Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ppy_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 5.A N VAL 12.A O no hydrogen 3.055 N/A LYS 7.A N LEU 10.A O no hydrogen 3.095 N/A TYR 9.A N GLU 38.A OE1 no hydrogen 3.167 N/A TYR 9.A OH ASP 32.A OD2 no hydrogen 2.968 N/A THR 11.A N HIS 22.A O no hydrogen 2.925 N/A VAL 12.A N THR 5.A O no hydrogen 2.927 N/A PHE 13.A N GLU 20.A O no hydrogen 2.921 N/A LYS 14.A N VAL 3.A O no hydrogen 3.210 N/A LYS 14.A NZ ASP 45.A OD2 no hydrogen 2.829 N/A LYS 14.A NZ ASP 49.A OD2 no hydrogen 2.627 N/A GLU 15.A N ILE 18.A O no hydrogen 2.876 N/A ILE 18.A N GLU 15.A O no hydrogen 2.926 N/A ALA 19.A N VAL 54.A O no hydrogen 2.916 N/A GLU 20.A N PHE 13.A O no hydrogen 2.787 N/A ILE 21.A N ILE 56.A O no hydrogen 2.869 N/A HIS 22.A N THR 11.A O no hydrogen 2.776 N/A HIS 22.A ND1 ASP 59.A OD1 no hydrogen 2.631 N/A HIS 22.A NE2 GLU 20.A OE1 no hydrogen 2.907 N/A HIS 24.A N TYR 9.A O no hydrogen 2.985 N/A ILE 25.A N ASN 29.A OD1 no hydrogen 2.796 N/A ASN 26.A ND2 SER 30.A O no hydrogen 2.996 N/A SER 28.A N ASN 26.A OD1 no hydrogen 3.149 N/A SER 28.A OG SER 30.A OG no hydrogen 2.979 N/A ASN 29.A N ASN 26.A O no hydrogen 3.023 N/A ASN 29.A ND2 PHE 64.A O no hydrogen 2.857 N/A SER 30.A N ASN 26.A OD1 no hydrogen 2.821 N/A SER 30.A OG SER 28.A OG no hydrogen 2.979 N/A TYR 31.A N GLY 67.A O no hydrogen 3.064 N/A PHE 35.A N ASP 32.A OD1 no hydrogen 2.823 N/A LYS 37.A N LEU 33.A O no hydrogen 2.986 N/A LYS 37.A NZ GLU 34.A OE1 no hydrogen 3.426 N/A GLU 38.A N GLU 34.A O no hydrogen 3.087 N/A PHE 39.A N PHE 35.A O no hydrogen 2.834 N/A ASN 40.A N TYR 36.A O no hydrogen 2.809 N/A ALA 41.A N LYS 37.A O no hydrogen 3.158 N/A ALA 42.A N GLU 38.A O no hydrogen 2.961 N/A ILE 43.A N PHE 39.A O no hydrogen 3.065 N/A ASP 44.A N ASN 40.A O no hydrogen 3.002 N/A ASP 45.A N ALA 41.A O no hydrogen 2.816 N/A ILE 46.A N ALA 42.A O no hydrogen 2.849 N/A ARG 47.A N ILE 43.A O no hydrogen 2.892 N/A ARG 47.A NE SER 98.A OG no hydrogen 3.057 N/A ARG 47.A NH2 LYS 94.A O no hydrogen 3.003 N/A PHE 48.A N ASP 44.A O no hydrogen 3.145 N/A ASP 49.A N ILE 46.A O no hydrogen 3.077 N/A ASP 51.A N ASP 49.A OD1 no hydrogen 3.203 N/A ILE 52.A N ASP 49.A O no hydrogen 3.083 N/A LYS 53.A N GLY 17.A O no hydrogen 2.867 N/A LYS 53.A NZ PRO 50.A O no hydrogen 2.768 N/A VAL 54.A N GLY 17.A O no