Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pnn_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N PRO 111.A O no hydrogen 3.142 N/A THR 4.A OG1 GLU 110.A OE2 no hydrogen 2.532 N/A LEU 5.A N ARG 45.A O no hydrogen 2.892 N/A PHE 6.A N ALA 113.A O no hydrogen 2.807 N/A VAL 7.A N VAL 47.A O no hydrogen 2.738 N/A LEU 8.A N ILE 115.A O no hydrogen 2.905 N/A ALA 9.A N VAL 49.A O no hydrogen 3.032 N/A SER 13.A N SER 17.A O no hydrogen 2.772 N/A SER 13.A OG SER 17.A O no hydrogen 3.316 N/A SER 13.A OG SER 17.A OG no hydrogen 2.760 N/A TYR 15.A N SER 13.A OG no hydrogen 3.242 N/A SER 17.A OG SER 13.A OG no hydrogen 2.760 N/A LEU 18.A N GLU 57.A OE1 no hydrogen 2.878 N/A LYS 19.A NZ GLY 11.A O no hydrogen 3.013 N/A GLY 25.A N ASP 29.A O no hydrogen 2.935 N/A GLY 28.A N GLY 25.A O no hydrogen 2.938 N/A THR 30.A N ASP 32.A OD2 no hydrogen 2.939 N/A TYR 33.A N THR 30.A O no hydrogen 3.285 N/A SER 34.A N ILE 31.A O no hydrogen 3.178 N/A TYR 36.A N ASP 32.A O no hydrogen 2.890 N/A ASP 37.A N TYR 33.A O no hydrogen 2.961 N/A ALA 38.A N SER 34.A O no hydrogen 2.812 N/A ILE 39.A N VAL 35.A O no hydrogen 2.942 N/A ARG 40.A N TYR 36.A O no hydrogen 3.041 N/A ARG 40.A NE ASP 37.A OD1 no hydrogen 3.210 N/A ARG 40.A NH1 GLU 287.A O no hydrogen 2.963 N/A ARG 40.A NH2 ASP 37.A OD1 no hydrogen 2.774 N/A ARG 40.A NH2 GLU 287.A O no hydrogen 2.920 N/A ALA 41.A N ASP 37.A O no hydrogen 2.823 N/A GLY 42.A N ILE 39.A O no hydrogen 3.056 N/A PHE 43.A N ALA 38.A O no hydrogen 3.039 N/A GLY 44.A N PRO 3.A O no hydrogen 2.740 N/A ARG 45.A NH1 LYS 2.A O no hydrogen 2.868 N/A ARG 45.A NH1 THR 4.A OG1 no hydrogen 2.865 N/A LEU 46.A N PRO 71.A O no hydrogen 2.862 N/A VAL 47.A N LEU 5.A O no hydrogen 2.838 N/A PHE 48.A N GLU 73.A O no hydrogen 2.894 N/A VAL 49.A N VAL 7.A O no hydrogen 3.147 N/A ILE 50.A N VAL 75.A O no hydrogen 2.933 N/A ARG 51.A NE GLN 77.A OE1 no hydrogen 3.106 N/A ARG 51.A NH2 GLN 77.A OE1 no hydrogen 2.984 N/A HIS 52.A N GLU 78.A OE2 no hydrogen 2.971 N/A HIS 52.A ND1 GLU 55.A OE1 no hydrogen 3.192 N/A PHE 54.A N ARG 51.A O no hydrogen 3.259 N/A GLU 55.A N HIS 52.A O no hydrogen 3.111 N/A PHE 58.A N PHE 54.A O no hydrogen 2.981 N/A ARG 59.A N GLU 55.A O no hydrogen 2.881 N/A ARG 59.A NE GLU 55.A OE2 no hydrogen 2.899 N/A ARG 59.A NH2 GLU 55.A OE2 no hydrogen 2.999 N/A GLU 60.A N LYS 56.A O no hydrogen 3.017 N/A LYS 61.A N GLU 57.A O no hydrogen 2.794 N/A ILE 62.A N PHE 58.A O no hydrogen 2.910 N/A LEU 63.A N PHE 