Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3doj_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 7.A N LYS 29.A O no hydrogen 2.893 N/A GLY 8.A N TYR 63.A O no hydrogen 2.912 N/A PHE 9.A N THR 31.A O no hydrogen 2.761 N/A LEU 10.A N ILE 65.A O no hydrogen 2.791 N/A GLY 11.A N TRP 33.A O no hydrogen 2.990 N/A LEU 12.A N ASN 34.A OD1 no hydrogen 2.796 N/A LYS 17.A N GLY 13.A O no hydrogen 2.843 N/A LYS 17.A NZ GLU 42.A OE2 no hydrogen 3.054 N/A ALA 18.A N ILE 14.A O no hydrogen 3.438 N/A MET 19.A N MET 15.A O no hydrogen 2.840 N/A SER 20.A N GLY 16.A O no hydrogen 2.903 N/A SER 20.A OG GLY 16.A O no hydrogen 2.816 N/A SER 20.A OG LYS 17.A O no hydrogen 3.256 N/A MET 21.A N LYS 17.A O no hydrogen 3.041 N/A ASN 22.A N ALA 18.A O no hydrogen 3.123 N/A ASN 22.A ND2 VAL 156.A O no hydrogen 2.922 N/A LEU 23.A N MET 19.A O no hydrogen 3.081 N/A LEU 24.A N SER 20.A O no hydrogen 2.985 N/A LYS 25.A N MET 21.A O no hydrogen 2.855 N/A ASN 26.A N LEU 23.A O no hydrogen 3.006 N/A ASN 26.A ND2 ASN 22.A O no hydrogen 2.734 N/A GLY 27.A N LEU 24.A O no hydrogen 3.230 N/A PHE 28.A N LEU 23.A O no hydrogen 3.072 N/A LYS 29.A N MET 5.A O no hydrogen 3.016 N/A THR 31.A N VAL 7.A O no hydrogen 2.993 N/A THR 31.A OG1 GLU 6.A OE2 no hydrogen 3.369 N/A VAL 32.A N SER 49.A O no hydrogen 2.926 N/A TRP 33.A N PHE 9.A O no hydrogen 2.993 N/A ASN 34.A ND2 THR 36.A O no hydrogen 2.839 N/A LYS 39.A N THR 36.A O no hydrogen 3.262 N/A CYS 40.A N LEU 37.A O no hydrogen 2.849 N/A ASP 41.A N SER 38.A O no hydrogen 3.048 N/A VAL 44.A N CYS 40.A O no hydrogen 2.939 N/A GLU 45.A N ASP 41.A O no hydrogen 3.080 N/A HIS 46.A N LEU 43.A O no hydrogen 2.989 N/A HIS 46.A ND1 GLU 42.A O no hydrogen 2.941 N/A GLY 47.A N VAL 44.A O no hydrogen 2.932 N/A ALA 48.A N LEU 43.A O no hydrogen 2.953 N/A SER 49.A N VAL 30.A O no hydrogen 2.920 N/A CYS 51.A N VAL 32.A O no hydrogen 3.135 N/A ALA 55.A N GLY 82.A O no hydrogen 3.020 N/A GLU 56.A N SER 53.A OG no hydrogen 3.146 N/A VAL 57.A N SER 53.A O no hydrogen 3.191 N/A ILE 58.A N PRO 54.A O no hydrogen 2.978 N/A LYS 59.A N ALA 55.A O no hydrogen 2.979 N/A LYS 60.A N GLU 56.A O no hydrogen 3.001 N/A LYS 60.A NZ THR 31.A OG1 no hydrogen 2.848 N/A CYS 61.A N VAL 57.A O no hydrogen 2.835 N/A CYS 61.A SG GLU 6.A OE2 no hydrogen 3.772 N/A CYS 61.A SG VAL 57.A O no hydrogen 3.576 N/A LYS 62.A NZ GLY 91.A O no hydrogen 2.771 N/A TYR 63.A OH GLU 149.A OE1 no hydrogen 2.651 N/A THR 64.A N GLY 93.A O no hydrogen 2.911 N/A ILE 65.A N GLY 8.A O no hydrogen 2.871 N/A ALA 66.A N ILE 95.A O no hydrogen 2.903 N/A MET 67.A N LEU 10.A O no hydrogen 2.824 N/A LEU 