Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u0x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLN 55.A O no hydrogen 2.944 N/A ALA 1.A N ASP 143.A OD1 no hydrogen 3.317 N/A ALA 1.A N ASP 143.A OD2 no hydrogen 2.881 N/A GLY 3.A N GLN 55.A OE1 no hydrogen 2.942 N/A THR 21.A N LYS 18.A O no hydrogen 3.030 N/A ARG 24.A NE ASP 26.A OD1 no hydrogen 2.871 N/A ARG 24.A NH1 ASP 26.A OD1 no hydrogen 3.315 N/A ARG 24.A NH1 ASP 26.A OD2 no hydrogen 2.918 N/A ARG 24.A NH1 VAL 273.A O no hydrogen 3.060 N/A ARG 24.A NH2 GLU 40.A O no hydrogen 2.969 N/A THR 31.A N ALA 35.A O no hydrogen 2.743 N/A THR 31.A OG1 ALA 35.A O no hydrogen 3.453 N/A TRP 33.A N THR 31.A OG1 no hydrogen 3.260 N/A TRP 33.A NE1 PRO 253.A O no hydrogen 2.822 N/A LEU 34.A N THR 31.A O no hydrogen 2.845 N/A ALA 35.A N THR 31.A OG1 no hydrogen 2.959 N/A ILE 37.A N VAL 29.A O no hydrogen 2.925 N/A VAL 38.A N VAL 256.A O no hydrogen 2.813 N/A TRP 39.A NE1 LEU 28.A O no hydrogen 3.014 N/A GLU 40.A N GLU 260.A OE1 no hydrogen 3.237 N/A GLU 40.A N GLU 260.A OE2 no hydrogen 2.716 N/A THR 42.A N TRP 39.A O no hydrogen 3.067 N/A THR 42.A OG1 TRP 39.A O no hydrogen 2.750 N/A ILE 47.A N ASN 44.A OD1 no hydrogen 3.126 N/A LEU 48.A N ASN 44.A O no hydrogen 3.371 N/A ASN 49.A N ILE 45.A O no hydrogen 2.761 N/A GLU 50.A N ASP 46.A O no hydrogen 3.135 N/A GLN 51.A N ILE 47.A O no hydrogen 2.983 N/A PHE 52.A N LEU 48.A O no hydrogen 3.038 N/A ARG 53.A N ASN 49.A O no hydrogen 2.795 N/A ARG 53.A NH1.B GLU 50.A OE1 no hydrogen 3.095 N/A LEU 54.A N GLU 50.A O no hydrogen 3.038 N/A GLN 55.A N PHE 52.A O no hydrogen 3.140 N/A GLN 55.A NE2 GLN 51.A O no hydrogen 3.192 N/A ASN 56.A N ARG 53.A O no hydrogen 2.845 N/A THR 57.A N PHE 52.A O no hydrogen 3.227 N/A THR 57.A OG1 PHE 52.A O no hydrogen 2.725 N/A THR 58.A N ASP 143.A OD2 no hydrogen 2.845 N/A ILE 59.A N ARG 89.A O no hydrogen 2.855 N/A GLY 60.A N TYR 144.A O no hydrogen 2.848 N/A LEU 61.A N HIS 91.A O no hydrogen 2.927 N/A THR 62.A N VAL 146.A O no hydrogen 2.883 N/A VAL 63.A N TYR 93.A O no hydrogen 3.114 N/A ALA 65.A N PHE 95.A O no hydrogen 2.780 N/A LYS 67.A N ASP 97.A OD1 no hydrogen 3.027 N/A TYR 69.A N ILE 66.A O no hydrogen 2.990 N/A VAL 70.A N LYS 67.A O no hydrogen 3.315 N/A ALA 71.A N LYS 68.A O no hydrogen 3.146 N/A PHE 72.A N TYR 69.A O no hydrogen 3.119 N/A LEU 73.A N VAL 70.A O no hydrogen 3.135 N/A PHE 76.A N PHE 72.A O no hydrogen 3.093 N/A LEU 77.A N LEU 73.A O no hydrogen 2.853 N/A GLU 78.A N LYS 74.A O no hydrogen 2.869 N/A THR 79.A N LEU 75.A O no hydrogen 2.990 