Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3li2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A OG1 VAL 15.A O no hydrogen 3.186 N/A ILE 4.A N VAL 15.A O no hydrogen 2.786 N/A VAL 6.A N VAL 13.A O no hydrogen 2.784 N/A ASP 8.A N GLY 11.A O no hydrogen 2.666 N/A GLU 9.A N SER 107.A O no hydrogen 2.801 N/A ASN 10.A ND2 ASN 96.A OD1 no hydrogen 3.645 N/A GLY 11.A N ASP 8.A OD1 no hydrogen 2.755 N/A VAL 13.A N VAL 6.A O no hydrogen 2.530 N/A LYS 14.A NZ SER 5.A OG no hydrogen 3.033 N/A VAL 15.A N ILE 4.A O no hydrogen 2.991 N/A LYS 17.A N SER 2.A O no hydrogen 3.300 N/A ALA 19.A N PRO 16.A O no hydrogen 3.066 N/A LYS 20.A N ASP 83.A OD2 no hydrogen 2.789 N/A ARG 21.A N ASP 83.A OD2 no hydrogen 2.848 N/A ARG 21.A NE LEU 80.A O no hydrogen 2.915 N/A ARG 21.A NE LYS 81.A O no hydrogen 3.067 N/A ARG 21.A NH2 LEU 80.A O no hydrogen 2.463 N/A VAL 23.A N LEU 84.A O no hydrogen 2.973 N/A VAL 24.A N GLY 42.A O no hydrogen 3.088 N/A LEU 25.A N ILE 86.A O no hydrogen 2.836 N/A TYR 27.A N GLU 26.A OE1 no hydrogen 3.099 N/A TYR 27.A OH ASP 45.A O no hydrogen 2.906 N/A TYR 27.A OH ASP 46.A OD2 no hydrogen 2.480 N/A SER 28.A OG SER 110.A OG no hydrogen 2.675 N/A ALA 30.A N GLU 26.A O no hydrogen 3.396 N/A ASP 31.A N TYR 27.A O no hydrogen 2.965 N/A ALA 32.A N SER 28.A O no hydrogen 2.903 N/A LEU 33.A N PHE 29.A O no hydrogen 3.032 N/A ALA 34.A N ALA 30.A O no hydrogen 3.234 N/A ALA 35.A N ASP 31.A O no hydrogen 3.167 N/A LEU 36.A N LEU 33.A O no hydrogen 2.918 N/A ASP 37.A N ALA 34.A O no hydrogen 2.963 N/A VAL 38.A N LEU 33.A O no hydrogen 2.931 N/A VAL 41.A N ILE 22.A O no hydrogen 2.857 N/A GLY 42.A N ILE 22.A O no hydrogen 3.343 N/A ILE 43.A N THR 64.A O no hydrogen 2.974 N/A ALA 44.A N VAL 24.A O no hydrogen 3.097 N/A ASP 46.A N GLY 67.A O no hydrogen 3.091 N/A GLY 47.A N ASP 45.A OD1 no hydrogen 2.956 N/A LYS 48.A N ASP 45.A O no hydrogen 2.710 N/A ARG 51.A N LYS 48.A O no hydrogen 2.800 N/A ILE 52.A N LYS 49.A O no hydrogen 3.029 N/A ARG 57.A N ILE 53.A O no hydrogen 2.818 N/A GLU 58.A N LYS 54.A O no hydrogen 3.148 N/A LYS 59.A NZ ALA 34.A O no hydrogen 3.192 N/A LYS 59.A NZ ASP 37.A OD2 no hydrogen 2.756 N/A ILE 60.A N VAL 56.A O no hydrogen 2.818 N/A ILE 60.A N ARG 57.A O no hydrogen 3.365 N/A GLY 61.A N ARG 57.A O no hydrogen 3.171 N/A TYR 63.A OH ASP 45.A OD2 no hydrogen 2.498 N/A THR 64.A N VAL 41.A O no hydrogen 2.687 N/A SER 65.A OG ASP 45.A OD1 no