58.A O no hydrogen 3.057 N/A THR 64.A OG1 GLU 60.A O no hydrogen 2.813 N/A LYS 65.A N ILE 62.A O no hydrogen 2.942 N/A LYS 65.A NZ ASP 32.A OD1 no hydrogen 2.915 N/A LYS 65.A NZ ASP 32.A OD2 no hydrogen 3.146 N/A TYR 66.A N LEU 63.A O no hydrogen 3.119 N/A TYR 66.A OH ASP 32.A OD1 no hydrogen 2.564 N/A GLU 67.A N LEU 63.A O no hydrogen 2.952 N/A ARG 69.A N TYR 66.A O no hydrogen 2.845 N/A ARG 69.A NH2 LEU 292.A O no hydrogen 3.494 N/A ILE 70.A N TYR 66.A O no hydrogen 3.342 N/A GLU 73.A N LEU 46.A O no hydrogen 2.952 N/A VAL 75.A N PHE 48.A O no hydrogen 2.879 N/A GLN 77.A N ILE 50.A O no hydrogen 2.820 N/A GLN 77.A NE2 GLY 97.A O no hydrogen 3.381 N/A GLN 77.A NE2 HIS 100.A ND1 no hydrogen 3.178 N/A ARG 81.A N GLU 78.A O no hydrogen 3.182 N/A ARG 81.A NE.B ASP 80.A OD1 no hydrogen 3.276 N/A ARG 81.A NH1.B ASP 80.A OD1 no hydrogen 3.099 N/A LEU 82.A N ASP 80.A O no hydrogen 2.998 N/A PHE 86.A N PRO 83.A O no hydrogen 3.021 N/A CYS 88.A SG LEU 79.A O no hydrogen 3.891 N/A CYS 88.A SG PRO 89.A O no hydrogen 3.801 N/A ARG 92.A N PRO 89.A O no hydrogen 3.370 N/A ARG 92.A NE LYS 94.A O no hydrogen 2.712 N/A ARG 92.A NH1 GLU 232.A O no hydrogen 2.967 N/A ARG 92.A NH1 SER 235.A O no hydrogen 3.210 N/A ARG 92.A NH1 SER 235.A OG no hydrogen 3.179 N/A ARG 92.A NH2 LYS 94.A O no hydrogen 2.983 N/A ARG 92.A NH2 PRO 95.A O no hydrogen 3.256 N/A ARG 92.A NH2 SER 235.A O no hydrogen 2.720 N/A TRP 96.A NE1 LEU 79.A O no hydrogen 2.913 N/A ASN 99.A N PHE 237.A O no hydrogen 2.919 N/A ASN 99.A ND2 TYR 214.A OH no hydrogen 2.531 N/A HIS 100.A NE2 ARG 81.A O no hydrogen 2.932 N/A ALA 101.A N GLY 97.A O no hydrogen 3.055 N/A VAL 102.A N THR 98.A O no hydrogen 3.006 N/A LEU 103.A N ASN 99.A O no hydrogen 3.130 N/A ARG 105.A N LEU 103.A O no hydrogen 3.192 N/A ARG 105.A NH1 GLU 219.A OE1 no hydrogen 2.658 N/A ALA 107.A N GLY 104.A O no hydrogen 3.186 N/A ILE 108.A N GLY 104.A O no hydrogen 2.996 N/A ARG 109.A N GLU 110.A OE2 no hydrogen 3.348 N/A ARG 109.A NH1 ILE 108.A O no hydrogen 3.038 N/A PHE 112.A N PHE 210.A O no hydrogen 2.907 N/A ALA 113.A N THR 4.A O no hydrogen 2.859 N/A VAL 114.A N TRP 208.A O no hydrogen 2.891 N/A ILE 115.A N PHE 6.A O no hydrogen 3.121 N/A ASN 116.A N TYR 121.A OH no hydrogen 3.036 N/A ASN 116.A ND2 ASP 119.A OD2 no hydrogen 3.039 N/A PHE 120.A N PHE 264.A O no hydrogen 2.896 N/A ASN 124.A ND2 THR 259.A OG1 no hydrogen 2.780 N/A GLY 125.A N GLY 122.A O no hydrogen 3.074 N/A GLU 127.A N ARG 123.A O