hydrogen 3.162 N/A VAL 55.A N VAL 101.A O no hydrogen 2.812 N/A ILE 56.A N ALA 19.A O no hydrogen 2.818 N/A VAL 57.A N ILE 103.A O no hydrogen 2.778 N/A SER 58.A OG PHE 63.A O no hydrogen 2.755 N/A SER 58.A OG PHE 64.A O no hydrogen 3.492 N/A ASP 59.A N LEU 23.A O no hydrogen 3.002 N/A VAL 60.A N SER 58.A OG no hydrogen 3.087 N/A PHE 64.A N HIS 109.A O no hydrogen 2.840 N/A SER 65.A N HIS 109.A O no hydrogen 3.182 N/A SER 65.A OG ASN 29.A O no hydrogen 3.001 N/A ALA 66.A N SER 28.A O no hydrogen 2.954 N/A GLY 67.A N SER 65.A OG no hydrogen 3.248 N/A ASP 69.A N TYR 31.A O no hydrogen 2.866 N/A PHE 72.A N ASP 69.A OD1 no hydrogen 2.860 N/A LEU 73.A N ASP 69.A O no hydrogen 2.594 N/A ARG 74.A N ILE 70.A O no hydrogen 2.934 N/A ARG 79.A N ASP 77.A OD1 no hydrogen 3.009 N/A PHE 80.A N ASP 77.A O no hydrogen 2.852 N/A PHE 80.A N ASP 77.A OD2 no hydrogen 3.063 N/A LYS 81.A N ASP 77.A O no hydrogen 2.925 N/A THR 82.A N PRO 78.A O no hydrogen 3.104 N/A THR 82.A OG1 PRO 78.A O no hydrogen 2.867 N/A GLN 83.A N ARG 79.A O no hydrogen 3.233 N/A PHE 84.A N PHE 80.A O no hydrogen 2.755 N/A CYS 85.A N LYS 81.A O no hydrogen 2.867 N/A CYS 85.A SG LYS 81.A O no hydrogen 3.205 N/A LEU 86.A N THR 82.A O no hydrogen 2.988 N/A PHE 87.A N GLN 83.A O no hydrogen 3.089 N/A CYS 88.A N PHE 84.A O no hydrogen 3.122 N/A CYS 88.A SG PHE 84.A O no hydrogen 3.191 N/A ASN 89.A N CYS 85.A O no hydrogen 2.947 N/A ASN 89.A ND2 GLY 143.A O no hydrogen 3.017 N/A GLU 90.A N LEU 86.A O no hydrogen 2.963 N/A THR 91.A N PHE 87.A O no hydrogen 2.957 N/A THR 91.A OG1 PHE 87.A O no hydrogen 2.804 N/A LEU 92.A N CYS 88.A O no hydrogen 2.936 N/A ASP 93.A N ASN 89.A O no hydrogen 2.752 N/A LYS 94.A N GLU 90.A O no hydrogen 3.256 N/A LYS 94.A N THR 91.A O no hydrogen 3.088 N/A LYS 94.A NZ ASN 40.A OD1 no hydrogen 2.925 N/A LYS 94.A NZ ASP 44.A OD1 no hydrogen 2.666 N/A LYS 94.A NZ ASP 44.A OD2 no hydrogen 3.183 N/A ILE 95.A N LEU 92.A O no hydrogen 3.238 N/A ARG 97.A N LYS 94.A O no hydrogen 3.172 N/A SER 98.A N ILE 95.A O no hydrogen 3.027 N/A SER 98.A OG LYS 94.A O no hydrogen 2.807 N/A GLN 100.A NE2 ILE 52.A O no hydrogen 2.896 N/A VAL 101.A N LYS 53.A O no hydrogen 3.198 N/A TYR 102.A N ASP 121.A OD2 no hydrogen 2.711 N/A ILE 103.A N VAL 55.A O no hydrogen 2.786 N/A ALA 104.A N LEU 122.A O no hydrogen 2.851 N/A CYS 105.A N VAL 57.A