Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4pyt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 5.A N MET 1.A O no hydrogen 2.947 N/A GLN 6.A N ASP 2.A O no hydrogen 3.078 N/A GLU 7.A N LYS 3.A O no hydrogen 2.853 N/A LEU 8.A N VAL 4.A O no hydrogen 3.050 N/A LYS 9.A N ILE 5.A O no hydrogen 3.076 N/A ASP 10.A N GLN 6.A O no hydrogen 2.872 N/A LEU 11.A N GLU 7.A O no hydrogen 2.937 N/A GLN 12.A N LYS 9.A O no hydrogen 3.219 N/A LEU 17.A N LEU 37.A O no hydrogen 2.836 N/A ASN 19.A N ASP 35.A O no hydrogen 2.837 N/A GLU 20.A N ALA 34.A O no hydrogen 2.849 N/A LEU 22.A N GLY 32.A O no hydrogen 2.560 N/A ALA 23.A N GLY 31.A O no hydrogen 3.008 N/A ASN 24.A N PRO 21.A O no hydrogen 2.956 N/A ASN 24.A ND2 GLU 20.A OE2 no hydrogen 3.021 N/A HIS 25.A N LEU 22.A O no hydrogen 2.810 N/A HIS 25.A NE2 GLU 20.A OE2 no hydrogen 3.099 N/A THR 26.A OG1 LEU 22.A O no hydrogen 3.267 N/A THR 26.A OG1 ILE 30.A O no hydrogen 2.953 N/A THR 27.A N GLY 66.A O no hydrogen 3.070 N/A THR 27.A OG1 GLY 66.A O no hydrogen 3.554 N/A THR 27.A OG1 CYS 222.A O no hydrogen 2.769 N/A LYS 29.A N THR 26.A O no hydrogen 3.126 N/A ILE 30.A N THR 26.A OG1 no hydrogen 3.209 N/A GLY 32.A N LEU 72.A O no hydrogen 3.092 N/A ALA 34.A N GLU 20.A O no hydrogen 2.610 N/A ASP 35.A N ILE 76.A O no hydrogen 3.143 N/A CYS 36.A N GLY 78.A O no hydrogen 3.243 N/A LEU 37.A N LEU 17.A O no hydrogen 2.823 N/A VAL 38.A N VAL 80.A O no hydrogen 2.783 N/A ILE 39.A N LYS 15.A O no hydrogen 2.976 N/A LYS 41.A N VAL 13.A O no hydrogen 2.884 N/A LYS 41.A NZ ASP 42.A OD2 no hydrogen 2.941 N/A GLN 44.A NE2 ASP 48.A OD1 no hydrogen 2.883 N/A ALA 45.A N ASP 42.A OD1 no hydrogen 2.840 N/A VAL 46.A N ASP 42.A O no hydrogen 3.257 N/A ARG 47.A N ILE 43.A O no hydrogen 3.143 N/A ARG 47.A NH1 GLN 44.A OE1 no hydrogen 2.764 N/A ASP 48.A N GLN 44.A O no hydrogen 2.817 N/A THR 49.A N ALA 45.A O no hydrogen 2.908 N/A THR 49.A OG1 ALA 45.A O no hydrogen 2.831 N/A MET 50.A N VAL 46.A O no hydrogen 2.950 N/A GLU 51.A N ARG 47.A O no hydrogen 2.998 N/A VAL 52.A N ASP 48.A O no hydrogen 3.232 N/A VAL 53.A N THR 49.A O no hydrogen 3.034 N/A LYS 54.A N MET 50.A O no hydrogen 2.876 N/A LYS 54.A NZ ASP 158.A O no hydrogen 3.223 N/A ASN 55.A N GLU 51.A O no hydrogen 2.984 N/A HIS 56.A N VAL 52.A O no hydrogen 3.054 N/A HIS 56.A ND1 VAL 52.A O no hydrogen 3.097 N/A GLY 57.A N LYS 54.A O no hydrogen 3.338 N/A TRP 60.A NE1 GLU 157.A OE1 no hydrogen 3.134 N/A ARG 61.A N VAL 79.A O no hydrogen 2.961 N/A ARG 61.A NH1 GLU 297.A OE2 no hydrogen 2.974 N/A ARG 61.A NH2 GLU 297.A OE2 no hydrogen 3.543 N/A ILE 63.A N ILE 81.A O no hydrogen 