Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pyl_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 8.A N ASP 5.A O no hydrogen 3.001 N/A VAL 9.A N VAL 83.A O no hydrogen 2.649 N/A ARG 11.A NH1 GLN 86.A O no hydrogen 3.504 N/A LYS 13.A N ALA 10.A O no hydrogen 3.108 N/A ILE 14.A N ARG 11.A O no hydrogen 3.350 N/A THR 15.A N VAL 32.A O no hydrogen 3.132 N/A SER 17.A N GLU 30.A O no hydrogen 2.936 N/A LEU 20.A N VAL 28.A O no hydrogen 2.846 N/A GLY 21.A N VAL 28.A O no hydrogen 3.447 N/A GLN 22.A NE2 GLY 23.A O no hydrogen 2.565 N/A GLY 26.A N GLY 23.A O no hydrogen 3.339 N/A TYR 29.A N ILE 47.A O no hydrogen 2.752 N/A GLU 30.A N ARG 18.A O no hydrogen 2.854 N/A VAL 32.A N THR 15.A O no hydrogen 2.880 N/A ALA 33.A N THR 43.A O no hydrogen 3.053 N/A GLY 35.A N PRO 41.A O no hydrogen 3.428 N/A LYS 38.A NZ ASP 39.A OD2 no hydrogen 3.291 N/A THR 43.A OG1 GLU 40.A OE1 no hydrogen 2.289 N/A ARG 44.A NH2 GLU 30.A OE1 no hydrogen 3.253 N/A VAL 45.A N GLY 31.A O no hydrogen 3.180 N/A ALA 46.A N MET 94.A O no hydrogen 3.012 N/A ILE 47.A N TYR 29.A O no hydrogen 2.877 N/A LYS 48.A N VAL 92.A O no hydrogen 2.929 N/A THR 49.A N MET 27.A O no hydrogen 3.114 N/A THR 49.A OG1 MET 27.A O no hydrogen 2.570 N/A VAL 50.A N THR 90.A O no hydrogen 3.024 N/A GLU 52.A N GLU 52.A OE1 no hydrogen 2.982 N/A GLU 58.A N SER 55.A O no hydrogen 3.117 N/A GLU 61.A N ARG 57.A O no hydrogen 3.275 N/A LEU 63.A N ARG 59.A O no hydrogen 3.474 N/A ASN 64.A N ILE 60.A O no hydrogen 3.019 N/A ASN 64.A ND2 ILE 60.A O no hydrogen 3.680 N/A GLU 65.A N GLU 61.A O no hydrogen 3.231 N/A ALA 66.A N PHE 62.A O no hydrogen 3.290 N/A SER 67.A N LEU 63.A O no hydrogen 2.832 N/A VAL 68.A N GLU 65.A O no hydrogen 3.219 N/A MET 69.A N ALA 66.A O no hydrogen 3.216 N/A LYS 70.A N SER 67.A O no hydrogen 3.450 N/A LYS 70.A NZ ASP 5.A OD1 no hydrogen 2.841 N/A LYS 70.A NZ ASP 5.A OD2 no hydrogen 2.768 N/A LYS 70.A NZ SER 67.A OG no hydrogen 2.932 N/A GLU 71.A N VAL 68.A O no hydrogen 3.426 N/A PHE 72.A N MET 69.A O no hydrogen 3.297 N/A CYS 74.A SG ASP 128.A OD1 no hydrogen 3.656 N/A HIS 76.A ND1 VAL 156.A O no hydrogen 2.951 N/A VAL 77.A N CYS 74.A O no hydrogen 3.152 N/A VAL 78.A N ILE 158.A O no hydrogen 2.942 N/A ARG 79.A N GLU 95.A OE2 no hydrogen 2.876 N/A LEU 81.A N ILE 93.A O no hydrogen 2.869 N/A GLY 82.A N ILE 93.A O no hydrogen 3.400 N/A VAL 83.A N TRP 7.A O no hydrogen 3.257 N/A VAL 84.A N LEU 91.A O no hydrogen 2.955 N/A SER 85.A N GLU 8.A OE1 no hydrogen 2.470 N/A THR 90.A OG1 GLY 87.A O no hydrogen 2.951 N/A LEU 91.A N VAL 84.A O no hydrogen 3.287 N/A VAL 92.A N LYS 48.A O no hydrogen 2.933 N/A ILE 93.A N GLY 82.A O no hydrogen 3.104 N/A GLU 95.A N ARG 79.A O no hydrogen 2.883 N/A LEU 96.A N ARG 44.A O no hydrogen 3.250 N/A THR 98.A OG1 GLU 152.A OE1 no hydrogen 3.044 N/A ARG 99.A N VAL 150.A O no hydrogen 