Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyh_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH HIS 7.A ND1 no hydrogen 2.658 N/A HIS 7.A ND1 TYR 5.A OH no hydrogen 2.658 N/A GLU 8.A N GLU 8.A OE1 no hydrogen 2.740 N/A LEU 9.A N ARG 6.A O.A no hydrogen 3.065 N/A LEU 9.A N ARG 6.A O.B no hydrogen 3.079 N/A GLY 10.A N HIS 7.A O no hydrogen 2.949 N/A ASN 12.A N SER 24.A OG no hydrogen 2.949 N/A ASN 14.A N VAL 22.A O no hydrogen 2.954 N/A ILE 16.A N LEU 20.A O no hydrogen 2.794 N/A ARG 17.A N LEU 20.A O no hydrogen 3.310 N/A ARG 17.A NE ASP 19.A OD1 no hydrogen 2.817 N/A ARG 17.A NH1 TYR 134.A OH no hydrogen 2.892 N/A ARG 17.A NH2 ASP 19.A OD2 no hydrogen 3.121 N/A LEU 20.A N ARG 17.A O no hydrogen 3.067 N/A ILE 21.A N THR 109.A O no hydrogen 2.830 N/A VAL 22.A N ASN 14.A O no hydrogen 3.054 N/A GLY 23.A N VAL 111.A O no hydrogen 3.030 N/A SER 24.A N ASN 12.A O no hydrogen 2.771 N/A SER 24.A OG ASN 12.A O no hydrogen 3.328 N/A CYS 25.A N THR 114.A O no hydrogen 2.966 N/A CYS 25.A SG TYR 5.A OH no hydrogen 3.359 N/A CYS 25.A SG THR 114.A O no hydrogen 3.661 N/A GLN 27.A N ASP 31.A OD2 no hydrogen 2.790 N/A GLN 27.A NE2 HIS 7.A O no hydrogen 2.801 N/A THR 28.A N ASP 31.A OD2 no hydrogen 3.415 N/A THR 28.A OG1 GLU 30.A OE1 no hydrogen 3.405 N/A ASP 31.A N THR 28.A O no hydrogen 3.066 N/A VAL 32.A N PRO 29.A O no hydrogen 2.985 N/A LYS 34.A N.A GLU 30.A O no hydrogen 3.331 N/A LYS 34.A N.B GLU 30.A O no hydrogen 3.330 N/A LYS 34.A NZ.A ASP 31.A OD1 no hydrogen 2.747 N/A LYS 34.A NZ.B ASP 31.A OD1 no hydrogen 2.902 N/A LEU 35.A N ASP 31.A O no hydrogen 3.216 N/A ARG 36.A N VAL 32.A O no hydrogen 2.968 N/A ARG 36.A NE ASP 71.A OD1 no hydrogen 2.876 N/A ARG 36.A NH2 ASP 71.A OD1 no hydrogen 3.479 N/A ARG 36.A NH2 ASP 71.A OD2 no hydrogen 2.858 N/A LYS 37.A N ASP 33.A O no hydrogen 3.143 N/A ILE 38.A N LEU 35.A O no hydrogen 3.153 N/A GLY 39.A N ARG 36.A O no hydrogen 3.086 N/A VAL 40.A N LEU 35.A O no hydrogen 3.080 N/A LYS 41.A N VAL 108.A O no hydrogen 2.901 N/A ILE 43.A N GLN 73.A O no hydrogen 2.795 N/A PHE 44.A N TYR 110.A O no hydrogen 2.856 N/A CYS 45.A N ILE 75.A O no hydrogen 2.802 N/A CYS 45.A SG GLN 47.A OE1 no hydrogen 3.964 N/A LEU 46.A N HIS 112.A O no hydrogen 2.923 N/A GLN 47.A NE2 THR 114.A OG1 no hydrogen 3.032 N/A GLN 48.A N ASP 51.A OD2 no hydrogen 2.917 N/A ASP 51.A N GLN 48.A O no hydrogen 2.992 N/A LEU 52.A N GLN 48.A O no hydrogen 3.377 N/A GLU 53.A N ASP 