hydrogen 2.627 N/A VAL 66.A N ILE 43.A O no hydrogen 2.757 N/A GLY 67.A N SER 65.A OG no hydrogen 3.212 N/A ARG 69.A N ASP 46.A OD1 no hydrogen 3.437 N/A ARG 69.A NE ASP 46.A OD2 no hydrogen 2.746 N/A ARG 69.A NH1 GLU 26.A OE1 no hydrogen 3.194 N/A ARG 69.A NH1 GLU 26.A OE2 no hydrogen 3.452 N/A GLN 71.A N THR 68.A OG1 no hydrogen 2.687 N/A ASN 73.A N VAL 66.A O no hydrogen 2.787 N/A GLU 76.A N ASN 73.A OD1 no hydrogen 3.054 N/A ILE 77.A N ASN 73.A O no hydrogen 3.084 N/A SER 78.A N LEU 74.A O no hydrogen 2.959 N/A LYS 79.A N GLU 75.A O no hydrogen 3.154 N/A LEU 80.A N GLU 76.A O no hydrogen 3.314 N/A LYS 81.A N SER 78.A O no hydrogen 2.823 N/A ASP 83.A N ARG 21.A O no hydrogen 2.573 N/A LEU 84.A N ARG 21.A O no hydrogen 3.249 N/A ILE 85.A N PRO 104.A O no hydrogen 3.271 N/A ILE 86.A N VAL 23.A O no hydrogen 2.835 N/A ALA 87.A N LEU 106.A O no hydrogen 2.982 N/A ASP 88.A N HIS 92.A ND1 no hydrogen 2.856 N/A SER 89.A N LEU 108.A O no hydrogen 2.664 N/A SER 90.A N ASP 88.A OD2 no hydrogen 2.711 N/A ARG 91.A N ASP 88.A OD2 no hydrogen 2.604 N/A ARG 91.A NE GLU 26.A OE2 no hydrogen 2.729 N/A ARG 91.A NH2 GLU 26.A OE2 no hydrogen 3.279 N/A HIS 92.A N ASP 88.A O no hydrogen 3.300 N/A HIS 92.A NE2 ARG 69.A O no hydrogen 2.858 N/A ILE 95.A N.A HIS 92.A O no hydrogen 3.260 N/A ILE 95.A N.B HIS 92.A O no hydrogen 3.286 N/A LEU 99.A N ILE 95.A O.A no hydrogen 2.854 N/A LEU 99.A N ILE 95.A O.B no hydrogen 2.869 N/A ASN 100.A N ASN 96.A O no hydrogen 3.171 N/A ASN 100.A ND2 ALA 103.A O no hydrogen 3.619 N/A LYS 101.A N LYS 97.A O no hydrogen 3.225 N/A ALA 103.A N LEU 99.A O no hydrogen 2.919 N/A THR 105.A OG1 ALA 103.A O no hydrogen 2.966 N/A LEU 106.A N ILE 85.A O no hydrogen 2.991 N/A SER 107.A N ASP 8.A OD2 no hydrogen 3.176 N/A LEU 108.A N ALA 87.A O no hydrogen 2.825 N/A SER 110.A OG SER 28.A OG no hydrogen 2.675 N/A PHE 111.A N ASP 88.A OD1 no hydrogen 2.709 N/A GLY 113.A N SER 110.A O no hydrogen 3.176 N/A ASP 114.A N GLN 117.A OE1 no hydrogen 3.152 N/A TYR 115.A N GLN 182.A OE1 no hydrogen 2.795 N/A TYR 115.A OH HIS 142.A NE2 no hydrogen 2.541 N/A LYS 116.A N GLN 182.A OE1 no hydrogen 2.860 N/A GLN 117.A N ASP 114.A OD1 no hydrogen 3.132 N/A ASN 118.A N ASP 114.A O no hydrogen 3.200 N/A ASN 118.A ND2 SER 110.A O no hydrogen 3.057 N/A ASN 118.A ND2 ASP 114.A O no hydrogen 2.972 N/A ILE 119.A N TYR 115.A O no hydrogen 3.163 N/A ASN 120.A N LYS 116.A O no hydrogen 2.728 N/A