3.075 N/A ARG 99.A NE GLU 152.A O no hydrogen 2.717 N/A ARG 99.A NH2 GLU 152.A O no hydrogen 2.970 N/A GLY 100.A N MET 97.A O no hydrogen 3.428 N/A LEU 102.A N CYS 148.A O no hydrogen 2.871 N/A LYS 103.A N ALA 145.A O no hydrogen 3.135 N/A LYS 103.A NZ ASP 171.A OD2 no hydrogen 2.785 N/A LYS 103.A NZ GLN 218.A OE1 no hydrogen 2.941 N/A SER 104.A N ASP 101.A OD1 no hydrogen 2.842 N/A SER 104.A OG ASP 101.A OD1 no hydrogen 3.378 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 2.709 N/A SER 104.A OG TYR 168.A OH no hydrogen 2.625 N/A TYR 105.A N ASP 101.A O no hydrogen 3.252 N/A LEU 106.A N LEU 102.A O no hydrogen 2.988 N/A ARG 107.A N LYS 103.A O no hydrogen 3.043 N/A ARG 107.A N SER 104.A O no hydrogen 3.170 N/A ARG 107.A NE ALA 216.A O no hydrogen 3.019 N/A ARG 107.A NH2 ALA 216.A O no hydrogen 3.058 N/A ARG 107.A NH2 GLN 218.A OE1 no hydrogen 2.858 N/A SER 108.A N SER 104.A O no hydrogen 2.857 N/A SER 108.A OG SER 104.A O no hydrogen 3.411 N/A SER 108.A OG TYR 105.A O no hydrogen 2.333 N/A LEU 109.A N TYR 105.A O no hydrogen 3.282 N/A ARG 110.A N ARG 107.A O no hydrogen 3.199 N/A ARG 110.A NE LEU 215.A O no hydrogen 2.840 N/A MET 119.A N SER 115.A O no hydrogen 3.085 N/A ILE 120.A N LEU 116.A O no hydrogen 2.700 N/A GLN 121.A N SER 117.A O no hydrogen 2.723 N/A GLN 121.A NE2 GLU 125.A OE2 no hydrogen 3.062 N/A MET 122.A N LYS 118.A O no hydrogen 3.021 N/A ALA 123.A N MET 119.A O no hydrogen 2.961 N/A GLY 124.A N ILE 120.A O no hydrogen 2.868 N/A GLU 125.A N GLN 121.A O no hydrogen 3.159 N/A ILE 126.A N MET 122.A O no hydrogen 2.957 N/A ALA 127.A N ALA 123.A O no hydrogen 3.147 N/A ASP 128.A N GLY 124.A O no hydrogen 3.011 N/A GLY 129.A N GLU 125.A O no hydrogen 3.473 N/A MET 130.A N ILE 126.A O no hydrogen 3.262 N/A ALA 131.A N ALA 127.A O no hydrogen 2.653 N/A TYR 132.A N ASP 128.A O no hydrogen 3.078 N/A LEU 133.A N GLY 129.A O no hydrogen 2.904 N/A ASN 134.A N MET 130.A O no hydrogen 2.773 N/A ASN 134.A ND2 PHE 138.A O no hydrogen 2.689 N/A ASN 134.A ND2 ASP 201.A OD2 no hydrogen 3.031 N/A ALA 135.A N ALA 131.A O no hydrogen 2.974 N/A ASN 136.A N TYR 132.A O no hydrogen 3.061 N/A ASN 136.A N LEU 133.A O no hydrogen 2.985 N/A ASN 136.A ND2 TYR 132.A O no hydrogen 2.442 N/A LYS 137.A N ASN 134.A O no hydrogen 3.145 N/A PHE 138.A N LEU 133.A O no hydrogen 2.971 N/A HIS 140.A N ASP 201.A OD2 no hydrogen 3.153 N/A HIS 140.A NE2 GLY 159.A O no hydrogen 2.788 N/A ARG 141.A N ASP 201.A OD1 no hydrogen 3.275 N/A ASP 142.A N HIS 140.A ND1 no hydrogen 3.063 N/A ALA 145.A N GLU 211.A OE1 no hydrogen 2.913 N/A ARG 146.A NE TYR 172.A OH no hydrogen 2.573 N/A ARG 146.A NH2 ASP 142.A OD1 no hydrogen 2.593 N/A ASN 147.A N ALA 144.A O no hydrogen 2.805 N/A ASN 147.A ND2 ASP 142.A O no hydrogen 2.623 N/A ASN 147.A ND2 ASP 142.A OD2 no hydrogen 2.576 N/A CYS 148.A N ALA 144.A O no