2.766 N/A ARG 65.A NH1 PRO 127.A O no hydrogen 2.729 N/A SER 67.A OG PRO 127.A O no hydrogen 3.465 N/A ASN 68.A ND2 GLU 295.A O no hydrogen 3.327 N/A LEU 70.A N GLU 297.A O no hydrogen 2.894 N/A LEU 72.A N VAL 299.A O no hydrogen 2.856 N/A GLU 74.A N GLU 301.A OE2 no hydrogen 3.022 N/A GLY 75.A N LEU 72.A O no hydrogen 2.968 N/A ILE 76.A N PRO 33.A O no hydrogen 3.068 N/A ARG 77.A NE ASP 35.A OD1 no hydrogen 3.043 N/A ARG 77.A NE ASP 35.A OD2 no hydrogen 3.418 N/A ARG 77.A NH1 GLU 74.A O no hydrogen 2.402 N/A ARG 77.A NH2 ASP 35.A OD1 no hydrogen 3.068 N/A ARG 77.A NH2 GLU 74.A O no hydrogen 3.323 N/A GLY 78.A N ASP 35.A OD2 no hydrogen 3.060 N/A VAL 79.A N GLN 59.A O no hydrogen 2.810 N/A VAL 80.A N CYS 36.A O no hydrogen 2.788 N/A ILE 81.A N ARG 61.A O no hydrogen 2.798 N/A LYS 82.A N VAL 38.A O no hydrogen 2.985 N/A LYS 82.A NZ HIS 25.A ND1 no hydrogen 3.017 N/A LEU 83.A N ILE 63.A O no hydrogen 2.886 N/A LEU 87.A N GLY 84.A O no hydrogen 2.974 N/A HIS 89.A NE2 GLU 188.A OE1 no hydrogen 2.689 N/A GLU 91.A N THR 98.A O no hydrogen 2.980 N/A ASP 93.A N GLN 96.A O no hydrogen 2.746 N/A GLN 96.A N ASP 93.A O no hydrogen 3.161 N/A GLN 96.A NE2 GLN 192.A OE1 no hydrogen 3.488 N/A VAL 97.A N LEU 191.A O no hydrogen 2.903 N/A THR 98.A N GLU 91.A O no hydrogen 2.871 N/A VAL 99.A N ALA 189.A O no hydrogen 2.909 N/A GLY 100.A N HIS 89.A O no hydrogen 2.810 N/A GLY 101.A N LEU 187.A O no hydrogen 2.764 N/A GLY 102.A N LEU 87.A O no hydrogen 2.923 N/A TYR 103.A N GLY 100.A O no hydrogen 3.270 N/A VAL 105.A N GLY 128.A O no hydrogen 2.868 N/A ARG 107.A N SER 104.A OG no hydrogen 2.976 N/A LEU 108.A N SER 104.A O no hydrogen 2.912 N/A SER 109.A N VAL 105.A O no hydrogen 2.811 N/A SER 109.A OG LEU 120.A O no hydrogen 2.485 N/A THR 110.A N VAL 106.A O no hydrogen 2.912 N/A THR 110.A OG1 VAL 106.A O no hydrogen 2.693 N/A GLY 111.A N ARG 107.A O no hydrogen 2.913 N/A ILE 112.A N LEU 108.A O no hydrogen 2.884 N/A SER 113.A N SER 109.A O no hydrogen 3.136 N/A SER 113.A OG SER 109.A O no hydrogen 2.703 N/A LYS 114.A N THR 110.A O no hydrogen 3.169 N/A LYS 115.A N ILE 112.A O no hydrogen 2.972 N/A GLY 116.A N SER 113.A O no hydrogen 3.041 N/A LEU 117.A N ILE 112.A O no hydrogen 3.310 N/A SER 118.A N GLU 194.A O no hydrogen 2.673 N/A SER 118.A OG GLU 121.A OE2 no hydrogen 2.657 N/A GLY 119.A N GLU 121.A OE1 no hydrogen 2.764 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.618 N/A ALA 123.A N LEU 120.A O no hydrogen 3.064 N/A SER 124.A N GLU 121.A O no hydrogen 3.224 N/A SER 124.A OG GLU 121.A O no hydrogen 3.225 N/A SER 124.A OG MET 205.A O no hydrogen 2.900 N/A ILE 