O no hydrogen 2.732 N/A CYS 105.A SG THR 192.A OG1 no hydrogen 3.564 N/A LEU 106.A N PHE 124.A O no hydrogen 2.708 N/A HIS 109.A N LYS 62.A O no hydrogen 2.888 N/A THR 110.A N LYS 130.A O no hydrogen 2.856 N/A THR 110.A OG1 GLY 108.A O no hydrogen 3.093 N/A VAL 111.A N SER 65.A O no hydrogen 3.255 N/A GLY 112.A N GLY 132.A O no hydrogen 2.920 N/A GLY 114.A N VAL 111.A O no hydrogen 2.765 N/A GLU 116.A N GLY 112.A O no hydrogen 2.987 N/A LEU 118.A N LEU 115.A O no hydrogen 2.657 N/A ALA 119.A N GLU 116.A O no hydrogen 3.200 N/A CYS 120.A N ALA 117.A O no hydrogen 3.207 N/A LEU 122.A N TYR 102.A O no hydrogen 3.065 N/A ARG 123.A N ASN 180.A OD1 no hydrogen 2.854 N/A ARG 123.A NE LEU 178.A O no hydrogen 2.984 N/A ARG 123.A NH1 ALA 117.A O no hydrogen 3.008 N/A ARG 123.A NH1 CYS 120.A O no hydrogen 2.866 N/A PHE 124.A N ALA 104.A O no hydrogen 2.960 N/A ASP 126.A N PHE 183.A O no hydrogen 2.726 N/A GLU 127.A N GLN 185.A OE1 no hydrogen 2.765 N/A ALA 128.A N GLY 125.A O no hydrogen 3.039 N/A ILE 131.A N ILE 168.A O no hydrogen 3.076 N/A GLY 132.A N THR 110.A O no hydrogen 3.273 N/A GLU 135.A N GLU 135.A OE1 no hydrogen 2.654 N/A SER 137.A N PRO 134.A O no hydrogen 2.883 N/A SER 137.A OG PRO 134.A O no hydrogen 2.710 N/A LEU 138.A N GLU 135.A O no hydrogen 2.893 N/A GLY 139.A N VAL 136.A O no hydrogen 3.009 N/A VAL 140.A N GLU 135.A O no hydrogen 3.405 N/A THR 144.A N GLU 116.A OE2 no hydrogen 2.725 N/A THR 144.A OG1 GLU 116.A OE1 no hydrogen 3.450 N/A GLY 146.A N GLU 116.A OE2 no hydrogen 3.004 N/A THR 147.A N ALA 142.A O no hydrogen 3.486 N/A THR 147.A OG1 GLN 148.A OE1 no hydrogen 2.971 N/A ARG 149.A N GLY 145.A O no hydrogen 2.836 N/A ARG 149.A NH2 ASP 93.A OD1 no hydrogen 2.821 N/A LEU 150.A N GLY 146.A O no hydrogen 3.003 N/A ALA 151.A N THR 147.A O no hydrogen 3.457 N/A ARG 152.A N GLN 148.A O no hydrogen 3.188 N/A ARG 152.A NH1 GLN 148.A O no hydrogen 3.009 N/A LEU 153.A N ARG 149.A O no hydrogen 2.867 N/A ILE 154.A N LEU 150.A O no hydrogen 2.881 N/A GLY 155.A N ALA 151.A O no hydrogen 2.851 N/A ALA 159.A N GLY 155.A O no hydrogen 2.921 N/A LEU 160.A N TYR 156.A O no hydrogen 2.815 N/A ASP 161.A N SER 157.A O no hydrogen 2.934 N/A ASN 162.A ND2 ALA 159.A O no hydrogen 2.831 N/A ILE 163.A N LEU 160.A O no hydrogen 2.957 N/A THR 164.A N ASP 161.A O no hydrogen 3.277 N/A THR 164.A OG1 