Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1n61_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N LYS 42.A O no hydrogen 2.900 N/A ASP 7.A N GLU 49.A O no hydrogen 2.850 N/A TYR 8.A OH ASP 53.A OD2 no hydrogen 2.629 N/A HIS 9.A N LEU 51.A O no hydrogen 2.937 N/A HIS 9.A NE2 HIS 50.A ND1 no hydrogen 2.942 N/A ARG 10.A NE ASP 56.A OD2 no hydrogen 2.772 N/A ARG 10.A NH2 ASP 56.A OD1 no hydrogen 2.827 N/A ARG 10.A NH2 ASP 56.A OD2 no hydrogen 3.271 N/A ASP 16.A N SER 13.A OG no hydrogen 3.041 N/A ALA 17.A N SER 13.A O no hydrogen 2.963 N/A VAL 18.A N ILE 14.A O no hydrogen 2.882 N/A ALA 19.A N ALA 15.A O no hydrogen 2.871 N/A LEU 20.A N ASP 16.A O no hydrogen 3.011 N/A LEU 21.A N ALA 17.A O no hydrogen 2.930 N/A THR 22.A N VAL 18.A O no hydrogen 2.935 N/A THR 22.A OG1 VAL 18.A O no hydrogen 2.742 N/A LYS 23.A N ALA 19.A O no hydrogen 2.878 N/A LEU 24.A N LEU 20.A O no hydrogen 2.889 N/A GLY 25.A N LEU 21.A O no hydrogen 3.139 N/A ALA 28.A N GLY 25.A O no hydrogen 2.933 N/A ARG 29.A N HIS 50.A O no hydrogen 3.067 N/A LEU 31.A N VAL 52.A O no hydrogen 2.847 N/A HIS 35.A ND1 GLY 33.A O no hydrogen 2.774 N/A SER 36.A OG ASN 118.A OD1 no hydrogen 3.525 N/A ILE 38.A N GLY 34.A O no hydrogen 2.935 N/A ILE 40.A N SER 36.A O no hydrogen 3.385 N/A MET 41.A N LEU 37.A O no hydrogen 2.987 N/A LYS 42.A N ILE 38.A O no hydrogen 2.860 N/A THR 43.A N PRO 39.A O no hydrogen 3.336 N/A THR 43.A OG1 ILE 40.A O no hydrogen 3.110 N/A ARG 44.A N MET 41.A O no hydrogen 2.926 N/A ARG 44.A NE ILE 2.A O no hydrogen 2.827 N/A ARG 44.A NH2 ILE 2.A O no hydrogen 3.239 N/A ALA 46.A N ILE 40.A O no hydrogen 3.079 N/A GLU 49.A N ASP 27.A O no hydrogen 2.826 N/A HIS 50.A N ASP 27.A O no hydrogen 2.964 N/A HIS 50.A ND1 HIS 9.A NE2 no hydrogen 2.942 N/A LEU 51.A N ASP 7.A O no hydrogen 2.913 N/A VAL 52.A N ARG 29.A O no hydrogen 2.893 N/A ASP 53.A N HIS 9.A O no hydrogen 2.835 N/A LEU 54.A N LEU 31.A O no hydrogen 3.027 N/A ARG 55.A N ASP 53.A OD1 no hydrogen 2.928 N/A ILE 57.A N LEU 54.A O no hydrogen 3.146 N/A LEU 60.A N ILE 57.A O no hydrogen 3.061 N/A VAL 61.A N GLY 58.A O no hydrogen 3.200 N/A GLY 62.A N THR 76.A OG1 no hydrogen 2.937 N/A ARG 64.A N VAL 71.A O no hydrogen 2.870 N/A ARG 64.A NH2 GLU 66.A OE1 no hydrogen 2.858 N/A GLU 66.A N ASP 69.A O no hydrogen 2.956 N/A ASP 69.A N GLU 66.A O no hydrogen 2.999 N/A VAL 70.A N ILE 172.A O no hydrogen 2.861 N/A VAL 71.A N ARG 64.A O no hydrogen 2.792 N/A ILE 72.A N ILE 170.A O no hydrogen 2.808 N/A GLY 73.A N GLY 62.A O no hydrogen 2.811 N/A ALA 74.A N THR 168.A O no hydrogen 2.996 N/A MET 75.A N LEU 60.A