Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8pyk_AAA.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N ASP 5.A OD1 no hydrogen 3.223 N/A GLU 8.A N ASP 5.A O no hydrogen 3.102 N/A VAL 9.A N VAL 83.A O no hydrogen 2.797 N/A ARG 11.A NH1 PRO 89.A O no hydrogen 2.568 N/A ARG 11.A NH2 GLN 86.A O no hydrogen 2.675 N/A ARG 11.A NH2 PRO 89.A O no hydrogen 2.936 N/A GLU 12.A N GLU 12.A OE1 no hydrogen 2.936 N/A LYS 13.A N ALA 10.A O no hydrogen 2.924 N/A ILE 14.A N ARG 11.A O no hydrogen 3.271 N/A THR 15.A N VAL 32.A O no hydrogen 2.953 N/A SER 17.A N GLU 30.A O no hydrogen 3.025 N/A SER 17.A OG GLU 30.A O no hydrogen 3.347 N/A LEU 20.A N VAL 28.A O no hydrogen 2.917 N/A GLN 22.A NE2 GLY 23.A O no hydrogen 3.553 N/A VAL 28.A N GLY 21.A O no hydrogen 3.327 N/A TYR 29.A N ILE 47.A O no hydrogen 2.820 N/A GLU 30.A N ARG 18.A O no hydrogen 2.998 N/A GLY 31.A N VAL 45.A O no hydrogen 2.904 N/A VAL 32.A N THR 15.A O no hydrogen 2.923 N/A ALA 33.A N THR 43.A O no hydrogen 2.811 N/A GLY 35.A N PRO 41.A O no hydrogen 2.681 N/A LYS 38.A NZ ASP 39.A OD2 no hydrogen 3.190 N/A THR 43.A N ALA 33.A O no hydrogen 2.762 N/A THR 43.A OG1 GLU 40.A OE1 no hydrogen 2.476 N/A ARG 44.A NH2 GLU 30.A OE2 no hydrogen 2.722 N/A VAL 45.A N GLY 31.A O no hydrogen 2.963 N/A ALA 46.A N MET 94.A O no hydrogen 2.778 N/A ILE 47.A N TYR 29.A O no hydrogen 2.762 N/A LYS 48.A N VAL 92.A O no hydrogen 3.075 N/A THR 49.A N MET 27.A O no hydrogen 3.060 N/A THR 49.A OG1 MET 27.A O no hydrogen 2.559 N/A VAL 50.A N THR 90.A O no hydrogen 2.915 N/A ASN 51.A N PHE 25.A O no hydrogen 2.490 N/A ALA 54.A N ASN 51.A O no hydrogen 3.166 N/A ARG 59.A N SER 55.A O no hydrogen 3.231 N/A ILE 60.A N MET 56.A O no hydrogen 3.201 N/A GLU 61.A N ARG 57.A O no hydrogen 2.931 N/A PHE 62.A N GLU 58.A O no hydrogen 3.092 N/A LEU 63.A N ARG 59.A O no hydrogen 3.260 N/A ASN 64.A N ILE 60.A O no hydrogen 3.014 N/A ASN 64.A ND2 VAL 1.A O no hydrogen 3.145 N/A GLU 65.A N GLU 61.A O no hydrogen 2.907 N/A ALA 66.A N PHE 62.A O no hydrogen 2.987 N/A SER 67.A N LEU 63.A O no hydrogen 2.969 N/A SER 67.A OG LEU 63.A O no hydrogen 2.706 N/A VAL 68.A N GLU 65.A O no hydrogen 3.195 N/A MET 69.A N ALA 66.A O no hydrogen 3.070 N/A LYS 70.A N SER 67.A O no hydrogen 3.140 N/A LYS 70.A NZ TYR 2.A OH no hydrogen 3.051 N/A LYS 70.A NZ ASP 5.A OD1 no hydrogen 3.321 N/A LYS 70.A NZ ASP 5.A OD2 no hydrogen 2.887 N/A LYS 70.A