Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N ASN 61.A OD1 no hydrogen 2.901 N/A ARG 3.A NH1 ASP 58.A O no hydrogen 2.375 N/A ARG 3.A NH2 ASP 58.A O no hydrogen 3.258 N/A ILE 4.A N GLU 37.A O no hydrogen 2.824 N/A GLY 5.A N VAL 62.A O no hydrogen 2.864 N/A VAL 6.A N TYR 39.A O no hydrogen 2.761 N/A ILE 7.A N ILE 64.A O no hydrogen 2.900 N/A LEU 8.A N VAL 41.A O no hydrogen 3.463 N/A SER 13.A N ALA 10.A O no hydrogen 3.192 N/A LEU 15.A N SER 13.A OG no hydrogen 3.009 N/A GLY 16.A N SER 13.A O no hydrogen 2.978 N/A GLU 17.A N.A GLU 17.A OE1.A no hydrogen 2.863 N/A ALA 19.A N LEU 15.A O no hydrogen 2.888 N/A ALA 20.A N GLY 16.A O no hydrogen 3.004 N/A VAL 21.A N GLU 17.A O.A no hydrogen 3.339 N/A VAL 21.A N GLU 17.A O.B no hydrogen 3.262 N/A VAL 22.A N ALA 18.A O no hydrogen 2.952 N/A ARG 23.A N ALA 19.A O no hydrogen 2.812 N/A ARG 23.A NH1 VAL 6.A O no hydrogen 3.116 N/A ARG 23.A NH2 VAL 6.A O no hydrogen 3.493 N/A ARG 23.A NH2 LEU 8.A O no hydrogen 3.366 N/A ARG 23.A NH2 VAL 41.A O no hydrogen 2.775 N/A SER 24.A N.A ALA 20.A O no hydrogen 3.011 N/A SER 24.A N.B ALA 20.A O no hydrogen 3.016 N/A SER 24.A N.B VAL 21.A O no hydrogen 3.069 N/A SER 24.A OG.A VAL 21.A O no hydrogen 2.685 N/A SER 24.A OG.B ALA 20.A O no hydrogen 3.188 N/A GLY 25.A N VAL 21.A O no hydrogen 3.133 N/A VAL 26.A N VAL 22.A O no hydrogen 2.971 N/A GLU 27.A N.A ARG 23.A O no hydrogen 2.874 N/A GLU 27.A N.B ARG 23.A O no hydrogen 2.888 N/A ALA 28.A N SER 24.A O.A no hydrogen 2.978 N/A ALA 28.A N SER 24.A O.B no hydrogen 2.884 N/A ALA 29.A N GLY 25.A O no hydrogen 3.035 N/A ALA 30.A N VAL 26.A O no hydrogen 2.929 N/A GLN 31.A N GLU 27.A O.A no hydrogen 2.904 N/A GLN 31.A N GLU 27.A O.B no hydrogen 3.007 N/A VAL 32.A N ALA 28.A O no hydrogen 3.259 N/A ASP 33.A N ALA 29.A O no hydrogen 2.805 N/A GLN 34.A N ALA 30.A O no hydrogen 2.900 N/A GLN 34.A NE2 VAL 32.A O no hydrogen 3.199 N/A SER 35.A N TYR 252.A OH no hydrogen 3.207 N/A SER 35.A OG TYR 252.A OH no hydrogen 2.716 N/A GLU 37.A N VAL 2.A O no hydrogen 2.810 N/A TYR 39.A N ILE 4.A O no hydrogen 2.840 N/A VAL 41.A N VAL 6.A O no hydrogen 3.130 N/A ALA 43.A N LEU 8.A O no hydrogen 3.002 N/A THR 44.A N ASN 47.A OD1 no hydrogen 3.001 N/A THR 44.A OG1 SER 71.A OG no hydrogen 3.041 N/A GLY 45.A N SER 71.A OG no hydrogen 2.680 N/A ASN 47.A N THR 44.A O no hydrogen 3.361 N/A VAL 48.A N GLY 45.A O no hydrogen 3.058 N/A ARG 51.A N ASN 47.A O no hydrogen 2.950 N/A ARG 51.A NH1 ASP 