ASP 161.A O no hydrogen 3.113 N/A GLU 166.A N THR 164.A OG1 no hydrogen 3.179 N/A ILE 168.A N ILE 131.A O no hydrogen 2.880 N/A THR 169.A N GLU 172.A OE1 no hydrogen 2.824 N/A GLN 171.A NE2 ASP 126.A O no hydrogen 3.355 N/A GLU 172.A N THR 169.A OG1 no hydrogen 3.158 N/A ALA 173.A N THR 169.A O no hydrogen 2.855 N/A LEU 174.A N PRO 170.A O no hydrogen 2.876 N/A GLU 175.A N GLN 171.A O no hydrogen 3.084 N/A ILE 176.A N GLU 172.A O no hydrogen 3.195 N/A GLY 177.A N LEU 174.A O no hydrogen 3.216 N/A LEU 178.A N ALA 173.A O no hydrogen 2.766 N/A ASN 180.A N ARG 123.A O no hydrogen 2.705 N/A ARG 181.A NH1 ASN 180.A O no hydrogen 3.027 N/A GLN 185.A N ASP 126.A OD2 no hydrogen 2.693 N/A GLN 185.A NE2 GLU 107.A O no hydrogen 2.989 N/A GLU 187.A N PRO 184.A O no hydrogen 2.733 N/A THR 188.A N GLN 185.A O no hydrogen 3.202 N/A THR 188.A OG1 PRO 184.A O no hydrogen 3.391 N/A THR 188.A OG1 GLN 185.A O no hydrogen 3.009 N/A ARG 189.A NE GLU 107.A OE1 no hydrogen 2.756 N/A ARG 189.A NH2 SER 58.A O no hydrogen 2.741 N/A ARG 189.A NH2 ASP 59.A OD1 no hydrogen 3.271 N/A ARG 191.A N GLU 187.A O no hydrogen 2.775 N/A THR 192.A N THR 188.A O no hydrogen 2.936 N/A THR 192.A OG1 THR 188.A O no hydrogen 2.716 N/A ARG 193.A N ARG 189.A O no hydrogen 2.906 N/A ARG 193.A NE GLU 20.A OE2 no hydrogen 2.660 N/A ARG 193.A NH2 GLU 20.A OE1 no hydrogen 3.015 N/A ARG 193.A NH2 GLU 20.A OE2 no hydrogen 3.504 N/A GLU 194.A N GLU 190.A O no hydrogen 2.928 N/A TYR 195.A N ARG 191.A O no hydrogen 3.035 N/A ALA 196.A N THR 192.A O no hydrogen 2.984 N/A ARG 197.A N ARG 193.A O no hydrogen 2.762 N/A LYS 198.A N GLU 194.A O no hydrogen 3.162 N/A LEU 199.A N TYR 195.A O no hydrogen 3.231 N/A ALA 200.A N ALA 196.A O no hydrogen 2.870 N/A ASN 201.A N ARG 197.A O no hydrogen 2.911 N/A ASN 201.A ND2 ARG 197.A O no hydrogen 2.776 N/A SER 202.A N LEU 199.A O no hydrogen 3.007 N/A SER 202.A OG LYS 198.A O no hydrogen 3.393 N/A SER 202.A OG LEU 199.A O no hydrogen 2.694 N/A THR 204.A N SER 202.A O no hydrogen 2.764 N/A VAL 207.A N ALA 203.A O no hydrogen 2.956 N/A SER 208.A N THR 204.A O no hydrogen 2.852 N/A SER 208.A OG PRO 99.A O no hydrogen 2.576 N/A ASN 209.A N TYR 205.A O no hydrogen 2.977 N/A ASN 209.A ND2 LEU 230.A O no hydrogen 3.010 N/A ILE 210.A N ALA 206.A O no hydrogen 2.877 N/A LYS 211.A N VAL 207.A O no hydrogen 3.074 N/A