68.A N SER 98.A OG no hydrogen 2.798 N/A ALA 73.A N ASP 70.A OD1 no hydrogen 2.852 N/A ALA 74.A N ASP 70.A O no hydrogen 2.971 N/A LEU 75.A N PRO 71.A O no hydrogen 2.990 N/A SER 76.A N CYS 72.A O no hydrogen 2.976 N/A SER 76.A OG.A ASP 80.A OD2 no hydrogen 2.630 N/A SER 76.A OG.B CYS 72.A O no hydrogen 2.843 N/A VAL 77.A N ALA 73.A O no hydrogen 2.939 N/A VAL 78.A N LEU 75.A O no hydrogen 2.965 N/A PHE 79.A N LEU 75.A O no hydrogen 2.818 N/A ASP 80.A N SER 76.A O no hydrogen 2.888 N/A GLY 82.A N GLU 86.A OE2 no hydrogen 3.145 N/A VAL 84.A N VAL 77.A O no hydrogen 2.842 N/A LEU 85.A N VAL 78.A O no hydrogen 3.085 N/A GLU 86.A N GLY 83.A O no hydrogen 3.441 N/A GLN 87.A N VAL 84.A O no hydrogen 3.141 N/A ILE 88.A N LEU 85.A O no hydrogen 3.440 N/A CYS 89.A SG GLU 90.A O no hydrogen 3.666 N/A LYS 92.A N CYS 89.A O no hydrogen 3.034 N/A LYS 92.A NZ ILE 58.A O no hydrogen 2.806 N/A LYS 92.A NZ LYS 59.A O no hydrogen 2.922 N/A LYS 92.A NZ CYS 61.A O no hydrogen 3.376 N/A GLY 93.A N LYS 62.A O no hydrogen 2.725 N/A TYR 94.A N ARG 118.A O no hydrogen 2.966 N/A ILE 95.A N THR 64.A O no hydrogen 2.815 N/A ASP 96.A N VAL 120.A O no hydrogen 2.913 N/A MET 97.A N ALA 66.A O no hydrogen 2.766 N/A SER 98.A N ASP 96.A OD1 no hydrogen 3.013 N/A SER 98.A OG ASP 96.A OD1 no hydrogen 2.622 N/A THR 104.A N ASP 101.A O no hydrogen 3.025 N/A THR 104.A N ASP 101.A OD1 no hydrogen 3.252 N/A THR 104.A OG1 ASP 101.A OD1 no hydrogen 2.680 N/A SER 105.A N ASP 101.A O no hydrogen 3.328 N/A SER 105.A OG ALA 102.A O no hydrogen 3.124 N/A SER 105.A OG GLU 121.A OE2 no hydrogen 2.984 N/A LEU 106.A N ALA 102.A O no hydrogen 2.856 N/A LYS 107.A N GLU 103.A O no hydrogen 3.122 N/A LYS 107.A NZ GLU 103.A OE1 no hydrogen 3.307 N/A ILE 108.A N THR 104.A O no hydrogen 3.031 N/A ASN 109.A N SER 105.A O no hydrogen 2.798 N/A GLU 110.A N LEU 106.A O no hydrogen 3.017 N/A ALA 111.A N LYS 107.A O no hydrogen 3.232 N/A ILE 112.A N ILE 108.A O no hydrogen 2.890 N/A THR 113.A N ASN 109.A O no hydrogen 2.928 N/A THR 113.A OG1 ASN 109.A O no hydrogen 2.999 N/A THR 113.A OG1 GLU 110.A O no hydrogen 3.513 N/A GLY 114.A N GLU 110.A O no hydrogen 2.933 N/A LYS 115.A N ILE 112.A O no hydrogen 3.110 N/A LYS 115.A NZ LEU 85.A O no hydrogen 2.747 N/A GLY 116.A N THR 113.A O no hydrogen 2.979 N/A GLY 117.A N ILE 112.A O no hydrogen 2.998 N/A ARG 118.A N LYS 92.A O no hydrogen 2.954 N/A ARG 118.A NH1 GLU 149.A OE2 no hydrogen 2.939 N/A ARG 118.A NH2 GLU 149.A OE1 no hydrogen 2.807 N/A VAL 120.A N TYR 94.A O no hydrogen 2.989 N/A GLU 121.A N ALA 141.A O no hydrogen 2.944 N/A GLY 122.A N ASP 96.A O no hydrogen 