42.A O no hydrogen 2.756 N/A TYR 52.A N VAL 48.A O no hydrogen 2.871 N/A TYR 52.A OH THR 83.A OG1 no hydrogen 2.776 N/A ARG 53.A N VAL 49.A O no hydrogen 2.801 N/A ALA 54.A N GLU 50.A O no hydrogen 2.971 N/A ALA 55.A N ARG 51.A O no hydrogen 3.010 N/A VAL 56.A N TYR 52.A O no hydrogen 3.020 N/A ALA 57.A N ARG 53.A O no hydrogen 2.908 N/A ASP 58.A N ALA 54.A O no hydrogen 2.920 N/A GLY 59.A N VAL 56.A O no hydrogen 2.969 N/A VAL 60.A N ALA 55.A O no hydrogen 3.210 N/A ASN 61.A N ARG 3.A O no hydrogen 2.960 N/A ASN 61.A ND2 LYS 1.A O no hydrogen 3.245 N/A VAL 63.A N PRO 82.A O no hydrogen 3.005 N/A ILE 64.A N GLY 5.A O no hydrogen 2.839 N/A GLY 65.A N LEU 84.A O no hydrogen 2.821 N/A SER 68.A OG SER 71.A OG no hydrogen 2.621 N/A SER 71.A N SER 68.A OG no hydrogen 3.054 N/A SER 71.A OG THR 44.A OG1 no hydrogen 3.041 N/A SER 71.A OG SER 68.A OG no hydrogen 2.621 N/A ILE 72.A N SER 68.A O no hydrogen 3.200 N/A VAL 73.A N ARG 69.A O no hydrogen 3.319 N/A LYS 74.A N ASP 70.A O no hydrogen 3.230 N/A LEU 75.A N SER 71.A O no hydrogen 3.062 N/A LEU 75.A N ILE 72.A O no hydrogen 3.287 N/A ALA 76.A N ILE 72.A O no hydrogen 3.014 N/A SER 78.A N LEU 75.A O no hydrogen 2.790 N/A VAL 79.A N ALA 76.A O no hydrogen 3.108 N/A THR 80.A N TYR 52.A OH no hydrogen 3.226 N/A VAL 81.A N TYR 52.A OH no hydrogen 3.375 N/A THR 83.A N LYS 98.A O no hydrogen 2.821 N/A THR 83.A OG1 TYR 52.A OH no hydrogen 2.776 N/A THR 83.A OG1 VAL 81.A O no hydrogen 2.602 N/A LEU 84.A N VAL 63.A O no hydrogen 2.787 N/A ALA 85.A N TYR 100.A O no hydrogen 2.891 N/A LEU 86.A N PRO 66.A O no hydrogen 2.904 N/A ALA 93.A N GLY 90.A O no hydrogen 3.293 N/A ASN 96.A ND2 ALA 76.A O no hydrogen 2.731 N/A ASN 96.A ND2 VAL 79.A O no hydrogen 3.068 N/A LYS 98.A N ASN 96.A OD1 no hydrogen 3.122 N/A LEU 99.A N ASN 96.A O no hydrogen 3.067 N/A TYR 100.A N THR 83.A O no hydrogen 2.794 N/A SER 101.A N ARG 282.A O no hydrogen 2.924 N/A SER 101.A OG ASN 87.A O no hydrogen 2.755 N/A LEU 102.A N ALA 85.A O no hydrogen 2.931 N/A GLU 107.A N GLU 107.A OE1 no hydrogen 2.893 N/A GLY 108.A N ILE 105.A O no hydrogen 3.169 N/A GLU 109.A N VAL 106.A O no hydrogen 2.932 N/A ALA 110.A N VAL 106.A O no hydrogen 3.158 N/A ARG 111.A N GLU 107.A O no hydrogen 2.918 N/A GLN 112.A N GLY 108.A O no hydrogen 3.172 N/A GLN 112.A NE2 GLY 108.A O no hydrogen 3.418 N/A GLN 112.A NE2 ARG 286.A O no hydrogen 2.326 N/A LEU 113.A N GLU 109.A O no hydrogen 2.840 N/A ALA 114.A N ALA 110.A O no