O no hydrogen 2.793 N/A THR 76.A N GLY 73.A O no hydrogen 3.035 N/A THR 76.A OG1 GLY 62.A O no hydrogen 3.232 N/A THR 76.A OG1 GLY 73.A O no hydrogen 2.788 N/A GLN 78.A N GLY 110.A O no hydrogen 2.959 N/A HIS 79.A N ARG 107.A O no hydrogen 2.901 N/A ALA 80.A N THR 77.A OG1 no hydrogen 3.174 N/A LEU 81.A N THR 77.A O no hydrogen 2.990 N/A ILE 82.A N GLN 78.A O no hydrogen 2.983 N/A GLY 83.A N HIS 79.A O no hydrogen 3.031 N/A SER 84.A N LEU 81.A O no hydrogen 3.308 N/A LEU 87.A N SER 84.A OG no hydrogen 2.951 N/A ALA 88.A N SER 84.A O no hydrogen 2.998 N/A ALA 89.A N ASP 85.A O no hydrogen 2.997 N/A ALA 89.A N PHE 86.A O no hydrogen 3.138 N/A LYS 90.A N PHE 86.A O no hydrogen 3.034 N/A LEU 91.A N LEU 87.A O no hydrogen 2.789 N/A ILE 94.A N LEU 91.A O no hydrogen 3.008 N/A ARG 95.A NE ILE 82.A O no hydrogen 2.792 N/A ARG 95.A NH2 ILE 82.A O no hydrogen 2.891 N/A GLU 96.A N PRO 92.A O no hydrogen 3.333 N/A THR 97.A N ILE 93.A O no hydrogen 2.966 N/A THR 97.A OG1 ILE 93.A O no hydrogen 2.802 N/A SER 98.A N ILE 94.A O no hydrogen 2.832 N/A SER 98.A OG.A GLN 78.A O no hydrogen 3.403 N/A SER 98.A OG.A GLN 78.A OE1 no hydrogen 2.699 N/A SER 98.A OG.B GLN 78.A OE1 no hydrogen 2.862 N/A SER 98.A OG.B ILE 94.A O no hydrogen 3.166 N/A LEU 99.A N ARG 95.A O no hydrogen 3.017 N/A LEU 100.A N THR 97.A O no hydrogen 2.868 N/A ILE 101.A N SER 98.A O no hydrogen 2.990 N/A GLN 105.A N GLN 105.A OE1 no hydrogen 2.818 N/A ILE 106.A N ASP 103.A OD1 no hydrogen 3.007 N/A ARG 107.A N ASP 103.A O no hydrogen 2.924 N/A ARG 107.A NH1 ILE 101.A O no hydrogen 2.877 N/A TYR 108.A N PRO 104.A O no hydrogen 3.002 N/A TYR 108.A N GLN 105.A O no hydrogen 3.256 N/A MET 109.A N ILE 106.A O no hydrogen 3.069 N/A GLY 110.A N ILE 106.A O no hydrogen 2.739 N/A THR 111.A OG1 ALA 74.A O no hydrogen 3.253 N/A ILE 112.A N THR 76.A O no hydrogen 2.886 N/A GLY 113.A N ALA 74.A O no hydrogen 2.792 N/A GLY 114.A N THR 111.A OG1 no hydrogen 2.953 N/A ASN 115.A N THR 111.A O no hydrogen 2.982 N/A ALA 116.A N ILE 112.A O no hydrogen 2.932 N/A ALA 117.A N GLY 113.A O no hydrogen 2.761 N/A ASN 118.A N GLY 114.A O no hydrogen 2.942 N/A GLY 122.A N ASP 120.A OD1 no hydrogen 2.891 N/A ASN 123.A N ASP 120.A O no hydrogen 3.000 N/A MET 125.A N ASN 115.A OD1 no hydrogen 2.931 N/A MET 129.A N MET 125.A O no hydrogen 2.853 N/A GLN 130.A N PRO 126.A O no hydrogen 2.957 N/A GLN 130.A NE2 ALA 149.A O no hydrogen 3.116 N/A CYS 131.A N ALA 127.A O no hydrogen 2.871 N/A CYS 131.A SG ALA 199.A O no hydrogen 3.730 N/A CYS 131.A SG SER 213.A O no hydrogen 3.416 N/A LEU 132.A N LEU 128.A O no hydrogen 