126.A N ALA 123.A O no hydrogen 3.072 N/A GLY 128.A N ILE 126.A O no hydrogen 2.889 N/A SER 129.A OG GLY 101.A O no hydrogen 3.436 N/A VAL 130.A N TYR 103.A O no hydrogen 2.865 N/A GLY 131.A N GLY 101.A O no hydrogen 2.880 N/A GLY 132.A N SER 129.A OG no hydrogen 3.160 N/A ALA 133.A N SER 129.A O no hydrogen 2.904 N/A VAL 134.A N VAL 130.A O no hydrogen 2.868 N/A TYR 135.A N GLY 131.A O no hydrogen 2.959 N/A MET 136.A N GLY 132.A O no hydrogen 2.886 N/A ASN 137.A N VAL 134.A O no hydrogen 3.214 N/A ASN 137.A ND2 ASP 144.A OD2 no hydrogen 3.325 N/A ASN 137.A ND2 SER 172.A O no hydrogen 2.823 N/A ALA 138.A N ALA 133.A O no hydrogen 2.917 N/A ALA 140.A N SER 143.A O no hydrogen 2.967 N/A SER 143.A N ALA 140.A O no hydrogen 2.996 N/A ILE 145.A N ALA 138.A O no hydrogen 3.013 N/A SER 146.A N ASN 137.A OD1 no hydrogen 2.891 N/A SER 146.A OG ASP 144.A OD1 no hydrogen 2.473 N/A SER 146.A OG ASP 144.A OD2 no hydrogen 3.327 N/A ARG 147.A N ASP 144.A O no hydrogen 3.107 N/A ARG 147.A N ASP 144.A OD1 no hydrogen 3.193 N/A ILE 148.A N ILE 145.A O no hydrogen 3.107 N/A LEU 149.A N ILE 145.A O no hydrogen 2.920 N/A VAL 150.A N VAL 190.A O no hydrogen 2.726 N/A LYS 151.A N VAL 190.A O no hydrogen 3.458 N/A ALA 152.A N LEU 164.A O no hydrogen 2.917 N/A LEU 153.A N GLU 188.A O no hydrogen 2.839 N/A ILE 154.A N GLU 162.A O no hydrogen 2.848 N/A LEU 155.A N ILE 185.A O no hydrogen 2.788 N/A PHE 156.A N THR 160.A O no hydrogen 2.894 N/A GLY 159.A N PHE 156.A O no hydrogen 2.799 N/A THR 160.A N ASP 158.A OD1 no hydrogen 3.030 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.691 N/A GLU 162.A N ILE 154.A O no hydrogen 2.974 N/A LEU 164.A N ALA 152.A O no hydrogen 2.837 N/A THR 165.A N GLU 168.A OE1 no hydrogen 2.873 N/A ASN 166.A N VAL 150.A O no hydrogen 3.117 N/A ASN 166.A ND2 SER 146.A O no hydrogen 2.858 N/A ASN 166.A ND2 LEU 149.A O no hydrogen 2.833 N/A GLU 168.A N THR 165.A OG1 no hydrogen 3.121 N/A MET 169.A N THR 165.A O no hydrogen 2.975 N/A MET 169.A N ASN 166.A O no hydrogen 3.259 N/A GLU 170.A N GLU 167.A O no hydrogen 3.118 N/A SER 172.A N THR 175.A O no hydrogen 3.123 N/A THR 175.A N SER 172.A O no hydrogen 2.953 N/A THR 175.A OG1 TYR 173.A O no hydrogen 2.618 N/A SER 176.A OG TYR 135.A O no hydrogen 2.845 N/A ILE 177.A N MET 169.A O no hydrogen 2.847 N/A LEU 178.A N SER 176.A OG no hydrogen 3.269 N/A GLN 179.A N SER 176.A O no hydrogen 3.061 N/A GLN 179.A NE2 TYR 135.A O no hydrogen 2.825 N/A GLN 179.A NE2 ARG 174.A O no hydrogen 3.089 N/A ASN 180.A N ILE 177.A O no hydrogen 3.149 N/A LYS 181.A N ASN 180.A OD1 no hydrogen 2.637 N/A LYS 181.A NZ GLU 170.A OE1 