hydrogen 3.173 N/A ARG 115.A N ARG 111.A O no hydrogen 3.112 N/A ARG 115.A NH1 GLU 144.A OE2 no hydrogen 2.926 N/A LEU 116.A N GLN 112.A O no hydrogen 2.757 N/A ASP 118.A N ARG 115.A O no hydrogen 2.954 N/A ASP 119.A N LEU 116.A O no hydrogen 2.912 N/A SER 120.A N ARG 117.A O.A no hydrogen 2.914 N/A SER 120.A N ARG 117.A O.B no hydrogen 2.993 N/A ARG 121.A NE TYR 197.A OH no hydrogen 2.910 N/A ARG 121.A NH2 TYR 197.A OH no hydrogen 3.016 N/A ALA 122.A N ASP 172.A OD2 no hydrogen 2.689 N/A ALA 123.A N ASP 172.A OD1 no hydrogen 2.912 N/A LEU 125.A N ALA 173.A O no hydrogen 2.885 N/A LEU 126.A N ARG 154.A O.A no hydrogen 2.844 N/A LEU 126.A N ARG 154.A O.B no hydrogen 2.854 N/A VAL 127.A N ALA 175.A O no hydrogen 2.833 N/A GLY 129.A N ALA 177.A O no hydrogen 2.827 N/A SER 134.A N ASP 131.A OD2 no hydrogen 2.937 N/A SER 134.A OG ASP 131.A OD1 no hydrogen 2.723 N/A SER 134.A OG ASP 131.A OD2 no hydrogen 2.996 N/A GLN 135.A N ASP 131.A O no hydrogen 3.047 N/A ARG 136.A N ALA 132.A O no hydrogen 3.012 N/A ARG 136.A NE GLU 107.A OE2 no hydrogen 2.795 N/A ARG 136.A NH2 GLU 107.A OE1 no hydrogen 2.703 N/A ARG 136.A NH2 GLU 107.A OE2 no hydrogen 3.238 N/A LEU 137.A N LEU 133.A O no hydrogen 2.938 N/A GLY 138.A N SER 134.A O no hydrogen 2.915 N/A LYS 139.A N GLN 135.A O no hydrogen 3.156 N/A LYS 139.A NZ ASP 143.A OD1 no hydrogen 3.113 N/A LYS 139.A NZ ASP 143.A OD2 no hydrogen 3.205 N/A ALA 140.A N ARG 136.A O no hydrogen 3.117 N/A PHE 141.A N LEU 137.A O no hydrogen 2.824 N/A ALA 142.A N GLY 138.A O no hydrogen 2.922 N/A ASP 143.A N LYS 139.A O no hydrogen 2.816 N/A GLU 144.A N ALA 140.A O no hydrogen 3.161 N/A TRP 145.A N PHE 141.A O no hydrogen 2.862 N/A ARG 146.A N ALA 142.A O no hydrogen 3.012 N/A ALA 147.A N ASP 143.A O no hydrogen 3.033 N/A ALA 148.A N GLU 144.A O no hydrogen 3.017 N/A ALA 149.A N TRP 145.A O no hydrogen 2.778 N/A GLY 150.A N ARG 146.A O no hydrogen 2.685 N/A ARG 154.A NH1.B GLN 170.A OE1 no hydrogen 2.621 N/A PHE 157.A N VAL 128.A O no hydrogen 2.892 N/A ASN 160.A N ASP 158.A OD1 no hydrogen 3.151 N/A ASP 161.A N ASP 158.A O no hydrogen 3.440 N/A GLN 166.A N ALA 162.A O no hydrogen 2.940 N/A ALA 167.A N PRO 163.A O no hydrogen 2.986 N/A ALA 168.A N LEU 164.A O no hydrogen 2.769 N/A GLY 169.A N LEU 165.A O no hydrogen 3.092 N/A GLN 170.A N ALA 167.A O no hydrogen 3.140 N/A ALA 171.A N ALA 168.A O no hydrogen 3.174 N/A ASP 172.A N ALA 123.A O no hydrogen 3.159 N/A VAL 174.A N PRO 195.A