2.842 N/A SER 125.A N ILE 137.A O no hydrogen 2.796 N/A ALA 131.A N SER 127.A O no hydrogen 3.007 N/A GLU 132.A N LYS 128.A O no hydrogen 2.969 N/A ASP 133.A N LYS 129.A O no hydrogen 2.934 N/A GLN 135.A N PRO 130.A O no hydrogen 2.685 N/A GLN 135.A NE2 ASP 133.A O no hydrogen 3.155 N/A LEU 136.A N LEU 157.A O no hydrogen 3.459 N/A ILE 137.A N SER 125.A O no hydrogen 2.970 N/A ILE 138.A N ARG 160.A O no hydrogen 2.890 N/A LEU 139.A N PRO 123.A O no hydrogen 2.825 N/A ALA 140.A N PHE 162.A O no hydrogen 2.841 N/A ALA 141.A N GLU 121.A O no hydrogen 2.895 N/A GLY 142.A N GLY 165.A O no hydrogen 2.796 N/A ASP 143.A N PHE 119.A O no hydrogen 2.977 N/A LEU 146.A N ASP 143.A OD2 no hydrogen 2.853 N/A PHE 147.A N ASP 143.A O no hydrogen 2.890 N/A GLU 148.A N LYS 144.A O no hydrogen 3.017 N/A GLU 149.A N ALA 145.A O no hydrogen 3.017 N/A SER 150.A N PHE 147.A O no hydrogen 2.904 N/A SER 150.A OG LEU 146.A O no hydrogen 2.803 N/A ILE 151.A N GLU 148.A O no hydrogen 3.182 N/A PHE 154.A N SER 150.A O no hydrogen 2.953 N/A ASP 155.A N ILE 151.A O no hydrogen 2.698 N/A VAL 156.A N ALA 153.A O no hydrogen 3.062 N/A LEU 157.A N ALA 153.A O no hydrogen 2.946 N/A GLY 158.A N PHE 154.A O no hydrogen 2.811 N/A LYS 159.A N LEU 136.A O no hydrogen 2.776 N/A ARG 160.A NE.B LYS 159.A O no hydrogen 3.501 N/A ARG 160.A NH2.A SER 161.A O no hydrogen 2.951 N/A PHE 162.A N ILE 138.A O no hydrogen 2.793 N/A TYR 163.A OH GLY 142.A O no hydrogen 2.700 N/A LEU 164.A N ALA 140.A O no hydrogen 2.781 N/A GLY 168.A N GLU 121.A OE1 no hydrogen 2.631 N/A ASN 169.A N GLN 166.A O no hydrogen 3.151 N/A ASN 169.A ND2 LEU 164.A O no hydrogen 2.711 N/A GLY 170.A N GLU 121.A OE1 no hydrogen 2.933 N/A ALA 171.A N GLU 121.A OE1 no hydrogen 3.246 N/A LYS 172.A N GLY 168.A O no hydrogen 2.896 N/A MET 173.A N ASN 169.A O no hydrogen 2.943 N/A LYS 174.A N GLY 170.A O no hydrogen 2.902 N/A LYS 174.A NZ VAL 124.A O no hydrogen 2.799 N/A LYS 174.A NZ ASN 178.A OD1 no hydrogen 2.915 N/A LEU 175.A N ALA 171.A O no hydrogen 3.009 N/A ILE 176.A N LYS 172.A O no hydrogen 3.086 N/A VAL 177.A N MET 173.A O no hydrogen 3.040 N/A ASN 178.A N LYS 174.A O no hydrogen 2.970 N/A ASN 178.A ND2 ASP 243.A OD2 no hydrogen 2.823 N/A MET 179.A N LEU 175.A O no hydrogen 2.911 N/A MET 179.A N ILE 176.A O no hydrogen 3.162 N/A ILE 180.A N ILE 176.A O no hydrogen 3.142 N/A MET 181.A N VAL 177.A O no hydrogen 3.080 N/A GLY 182.A N ASN 178.A O no hydrogen 2.883 N/A SER 183.A N MET 179.A O no hydrogen 2.924 N/A SER 183.A OG MET 179.A O no hydrogen 3.117 N/A MET 184.A N ILE 180.A O no hydrogen 2.730 N/A MET 185.A N MET 181.A O no