Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iwx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 3.A N HIS 29.A ND1 no hydrogen 3.049 N/A LYS 4.A N ASP 61.A OD2 no hydrogen 2.726 N/A ILE 5.A N LEU 30.A O no hydrogen 2.857 N/A ALA 6.A N ALA 62.A O no hydrogen 3.009 N/A ILE 7.A N GLU 32.A O no hydrogen 2.952 N/A LEU 8.A N ILE 64.A O no hydrogen 2.848 N/A SER 9.A N LEU 34.A O no hydrogen 3.041 N/A SER 9.A OG ASP 11.A O no hydrogen 3.502 N/A SER 16.A N THR 13.A O no hydrogen 2.675 N/A SER 16.A OG ASP 11.A O no hydrogen 3.304 N/A CYS 17.A N THR 13.A O no hydrogen 2.956 N/A CYS 17.A SG THR 13.A O no hydrogen 3.922 N/A LYS 18.A N LEU 14.A O no hydrogen 2.667 N/A LYS 18.A NZ GLU 273.A OE1 no hydrogen 2.880 N/A LYS 18.A NZ GLU 273.A OE2 no hydrogen 3.068 N/A LYS 18.A NZ ASP 279.A OD1 no hydrogen 3.519 N/A LEU 20.A N SER 16.A O no hydrogen 3.334 N/A ARG 21.A N CYS 17.A O no hydrogen 2.921 N/A GLU 22.A N LYS 18.A O no hydrogen 3.254 N/A ALA 23.A N ARG 19.A O no hydrogen 2.809 N/A ALA 24.A N LEU 20.A O no hydrogen 2.985 N/A ILE 25.A N ARG 21.A O no hydrogen 3.025 N/A GLN 26.A N GLU 22.A O no hydrogen 2.939 N/A HIS 29.A N ALA 23.A O no hydrogen 3.002 N/A HIS 29.A NE2 GLU 289.A OE1 no hydrogen 2.681 N/A LEU 30.A N MET 3.A O no hydrogen 2.904 N/A GLU 32.A N ILE 5.A O no hydrogen 3.075 N/A LEU 34.A N ILE 7.A O no hydrogen 2.846 N/A ASP 35.A N TYR 52.A OH no hydrogen 2.921 N/A LEU 37.A N ASP 35.A OD1 no hydrogen 3.239 N/A SER 38.A N ASP 35.A O no hydrogen 3.083 N/A CYS 39.A N PRO 36.A O no hydrogen 3.009 N/A CYS 39.A SG ASP 35.A O no hydrogen 3.559 N/A TYR 40.A N HIS 51.A O no hydrogen 2.904 N/A SER 48.A OG PRO 45.A O no hydrogen 2.959 N/A SER 49.A OG HIS 51.A NE2 no hydrogen 3.291 N/A HIS 51.A N TYR 40.A O no hydrogen 2.689 N/A TYR 52.A N ARG 55.A O no hydrogen 2.893 N/A LYS 53.A NZ TYR 52.A OH no hydrogen 3.460 N/A GLY 54.A N TYR 40.A OH no hydrogen 2.975 N/A ARG 55.A N TYR 52.A O no hydrogen 3.028 N/A ARG 55.A NH1 GLU 32.A OE2 no hydrogen 2.744 N/A ARG 55.A NH2 GLU 32.A OE2 no hydrogen 2.723 N/A LEU 57.A N ILE 50.A O no hydrogen 2.970 N/A ASP 61.A N LYS 4.A O no hydrogen 2.875 N/A VAL 63.A N TYR 88.A O no hydrogen 2.651 N/A ILE 64.A N ALA 6.A O no hydrogen 2.724 N/A ARG 66.A N LEU 8.A O no hydrogen 2.818 N/A ARG 66.A NH2 PRO 267.A O no hydrogen 2.214 N/A ILE 71.A N GLY 68.A O no hydrogen 3.202 N/A TYR 74.A OH CYS 39.A O no hydrogen 2.924 N/A GLY 75.A N ILE 71.A O no hydrogen 2.735 N/A THR 76.A N THR 72.A O no hydrogen 3.134 N/A THR 76.A OG1 THR 72.A O no hydrogen 2.421 N/A THR 76.A OG1 PHE 73.A O no hydrogen 3.063 N/A ALA 78.A N TYR 74.A O no hydrogen 3.005 N/A LEU 79.A N GLY 75.A O no hydrogen 2.868 N/A ARG 80.A N THR 76.A O