O no hydrogen 2.804 N/A ALA 175.A N LEU 125.A O no hydrogen 2.838 N/A LEU 176.A N TYR 197.A O no hydrogen 2.829 N/A ALA 177.A N VAL 127.A O no hydrogen 2.867 N/A LEU 178.A N GLN 201.A OE1 no hydrogen 3.101 N/A GLN 182.A N ASP 179.A OD2 no hydrogen 2.993 N/A ALA 183.A N ASP 179.A O no hydrogen 2.780 N/A ALA 184.A N VAL 180.A O no hydrogen 2.990 N/A ARG 185.A N ALA 181.A O no hydrogen 3.161 N/A ARG 185.A NH1 ALA 159.A O no hydrogen 2.353 N/A LEU 186.A N GLN 182.A O no hydrogen 2.866 N/A LYS 187.A N ALA 183.A O no hydrogen 2.844 N/A SER 188.A N ALA 184.A O no hydrogen 3.177 N/A SER 188.A OG ALA 184.A O no hydrogen 3.220 N/A ALA 189.A N ARG 185.A O no hydrogen 3.287 N/A ALA 189.A N LEU 186.A O no hydrogen 2.879 N/A LEU 190.A N LEU 186.A O no hydrogen 2.942 N/A VAL 194.A N THR 191.A O no hydrogen 3.394 N/A TYR 197.A N VAL 174.A O no hydrogen 2.842 N/A TYR 197.A OH ASP 119.A OD2 no hydrogen 2.566 N/A GLY 198.A N ARG 214.A O no hydrogen 2.868 N/A SER 200.A N GLU 109.A OE1 no hydrogen 3.112 N/A SER 200.A OG GLU 109.A OE1 no hydrogen 2.717 N/A SER 200.A OG GLU 109.A OE2 no hydrogen 3.148 N/A GLN 201.A N THR 199.A OG1 no hydrogen 3.348 N/A GLN 201.A NE2 SER 134.A OG no hydrogen 3.073 N/A LEU 202.A N THR 199.A O no hydrogen 3.097 N/A ASN 203.A N SER 200.A O no hydrogen 3.053 N/A ASN 203.A ND2 ASP 217.A OD2 no hydrogen 2.852 N/A LEU 210.A N GLN 207.A O no hydrogen 3.072 N/A ALA 211.A N PRO 208.A O no hydrogen 3.429 N/A VAL 213.A N LEU 210.A O no hydrogen 3.049 N/A ARG 214.A N VAL 196.A O no hydrogen 2.808 N/A PHE 215.A N GLY 291.A O no hydrogen 2.900 N/A ASP 217.A N PRO 289.A O no hydrogen 3.321 N/A TRP 219.A N VAL 272.A O no hydrogen 2.950 N/A TRP 219.A NE1 GLU 242.A OE2 no hydrogen 2.793 N/A ALA 226.A N HIS 224.A ND1 no hydrogen 3.092 N/A VAL 227.A N HIS 224.A ND1 no hydrogen 3.401 N/A GLN 228.A N HIS 224.A O no hydrogen 3.037 N/A ARG 229.A N.A ALA 226.A O no hydrogen 3.296 N/A ARG 229.A N.B ALA 226.A O no hydrogen 3.242 N/A ARG 229.A NE.A ASP 33.A OD1 no hydrogen 3.372 N/A ARG 229.A NE.A TYR 230.A OH no hydrogen 2.955 N/A ARG 229.A NH2.A TYR 230.A OH no hydrogen 2.921 N/A ARG 229.A NH2.B TYR 230.A OH no hydrogen 3.098 N/A TYR 230.A OH ASP 33.A OD1 no hydrogen 3.012 N/A TYR 230.A OH ASP 33.A OD2 no hydrogen 2.892 N/A ARG 232.A NH1 TRP 219.A O no hydrogen 3.055 N/A ARG 232.A NH2 TRP 219.A O no hydrogen 2.967 N/A ARG 239.A NE ASN 203.A OD1 no hydrogen 3.486 N/A THR 241.A N THR 238.A OG1 no hydrogen 3.125 N/A