SER 121.A N GLN 117.A O no hydrogen 2.772 N/A SER 121.A OG LYS 109.A O no hydrogen 2.759 N/A SER 121.A OG GLN 117.A O no hydrogen 3.199 N/A PHE 122.A N ASN 118.A O no hydrogen 3.118 N/A LYS 123.A N ILE 119.A O no hydrogen 3.160 N/A THR 124.A N ASN 120.A O no hydrogen 3.144 N/A THR 124.A OG1 ASN 120.A O no hydrogen 3.027 N/A ILE 125.A N SER 121.A O no hydrogen 3.069 N/A ALA 126.A N PHE 122.A O no hydrogen 3.061 N/A LYS 127.A N LYS 123.A O no hydrogen 3.012 N/A ALA 128.A N THR 124.A O no hydrogen 2.986 N/A LEU 129.A N ILE 125.A O no hydrogen 2.916 N/A ASN 130.A N LYS 127.A O no hydrogen 2.983 N/A LYS 131.A N ALA 126.A O no hydrogen 2.643 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.726 N/A GLY 135.A N LYS 131.A O no hydrogen 2.948 N/A GLU 136.A N GLU 132.A O no hydrogen 2.815 N/A LYS 137.A N LYS 133.A O no hydrogen 3.223 N/A ARG 138.A N.A GLU 134.A O no hydrogen 2.850 N/A ARG 138.A N.B GLU 134.A O no hydrogen 2.854 N/A ARG 138.A NH1.A ARG 138.A O.A no hydrogen 2.791 N/A ARG 138.A NH1.A GLU 277.A OE2 no hydrogen 2.975 N/A ARG 138.A NH2.A GLU 277.A OE2 no hydrogen 2.435 N/A LEU 139.A N GLY 135.A O no hydrogen 3.067 N/A ALA 140.A N GLU 136.A O no hydrogen 2.815 N/A GLU 141.A N LYS 137.A O no hydrogen 2.807 N/A HIS 142.A N ARG 138.A O.A no hydrogen 2.773 N/A HIS 142.A N ARG 138.A O.B no hydrogen 2.849 N/A HIS 142.A ND1 GLU 277.A OE2 no hydrogen 3.305 N/A HIS 142.A NE2 TYR 115.A OH no hydrogen 2.541 N/A ASP 143.A N LEU 139.A O no hydrogen 2.620 N/A LYS 144.A N ALA 140.A O no hydrogen 3.264 N/A LEU 145.A N GLU 141.A O no hydrogen 3.224 N/A ILE 146.A N HIS 142.A O no hydrogen 3.031 N/A ASN 147.A N ASP 143.A O no hydrogen 3.409 N/A ASN 147.A ND2 ASP 143.A O no hydrogen 2.838 N/A LYS 148.A N LYS 144.A O no hydrogen 2.730 N/A TYR 149.A N LEU 145.A O no hydrogen 2.711 N/A LYS 150.A N ILE 146.A O no hydrogen 2.729 N/A ASP 151.A N ASN 147.A O no hydrogen 2.994 N/A GLU 152.A N TYR 149.A O no hydrogen 2.992 N/A ILE 153.A N TYR 149.A O no hydrogen 3.059 N/A ARG 157.A NE LEU 187.A O no hydrogen 2.582 N/A ARG 157.A NH1 ILE 153.A O no hydrogen 3.279 N/A ARG 157.A NH1 PHE 155.A O no hydrogen 2.940 N/A ARG 157.A NH2 LEU 187.A O no hydrogen 2.812 N/A GLN 159.A N ASP 156.A O no hydrogen 3.499 N/A VAL 161.A N LYS 190.A O no hydrogen 3.093 N/A LEU 162.A N ARG 224.A O no hydrogen 2.783 N/A ALA 164.A N ILE 226.A O.A no hydrogen 3.150 N/A ALA 164.A N ILE 226.A O.B no hydrogen 2.883 