no hydrogen 2.913 N/A ARG 182.A N ILE 177.A O no hydrogen 2.971 N/A ARG 182.A NH2 GLU 162.A OE1 no hydrogen 2.764 N/A ILE 185.A N LEU 155.A O no hydrogen 2.839 N/A CYS 186.A SG GLU 188.A O no hydrogen 3.526 N/A LEU 187.A N LEU 153.A O no hydrogen 2.870 N/A ALA 189.A N VAL 99.A O no hydrogen 2.880 N/A VAL 190.A N LYS 151.A O no hydrogen 2.914 N/A LEU 191.A N VAL 97.A O no hydrogen 2.816 N/A GLN 192.A N ILE 148.A O no hydrogen 2.758 N/A LEU 193.A N GLU 95.A O no hydrogen 2.786 N/A GLU 194.A N SER 118.A O no hydrogen 2.856 N/A GLN 195.A N GLU 95.A OE2 no hydrogen 2.736 N/A GLN 195.A NE2 LYS 196.A O no hydrogen 3.002 N/A LYS 196.A N GLY 116.A O no hydrogen 2.957 N/A ARG 198.A NE LYS 114.A O no hydrogen 2.923 N/A ARG 198.A NH1 ASP 199.A OD1 no hydrogen 3.547 N/A ILE 201.A N GLU 197.A O no hydrogen 3.405 N/A VAL 202.A N ARG 198.A O no hydrogen 2.853 N/A ALA 203.A N ASP 199.A O no hydrogen 2.904 N/A GLN 204.A N ALA 200.A O no hydrogen 3.034 N/A GLN 204.A NE2 GLN 204.A O no hydrogen 3.300 N/A GLN 204.A NE2 ASN 208.A OD1 no hydrogen 3.070 N/A MET 205.A N ILE 201.A O no hydrogen 2.994 N/A GLN 206.A N VAL 202.A O no hydrogen 2.926 N/A LYS 207.A N ALA 203.A O no hydrogen 2.772 N/A ASN 208.A N GLN 204.A O no hydrogen 2.981 N/A ASN 208.A ND2 GLU 121.A O no hydrogen 2.947 N/A LYS 209.A N MET 205.A O no hydrogen 3.196 N/A LYS 209.A NZ THR 110.A OG1 no hydrogen 2.807 N/A ASP 210.A N GLN 206.A O no hydrogen 2.885 N/A TYR 211.A N LYS 207.A O no hydrogen 2.958 N/A ARG 212.A N ASN 208.A O no hydrogen 3.357 N/A ARG 212.A NH1 GLN 216.A OE1 no hydrogen 2.853 N/A LYS 213.A N LYS 209.A O no hydrogen 3.327 N/A LYS 213.A NZ LYS 209.A O no hydrogen 2.968 N/A GLU 214.A N ASP 210.A O no hydrogen 2.972 N/A THR 215.A N TYR 211.A O no hydrogen 3.170 N/A THR 215.A OG1 TYR 211.A O no hydrogen 2.918 N/A GLN 216.A N ARG 212.A O no hydrogen 3.083 N/A CYS 222.A SG ALA 223.A O no hydrogen 3.695 N/A GLY 224.A N SER 67.A O no hydrogen 2.980 N/A ILE 226.A N ASN 260.A O no hydrogen 2.869 N/A PHE 227.A N ASN 260.A OD1 no hydrogen 2.912 N/A ARG 228.A N HIS 293.A O no hydrogen 2.879 N/A ASP 233.A N PRO 230.A O no hydrogen 2.951 N/A ALA 235.A N ASN 229.A OD1 no hydrogen 2.882 N/A LEU 238.A N HIS 234.A O no hydrogen 3.038 N/A VAL 239.A N ALA 235.A O no hydrogen 2.981 N/A GLU 240.A N GLY 236.A O no hydrogen 2.927 N/A GLN 241.A N ARG 237.A O no hydrogen 2.765 N/A ALA 242.A N LEU 238.A O no hydrogen 2.940 N/A ALA 242.A N VAL 239.A O no hydrogen 3.224 N/A GLY 243.A N GLU 240.A O no hydrogen 2.848 N/A LEU 244.A N VAL 239.A O no hydrogen 3.142 N/A GLY 246.A N VAL 254.A O no hydrogen 2.777 N/A HIS 247.A N LEU 