no hydrogen 2.786 N/A GLN 81.A N ALA 77.A O no hydrogen 3.072 N/A GLN 81.A NE2 ASN 42.A O no hydrogen 3.433 N/A GLN 81.A NE2 ALA 47.A O no hydrogen 3.163 N/A PHE 82.A N ALA 78.A O no hydrogen 3.169 N/A GLU 83.A N LEU 79.A O no hydrogen 3.017 N/A MET 84.A N ARG 80.A O no hydrogen 2.883 N/A LEU 85.A N GLN 81.A O no hydrogen 2.980 N/A GLY 86.A N GLU 83.A O no hydrogen 2.977 N/A SER 87.A N PHE 82.A O no hydrogen 3.181 N/A SER 87.A OG PHE 60.A O no hydrogen 2.456 N/A TYR 88.A N ASP 61.A O no hydrogen 3.035 N/A LEU 90.A N VAL 63.A O no hydrogen 3.299 N/A ASN 91.A N ASP 245.A OD2 no hydrogen 3.436 N/A ASN 91.A ND2 VAL 246.A O no hydrogen 2.941 N/A SER 93.A N GLU 83.A OE2 no hydrogen 2.794 N/A SER 93.A OG GLU 83.A OE1 no hydrogen 3.063 N/A SER 93.A OG GLU 83.A OE2 no hydrogen 3.067 N/A ILE 96.A N GLU 92.A O no hydrogen 2.870 N/A ALA 97.A N SER 93.A O no hydrogen 2.800 N/A ARG 98.A N VAL 94.A O no hydrogen 2.923 N/A ARG 98.A NH2 MET 242.A O no hydrogen 3.491 N/A ALA 99.A N ALA 95.A O no hydrogen 3.030 N/A ARG 100.A N ILE 96.A O no hydrogen 3.158 N/A ARG 100.A N ALA 97.A O no hydrogen 3.057 N/A ARG 100.A NH2 GLN 149.A O no hydrogen 3.469 N/A ASP 101.A N ARG 98.A O no hydrogen 3.084 N/A LYS 102.A NZ ALA 99.A O no hydrogen 3.408 N/A LYS 102.A NZ VAL 263.A O no hydrogen 3.063 N/A ARG 104.A N ASP 101.A OD1 no hydrogen 3.087 N/A SER 105.A N ASP 101.A O no hydrogen 3.029 N/A SER 105.A OG ARG 98.A O no hydrogen 3.064 N/A SER 105.A OG ASP 101.A O no hydrogen 2.890 N/A MET 106.A N LYS 102.A O no hydrogen 2.715 N/A GLN 107.A N LEU 103.A O no hydrogen 2.982 N/A LEU 108.A N ARG 104.A O no hydrogen 2.925 N/A LEU 109.A N SER 105.A O no hydrogen 2.953 N/A ALA 110.A N MET 106.A O no hydrogen 3.050 N/A ARG 111.A N GLN 107.A O no hydrogen 2.902 N/A GLN 112.A N LEU 108.A O no hydrogen 3.036 N/A GLY 113.A N ALA 110.A O no hydrogen 3.168 N/A ILE 114.A N LEU 109.A O no hydrogen 3.093 N/A THR 119.A OG1 PRO 117.A O no hydrogen 2.881 N/A THR 119.A OG1 GLU 180.A OE2 no hydrogen 2.974 N/A GLY 120.A N GLN 179.A O no hydrogen 2.450 N/A ALA 122.A N LEU 177.A O no hydrogen 3.034 N/A HIS 123.A ND1 SER 124.A OG no hydrogen 2.839 N/A SER 124.A OG HIS 123.A ND1 no hydrogen 2.839 N/A ASP 127.A N PRO 125.A O no hydrogen 2.738 N/A ASP 130.A N ASP 127.A OD1 no hydrogen 3.030 N/A LEU 131.A N ASP 127.A O no hydrogen 3.211 N/A ILE 132.A N THR 128.A O no hydrogen 2.860 N/A ASP 133.A N SER 129.A O no hydrogen 3.044 N/A MET 134.A N ASP 130.A O no hydrogen 2.923 N/A GLY 136.A N ASP 133.A O no hydrogen 2.922 N/A LEU 140.A N ALA 156.A O no hydrogen 2.951 N/A VAL 141.A N GLU 180.A O no hydrogen 2.640 N/A VAL 142.A N VAL 154.A O no hydrogen 2.962 N/A LYS 143.A N VAL 178.A O no hydrogen 