49.A O no hydrogen 2.915 N/A TYR 54.A N PRO 50.A O no hydrogen 2.909 N/A PHE 55.A N LEU 52.A O no hydrogen 3.163 N/A GLY 56.A N GLU 53.A O no hydrogen 3.357 N/A VAL 57.A N LEU 52.A O no hydrogen 2.995 N/A SER 61.A N.A ASP 58.A O no hydrogen 3.215 N/A SER 61.A N.A ASP 58.A OD1 no hydrogen 3.046 N/A SER 61.A N.B ASP 58.A O no hydrogen 3.275 N/A SER 61.A N.B ASP 58.A OD1 no hydrogen 3.091 N/A SER 61.A OG.A ASP 58.A O no hydrogen 2.733 N/A SER 61.A OG.B ASP 58.A OD2 no hydrogen 2.721 N/A ILE 62.A N ASP 58.A O no hydrogen 3.359 N/A GLN 63.A N ILE 59.A O no hydrogen 2.879 N/A ALA 64.A N SER 60.A O.A no hydrogen 2.884 N/A ALA 64.A N SER 60.A O.B no hydrogen 2.924 N/A TYR 65.A N SER 61.A O.A no hydrogen 3.026 N/A TYR 65.A N SER 61.A O.B no hydrogen 3.046 N/A TYR 65.A OH ASP 33.A OD1 no hydrogen 2.682 N/A TYR 65.A OH ASP 33.A OD2 no hydrogen 2.780 N/A ALA 66.A N ILE 62.A O no hydrogen 2.962 N/A LYS 67.A N GLN 63.A O no hydrogen 3.055 N/A LYS 68.A N TYR 65.A O no hydrogen 3.082 N/A TYR 69.A N ALA 66.A O no hydrogen 3.030 N/A TYR 69.A OH TYR 65.A OH no hydrogen 3.172 N/A GLN 73.A N LYS 41.A O no hydrogen 2.932 N/A ILE 75.A N ILE 43.A O no hydrogen 2.824 N/A ARG 76.A NH1 ASP 49.A OD1 no hydrogen 2.920 N/A ARG 76.A NH2 GLN 47.A O no hydrogen 2.959 N/A ARG 76.A NH2 ASP 49.A OD1 no hydrogen 2.853 N/A CYS 77.A N CYS 45.A O no hydrogen 2.929 N/A ILE 79.A N LEU 46.A O no hydrogen 3.004 N/A ARG 80.A N ASP 86.A OD2 no hydrogen 2.881 N/A ARG 80.A NE ASP 83.A OD2 no hydrogen 2.970 N/A ARG 80.A NH2 ASP 83.A OD2 no hydrogen 3.241 N/A PHE 82.A N ASP 81.A OD1 no hydrogen 2.900 N/A ASP 86.A N ASP 83.A OD1 no hydrogen 3.009 N/A LEU 87.A N ASP 83.A O no hydrogen 3.067 N/A ARG 88.A N ALA 84.A O no hydrogen 2.944 N/A ARG 88.A NE ASP 162.A OD2 no hydrogen 2.865 N/A ARG 88.A NH1 GLU 216.A O no hydrogen 2.904 N/A ARG 88.A NH2 ASP 162.A OD1 no hydrogen 2.883 N/A ARG 88.A NH2 GLU 216.A O no hydrogen 2.945 N/A MET 89.A N PHE 85.A O no hydrogen 2.914 N/A ARG 90.A N ASP 86.A O no hydrogen 2.871 N/A ARG 90.A NE GLU 78.A O no hydrogen 2.922 N/A ARG 90.A NH2 GLU 78.A O no hydrogen 2.809 N/A LEU 91.A N LEU 87.A O no hydrogen 2.938 N/A VAL 94.A N ARG 90.A O no hydrogen 2.964 N/A VAL 95.A N LEU 91.A O no hydrogen 2.849 N/A GLY 96.A N PRO 92.A O no hydrogen 2.973 N/A THR 97.A N ALA 93.A O no hydrogen 2.937 N/A THR 97.A OG1 ALA 93.A O no hydrogen 3.014 N/A LEU 98.A N VAL 94.A O no hydrogen 2.966 N/A TYR 99.A N VAL 95.A O no hydrogen 