no hydrogen 3.048 N/A VAL 128.A N ASN 124.A O no hydrogen 2.933 N/A LEU 129.A N GLY 125.A O no hydrogen 3.163 N/A ALA 130.A N PHE 126.A O no hydrogen 2.911 N/A ARG 131.A N GLU 127.A O no hydrogen 3.128 N/A LYS 132.A N VAL 128.A O no hydrogen 3.068 N/A LYS 132.A NZ GLU 255.A OE1 no hydrogen 2.663 N/A LEU 133.A N LEU 129.A O no hydrogen 2.896 N/A THR 134.A OG1 LYS 132.A O no hydrogen 2.676 N/A LEU 135.A N LEU 133.A O no hydrogen 2.972 N/A LYS 138.A N LEU 135.A O no hydrogen 2.944 N/A GLY 140.A N ASP 213.A OD1 no hydrogen 2.874 N/A TYR 142.A N SER 253.A O no hydrogen 2.888 N/A TYR 142.A OH ASP 213.A OD1 no hydrogen 2.615 N/A CYS 143.A N GLY 209.A O no hydrogen 2.989 N/A CYS 143.A SG GLY 209.A O no hydrogen 4.021 N/A GLY 145.A N LEU 257.A O no hydrogen 2.915 N/A TYR 146.A N VAL 205.A O no hydrogen 3.136 N/A TYR 146.A OH TYR 121.A O no hydrogen 2.719 N/A ARG 147.A NE ASP 258.A OD1 no hydrogen 3.083 N/A ARG 147.A NH2 ASP 258.A OD1 no hydrogen 3.455 N/A ARG 147.A NH2 ASP 258.A OD2 no hydrogen 2.781 N/A VAL 148.A N ALA 203.A O no hydrogen 2.863 N/A GLY 149.A N GLU 201.A O no hydrogen 2.940 N/A ASN 150.A N ARG 147.A O no hydrogen 2.930 N/A THR 151.A N VAL 148.A O no hydrogen 2.855 N/A THR 151.A OG1 VAL 148.A O no hydrogen 2.858 N/A SER 153.A OG ASP 271.A OD1 no hydrogen 2.862 N/A SER 153.A OG ASP 271.A OD2 no hydrogen 3.169 N/A SER 155.A N SER 153.A OG no hydrogen 2.937 N/A VAL 158.A N ILE 180.A O no hydrogen 3.030 N/A SER 159.A OG GLU 176.A OE2 no hydrogen 2.639 N/A SER 159.A OG ARG 177.A O no hydrogen 3.432 N/A ARG 160.A N ARG 177.A O no hydrogen 2.895 N/A ARG 160.A NE THR 151.A OG1 no hydrogen 3.051 N/A ARG 160.A NH1 SER 159.A O no hydrogen 2.851 N/A ARG 160.A NH2 THR 151.A O no hydrogen 2.770 N/A VAL 162.A N VAL 175.A O no hydrogen 3.051 N/A CYS 163.A N PRO 204.A O no hydrogen 3.227 N/A CYS 163.A SG GLY 161.A O no hydrogen 3.597 N/A GLN 164.A N GLY 173.A O no hydrogen 2.830 N/A ASP 166.A N LEU 170.A O no hydrogen 2.943 N/A LYS 168.A N ASP 166.A OD1 no hydrogen 2.860 N/A HIS 169.A N ASP 166.A O no hydrogen 2.904 N/A LEU 170.A N ASP 166.A OD1 no hydrogen 3.013 N/A LEU 171.A N VAL 254.A O no hydrogen 2.918 N/A THR 172.A N GLN 164.A O no hydrogen 2.808 N/A THR 172.A OG1 GLN 164.A O no hydrogen 3.289 N/A VAL 174.A N ASN 244.A OD1 no hydrogen 3.065 N/A VAL 175.A N VAL 162.A O no hydrogen 3.172 N/A ARG 177.A N ARG 160.A O no hydrogen 2.894 N/A ARG 177.A NH1 GLU 192.A OE2 no hydrogen 2.934 N/A ILE 180.A N VAL 158.A O no