2.791 N/A LYS 143.A NZ GLU 180.A OE1 no hydrogen 2.554 N/A LEU 144.A N GLY 152.A O no hydrogen 2.899 N/A VAL 145.A N ILE 176.A O no hydrogen 3.231 N/A THR 148.A OG1 GLY 147.A O no hydrogen 2.809 N/A GLN 149.A NE2 THR 69.A O no hydrogen 3.043 N/A GLY 150.A N VAL 145.A O no hydrogen 2.829 N/A ILE 151.A N LEU 144.A O no hydrogen 3.302 N/A VAL 154.A N VAL 142.A O no hydrogen 3.118 N/A ALA 156.A N LEU 140.A O no hydrogen 2.806 N/A ARG 159.A NH1 GLU 163.A OE2 no hydrogen 3.499 N/A ALA 161.A N THR 158.A OG1 no hydrogen 3.028 N/A ALA 162.A N THR 158.A O no hydrogen 3.191 N/A GLU 163.A N ARG 159.A O no hydrogen 2.810 N/A SER 164.A N GLN 160.A O no hydrogen 2.859 N/A SER 164.A OG GLN 160.A O no hydrogen 3.007 N/A VAL 165.A N ALA 161.A O no hydrogen 2.900 N/A ILE 166.A N ALA 162.A O no hydrogen 3.138 N/A ASP 167.A N GLU 163.A O no hydrogen 2.883 N/A ALA 168.A N SER 164.A O no hydrogen 2.899 N/A PHE 169.A N VAL 165.A O no hydrogen 3.085 N/A ARG 170.A N ILE 166.A O no hydrogen 2.780 N/A ARG 170.A NH2.B ASP 126.A OD1 no hydrogen 3.188 N/A ALA 174.A N GLY 171.A O no hydrogen 3.166 N/A LEU 177.A N ALA 122.A O no hydrogen 2.820 N/A VAL 178.A N LYS 143.A O no hydrogen 3.031 N/A GLN 179.A N GLY 120.A O no hydrogen 2.898 N/A GLU 180.A N VAL 141.A O no hydrogen 3.060 N/A CYS 188.A SG ARG 205.A O no hydrogen 4.019 N/A ASP 189.A N ARG 205.A O no hydrogen 3.177 N/A ILE 190.A N ILE 251.A O no hydrogen 2.854 N/A ARG 191.A N ILE 203.A O no hydrogen 2.876 N/A CYS 192.A N VAL 249.A O no hydrogen 2.835 N/A LEU 193.A N ALA 201.A O no hydrogen 2.916 N/A VAL 194.A N ALA 247.A O no hydrogen 2.841 N/A VAL 195.A N GLU 198.A O no hydrogen 3.056 N/A GLY 196.A N ASP 245.A O no hydrogen 2.811 N/A ASP 197.A N ASP 197.A OD1 no hydrogen 2.426 N/A GLU 198.A N VAL 195.A O no hydrogen 3.336 N/A VAL 200.A N LEU 193.A O no hydrogen 2.852 N/A ILE 203.A N ARG 191.A O no hydrogen 3.056 N/A GLU 204.A N SER 223.A O no hydrogen 2.732 N/A ARG 205.A N ASP 189.A O no hydrogen 2.981 N/A ARG 205.A NH2 ASP 250.A OD2 no hydrogen 3.022 N/A ARG 206.A N ALA 221.A O no hydrogen 3.078 N/A GLY 210.A N GLU 209.A OE2 no hydrogen 2.965 N/A ARG 213.A NH2 ASP 211.A OD2 no hydrogen 3.542 N/A SER 214.A OG ASP 189.A OD1 no hydrogen 2.332 N/A ARG 218.A N ASN 215.A O no hydrogen 2.915 N/A ALA 221.A N ARG 206.A O no hydrogen 3.051 N/A SER 223.A N GLU 204.A O no hydrogen 2.997 N/A THR 228.A N GLU 231.A OE1 no hydrogen 2.956 N/A GLU 231.A N THR 228.A OG1 no hydrogen 2.995 N/A ARG 232.A N THR 228.A O no hydrogen 2.965 N/A GLU 233.A N PRO 229.A O no hydrogen 2.968 N/A ILE 234.A N GLN 230.A O no hydrogen 3.044 N/A ALA 235.A N GLU 231.A O no hydrogen 3.014 N/A ILE 236.A N ARG 232.A O no hydrogen 3.196 N/A