2.743 N/A TYR 99.A OH GLU 287.A OE2 no hydrogen 2.673 N/A LYS 100.A N GLY 96.A O no hydrogen 2.990 N/A LYS 100.A NZ GLU 287.A O no hydrogen 2.869 N/A LYS 100.A NZ CYS 289.A O no hydrogen 2.928 N/A ALA 101.A N THR 97.A O no hydrogen 2.978 N/A VAL 102.A N LEU 98.A O no hydrogen 2.920 N/A LYS 103.A N TYR 99.A O no hydrogen 3.182 N/A LYS 103.A NZ GLU 287.A OE2 no hydrogen 3.253 N/A ARG 104.A N LYS 100.A O no hydrogen 3.157 N/A ARG 104.A NE GLU 291.A OE1 no hydrogen 2.826 N/A ARG 104.A NH2 GLU 291.A OE1 no hydrogen 3.453 N/A ARG 104.A NH2 GLU 291.A OE2 no hydrogen 3.111 N/A ASN 105.A N ALA 101.A O no hydrogen 2.788 N/A ASN 105.A ND2 THR 42.A OG1 no hydrogen 2.889 N/A ASN 105.A ND2 GLN 73.A OE1 no hydrogen 2.887 N/A GLY 106.A N VAL 102.A O no hydrogen 2.899 N/A VAL 108.A N GLY 39.A O no hydrogen 3.116 N/A THR 109.A N ASP 19.A O no hydrogen 2.987 N/A TYR 110.A N THR 42.A O no hydrogen 2.902 N/A TYR 110.A OH SER 24.A O no hydrogen 2.786 N/A VAL 111.A N ILE 21.A O no hydrogen 2.842 N/A HIS 112.A N PHE 44.A O no hydrogen 2.945 N/A HIS 112.A ND1 SER 113.A O no hydrogen 2.874 N/A GLY 116.A N SER 113.A OG no hydrogen 3.266 N/A ARG 119.A NH1 ASP 51.A OD2 no hydrogen 2.796 N/A ARG 119.A NH1 ILE 79.A O no hydrogen 2.845 N/A ARG 119.A NH2 ASP 51.A OD2 no hydrogen 3.411 N/A ARG 119.A NH2 THR 114.A OG1 no hydrogen 3.153 N/A ALA 120.A N SER 113.A OG no hydrogen 3.243 N/A ALA 122.A N GLY 118.A O no hydrogen 3.037 N/A VAL 123.A N ARG 119.A O no hydrogen 2.924 N/A ALA 124.A N ALA 120.A O no hydrogen 2.897 N/A LEU 125.A N PRO 121.A O no hydrogen 2.869 N/A THR 126.A N ALA 122.A O no hydrogen 2.934 N/A THR 126.A OG1 ALA 122.A O no hydrogen 2.777 N/A TYR 127.A N VAL 123.A O no hydrogen 2.931 N/A MET 128.A N ALA 124.A O no hydrogen 2.882 N/A PHE 129.A N LEU 125.A O no hydrogen 2.949 N/A TRP 130.A N THR 126.A O no hydrogen 2.802 N/A TRP 130.A NE1 THR 160.A OG1 no hydrogen 2.939 N/A VAL 131.A N TYR 127.A O no hydrogen 2.868 N/A GLN 132.A N TYR 127.A O no hydrogen 3.197 N/A TYR 134.A N MET 128.A O no hydrogen 3.163 N/A LYS 135.A N GLU 138.A OE1 no hydrogen 2.998 N/A MET 137.A N ASP 271.A OD1 no hydrogen 2.947 N/A ALA 139.A N LYS 135.A O no hydrogen 2.926 N/A HIS 140.A N LEU 136.A O no hydrogen 2.893 N/A LYS 141.A N MET 137.A O no hydrogen 2.914 N/A LEU 142.A N GLU 138.A O no hydrogen 3.132 N/A LEU 143.A N ALA 139.A O no hydrogen 2.884 N/A MET 144.A N HIS 140.A O no hydrogen 2.926 N/A SER 145.A N LYS 141.A O no hydrogen 