NZ SER 67.A OG no hydrogen 3.369 N/A GLU 71.A N VAL 68.A O no hydrogen 3.304 N/A PHE 72.A N MET 69.A O no hydrogen 3.213 N/A ASN 73.A N TYR 129.A OH no hydrogen 3.010 N/A CYS 74.A SG ASP 125.A OD1 no hydrogen 3.626 N/A HIS 76.A ND1 VAL 153.A O no hydrogen 2.734 N/A VAL 77.A N CYS 74.A O no hydrogen 3.076 N/A VAL 78.A N ILE 155.A O no hydrogen 2.932 N/A ARG 79.A N GLU 95.A OE2 no hydrogen 3.329 N/A ARG 79.A NH2.B ASN 73.A OD1 no hydrogen 3.195 N/A LEU 81.A N ILE 93.A O no hydrogen 2.866 N/A VAL 83.A N TRP 7.A O no hydrogen 2.719 N/A VAL 84.A N LEU 91.A O no hydrogen 2.836 N/A SER 85.A N GLU 8.A OE1 no hydrogen 2.973 N/A SER 85.A OG GLU 8.A OE1 no hydrogen 3.167 N/A SER 85.A OG GLU 8.A OE2 no hydrogen 2.653 N/A GLN 86.A NE2 SER 85.A OG no hydrogen 3.196 N/A LEU 91.A N VAL 84.A O no hydrogen 3.103 N/A VAL 92.A N LYS 48.A O no hydrogen 3.104 N/A ILE 93.A N GLY 82.A O no hydrogen 2.943 N/A MET 94.A N ALA 46.A O no hydrogen 2.836 N/A GLU 95.A N ARG 79.A O no hydrogen 2.951 N/A THR 98.A OG1 GLU 149.A OE2 no hydrogen 2.592 N/A ARG 99.A N VAL 147.A O no hydrogen 3.237 N/A ARG 99.A NE GLU 149.A O no hydrogen 2.786 N/A ARG 99.A NH2 GLU 149.A O no hydrogen 2.813 N/A GLY 100.A N MET 97.A O no hydrogen 3.136 N/A LEU 102.A N ALA 142.A O no hydrogen 3.193 N/A LEU 102.A N CYS 145.A O no hydrogen 2.755 N/A LYS 103.A NZ ASP 168.A OD1 no hydrogen 3.277 N/A LYS 103.A NZ ASP 168.A OD2 no hydrogen 2.766 N/A SER 104.A N ASP 101.A OD1 no hydrogen 2.870 N/A SER 104.A OG ASP 101.A OD1 no hydrogen 3.294 N/A SER 104.A OG ASP 101.A OD2 no hydrogen 2.772 N/A SER 104.A OG TYR 165.A OH no hydrogen 2.769 N/A TYR 105.A N ASP 101.A O no hydrogen 3.192 N/A LEU 106.A N LEU 102.A O no hydrogen 2.885 N/A ARG 107.A N LYS 103.A O no hydrogen 2.963 N/A ARG 107.A NE ALA 213.A O no hydrogen 2.892 N/A ARG 107.A NH2 ALA 213.A O no hydrogen 2.765 N/A SER 108.A N SER 104.A O no hydrogen 2.854 N/A SER 108.A OG TYR 105.A O no hydrogen 2.524 N/A LEU 109.A N TYR 105.A O no hydrogen 3.268 N/A LEU 109.A N LEU 106.A O no hydrogen 3.025 N/A ARG 110.A N ARG 107.A O no hydrogen 3.129 N/A ARG 110.A NE LEU 212.A O no hydrogen 3.119 N/A ARG 110.A NH2 LEU 212.A O no hydrogen 3.002 N/A MET 116.A N SER 112.A O no hydrogen 3.095 N/A ILE 117.A N LEU 113.A O no hydrogen 2.811 N/A GLN 118.A N SER 114.A O no hydrogen 2.910 N/A GLN 118.A NE2 GLU 122.A OE2 no hydrogen 2.835 N/A MET 119.A N LYS 115.A O no hydrogen 