hydrogen 3.262 N/A CYS 148.A SG ALA 144.A O no hydrogen 3.599 N/A MET 149.A N LYS 157.A O no hydrogen 2.680 N/A VAL 150.A N GLY 100.A O no hydrogen 2.837 N/A ALA 151.A N THR 155.A O no hydrogen 2.976 N/A PHE 154.A N ALA 151.A O no hydrogen 2.870 N/A THR 155.A N ASP 153.A OD1 no hydrogen 3.233 N/A THR 155.A OG1 ASP 153.A OD1 no hydrogen 2.200 N/A VAL 156.A N GLU 125.A OE1 no hydrogen 2.971 N/A LYS 157.A N MET 149.A O no hydrogen 2.770 N/A LYS 157.A NZ HIS 75.A O no hydrogen 3.001 N/A LYS 157.A NZ GLU 95.A OE1 no hydrogen 2.947 N/A LYS 157.A NZ GLU 95.A OE2 no hydrogen 3.361 N/A ILE 158.A N HIS 76.A O no hydrogen 3.005 N/A GLY 159.A N ASN 147.A O no hydrogen 2.853 N/A PHE 161.A N ASN 147.A OD1 no hydrogen 3.147 N/A ARG 165.A NH1 ARG 146.A O no hydrogen 3.290 N/A ARG 165.A NH2 ARG 146.A O no hydrogen 2.995 N/A TYR 168.A N ARG 165.A O no hydrogen 3.036 N/A TYR 168.A OH ASP 101.A OD1 no hydrogen 2.839 N/A TYR 168.A OH ASP 101.A OD2 no hydrogen 3.333 N/A TYR 168.A OH SER 104.A OG no hydrogen 2.625 N/A GLU 169.A N ASP 166.A O no hydrogen 3.392 N/A THR 170.A OG1 ASP 171.A OD1 no hydrogen 3.331 N/A ASP 171.A N TYR 168.A O no hydrogen 2.941 N/A TYR 172.A N GLU 169.A O no hydrogen 3.201 N/A TYR 172.A OH ASP 142.A OD1 no hydrogen 2.882 N/A TYR 172.A OH ASP 142.A OD2 no hydrogen 2.901 N/A TYR 173.A N LEU 181.A O no hydrogen 2.792 N/A LYS 175.A NZ LEU 191.A O no hydrogen 3.268 N/A GLY 177.A N ARG 174.A O no hydrogen 3.243 N/A LEU 181.A N TYR 173.A O no hydrogen 2.653 N/A VAL 183.A N LEU 181.A O no hydrogen 2.903 N/A ARG 184.A NH1 PRO 219.A O no hydrogen 2.583 N/A ARG 184.A NH1 TYR 220.A O no hydrogen 2.956 N/A ARG 184.A NH2 LEU 223.A O no hydrogen 2.515 N/A TRP 185.A N PRO 182.A O no hydrogen 2.761 N/A TRP 185.A NE1 GLU 211.A OE1 no hydrogen 3.075 N/A MET 186.A N VAL 183.A O no hydrogen 3.133 N/A SER 187.A OG SER 190.A OG no hydrogen 2.844 N/A GLU 189.A N GLU 189.A OE1 no hydrogen 3.134 N/A SER 190.A N SER 187.A OG no hydrogen 2.857 N/A SER 190.A OG SER 187.A OG no hydrogen 2.844 N/A SER 190.A OG VAL 195.A O no hydrogen 2.481 N/A LEU 191.A N SER 187.A O no hydrogen 2.900 N/A LYS 192.A N PRO 188.A O no hydrogen 3.052 N/A ASP 193.A N GLU 189.A O no hydrogen 2.927 N/A VAL 195.A N GLU 189.A O no hydrogen 3.358 N/A THR 197.A N SER 200.A OG no hydrogen 3.011 N/A TYR 199.A N THR 197.A OG1 no hydrogen 3.100 N/A SER 200.A N THR 197.A OG1 no hydrogen 2.953 N/A SER 200.A OG THR 197.A O no hydrogen 2.763 N/A VAL 202.A N THR 198.A O no hydrogen 3.013 N/A TRP 203.A N TYR 199.A O no hydrogen 3.114 N/A SER 204.A N SER 200.A O no hydrogen 3.245 N/A SER 204.A OG TRP 185.A O no hydrogen 2.581 N/A SER 204.A OG SER 200.A O no hydrogen 3.373 N/A PHE 205.A N ASP 201.A O no hydrogen 2.787 N/A PHE 205.A N VAL 202.A O no hydrogen 3.228 N/A GLY 206.A N VAL 202.A O no hydrogen 3.163 N/A VAL 207.A N TRP 203.A O no