3.180 N/A SER 145.A OG LEU 142.A O no hydrogen 2.760 N/A LYS 146.A N LEU 143.A O no hydrogen 3.008 N/A ARG 147.A N LEU 143.A O no hydrogen 2.980 N/A ARG 147.A NE GLY 116.A O no hydrogen 2.831 N/A ARG 147.A NH1 ASN 12.A OD1 no hydrogen 2.885 N/A ARG 147.A NH1 ASN 14.A OD1 no hydrogen 2.921 N/A ARG 147.A NH2 ASN 12.A OD1 no hydrogen 2.805 N/A ARG 147.A NH2 ALA 115.A O no hydrogen 3.011 N/A ARG 147.A NH2 GLY 116.A O no hydrogen 3.515 N/A CYS 149.A SG ARG 147.A O no hydrogen 3.400 N/A PHE 150.A N MET 117.A O no hydrogen 2.733 N/A LYS 152.A NZ PHE 150.A O no hydrogen 2.872 N/A ILE 156.A N LYS 152.A O no hydrogen 3.206 N/A ARG 157.A N LEU 153.A O no hydrogen 2.889 N/A ARG 157.A NE SER 269.A O.A no hydrogen 3.231 N/A ARG 157.A NE GLU 270.A O no hydrogen 3.314 N/A ARG 157.A NH2 GLU 270.A O no hydrogen 3.118 N/A ASN 158.A N ASP 154.A O no hydrogen 3.017 N/A ASN 158.A ND2 ASP 154.A O no hydrogen 3.172 N/A ALA 159.A N ALA 155.A O no hydrogen 2.906 N/A THR 160.A N ILE 156.A O no hydrogen 3.077 N/A THR 160.A OG1 ILE 156.A O no hydrogen 2.832 N/A ILE 161.A N ARG 157.A O no hydrogen 3.047 N/A ASP 162.A N ASN 158.A O no hydrogen 2.814 N/A ILE 163.A N.A ALA 159.A O no hydrogen 3.121 N/A ILE 163.A N.B ALA 159.A O no hydrogen 3.149 N/A LEU 164.A N THR 160.A O no hydrogen 3.092 N/A THR 165.A N ILE 161.A O no hydrogen 2.836 N/A THR 165.A OG1 ILE 161.A O no hydrogen 2.864 N/A THR 165.A OG1 GLY 166.A O no hydrogen 3.194 N/A GLY 166.A N ASP 162.A O no hydrogen 2.925 N/A LYS 168.A NZ ASP 260.A OD2 no hydrogen 3.042 N/A LYS 170.A N LEU 214.A O no hydrogen 2.932 N/A LYS 170.A NZ VAL 253.A O no hydrogen 2.740 N/A THR 171.A OG1 GLU 213.A OE2 no hydrogen 2.383 N/A VAL 172.A N ARG 212.A O no hydrogen 2.768 N/A LEU 174.A N LEU 210.A O no hydrogen 2.887 N/A THR 175.A N GLU 235.A OE2 no hydrogen 3.047 N/A THR 175.A OG1 TRP 208.A O no hydrogen 2.842 N/A LEU 176.A N TRP 208.A O no hydrogen 2.967 N/A ASP 178.A N GLY 206.A O no hydrogen 2.818 N/A PHE 181.A N ASP 178.A OD1 no hydrogen 2.945 N/A SER 182.A N.A ASP 226.A OD1 no hydrogen 2.958 N/A SER 182.A N.A ASP 226.A OD2 no hydrogen 3.407 N/A SER 182.A N.B ASP 226.A OD1 no hydrogen 2.966 N/A SER 182.A N.B ASP 226.A OD2 no hydrogen 3.420 N/A SER 182.A OG.B ASP 226.A OD1 no hydrogen 3.037 N/A ARG 183.A N ASP 226.A OD1 no hydrogen 2.870 N/A GLU 185.A N ILE 224.A O no hydrogen 2.943 N/A ILE 186.A N ILE 197.A O no hydrogen 2.979 N/A SER 187.A N LYS 222.A O no hydrogen 2.957 