LYS 237.A N GLU 233.A O no hydrogen 2.889 N/A ALA 238.A N ILE 234.A O no hydrogen 2.816 N/A ALA 239.A N ALA 235.A O no hydrogen 3.470 N/A ARG 240.A N ILE 236.A O no hydrogen 3.083 N/A THR 241.A N LYS 237.A O no hydrogen 2.794 N/A THR 241.A OG1 LYS 237.A O no hydrogen 2.968 N/A MET 242.A N ALA 238.A O no hydrogen 3.015 N/A ALA 243.A N ARG 240.A O no hydrogen 2.997 N/A LEU 244.A N ALA 239.A O no hydrogen 2.910 N/A VAL 246.A N ASN 91.A OD1 no hydrogen 2.849 N/A ALA 247.A N VAL 194.A O no hydrogen 3.020 N/A GLY 248.A N ASN 264.A O no hydrogen 2.696 N/A VAL 249.A N CYS 192.A O no hydrogen 2.899 N/A ASP 250.A N GLU 262.A O no hydrogen 3.006 N/A ILE 251.A N ILE 190.A O no hydrogen 2.764 N/A LEU 252.A N LEU 259.A O no hydrogen 2.791 N/A ARG 253.A NE GLU 231.A OE2 no hydrogen 2.519 N/A ARG 253.A NH2 SER 226.A O no hydrogen 3.223 N/A ARG 253.A NH2 GLU 231.A OE1 no hydrogen 2.635 N/A ARG 253.A NH2 GLU 231.A OE2 no hydrogen 3.329 N/A ALA 254.A N GLY 257.A O no hydrogen 3.005 N/A ASN 255.A N GLU 184.A OE1 no hydrogen 2.954 N/A ARG 256.A NE.B TYR 181.A OH no hydrogen 2.468 N/A ARG 256.A NH2.B LEU 116.A O no hydrogen 3.202 N/A ARG 256.A NH2.B TYR 181.A OH no hydrogen 2.734 N/A GLY 257.A N ALA 254.A O no hydrogen 2.824 N/A LEU 259.A N LEU 252.A O no hydrogen 2.821 N/A VAL 260.A N ASP 115.A O no hydrogen 3.049 N/A MET 261.A N ASP 250.A O no hydrogen 2.817 N/A ASN 264.A N GLY 248.A O no hydrogen 2.807 N/A GLU 273.A N LEU 269.A O no hydrogen 2.711 N/A LYS 274.A N GLU 270.A O no hydrogen 2.921 N/A LYS 274.A NZ GLU 270.A OE2 no hydrogen 3.102 N/A THR 275.A N GLY 271.A O no hydrogen 3.025 N/A THR 275.A OG1 GLY 271.A O no hydrogen 2.526 N/A THR 276.A N ILE 272.A O no hydrogen 3.267 N/A THR 276.A N GLU 273.A O no hydrogen 3.343 N/A THR 276.A OG1 ILE 272.A O no hydrogen 2.919 N/A GLY 277.A N GLU 273.A O no hydrogen 2.712 N/A ILE 278.A N THR 276.A OG1 no hydrogen 3.078 N/A ILE 280.A N GLU 273.A OE1 no hydrogen 3.080 N/A ILE 280.A N ILE 278.A O no hydrogen 3.085 N/A ALA 281.A N GLU 273.A OE1 no hydrogen 3.265 N/A GLY 282.A N ASP 279.A OD1 no hydrogen 3.097 N/A LYS 283.A N ASP 279.A O no hydrogen 3.317 N/A LYS 283.A NZ GLU 198.A OE2 no hydrogen 2.864 N/A MET 284.A N ILE 280.A O no hydrogen 3.088 N/A MET 284.A N ALA 281.A O no hydrogen 3.270 N/A ILE 285.A N ALA 281.A O no hydrogen 3.159 N/A ARG 286.A N GLY 282.A O no hydrogen 2.864 N/A TRP 287.A N LYS 283.A O no hydrogen 3.029 N/A ILE 288.A N MET 284.A O no hydrogen 3.064 N/A GLU 289.A N ILE 285.A O no hydrogen 2.897 N/A ARG 290.A N ARG 286.A O no hydrogen 3.054 N/A HIS 291.A N ILE 288.A O no hydrogen 2.915 N/A HIS 291.A ND1 TRP 287.A O no hydrogen 2.721 N/A ALA 292.A N ILE 288.A O no hydrogen 2.773 N/A