2.903 N/A GLY 133.A N GLN 130.A O no hydrogen 3.106 N/A ALA 134.A N MET 129.A O no hydrogen 2.947 N/A ALA 135.A N ARG 171.A O no hydrogen 2.838 N/A TYR 136.A N VAL 147.A O no hydrogen 2.795 N/A TYR 136.A OH TYR 153.A OH no hydrogen 2.742 N/A GLU 137.A N ALA 169.A O no hydrogen 2.873 N/A LEU 138.A N ARG 145.A O no hydrogen 2.865 N/A THR 139.A N LEU 166.A O no hydrogen 2.901 N/A GLY 140.A N GLY 143.A O no hydrogen 2.903 N/A GLY 143.A N GLY 140.A O no hydrogen 2.969 N/A ARG 145.A N LEU 138.A O no hydrogen 2.894 N/A ARG 145.A NE GLU 165.A OE2 no hydrogen 2.760 N/A ARG 145.A NH1 ALA 160.A O no hydrogen 2.827 N/A ARG 145.A NH1 GLU 165.A OE1 no hydrogen 2.920 N/A ARG 145.A NH1 GLU 165.A OE2 no hydrogen 3.551 N/A VAL 147.A N TYR 136.A O no hydrogen 2.988 N/A ALA 149.A N ALA 134.A O no hydrogen 2.850 N/A ARG 150.A NE GLN 130.A O no hydrogen 2.918 N/A ARG 150.A NH2 GLN 130.A O no hydrogen 3.145 N/A ARG 150.A NH2 CYS 131.A O no hydrogen 3.464 N/A ASP 151.A N ALA 148.A O no hydrogen 2.836 N/A TYR 152.A N ALA 149.A O no hydrogen 3.251 N/A TYR 153.A OH ALA 116.A O no hydrogen 2.582 N/A TYR 153.A OH TYR 136.A OH no hydrogen 2.742 N/A GLN 154.A N PHE 158.A O no hydrogen 2.947 N/A GLN 154.A NE2 ASP 151.A O no hydrogen 2.832 N/A GLY 155.A N PHE 158.A O no hydrogen 3.097 N/A TYR 157.A N GLY 119.A O no hydrogen 2.828 N/A PHE 158.A N GLY 155.A O no hydrogen 3.100 N/A ALA 160.A N TYR 152.A O no hydrogen 2.897 N/A GLU 162.A N GLU 165.A OE1 no hydrogen 2.823 N/A GLU 165.A N GLU 162.A O no hydrogen 3.129 N/A LEU 166.A N THR 139.A O no hydrogen 2.865 N/A THR 168.A N GLU 137.A O no hydrogen 2.812 N/A THR 168.A OG1 GLU 137.A O no hydrogen 3.116 N/A ALA 169.A N GLU 137.A O no hydrogen 3.464 N/A ILE 170.A N ILE 72.A O no hydrogen 2.891 N/A ARG 171.A N ALA 135.A O no hydrogen 2.816 N/A ARG 171.A NE GLU 137.A OE2 no hydrogen 2.791 N/A ARG 171.A NH1 GLU 66.A OE2 no hydrogen 2.850 N/A ARG 171.A NH1 ASP 69.A OD2 no hydrogen 2.884 N/A ARG 171.A NH2 GLU 66.A OE2 no hydrogen 2.799 N/A ARG 171.A NH2 GLU 137.A OE2 no hydrogen 2.963 N/A ILE 172.A N VAL 70.A O no hydrogen 2.876 N/A VAL 174.A N THR 68.A O no hydrogen 3.040 N/A HIS 179.A N PRO 176.A O no hydrogen 3.106 N/A HIS 179.A ND1 PRO 176.A O no hydrogen 2.832 N/A GLY 180.A N LEU 202.A O no hydrogen 2.815 N/A ALA 182.A N VAL 200.A O no hydrogen 2.968 N/A TYR 183.A N GLU 96.A OE2 no hydrogen 2.829 N/A TYR 183.A OH ASP 124.A OD1 no hydrogen 2.571 N/A TYR 183.A OH THR 217.A OG1 no hydrogen 2.753 N/A GLU 184.A N ALA 198.A O no hydrogen 2.923 N/A LYS 185.A NZ LEU 100.A O no hydrogen 2.853 N/A LYS 185.A NZ ASP 124.A OD2 no