hydrogen 2.878 N/A ASN 186.A N GLY 182.A O no hydrogen 3.174 N/A ASN 186.A ND2 GLY 182.A O no hydrogen 3.144 N/A ALA 187.A N SER 183.A O no hydrogen 2.946 N/A PHE 188.A N MET 184.A O no hydrogen 2.826 N/A SER 189.A N MET 185.A O no hydrogen 2.923 N/A SER 189.A OG MET 185.A O no hydrogen 2.736 N/A GLU 190.A N ASN 186.A O no hydrogen 2.942 N/A GLY 191.A N ALA 187.A O no hydrogen 3.202 N/A LEU 192.A N PHE 188.A O no hydrogen 2.995 N/A VAL 193.A N SER 189.A O no hydrogen 3.009 N/A LEU 194.A N GLU 190.A O no hydrogen 2.899 N/A ALA 195.A N GLY 191.A O no hydrogen 2.875 N/A ASP 196.A N LEU 192.A O no hydrogen 3.215 N/A LYS 197.A N VAL 193.A O no hydrogen 2.873 N/A SER 198.A N LEU 194.A O no hydrogen 2.966 N/A SER 198.A N ALA 195.A O no hydrogen 3.153 N/A SER 198.A OG LEU 194.A O no hydrogen 2.829 N/A GLY 199.A N ASP 196.A O no hydrogen 3.321 N/A LEU 200.A N ALA 195.A O no hydrogen 2.959 N/A SER 201.A OG THR 204.A OG1 no hydrogen 3.330 N/A SER 202.A OG.A LEU 192.A O no hydrogen 2.715 N/A ASP 203.A N SER 201.A OG no hydrogen 3.178 N/A THR 204.A N SER 201.A OG no hydrogen 3.091 N/A THR 204.A OG1 SER 201.A OG no hydrogen 3.330 N/A LEU 205.A N SER 201.A O no hydrogen 2.996 N/A LEU 206.A N SER 202.A O no hydrogen 3.070 N/A ASP 207.A N ASP 203.A O no hydrogen 3.015 N/A ILE 208.A N THR 204.A O no hydrogen 2.911 N/A LEU 209.A N LEU 205.A O no hydrogen 2.875 N/A ASP 210.A N LEU 206.A O no hydrogen 2.949 N/A LEU 211.A N ILE 208.A O no hydrogen 3.177 N/A GLY 212.A N LEU 209.A O no hydrogen 3.322 N/A THR 215.A N GLY 212.A O no hydrogen 3.162 N/A THR 215.A OG1 ASP 210.A O no hydrogen 2.940 N/A ASN 216.A ND2 MET 214.A O no hydrogen 2.855 N/A PHE 219.A N ASN 216.A OD1 no hydrogen 2.842 N/A LYS 220.A N ASN 216.A O no hydrogen 3.102 N/A GLY 221.A N PRO 217.A O no hydrogen 2.789 N/A LYS 222.A N MET 218.A O no hydrogen 2.827 N/A LYS 222.A NZ ASP 280.A OD1 no hydrogen 3.059 N/A LYS 222.A NZ ASP 280.A OD2 no hydrogen 2.750 N/A GLY 223.A N PHE 219.A O no hydrogen 2.827 N/A MET 226.A N LYS 222.A O no hydrogen 2.879 N/A ASN 227.A N GLY 223.A O no hydrogen 2.948 N/A ASN 227.A ND2 SER 202.A O no hydrogen 3.301 N/A ASN 227.A ND2 ASP 203.A OD1 no hydrogen 3.101 N/A LYS 228.A N SER 225.A O no hydrogen 2.924 N/A SER 229.A N MET 226.A O no hydrogen 2.852 N/A SER 230.A N SER 225.A O no hydrogen 2.907 N/A TYR 231.A OH GLU 286.A OE1 no hydrogen 2.651 N/A ALA 234.A N ASP 280.A OD1 no hydrogen 2.957 N/A PHE 235.A N ASP 280.A OD1 no hydrogen 2.994 N/A LEU 237.A N LEU 279.A O no hydrogen 2.757 N/A LYS 238.A N GLY 277.A O no hydrogen 2.951 N/A LYS 238.A NZ ASP 278.A OD1 no hydrogen 2.978 N/A HIS 239.A