hydrogen 2.905 N/A GLU 181.A N SER 188.A O no hydrogen 3.209 N/A ARG 182.A NE GLU 201.A OE2 no hydrogen 2.927 N/A ARG 182.A NH1 GLY 149.A O no hydrogen 3.080 N/A ARG 182.A NH1 GLU 201.A OE1 no hydrogen 2.771 N/A ARG 182.A NH1 GLU 201.A OE2 no hydrogen 3.421 N/A THR 183.A N THR 186.A O no hydrogen 3.050 N/A THR 183.A OG1 THR 186.A O no hydrogen 3.544 N/A THR 186.A N THR 183.A O no hydrogen 3.487 N/A SER 188.A N GLU 181.A O no hydrogen 3.033 N/A PHE 189.A N CYS 197.A O no hydrogen 2.941 N/A ARG 190.A NH2 GLY 194.A O no hydrogen 2.831 N/A ASP 191.A N LYS 195.A O no hydrogen 2.833 N/A THR 193.A N ASP 191.A OD1 no hydrogen 2.940 N/A THR 193.A OG1 ASP 191.A OD1 no hydrogen 2.912 N/A GLY 194.A N ASP 191.A O no hydrogen 2.852 N/A LYS 195.A N ASP 191.A OD1 no hydrogen 3.045 N/A CYS 197.A N PHE 189.A O no hydrogen 2.722 N/A CYS 197.A SG LYS 195.A O no hydrogen 3.828 N/A LEU 199.A N ILE 187.A O no hydrogen 2.861 N/A ALA 203.A N ALA 200.A O no hydrogen 3.125 N/A VAL 205.A N TYR 146.A O no hydrogen 2.847 N/A SER 206.A N GLY 161.A O no hydrogen 2.833 N/A ASN 207.A ND2 ASN 116.A OD1 no hydrogen 3.095 N/A TRP 208.A NE1 ASN 207.A OD1 no hydrogen 2.946 N/A GLY 209.A N CYS 143.A O no hydrogen 2.884 N/A PHE 210.A N PHE 112.A O no hydrogen 2.781 N/A THR 211.A OG1 LYS 138.A O no hydrogen 3.415 N/A THR 211.A OG1 ASP 213.A OD1 no hydrogen 3.473 N/A THR 211.A OG1 ASP 213.A OD2 no hydrogen 2.544 N/A TYR 214.A N THR 211.A O no hydrogen 2.897 N/A PHE 215.A N PRO 212.A O no hydrogen 2.930 N/A TYR 217.A N ASP 213.A O no hydrogen 3.086 N/A SER 218.A N TYR 214.A O no hydrogen 2.919 N/A SER 218.A OG ASN 99.A OD1 no hydrogen 2.949 N/A SER 218.A OG TYR 214.A O no hydrogen 2.905 N/A GLU 219.A N PHE 215.A O no hydrogen 2.899 N/A GLU 220.A N ASP 216.A O no hydrogen 3.070 N/A LEU 221.A N TYR 217.A O no hydrogen 3.061 N/A PHE 222.A N SER 218.A O no hydrogen 2.789 N/A ILE 223.A N GLU 219.A O no hydrogen 3.057 N/A ASN 224.A N GLU 220.A O no hydrogen 3.348 N/A PHE 225.A N LEU 221.A O no hydrogen 2.822 N/A LEU 226.A N PHE 222.A O no hydrogen 2.751 N/A ASN 227.A N ILE 223.A O no hydrogen 2.980 N/A ALA 228.A N ASN 224.A O no hydrogen 3.057 N/A ALA 228.A N PHE 225.A O no hydrogen 3.069 N/A HIS 229.A N PHE 225.A O no hydrogen 2.734 N/A HIS 229.A ND1 GLU 232.A OE2 no hydrogen 3.139 N/A GLY 230.A N LEU 226.A O no hydrogen 2.804 N/A GLU 232.A N HIS 229.A O no hydrogen 3.090 N/A SER 235.A OG HIS 229.A O no hydrogen 2.768 N/A SER 235.A OG GLU 232.A O no