hydrogen 2.735 N/A LYS 185.A NZ ASP 192.A O no hydrogen 3.346 N/A LEU 186.A N ALA 196.A O no hydrogen 2.946 N/A ARG 188.A N ASP 192.A OD2 no hydrogen 2.984 N/A ARG 188.A NE ASP 192.A OD2 no hydrogen 2.822 N/A ARG 188.A NH2 ASP 192.A OD1 no hydrogen 2.984 N/A ASP 192.A N LYS 189.A O no hydrogen 3.046 N/A THR 195.A N LEU 186.A O no hydrogen 2.821 N/A ALA 197.A N THR 217.A O no hydrogen 3.311 N/A ALA 198.A N GLU 184.A O no hydrogen 2.927 N/A ALA 199.A N GLY 215.A O no hydrogen 2.852 N/A VAL 200.A N ALA 182.A O no hydrogen 2.862 N/A VAL 201.A N SER 213.A O no hydrogen 3.037 N/A LEU 202.A N GLY 180.A O no hydrogen 3.005 N/A THR 203.A N THR 211.A O no hydrogen 2.993 N/A THR 203.A OG1 THR 211.A OG1.B no hydrogen 2.642 N/A SER 205.A N LYS 208.A O no hydrogen 2.864 N/A LYS 208.A N SER 205.A O no hydrogen 2.961 N/A CYS 209.A N THR 236.A O no hydrogen 2.898 N/A CYS 209.A SG THR 203.A O no hydrogen 3.857 N/A CYS 209.A SG THR 211.A O no hydrogen 3.224 N/A VAL 210.A N THR 203.A O no hydrogen 2.818 N/A THR 211.A OG1.B THR 203.A OG1 no hydrogen 2.642 N/A SER 213.A N VAL 201.A O no hydrogen 2.870 N/A SER 213.A OG CYS 131.A O no hydrogen 2.748 N/A GLY 215.A N ALA 199.A O no hydrogen 2.879 N/A LEU 216.A N LEU 224.A O no hydrogen 2.780 N/A THR 217.A N ALA 197.A O no hydrogen 2.906 N/A THR 217.A OG1 TYR 183.A OH no hydrogen 2.753 N/A ASN 218.A ND2 ALA 194.A O no hydrogen 2.807 N/A THR 222.A OG1 PRO 223.A O no hydrogen 2.746 N/A LEU 224.A N LEU 216.A O no hydrogen 3.035 N/A TRP 225.A NE1 SER 213.A OG no hydrogen 3.054 N/A ALA 226.A N ILE 214.A O no hydrogen 2.871 N/A GLU 227.A N TRP 225.A O no hydrogen 2.843 N/A GLY 230.A N ALA 226.A O no hydrogen 3.114 N/A LYS 231.A N GLU 227.A O no hydrogen 3.114 N/A LYS 231.A NZ GLU 227.A OE2 no hydrogen 3.255 N/A LYS 231.A NZ GLU 228.A OE1 no hydrogen 3.135 N/A VAL 232.A N GLU 228.A O no hydrogen 3.097 N/A LEU 233.A N GLY 230.A O no hydrogen 3.100 N/A VAL 234.A N LYS 231.A O no hydrogen 3.190 N/A GLY 235.A N CYS 209.A O no hydrogen 2.764 N/A THR 236.A N LEU 233.A O no hydrogen 3.050 N/A THR 236.A OG1 LEU 233.A O no hydrogen 2.688 N/A LEU 238.A N THR 236.A OG1 no hydrogen 3.112 N/A ALA 242.A N ASP 239.A OD1 no hydrogen 3.478 N/A LEU 243.A N ASP 239.A O no hydrogen 2.974 N/A ASP 244.A N LYS 240.A O no hydrogen 2.815 N/A LYS 245.A N PRO 241.A O no hydrogen 3.451 N/A ALA 246.A N ALA 242.A O no hydrogen 3.133 N/A VAL 247.A N LEU 243.A O no hydrogen 2.791 N/A ALA 248.A N ASP 244.A O no hydrogen 3.074 N/A LEU 249.A N LYS 245.A O no hydrogen 3.113 N/A ALA 250.A N ALA 246.A O no hydrogen 2.882 N/A GLU 251.A N VAL 247.A O no