THR 241.A OG1 THR 238.A OG1 no hydrogen 2.744 N/A GLU 242.A N THR 238.A O no hydrogen 2.930 N/A ARG 243.A N ARG 239.A O no hydrogen 2.898 N/A ARG 243.A NE ASP 217.A OD1 no hydrogen 3.074 N/A ARG 243.A NH1 GLN 240.A OE1.B no hydrogen 3.305 N/A ARG 243.A NH2 ASN 203.A O no hydrogen 2.884 N/A ARG 243.A NH2 ASP 217.A OD2 no hydrogen 2.768 N/A LEU 244.A N THR 241.A O no hydrogen 2.765 N/A TYR 245.A N THR 241.A O no hydrogen 3.207 N/A TYR 245.A OH PRO 231.A O no hydrogen 2.656 N/A ALA 246.A N GLU 242.A O no hydrogen 3.035 N/A LEU 247.A N ARG 243.A O no hydrogen 2.886 N/A GLY 248.A N LEU 244.A O no hydrogen 3.017 N/A ILE 249.A N TYR 245.A O no hydrogen 3.053 N/A ASP 250.A N ALA 246.A O no hydrogen 3.066 N/A ALA 251.A N LEU 247.A O no hydrogen 2.869 N/A TYR 252.A N GLY 248.A O no hydrogen 3.034 N/A TYR 252.A OH SER 35.A OG no hydrogen 2.716 N/A ARG 253.A N ILE 249.A O no hydrogen 3.094 N/A ARG 253.A NH1 ASP 250.A OD1 no hydrogen 3.066 N/A ARG 253.A NH1 ASP 270.A O no hydrogen 2.875 N/A ARG 253.A NH2 ASP 270.A O no hydrogen 3.144 N/A ARG 253.A NH2 ASP 270.A OD1 no hydrogen 2.872 N/A LEU 254.A N ASP 250.A O no hydrogen 2.799 N/A ALA 255.A N ALA 251.A O no hydrogen 2.853 N/A VAL 256.A N TYR 252.A O no hydrogen 3.047 N/A GLN 257.A N ARG 253.A O no hydrogen 3.315 N/A LEU 258.A N LEU 254.A O no hydrogen 2.772 N/A ALA 259.A N ALA 255.A O no hydrogen 2.994 N/A GLY 260.A N GLN 257.A O no hydrogen 3.041 N/A SER 261.A OG GLN 257.A O no hydrogen 3.077 N/A GLY 264.A N TYR 100.A OH no hydrogen 2.722 N/A ALA 265.A N SER 263.A OG no hydrogen 2.989 N/A VAL 267.A N GLY 264.A O no hydrogen 2.857 N/A LEU 269.A N LEU 276.A O no hydrogen 3.048 N/A VAL 272.A N ASP 250.A OD1 no hydrogen 2.844 N/A THR 273.A N ASP 250.A OD2 no hydrogen 2.800 N/A THR 273.A OG1 ASP 250.A OD2 no hydrogen 2.769 N/A GLY 274.A N GLY 271.A O no hydrogen 3.164 N/A ASP 275.A N GLN 287.A O no hydrogen 2.913 N/A LEU 276.A N LEU 269.A O no hydrogen 2.816 N/A LYS 277.A N GLU 285.A O no hydrogen 3.317 N/A GLY 279.A N ALA 283.A O no hydrogen 2.796 N/A ARG 282.A NE LEU 99.A O no hydrogen 2.814 N/A ALA 283.A N ARG 280.A O no hydrogen 3.125 N/A PHE 284.A N SER 101.A O no hydrogen 2.831 N/A GLU 285.A N LYS 277.A O no hydrogen 2.802 N/A ARG 286.A NH1 THR 273.A O no hydrogen 2.982 N/A ARG 286.A NH2 GLU 109.A OE2 no hydrogen 2.861 N/A GLN 287.A N ASP 275.A O no hydrogen 2.848 N/A LEU 288.A N GLN 112.A OE1 no hydrogen 2.747 N/A GLY 291.A N PHE 215.A O no hydrogen 2.730 N/A