N/A SER 187.A OG GLY 192.A O no hydrogen 3.362 N/A SER 187.A OG TRP 193.A O no hydrogen 3.283 N/A SER 187.A OG GLN 195.A O no hydrogen 2.752 N/A GLY 188.A N GLY 192.A O no hydrogen 2.971 N/A LEU 189.A N GLU 220.A O no hydrogen 2.824 N/A ILE 191.A N GLY 188.A O no hydrogen 2.898 N/A GLY 192.A N GLY 188.A O no hydrogen 3.002 N/A TRP 193.A N PHE 82.A O no hydrogen 2.853 N/A GLN 195.A N GLY 192.A O no hydrogen 3.436 N/A ILE 197.A N ILE 186.A O no hydrogen 2.915 N/A LEU 199.A N VAL 184.A O no hydrogen 2.923 N/A THR 200.A N ILE 209.A O no hydrogen 3.101 N/A ASP 202.A N PHE 207.A O no hydrogen 2.950 N/A THR 205.A N ASP 202.A O no hydrogen 3.089 N/A THR 205.A OG1 ASP 202.A O no hydrogen 3.022 N/A THR 205.A OG1 PHE 207.A O no hydrogen 3.440 N/A PHE 207.A N THR 205.A OG1 no hydrogen 3.183 N/A TRP 208.A N LEU 176.A O no hydrogen 2.859 N/A TRP 208.A NE1 ASP 178.A OD1 no hydrogen 2.891 N/A ILE 209.A N THR 200.A O no hydrogen 2.915 N/A LEU 210.A N LEU 174.A O no hydrogen 2.857 N/A LYS 211.A NZ THR 173.A OG1 no hydrogen 3.106 N/A ARG 212.A N VAL 172.A O no hydrogen 2.982 N/A ARG 212.A NE ASP 190.A OD1 no hydrogen 3.116 N/A ARG 212.A NH2 ASP 190.A OD1 no hydrogen 3.452 N/A ARG 212.A NH2 ASP 190.A OD2 no hydrogen 2.843 N/A LEU 214.A N LYS 170.A O no hydrogen 3.019 N/A GLY 217.A N VAL 252.A O no hydrogen 3.036 N/A PHE 219.A N ALA 250.A O no hydrogen 2.815 N/A TYR 221.A N ASN 248.A O no hydrogen 2.888 N/A TYR 221.A OH GLU 235.A OE1 no hydrogen 2.746 N/A LYS 222.A N SER 187.A O no hydrogen 3.090 N/A LYS 222.A NZ THR 246.A O no hydrogen 2.912 N/A TYR 223.A N THR 230.A O no hydrogen 2.997 N/A TYR 223.A OH GLU 235.A OE1 no hydrogen 2.698 N/A ILE 224.A N GLU 185.A O no hydrogen 2.761 N/A ILE 225.A N GLU 228.A O no hydrogen 2.841 N/A ASP 226.A N ARG 183.A O no hydrogen 2.874 N/A GLU 228.A N ILE 225.A O no hydrogen 3.005 N/A THR 230.A N TYR 223.A O no hydrogen 2.858 N/A THR 230.A OG1 GLU 228.A O no hydrogen 3.105 N/A ASN 232.A N ASN 248.A OD1 no hydrogen 2.874 N/A ASN 232.A ND2 GLU 235.A OE1 no hydrogen 3.198 N/A ALA 234.A N ASN 232.A OD1 no hydrogen 2.855 N/A GLU 235.A N ASN 232.A O no hydrogen 3.281 N/A ILE 238.A N ASN 247.A O no hydrogen 2.842 N/A ASN 241.A N HIS 245.A O no hydrogen 2.955 N/A GLY 244.A N ASN 241.A O no hydrogen 2.847 N/A HIS 245.A N ASN 241.A OD1 no hydrogen 2.845 N/A ASN 247.A N ILE 238.A O no hydrogen 3.035 N/A ASN 247.A ND2 GLU 220.A OE1 no hydrogen 2.896 N/A ASN 248.A ND2 ASN 232.A O no