hydrogen 2.804 N/A ALA 252.A N ALA 248.A O no hydrogen 3.089 N/A ILE 253.A N ALA 250.A O no hydrogen 3.253 N/A THR 254.A N GLU 251.A O no hydrogen 3.107 N/A THR 254.A OG1 GLU 251.A O no hydrogen 2.738 N/A THR 254.A OG1 THR 268.A OG1 no hydrogen 2.764 N/A ALA 255.A N VAL 219.A O no hydrogen 2.799 N/A ASP 259.A N GLY 262.A O no hydrogen 3.345 N/A ARG 261.A N ASP 259.A OD1 no hydrogen 2.901 N/A ARG 261.A NE TYR 193.A O no hydrogen 2.959 N/A ARG 261.A NH1 ASP 259.A OD1 no hydrogen 3.347 N/A ARG 261.A NH1 ASP 259.A OD2 no hydrogen 3.214 N/A ARG 261.A NH2 ASP 192.A OD1 no hydrogen 2.899 N/A GLY 262.A N ASP 259.A O no hydrogen 2.954 N/A ALA 264.A N SER 258.A OG no hydrogen 3.031 N/A ARG 267.A N PRO 263.A O no hydrogen 3.210 N/A ARG 267.A NE THR 195.A O no hydrogen 2.876 N/A ARG 267.A NH1 ALA 257.A O no hydrogen 3.012 N/A ARG 267.A NH1 ASP 259.A OD2 no hydrogen 3.175 N/A ARG 267.A NH2 ALA 194.A O no hydrogen 3.061 N/A ARG 267.A NH2 THR 195.A O no hydrogen 3.444 N/A THR 268.A N ALA 264.A O no hydrogen 2.864 N/A THR 268.A OG1 THR 254.A OG1 no hydrogen 2.764 N/A THR 268.A OG1 ALA 264.A O no hydrogen 3.346 N/A LYS 269.A N GLU 265.A O no hydrogen 3.026 N/A LYS 269.A NZ GLU 251.A OE1 no hydrogen 2.893 N/A MET 270.A N TYR 266.A O no hydrogen 2.805 N/A ALA 271.A N ARG 267.A O no hydrogen 2.960 N/A GLY 272.A N THR 268.A O no hydrogen 3.303 N/A VAL 273.A N LYS 269.A O no hydrogen 2.991 N/A MET 274.A N MET 270.A O no hydrogen 2.811 N/A LEU 275.A N ALA 271.A O no hydrogen 2.922 N/A ARG 276.A N GLY 272.A O no hydrogen 3.011 N/A ARG 276.A NH1 ASP 244.A OD1 no hydrogen 2.940 N/A ARG 276.A NH2 ASP 244.A OD1 no hydrogen 2.793 N/A ARG 277.A N VAL 273.A O no hydrogen 2.976 N/A ALA 278.A N MET 274.A O no hydrogen 2.877 N/A VAL 279.A N LEU 275.A O no hydrogen 2.819 N/A GLU 280.A N ARG 276.A O no hydrogen 3.002 N/A ARG 281.A N ARG 277.A O no hydrogen 3.041 N/A ARG 281.A NE GLU 184.A OE2 no hydrogen 2.918 N/A ARG 281.A NH1 GLU 96.A OE2 no hydrogen 3.084 N/A ARG 281.A NH2 GLU 96.A OE2 no hydrogen 3.033 N/A ARG 281.A NH2 GLU 184.A OE2 no hydrogen 2.805 N/A ALA 282.A N ALA 278.A O no hydrogen 2.900 N/A LYS 283.A N VAL 279.A O no hydrogen 2.826 N/A LYS 283.A NZ ALA 237.A O no hydrogen 2.847 N/A LYS 283.A NZ LEU 238.A O no hydrogen 3.010 N/A ALA 284.A N GLU 280.A O no hydrogen 3.116 N/A ARG 285.A N ARG 281.A O no hydrogen 3.096 N/A ARG 285.A NH1 GLU 96.A OE1 no hydrogen 2.777 N/A ARG 285.A NH1 GLU 96.A OE2 no hydrogen 3.387 N/A ARG 285.A NH1 TYR 181.A O no hydrogen 2.843 N/A ARG 285.A NH2 GLU 96.A OE1 no hydrogen 2.916 N/A ALA 286.A N ALA 282.A O no hydrogen 2.855 N/A