N/A THR 79.A OG1 LEU 75.A O no hydrogen 2.841 N/A THR 79.A OG1 PHE 76.A O no hydrogen 3.181 N/A ALA 80.A N PHE 76.A O no hydrogen 2.906 N/A GLU 81.A N LEU 77.A O no hydrogen 3.000 N/A LYS 82.A N THR 79.A O no hydrogen 2.980 N/A HIS 83.A N THR 79.A O no hydrogen 2.994 N/A HIS 83.A N ALA 80.A O no hydrogen 3.350 N/A PHE 84.A N ALA 80.A O no hydrogen 2.828 N/A MET 85.A N VAL 158.A O no hydrogen 2.854 N/A HIS 88.A N MET 85.A O no hydrogen 3.035 N/A HIS 88.A NE2 ASN 49.A OD1 no hydrogen 2.832 N/A ARG 89.A NE ASN 56.A OD1 no hydrogen 3.133 N/A VAL 90.A N GLY 110.A O no hydrogen 3.112 N/A HIS 91.A N ILE 59.A O no hydrogen 2.851 N/A HIS 91.A NE2 SER 114.A OG no hydrogen 2.616 N/A TYR 92.A N GLN 112.A O no hydrogen 2.739 N/A TYR 92.A OH GLU 81.A OE2 no hydrogen 2.621 N/A TYR 93.A N LEU 61.A O no hydrogen 2.800 N/A TYR 93.A OH GLU 141.A OE1 no hydrogen 2.545 N/A VAL 94.A N SER 114.A O no hydrogen 2.937 N/A PHE 95.A N VAL 63.A O no hydrogen 2.897 N/A THR 96.A N LEU 116.A O no hydrogen 2.955 N/A THR 96.A OG1 ALA 65.A O no hydrogen 2.772 N/A GLN 98.A N THR 96.A OG1 no hydrogen 2.991 N/A GLN 98.A NE2 LYS 67.A O no hydrogen 2.758 N/A GLN 98.A NE2 ASP 97.A OD1 no hydrogen 3.048 N/A ALA 101.A N GLN 98.A O no hydrogen 2.851 N/A VAL 102.A N PRO 99.A O no hydrogen 3.236 N/A GLY 108.A N GLU 81.A OE1 no hydrogen 2.840 N/A ARG 111.A N GLY 108.A O no hydrogen 3.141 N/A ARG 111.A NE GLU 81.A OE2 no hydrogen 2.645 N/A ARG 111.A NH1 PHE 84.A O no hydrogen 3.001 N/A ARG 111.A NH1 MET 85.A O no hydrogen 3.268 N/A ARG 111.A NH2 PHE 84.A O no hydrogen 2.808 N/A ARG 111.A NH2 TYR 92.A OH no hydrogen 2.854 N/A GLN 112.A N VAL 90.A O no hydrogen 2.907 N/A SER 114.A N TYR 92.A O no hydrogen 2.785 N/A SER 114.A OG HIS 91.A NE2 no hydrogen 2.616 N/A LEU 116.A N VAL 94.A O no hydrogen 2.780 N/A VAL 118.A N THR 96.A O no hydrogen 3.001 N/A GLN 120.A NE2 GLU 128.A OE1 no hydrogen 2.596 N/A SER 123.A OG ASP 121.A OD2 no hydrogen 2.789 N/A MET 124.A N ASP 121.A OD2 no hydrogen 3.316 N/A ARG 125.A N ASP 121.A O no hydrogen 3.185 N/A ARG 125.A NH2 GLN 120.A O no hydrogen 3.544 N/A ARG 126.A N VAL 122.A O no hydrogen 2.859 N/A MET 127.A N SER 123.A O no hydrogen 3.245 N/A GLU 128.A N MET 124.A O no hydrogen 2.895 N/A MET 129.A N ARG 125.A O no hydrogen 2.712 N/A ILE 130.A N ARG 126.A O no hydrogen 3.004 N/A SER 131.A N MET 127.A O no hydrogen 3.064 N/A ASP 132.A N GLU 128.A O no hydrogen 2.844 N/A PHE 133.A N MET 129.A O no hydrogen 2.926 N/A CYS 134.A N ILE 130.A O no hydrogen 2.921 N/A CYS 134.A SG ILE 130.A O no hydrogen 3.225 