N/A VAL 165.A N LEU 172.A O no hydrogen 2.869 N/A LEU 172.A N VAL 165.A O no hydrogen 2.799 N/A ALA 173.A N LEU 210.A O no hydrogen 2.755 N/A HIS 174.A N PRO 163.A O no hydrogen 2.918 N/A SER 178.A N PRO 175.A O no hydrogen 3.121 N/A SER 178.A OG PRO 175.A O no hydrogen 2.484 N/A GLY 181.A N SER 178.A OG no hydrogen 3.165 N/A GLN 182.A N SER 178.A O no hydrogen 3.040 N/A PHE 183.A N TYR 179.A O no hydrogen 2.955 N/A LEU 184.A N VAL 180.A O no hydrogen 2.799 N/A ASN 185.A N GLY 181.A O no hydrogen 2.776 N/A GLU 186.A N GLN 182.A O no hydrogen 2.643 N/A LEU 187.A N PHE 183.A O no hydrogen 3.083 N/A LEU 187.A N LEU 184.A O no hydrogen 3.163 N/A GLY 188.A N ASN 185.A O no hydrogen 2.854 N/A PHE 189.A N LEU 184.A O no hydrogen 2.932 N/A ASN 191.A ND2 LEU 193.A O no hydrogen 3.664 N/A ALA 192.A N VAL 161.A O no hydrogen 2.655 N/A SER 194.A OG ASP 196.A OD2 no hydrogen 2.929 N/A ASP 196.A N SER 194.A O no hydrogen 2.582 N/A VAL 197.A N SER 194.A O no hydrogen 3.119 N/A THR 198.A N SER 194.A O no hydrogen 3.495 N/A LYS 199.A N ASP 196.A O no hydrogen 3.351 N/A TYR 204.A N TYR 209.A O no hydrogen 2.813 N/A GLY 207.A N TYR 204.A O no hydrogen 2.985 N/A TYR 209.A N GLY 207.A O no hydrogen 2.694 N/A TYR 209.A OH PHE 111.A O no hydrogen 2.423 N/A LEU 210.A N ALA 173.A O no hydrogen 2.927 N/A GLN 211.A NE2.B GLY 170.A O no hydrogen 2.653 N/A LEU 212.A N LEU 171.A O no hydrogen 2.950 N/A HIS 216.A N ASP 213.A OD2 no hydrogen 2.134 N/A LEU 217.A N ASP 213.A O no hydrogen 3.183 N/A ALA 218.A N THR 214.A O no hydrogen 3.137 N/A ASP 219.A N GLU 215.A O no hydrogen 3.099 N/A LEU 220.A N HIS 216.A O no hydrogen 3.250 N/A ASN 221.A N LEU 217.A O no hydrogen 2.985 N/A ARG 224.A N LYS 160.A O no hydrogen 2.871 N/A ARG 224.A NH1 ASP 260.A OD2 no hydrogen 3.566 N/A MET 225.A N ARG 258.A O no hydrogen 3.024 N/A ILE 226.A N.A LEU 162.A O no hydrogen 3.009 N/A ILE 226.A N.B LEU 162.A O no hydrogen 3.008 N/A ILE 227.A N ASP 260.A O no hydrogen 2.984 N/A MET 228.A N ALA 164.A O no hydrogen 2.930 N/A THR 229.A N VAL 262.A O no hydrogen 2.898 N/A HIS 231.A N THR 229.A OG1 no hydrogen 3.252 N/A LYS 234.A N HIS 231.A O no hydrogen 2.683 N/A LYS 234.A NZ ALA 232.A O no hydrogen 3.000 N/A SER 236.A N ASP 235.A OD1 no hydrogen 2.806 N/A GLU 238.A N SER 236.A OG no hydrogen 3.136 N/A PHE 239.A N SER 236.A OG no hydrogen 3.413 N/A LYS 240.A N SER 236.A O no hydrogen 3.145 N/A LYS 241.A NZ LYS 241.A O no