2.962 N/A ALA 120.A N MET 116.A O no hydrogen 2.876 N/A GLY 121.A N ILE 117.A O no hydrogen 2.801 N/A GLU 122.A N GLN 118.A O no hydrogen 3.080 N/A ILE 123.A N MET 119.A O no hydrogen 3.054 N/A ALA 124.A N ALA 120.A O no hydrogen 2.902 N/A ASP 125.A N GLY 121.A O no hydrogen 2.772 N/A GLY 126.A N GLU 122.A O no hydrogen 3.220 N/A MET 127.A N ILE 123.A O no hydrogen 3.093 N/A ALA 128.A N ALA 124.A O no hydrogen 2.949 N/A TYR 129.A N ASP 125.A O no hydrogen 3.263 N/A LEU 130.A N GLY 126.A O no hydrogen 2.947 N/A ASN 131.A N MET 127.A O no hydrogen 2.813 N/A ASN 131.A ND2 PHE 135.A O no hydrogen 2.876 N/A ASN 131.A ND2 ASP 198.A OD2 no hydrogen 3.034 N/A ALA 132.A N ALA 128.A O no hydrogen 2.941 N/A ASN 133.A N TYR 129.A O no hydrogen 3.249 N/A ASN 133.A N LEU 130.A O no hydrogen 3.017 N/A ASN 133.A ND2 TYR 129.A O no hydrogen 2.683 N/A LYS 134.A N ASN 131.A O no hydrogen 3.103 N/A PHE 135.A N LEU 130.A O no hydrogen 2.902 N/A HIS 137.A N ASP 198.A OD2 no hydrogen 2.815 N/A HIS 137.A NE2 GLY 156.A O no hydrogen 2.865 N/A ARG 138.A N ASP 198.A OD1 no hydrogen 3.337 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 2.979 N/A ALA 142.A N GLU 208.A OE1 no hydrogen 2.907 N/A ARG 143.A NE TYR 169.A OH no hydrogen 2.823 N/A ARG 143.A NH1 ASP 168.A OD2 no hydrogen 2.685 N/A ARG 143.A NH2 ASP 139.A OD1 no hydrogen 3.001 N/A ASN 144.A N ALA 141.A O no hydrogen 2.898 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.770 N/A CYS 145.A N ALA 142.A O no hydrogen 3.026 N/A CYS 145.A SG ALA 141.A O no hydrogen 3.544 N/A MET 146.A N LYS 154.A O no hydrogen 2.763 N/A VAL 147.A N GLY 100.A O no hydrogen 2.952 N/A ALA 148.A N THR 152.A O no hydrogen 3.001 N/A PHE 151.A N ALA 148.A O no hydrogen 2.905 N/A THR 152.A N ASP 150.A OD1 no hydrogen 3.164 N/A THR 152.A OG1 ASP 150.A OD1 no hydrogen 2.354 N/A VAL 153.A N GLU 122.A OE1 no hydrogen 2.832 N/A LYS 154.A N MET 146.A O no hydrogen 2.758 N/A LYS 154.A NZ HIS 75.A O no hydrogen 3.075 N/A LYS 154.A NZ GLU 95.A OE1 no hydrogen 3.076 N/A LYS 154.A NZ GLU 95.A OE2 no hydrogen 2.935 N/A ILE 155.A N HIS 76.A O no hydrogen 2.882 N/A GLY 156.A N ASN 144.A O no hydrogen 2.902 N/A PHE 158.A N ASN 144.A OD1 no hydrogen 3.164 N/A ASP 163.A N THR 161.A OG1 no hydrogen 3.191 N/A TYR 165.A OH SER 104.A OG no hydrogen 2.769 N/A GLU 166.A N ASP 163.A O no hydrogen 3.036 N/A ASP 168.A N TYR 165.A O no hydrogen 2.707 N/A TYR 169.A