A ND2 ARG 53.A O no hydrogen 3.053 N/A ARG 276.A N ASP 272.A O no hydrogen 3.171 N/A LEU 277.A N GLU 273.A O no hydrogen 2.766 N/A VAL 278.A N PHE 274.A O no hydrogen 2.849 N/A ILE 279.A N ASN 275.A O no hydrogen 2.820 N/A ASP 280.A N ARG 276.A O no hydrogen 3.174 N/A PHE 281.A N LEU 277.A O no hydrogen 3.111 N/A LEU 282.A N VAL 278.A O no hydrogen 2.988 N/A ARG 283.A N ILE 279.A O no hydrogen 2.902 N/A ARG 283.A NH2 ALA 61.A O no hydrogen 3.366 N/A HIS 284.A N ASP 280.A O no hydrogen 2.942 N/A HIS 284.A ND1 ASP 280.A OD2 no hydrogen 2.946 N/A ALA 285.A N PHE 281.A O no hydrogen 2.864 N/A