hydrogen 3.181 N/A VAL 208.A N SER 204.A O no hydrogen 3.052 N/A LEU 209.A N PHE 205.A O no hydrogen 2.799 N/A TRP 210.A N GLY 206.A O no hydrogen 3.034 N/A TRP 210.A NE1 ASP 239.A O no hydrogen 2.957 N/A GLU 211.A N VAL 207.A O no hydrogen 2.859 N/A ILE 212.A N VAL 208.A O no hydrogen 2.752 N/A ALA 213.A N LEU 209.A O no hydrogen 3.069 N/A THR 214.A N GLU 211.A O no hydrogen 2.950 N/A THR 214.A OG1 TRP 210.A O no hydrogen 2.650 N/A THR 214.A OG1 GLU 211.A O no hydrogen 2.942 N/A ALA 216.A N GLU 211.A O no hydrogen 2.810 N/A GLN 218.A NE2 ASP 171.A OD1 no hydrogen 2.979 N/A LEU 223.A N TYR 220.A O no hydrogen 3.108 N/A SER 224.A N GLN 227.A OE1 no hydrogen 3.308 N/A SER 224.A OG GLN 227.A OE1 no hydrogen 3.166 N/A GLN 227.A N SER 224.A O no hydrogen 2.942 N/A GLN 227.A N SER 224.A OG no hydrogen 3.413 N/A VAL 228.A N SER 224.A O no hydrogen 3.100 N/A VAL 228.A N ASN 225.A O no hydrogen 3.255 N/A LEU 229.A N ASN 225.A O no hydrogen 3.332 N/A ARG 230.A N GLU 226.A O no hydrogen 3.172 N/A PHE 231.A N GLN 227.A O no hydrogen 2.724 N/A VAL 232.A N VAL 228.A O no hydrogen 2.704 N/A MET 233.A N LEU 229.A O no hydrogen 2.979 N/A GLU 234.A N ARG 230.A O no hydrogen 2.975 N/A GLY 235.A N VAL 232.A O no hydrogen 2.838 N/A GLY 236.A N PHE 231.A O no hydrogen 2.882 N/A CYS 244.A N PRO 241.A O no hydrogen 3.097 N/A CYS 244.A SG PRO 245.A O no hydrogen 3.291 N/A PHE 249.A N PRO 245.A O no hydrogen 3.202 N/A GLU 250.A N ASP 246.A O no hydrogen 2.865 N/A LEU 251.A N MET 247.A O no hydrogen 3.210 N/A MET 252.A N LEU 248.A O no hydrogen 3.245 N/A ARG 253.A N PHE 249.A O no hydrogen 3.226 N/A MET 254.A N GLU 250.A O no hydrogen 3.217 N/A CYS 255.A N LEU 251.A O no hydrogen 2.929 N/A CYS 255.A SG LEU 251.A O no hydrogen 3.200 N/A TRP 256.A N ARG 253.A O no hydrogen 3.015 N/A GLN 257.A N MET 254.A O no hydrogen 3.457 N/A GLN 257.A NE2 ARG 253.A O no hydrogen 3.528 N/A TYR 258.A OH MET 233.A O no hydrogen 2.727 N/A MET 262.A N ASN 259.A O no hydrogen 2.854 N/A ARG 263.A N PRO 260.A O no hydrogen 3.165 N/A ARG 263.A NE GLN 257.A O no hydrogen 2.591 N/A ARG 263.A NH1 GLU 189.A OE1 no hydrogen 3.494 N/A ARG 263.A NH1 GLU 189.A OE2 no hydrogen 2.688 N/A ARG 263.A NH1 TYR 199.A O no hydrogen 3.026 N/A ARG 263.A NH2 GLU 189.A OE1 no hydrogen 2.866 N/A ARG 263.A NH2 GLN 257.A O no hydrogen 3.136 N/A SER 265.A N GLU 268.A OE1 no hydrogen 2.711 N/A SER 265.A OG GLU 268.A OE1 no hydrogen 3.373 N/A GLU 268.A N SER 265.A OG no hydrogen 2.727 N/A ILE 269.A N SER 265.A O no hydrogen 2.967 N/A ILE 270.A N PHE 266.A O no hydrogen 2.714 N/A SER 271.A N LEU 267.A O no hydrogen 2.853 N/A SER 272.A N GLU 268.A O no hydrogen 2.767 N/A ILE 273.A N ILE 269.A O no hydrogen 2.861 N/A LYS 274.A N ILE 270.A O no hydrogen 2.974 N/A LYS 274.A N SER 271.A O no hydrogen 3.035 N/A MET 277.A N GLU 275.A O no hydrogen 2.836 N/A