N PRO 236.A O no hydrogen 3.041 N/A GLN 240.A N PRO 236.A O no hydrogen 3.226 N/A GLN 240.A NE2 ASN 178.A O no hydrogen 3.172 N/A GLN 240.A NE2 GLN 240.A O no hydrogen 2.963 N/A GLN 241.A N LEU 237.A O no hydrogen 2.927 N/A GLN 241.A NE2 ASN 265.A OD1 no hydrogen 2.866 N/A LYS 242.A N LYS 238.A O no hydrogen 3.135 N/A ASP 243.A N HIS 239.A O no hydrogen 2.920 N/A MET 244.A N GLN 240.A O no hydrogen 2.936 N/A ARG 245.A N GLN 241.A O no hydrogen 3.014 N/A LEU 246.A N LYS 242.A O no hydrogen 2.923 N/A ALA 247.A N ASP 243.A O no hydrogen 2.857 N/A LEU 248.A N MET 244.A O no hydrogen 2.892 N/A ALA 249.A N ARG 245.A O no hydrogen 2.903 N/A LEU 250.A N LEU 246.A O no hydrogen 3.045 N/A GLY 251.A N ALA 247.A O no hydrogen 2.923 N/A ASP 252.A N LEU 248.A O no hydrogen 2.731 N/A GLU 253.A N ALA 249.A O no hydrogen 2.793 N/A ASN 254.A N LEU 250.A O no hydrogen 3.064 N/A ASN 254.A N GLY 251.A O no hydrogen 3.163 N/A ASN 254.A ND2 LEU 250.A O no hydrogen 3.324 N/A ALA 255.A N ASP 252.A O no hydrogen 3.162 N/A VAL 256.A N GLY 251.A O no hydrogen 2.856 N/A ALA 262.A N MET 258.A O no hydrogen 2.923 N/A ALA 263.A N PRO 259.A O no hydrogen 2.936 N/A ALA 264.A N VAL 260.A O no hydrogen 2.964 N/A ASN 265.A N ALA 261.A O no hydrogen 2.844 N/A GLU 266.A N ALA 262.A O no hydrogen 3.230 N/A ALA 267.A N ALA 263.A O no hydrogen 3.106 N/A PHE 268.A N ALA 264.A O no hydrogen 2.977 N/A LYS 269.A N ASN 265.A O no hydrogen 3.010 N/A LYS 269.A NZ GLU 266.A OE1 no hydrogen 2.715 N/A LYS 269.A NZ GLU 266.A OE2 no hydrogen 3.526 N/A LYS 270.A N GLU 266.A O no hydrogen 3.027 N/A ALA 271.A N ALA 267.A O no hydrogen 2.974 N/A ARG 272.A N PHE 268.A O no hydrogen 2.927 N/A ARG 272.A NH2 GLN 241.A OE1 no hydrogen 3.022 N/A SER 273.A N LYS 269.A O no hydrogen 2.985 N/A SER 273.A OG.A LYS 270.A O no hydrogen 2.632 N/A LEU 274.A N LYS 270.A O no hydrogen 3.075 N/A LEU 274.A N ALA 271.A O no hydrogen 2.990 N/A GLY 275.A N ARG 272.A O no hydrogen 2.848 N/A LEU 276.A N ALA 271.A O no hydrogen 3.216 N/A LEU 279.A N LEU 276.A O no hydrogen 3.075 N/A ASP 280.A N TYR 231.A O no hydrogen 2.949 N/A PHE 281.A N PHE 235.A O no hydrogen 2.903 N/A SER 282.A N ASP 280.A OD2 no hydrogen 3.226 N/A SER 282.A OG ASP 280.A OD2 no hydrogen 2.690 N/A ALA 283.A N ASP 280.A O no hydrogen 2.869 N/A VAL 284.A N PHE 281.A O no hydrogen 3.132 N/A ILE 285.A N SER 282.A O no hydrogen 3.378 N/A GLU 286.A N ALA 283.A O no hydrogen 2.900 N/A ALA 287.A N VAL 284.A O no hydrogen 2.955 N/A LYS 289.A N ILE 285.A O no hydrogen 2.902 N/A LYS 289.A NZ GLU 286.A OE1 no hydrogen 3.031 N/A PHE 290.A N GLU 286.A O no hydrogen 3.110 N/A