hydrogen 2.961 N/A ASN 248.A ND2 GLU 235.A O no hydrogen 3.420 N/A ASN 248.A ND2 PRO 236.A O no hydrogen 3.029 N/A TYR 249.A N PRO 236.A O no hydrogen 3.027 N/A ALA 250.A N PHE 219.A O no hydrogen 2.851 N/A VAL 252.A N GLY 217.A O no hydrogen 2.793 N/A ASP 254.A N GLU 216.A OE2 no hydrogen 3.345 N/A THR 257.A N ASP 255.A OD1 no hydrogen 3.160 N/A THR 257.A OG1 ASP 255.A OD1 no hydrogen 2.767 N/A SER 258.A N ASP 255.A O no hydrogen 3.066 N/A SER 258.A OG ASP 255.A O no hydrogen 2.982 N/A GLY 261.A N SER 258.A OG no hydrogen 2.942 N/A THR 262.A N SER 258.A O no hydrogen 2.856 N/A THR 262.A OG1 SER 258.A O no hydrogen 2.823 N/A THR 263.A N VAL 259.A O no hydrogen 3.121 N/A THR 263.A OG1 VAL 259.A O no hydrogen 3.117 N/A ARG 264.A N ASP 260.A O no hydrogen 2.897 N/A ARG 264.A NH1 ASN 158.A OD1 no hydrogen 2.791 N/A ARG 264.A NH2 ASN 158.A OD1 no hydrogen 3.120 N/A GLU 265.A N GLY 261.A O no hydrogen 3.055 N/A ARG 266.A N THR 262.A O no hydrogen 3.197 N/A ARG 266.A NH1 GLU 273.A O no hydrogen 3.046 N/A ARG 266.A NH1 GLU 278.A OE1 no hydrogen 2.908 N/A ARG 266.A NH1 GLU 278.A OE2 no hydrogen 3.469 N/A ARG 266.A NH2 GLU 278.A OE2 no hydrogen 2.736 N/A LEU 267.A N THR 263.A O no hydrogen 2.916 N/A SER 268.A N GLU 265.A O no hydrogen 3.285 N/A SER 268.A OG ARG 264.A O no hydrogen 2.656 N/A SER 269.A N.A ARG 266.A O no hydrogen 3.420 N/A SER 269.A N.B ARG 266.A O no hydrogen 3.386 N/A SER 269.A OG.A ARG 266.A O no hydrogen 3.096 N/A SER 269.A OG.B GLU 265.A O no hydrogen 3.539 N/A SER 269.A OG.B ARG 266.A O no hydrogen 2.965 N/A LEU 275.A N GLU 278.A OE1 no hydrogen 2.917 N/A ARG 279.A N LEU 275.A O no hydrogen 2.986 N/A ARG 279.A NH1 PHE 129.A O no hydrogen 2.752 N/A ARG 279.A NH2 PHE 129.A O no hydrogen 3.239 N/A ARG 279.A NH2 TYR 134.A O no hydrogen 2.780 N/A SER 280.A N GLU 276.A O no hydrogen 2.948 N/A SER 280.A OG GLU 276.A O no hydrogen 3.109 N/A LYS 281.A N GLU 277.A O no hydrogen 3.050 N/A LYS 281.A NZ LEU 164.A O no hydrogen 2.866 N/A LEU 282.A N GLU 278.A O no hydrogen 2.946 N/A ILE 283.A N ARG 279.A O no hydrogen 3.096 N/A GLN 284.A N SER 280.A O no hydrogen 2.871 N/A PHE 285.A N LYS 281.A O no hydrogen 3.102 N/A LEU 286.A N LEU 282.A O no hydrogen 2.979 N/A GLU 287.A N ILE 283.A O no hydrogen 2.943 N/A THR 288.A N PHE 285.A O no hydrogen 3.014 N/A THR 288.A OG1 PHE 285.A O no hydrogen 2.814 N/A CYS 289.A N LEU 286.A O no hydrogen 3.055 N/A CYS 289.A SG PHE 285.A O no hydrogen 3.646 N/A