hydrogen 2.782 N/A GLN 243.A N PHE 239.A O no hydrogen 3.028 N/A GLU 244.A N LYS 240.A O no hydrogen 3.239 N/A ASP 245.A N LYS 241.A O no hydrogen 3.255 N/A THR 247.A N ASP 245.A OD1 no hydrogen 3.187 N/A TRP 248.A N ASP 245.A O no hydrogen 3.112 N/A LYS 249.A N ASP 245.A O no hydrogen 3.290 N/A LEU 251.A N TRP 248.A O no hydrogen 3.150 N/A ASN 252.A N ASN 221.A OD1 no hydrogen 2.501 N/A ALA 253.A N PRO 222.A O no hydrogen 3.190 N/A LYS 255.A N LEU 251.A O no hydrogen 3.090 N/A ASN 256.A N ASN 252.A O no hydrogen 2.868 N/A ASN 256.A ND2 ASN 252.A OD1 no hydrogen 3.031 N/A ARG 258.A N ALA 253.A O no hydrogen 2.837 N/A ARG 258.A NE GLU 223.A O no hydrogen 3.157 N/A ASP 260.A N MET 225.A O no hydrogen 3.027 N/A VAL 262.A N ILE 227.A O no hydrogen 2.961 N/A ARG 264.A N THR 229.A O no hydrogen 2.992 N/A TRP 267.A N ASP 263.A O no hydrogen 2.761 N/A TRP 267.A NE1 GLU 282.A OE1 no hydrogen 2.897 N/A ALA 268.A N ARG 264.A O no hydrogen 2.789 N/A ARG 269.A N ARG 264.A O no hydrogen 3.100 N/A ARG 269.A NH1 ASP 230.A OD1 no hydrogen 2.768 N/A ARG 269.A NH1 ASP 230.A OD2 no hydrogen 2.913 N/A ARG 269.A NH1 ASP 265.A OD1 no hydrogen 2.513 N/A ARG 269.A NH2 ASP 230.A OD2 no hydrogen 2.807 N/A SER 270.A N ASP 265.A O no hydrogen 2.989 N/A SER 270.A OG ASP 265.A O no hydrogen 3.065 N/A ARG 271.A NH1 ALA 268.A O no hydrogen 3.113 N/A GLY 272.A N SER 275.A OG no hydrogen 2.940 N/A LEU 273.A N ASP 31.A OD2 no hydrogen 2.935 N/A ILE 274.A N ASP 31.A OD1 no hydrogen 3.331 N/A SER 275.A OG GLY 272.A O no hydrogen 3.355 N/A SER 276.A N GLY 272.A O no hydrogen 3.170 N/A SER 276.A OG GLY 272.A O no hydrogen 2.673 N/A SER 276.A OG LEU 273.A O no hydrogen 2.820 N/A GLU 277.A N LEU 273.A O no hydrogen 3.009 N/A GLU 278.A N ILE 274.A O no hydrogen 3.013 N/A GLU 278.A N SER 275.A O no hydrogen 3.154 N/A MET 279.A N SER 275.A O no hydrogen 2.952 N/A ALA 280.A N SER 276.A O no hydrogen 2.967 N/A LYS 281.A N GLU 277.A O no hydrogen 3.283 N/A GLU 282.A N GLU 278.A O no hydrogen 2.882 N/A LEU 283.A N MET 279.A O no hydrogen 3.114 N/A VAL 284.A N ALA 280.A O no hydrogen 3.197 N/A GLU 285.A N LYS 281.A O no hydrogen 2.904 N/A LEU 286.A N GLU 282.A O no hydrogen 2.557 N/A SER 287.A N LEU 283.A O no hydrogen 3.088 N/A SER 287.A OG LEU 283.A O no hydrogen 3.422 N/A SER 287.A OG VAL 284.A O no hydrogen 2.406 N/A LYS 288.A N VAL 284.A O no hydrogen 3.286 N/A LYS 288.A NZ GLU 285.A O no hydrogen 3.354 N/A