N GLU 166.A O no hydrogen 3.312 N/A TYR 169.A OH ASP 139.A OD1 no hydrogen 3.354 N/A TYR 169.A OH ASP 139.A OD2 no hydrogen 2.361 N/A TYR 170.A N LEU 178.A O no hydrogen 2.930 N/A ARG 171.A NH1 GLY 173.A O no hydrogen 3.298 N/A LYS 172.A N GLY 176.A O no hydrogen 2.906 N/A LEU 178.A N TYR 170.A O no hydrogen 2.744 N/A VAL 180.A N LEU 178.A O no hydrogen 2.837 N/A ARG 181.A NH1 PRO 216.A O no hydrogen 3.001 N/A ARG 181.A NH1 TYR 217.A O no hydrogen 2.887 N/A ARG 181.A NH1 LEU 220.A O no hydrogen 3.215 N/A ARG 181.A NH2 LEU 220.A O no hydrogen 2.786 N/A ARG 181.A NH2 ASN 222.A OD1 no hydrogen 3.459 N/A TRP 182.A N PRO 179.A O no hydrogen 2.882 N/A TRP 182.A NE1 GLU 208.A OE1 no hydrogen 2.820 N/A MET 183.A N VAL 180.A O no hydrogen 3.163 N/A SER 184.A OG SER 187.A OG no hydrogen 2.818 N/A GLU 186.A N GLU 186.A OE1 no hydrogen 2.769 N/A SER 187.A N SER 184.A OG no hydrogen 3.190 N/A SER 187.A OG SER 184.A OG no hydrogen 2.818 N/A SER 187.A OG VAL 192.A O no hydrogen 2.671 N/A LEU 188.A N SER 184.A O no hydrogen 2.964 N/A LYS 189.A N PRO 185.A O no hydrogen 3.016 N/A LYS 189.A NZ TYR 255.A OH no hydrogen 3.133 N/A ASP 190.A N GLU 186.A O no hydrogen 2.998 N/A GLY 191.A N SER 187.A O no hydrogen 2.967 N/A VAL 192.A N GLU 186.A O no hydrogen 3.300 N/A THR 194.A N SER 197.A OG no hydrogen 2.803 N/A THR 195.A OG1 ASN 131.A OD1 no hydrogen 2.482 N/A SER 197.A N THR 194.A O no hydrogen 2.906 N/A SER 197.A N THR 194.A OG1 no hydrogen 3.290 N/A SER 197.A OG THR 194.A O no hydrogen 2.764 N/A ASP 198.A N THR 194.A O no hydrogen 2.965 N/A VAL 199.A N THR 195.A O no hydrogen 2.936 N/A TRP 200.A N TYR 196.A O no hydrogen 3.153 N/A SER 201.A N SER 197.A O no hydrogen 3.237 N/A SER 201.A OG TRP 182.A O no hydrogen 2.722 N/A SER 201.A OG SER 197.A O no hydrogen 3.499 N/A PHE 202.A N ASP 198.A O no hydrogen 2.987 N/A GLY 203.A N VAL 199.A O no hydrogen 3.110 N/A VAL 204.A N TRP 200.A O no hydrogen 3.281 N/A VAL 205.A N SER 201.A O no hydrogen 2.907 N/A LEU 206.A N PHE 202.A O no hydrogen 2.932 N/A TRP 207.A N GLY 203.A O no hydrogen 3.038 N/A TRP 207.A NE1 ASP 236.A O no hydrogen 2.848 N/A GLU 208.A N VAL 204.A O no hydrogen 2.840 N/A ILE 209.A N VAL 205.A O no hydrogen 2.830 N/A ALA 210.A N LEU 206.A O no hydrogen 2.889 N/A THR 211.A N TRP 207.A O no hydrogen 2.994 N/A THR 211.A OG1 TRP 207.A O no hydrogen 3.035 N/A THR 211.A OG1 GLU 208.A O no hydrogen 3.443 N/A