hydrogen 3.569 N/A PHE 237.A N TRP 96.A O no hydrogen 2.755 N/A ILE 239.A N THR 98.A OG1 no hydrogen 3.299 N/A VAL 242.A N PHE 238.A O no hydrogen 3.367 N/A VAL 243.A N ILE 239.A O no hydrogen 2.875 N/A ASN 244.A N PRO 240.A O no hydrogen 2.814 N/A ASP 245.A N PHE 241.A O no hydrogen 3.047 N/A LEU 246.A N VAL 242.A O no hydrogen 3.018 N/A ILE 247.A N VAL 243.A O no hydrogen 3.011 N/A ARG 248.A N ASN 244.A O no hydrogen 2.997 N/A SER 249.A N ASP 245.A O no hydrogen 3.091 N/A SER 249.A OG ASP 245.A O no hydrogen 3.420 N/A SER 249.A OG LEU 246.A O no hydrogen 2.985 N/A GLY 250.A N ILE 247.A O no hydrogen 3.159 N/A ARG 251.A N SER 249.A OG no hydrogen 3.316 N/A ARG 251.A NH1 GLU 220.A OE1 no hydrogen 2.795 N/A ARG 251.A NH1 GLU 220.A OE2 no hydrogen 3.454 N/A ARG 251.A NH2 GLU 220.A OE1 no hydrogen 3.447 N/A ARG 251.A NH2 GLU 220.A OE2 no hydrogen 2.935 N/A ALA 252.A N LEU 246.A O no hydrogen 3.224 N/A SER 253.A N GLY 140.A O no hydrogen 2.909 N/A GLU 255.A N TYR 142.A O no hydrogen 3.040 N/A VAL 256.A N HIS 169.A O no hydrogen 2.860 N/A THR 259.A N LEU 257.A O no hydrogen 3.084 N/A ALA 261.A N THR 259.A OG1 no hydrogen 2.893 N/A TRP 263.A NE1 ASP 119.A OD1 no hydrogen 2.745 N/A PHE 264.A N PHE 120.A O no hydrogen 3.012 N/A THR 267.A N ASP 271.A OD2 no hydrogen 3.226 N/A TYR 268.A N ASP 271.A OD2 no hydrogen 2.897 N/A TYR 268.A OH GLY 157.A O no hydrogen 2.673 N/A ASP 271.A N TYR 268.A O no hydrogen 2.735 N/A ARG 272.A N SER 269.A O no hydrogen 2.989 N/A ARG 272.A NE ASP 22.A OD2 no hydrogen 2.777 N/A ARG 272.A NH2 ASP 22.A OD1 no hydrogen 2.698 N/A ARG 272.A NH2 ASP 22.A OD2 no hydrogen 3.550 N/A GLY 274.A N ASP 271.A O no hydrogen 3.226 N/A VAL 275.A N ASP 271.A O no hydrogen 3.447 N/A VAL 276.A N ARG 272.A O no hydrogen 2.937 N/A ALA 277.A N PRO 273.A O no hydrogen 2.911 N/A LYS 278.A N GLY 274.A O no hydrogen 2.995 N/A LEU 279.A N VAL 275.A O no hydrogen 3.033 N/A ARG 280.A N VAL 276.A O no hydrogen 3.086 N/A GLU 281.A N ALA 277.A O no hydrogen 2.934 N/A LEU 282.A N LYS 278.A O no hydrogen 2.949 N/A THR 283.A N LEU 279.A O no hydrogen 3.048 N/A THR 283.A OG1 LEU 279.A O no hydrogen 2.819 N/A GLU 284.A N ARG 280.A O no hydrogen 2.885 N/A ALA 285.A N GLU 281.A O no hydrogen 3.036 N/A GLY 286.A N THR 283.A O no hydrogen 2.980 N/A GLU 287.A N LEU 282.A O no hydrogen 2.955 N/A TYR 288.A OH ASP 37.A OD2 no hydrogen 2.478 N/A LEU 292.A N ASP 29.A OD2 no hydrogen 2.920 N/A PHE 293.A N ASP 29.A OD1 no hydrogen 3.345 N/A