LYS 211.A NZ ILE 95.A O no hydrogen 2.811 N/A LYS 211.A NZ SER 98.A O no hydrogen 3.263 N/A LYS 211.A NZ GLN 100.A O no hydrogen 2.996 N/A LYS 211.A NZ ASP 121.A OD1 no hydrogen 3.138 N/A LYS 211.A NZ ASP 121.A OD2 no hydrogen 2.682 N/A LEU 212.A N SER 208.A O no hydrogen 3.057 N/A ALA 213.A N ASN 209.A O no hydrogen 2.881 N/A ILE 214.A N ILE 210.A O no hydrogen 3.052 N/A ASN 215.A ND2 ALA 96.A O no hydrogen 3.208 N/A ASN 215.A ND2 LEU 212.A O no hydrogen 3.253 N/A GLY 216.A N ALA 213.A O no hydrogen 2.891 N/A LYS 217.A N ILE 214.A O no hydrogen 3.101 N/A LYS 217.A NZ GLU 218.A OE2 no hydrogen 2.740 N/A GLU 218.A N ASN 215.A O no hydrogen 3.426 N/A VAL 222.A N PRO 219.A O no hydrogen 3.182 N/A ALA 223.A N PRO 219.A O no hydrogen 2.832 N/A ILE 224.A N LEU 220.A O no hydrogen 3.174 N/A ARG 225.A N VAL 222.A O no hydrogen 2.908 N/A TYR 226.A N VAL 222.A O no hydrogen 3.122 N/A TYR 226.A OH LEU 212.A O no hydrogen 3.339 N/A GLU 227.A N ALA 223.A O no hydrogen 2.984 N/A GLY 228.A N ILE 224.A O no hydrogen 2.825 N/A GLU 229.A N ARG 225.A O no hydrogen 3.057 N/A LEU 230.A N TYR 226.A O no hydrogen 3.186 N/A GLN 231.A N GLU 227.A O no hydrogen 2.968 N/A ASN 232.A N GLY 228.A O no hydrogen 2.911 N/A LEU 233.A N GLU 229.A O no hydrogen 3.082 N/A LEU 234.A N LEU 230.A O no hydrogen 3.192 N/A PHE 235.A N GLN 231.A O no hydrogen 2.811 N/A ARG 236.A N ASN 232.A O no hydrogen 3.152 N/A ARG 236.A N LEU 233.A O no hydrogen 3.298 N/A SER 237.A N LEU 234.A O no hydrogen 3.177 N/A SER 237.A OG LEU 234.A O no hydrogen 2.913 N/A ASP 239.A N ILE 258.A O no hydrogen 2.861 N/A ALA 240.A N SER 237.A OG no hydrogen 3.342 N/A GLU 242.A N GLU 238.A O no hydrogen 2.820 N/A GLY 243.A N ASP 239.A O no hydrogen 2.528 N/A LEU 244.A N ALA 240.A O no hydrogen 2.908 N/A SER 245.A N LYS 241.A O no hydrogen 3.044 N/A SER 245.A OG LYS 241.A O no hydrogen 3.223 N/A ALA 246.A N GLU 242.A O no hydrogen 2.943 N/A PHE 247.A N GLY 243.A O no hydrogen 3.286 N/A LEU 248.A N LEU 244.A O no hydrogen 3.148 N/A GLU 249.A N SER 245.A O no hydrogen 2.677 N/A LYS 250.A N PHE 247.A O no hydrogen 3.258 N/A ARG 251.A N ALA 246.A O no hydrogen 2.769 N/A ARG 251.A NH2 GLU 242.A OE1 no hydrogen 3.549 N/A LYS 256.A N ASP 239.A OD1 no hydrogen 3.017 N/A LYS 256.A NZ GLU 238.A OE1 no hydrogen 2.845 N/A GLY 257.A N ASP 239.A OD2 no hydrogen 3.053 N/A