LEU 212.A N ILE 209.A O no hydrogen 3.274 N/A ALA 213.A N GLU 208.A O no hydrogen 2.631 N/A GLU 214.A N THR 211.A OG1 no hydrogen 3.176 N/A GLN 215.A NE2 ASP 168.A OD1 no hydrogen 3.097 N/A LEU 220.A N TYR 217.A O no hydrogen 2.952 N/A SER 221.A N GLN 224.A OE1 no hydrogen 2.865 N/A GLN 224.A N SER 221.A OG no hydrogen 3.332 N/A VAL 225.A N SER 221.A O no hydrogen 2.919 N/A LEU 226.A N ASN 222.A O no hydrogen 3.200 N/A ARG 227.A N GLU 223.A O no hydrogen 3.166 N/A PHE 228.A N GLN 224.A O no hydrogen 2.870 N/A VAL 229.A N VAL 225.A O no hydrogen 2.853 N/A MET 230.A N LEU 226.A O no hydrogen 2.982 N/A GLU 231.A N ARG 227.A O no hydrogen 3.065 N/A GLY 232.A N VAL 229.A O no hydrogen 3.094 N/A GLY 233.A N PHE 228.A O no hydrogen 2.907 N/A LYS 237.A NZ ASP 243.A OD1 no hydrogen 3.139 N/A CYS 241.A N PRO 238.A O no hydrogen 3.192 N/A CYS 241.A SG PRO 242.A O no hydrogen 3.436 N/A LEU 245.A N PRO 242.A O no hydrogen 3.215 N/A PHE 246.A N PRO 242.A O no hydrogen 3.338 N/A GLU 247.A N ASP 243.A O no hydrogen 2.954 N/A LEU 248.A N MET 244.A O no hydrogen 3.127 N/A MET 249.A N LEU 245.A O no hydrogen 3.159 N/A ARG 250.A N PHE 246.A O no hydrogen 3.044 N/A MET 251.A N GLU 247.A O no hydrogen 2.995 N/A CYS 252.A N LEU 248.A O no hydrogen 3.163 N/A CYS 252.A SG LEU 248.A O no hydrogen 3.451 N/A TRP 253.A N ARG 250.A O no hydrogen 3.107 N/A TYR 255.A OH MET 230.A O no hydrogen 2.477 N/A LYS 258.A N ASN 256.A OD1 no hydrogen 2.936 N/A MET 259.A N ASN 256.A O no hydrogen 3.159 N/A ARG 260.A N PRO 257.A O no hydrogen 3.241 N/A ARG 260.A NE GLN 254.A O no hydrogen 2.789 N/A ARG 260.A NH1 GLU 186.A OE1 no hydrogen 3.553 N/A ARG 260.A NH1 GLU 186.A OE2 no hydrogen 2.785 N/A ARG 260.A NH1 TYR 196.A O no hydrogen 2.884 N/A ARG 260.A NH2 GLU 186.A OE1 no hydrogen 2.934 N/A ARG 260.A NH2 GLN 254.A O no hydrogen 3.147 N/A ARG 260.A NH2 TYR 255.A O no hydrogen 3.085 N/A SER 262.A N GLU 265.A OE2 no hydrogen 3.148 N/A GLU 265.A N SER 262.A OG no hydrogen 3.015 N/A ILE 266.A N SER 262.A O no hydrogen 2.986 N/A ILE 267.A N PHE 263.A O no hydrogen 2.933 N/A SER 268.A N LEU 264.A O no hydrogen 3.038 N/A SER 268.A OG LEU 264.A O no hydrogen 3.401 N/A SER 269.A N GLU 265.A O no hydrogen 3.033 N/A SER 269.A OG ILE 266.A O no hydrogen 3.301 N/A ILE 270.A N ILE 266.A O no hydrogen 2.926 N/A LYS 271.A N ILE 267.A O no hydrogen 2.921 N/A GLU 272.A N SER 268.A O no hydrogen 2.990 N/A