244.A O no hydrogen 2.820 N/A ARG 248.A NH1 GLY 250.A O no hydrogen 3.267 N/A ILE 249.A N ALA 252.A O no hydrogen 2.749 N/A GLY 251.A N ASP 272.A OD2 no hydrogen 3.049 N/A ALA 252.A N ILE 249.A O no hydrogen 2.959 N/A LYS 253.A N VAL 263.A O no hydrogen 3.169 N/A LYS 253.A NZ GLU 256.A OE2 no hydrogen 2.542 N/A VAL 254.A N HIS 247.A O no hydrogen 2.906 N/A SER 255.A N PHE 261.A O no hydrogen 2.903 N/A SER 255.A OG HIS 258.A O no hydrogen 2.710 N/A HIS 258.A N SER 255.A OG no hydrogen 2.839 N/A GLY 259.A N GLU 240.A OE2 no hydrogen 2.942 N/A ASN 260.A N HIS 258.A ND1 no hydrogen 3.014 N/A ASN 260.A ND2 PHE 227.A O no hydrogen 2.946 N/A PHE 261.A N HIS 258.A O no hydrogen 3.314 N/A VAL 263.A N LYS 253.A O no hydrogen 2.772 N/A ASN 264.A N PRO 221.A O no hydrogen 2.751 N/A ASN 264.A ND2 ILE 28.A O no hydrogen 2.988 N/A ASN 264.A ND2 LYS 29.A O no hydrogen 3.553 N/A ALA 265.A N GLY 251.A O no hydrogen 2.876 N/A ALA 268.A N ASN 264.A OD1 no hydrogen 3.215 N/A THR 269.A N ASP 272.A OD2 no hydrogen 3.087 N/A ALA 270.A N ASP 73.A OD1 no hydrogen 2.837 N/A LYS 271.A N ASP 73.A OD2 no hydrogen 3.260 N/A LYS 271.A NZ ASP 275.A OD1 no hydrogen 3.228 N/A LYS 271.A NZ ASP 275.A OD2 no hydrogen 2.806 N/A ASP 272.A N THR 269.A OG1 no hydrogen 2.991 N/A VAL 273.A N THR 269.A O no hydrogen 3.298 N/A LEU 274.A N ALA 270.A O no hydrogen 2.833 N/A ASP 275.A N LYS 271.A O no hydrogen 2.787 N/A LEU 276.A N ASP 272.A O no hydrogen 2.958 N/A ILE 277.A N VAL 273.A O no hydrogen 2.832 N/A ALA 278.A N LEU 274.A O no hydrogen 2.895 N/A PHE 279.A N ASP 275.A O no hydrogen 2.851 N/A ILE 280.A N LEU 276.A O no hydrogen 2.895 N/A GLN 281.A N ILE 277.A O no hydrogen 2.983 N/A GLN 281.A NE2 MET 292.A O no hydrogen 2.909 N/A LYS 282.A N ALA 278.A O no hydrogen 2.964 N/A LYS 282.A NZ GLU 286.A OE2 no hydrogen 2.861 N/A THR 283.A N PHE 279.A O no hydrogen 3.040 N/A THR 283.A OG1 PHE 279.A O no hydrogen 2.800 N/A ILE 284.A N ILE 280.A O no hydrogen 2.936 N/A LYS 285.A N GLN 281.A O no hydrogen 2.858 N/A LYS 285.A NZ ASP 291.A OD1 no hydrogen 3.193 N/A LYS 285.A NZ ASP 291.A OD2 no hydrogen 3.130 N/A GLU 286.A N LYS 282.A O no hydrogen 2.862 N/A LYS 287.A N THR 283.A O no hydrogen 3.001 N/A TYR 288.A N ILE 284.A O no hydrogen 2.831 N/A ASP 289.A N LYS 285.A O no hydrogen 2.839 N/A GLU 295.A N ILE 226.A O no hydrogen 2.711 N/A VAL 296.A N ILE 226.A O no hydrogen 3.271 N/A GLU 297.A N ASN 68.A O no hydrogen 2.931 N/A VAL 299.A N LEU 70.A O no hydrogen 3.044 N/A GLU 301.A N GLY 75.A O no hydrogen 2.910 N/A LYS 302.A N GLY 300.A O no hydrogen 2.777 N/A LYS 302.A NZ GLU 301.A OE1 no hydrogen 3.102 N/A