N/A CYS 134.A SG VAL 212.A O no hydrogen 4.025 N/A GLU 135.A N SER 131.A O no hydrogen 3.460 N/A ARG 136.A N ASP 132.A O no hydrogen 2.991 N/A ARG 137.A N PHE 133.A O no hydrogen 2.827 N/A ARG 137.A NE GLU 141.A OE1 no hydrogen 3.329 N/A ARG 137.A NE GLU 141.A OE2 no hydrogen 3.004 N/A ARG 137.A NH2 GLU 141.A OE1 no hydrogen 3.166 N/A ARG 137.A NH2 GLU 141.A OE2 no hydrogen 3.164 N/A PHE 138.A N PHE 133.A O no hydrogen 2.892 N/A LEU 139.A N CYS 134.A O no hydrogen 2.993 N/A SER 140.A N ARG 137.A O no hydrogen 3.110 N/A SER 140.A OG ARG 137.A O no hydrogen 3.124 N/A GLU 141.A N ARG 137.A O no hydrogen 3.157 N/A GLU 141.A N PHE 138.A O no hydrogen 3.048 N/A VAL 142.A N PHE 138.A O no hydrogen 3.051 N/A ASP 143.A N THR 58.A O no hydrogen 2.910 N/A TYR 144.A N THR 58.A O no hydrogen 3.346 N/A LEU 145.A N GLY 210.A O no hydrogen 2.792 N/A VAL 146.A N GLY 60.A O no hydrogen 2.823 N/A CYS 147.A N PHE 208.A O no hydrogen 2.843 N/A CYS 147.A SG THR 62.A OG1 no hydrogen 3.397 N/A VAL 148.A N THR 62.A O no hydrogen 3.184 N/A ASP 149.A N ALA 206.A O no hydrogen 3.300 N/A MET 152.A N VAL 150.A O no hydrogen 2.793 N/A GLU 153.A N THR 280.A O no hydrogen 2.893 N/A PHE 154.A N THR 79.A OG1 no hydrogen 3.047 N/A ARG 155.A N ARG 278.A O no hydrogen 2.739 N/A ARG 155.A NH1 GLU 153.A OE1 no hydrogen 3.265 N/A ASP 156.A N ARG 278.A O no hydrogen 3.135 N/A HIS 157.A N ASP 156.A OD1 no hydrogen 2.700 N/A HIS 157.A NE2 GLU 161.A OE1 no hydrogen 2.661 N/A VAL 158.A N HIS 83.A O no hydrogen 2.956 N/A GLY 159.A N GLU 161.A OE2 no hydrogen 2.903 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.844 N/A ILE 162.A N GLY 159.A O no hydrogen 3.134 N/A LEU 163.A N VAL 160.A O no hydrogen 2.988 N/A THR 164.A OG1 THR 254.A OG1 no hydrogen 2.590 N/A LEU 166.A N THR 254.A OG1 no hydrogen 2.989 N/A PHE 167.A N GLY 209.A O no hydrogen 2.921 N/A THR 169.A OG1 PHE 207.A O no hydrogen 2.974 N/A LEU 170.A N LEU 257.A O no hydrogen 2.841 N/A HIS 171.A N TYR 202.A O no hydrogen 2.952 N/A SER 173.A N HIS 171.A ND1 no hydrogen 2.969 N/A PHE 174.A N HIS 171.A O no hydrogen 3.196 N/A SER 177.A N PHE 174.A O no hydrogen 2.880 N/A SER 178.A OG.B GLU 180.A OE2 no hydrogen 3.312 N/A ARG 179.A NE GLY 199.A O no hydrogen 2.914 N/A ARG 179.A NH2 GLY 199.A O no hydrogen 2.965 N/A GLU 180.A N GLU 180.A OE2 no hydrogen 2.803 N/A ALA 181.A N SER 178.A O no hydrogen 2.903 N/A PHE 182.A N ARG 179.A O no hydrogen 3.028 N/A THR 183.A OG1 TYR 202.A OH no hydrogen 3.402 N/A TYR 184.A OH PHE 201.A O no hydrogen 2.720 N/A ARG 186.A NH1 ILE 194.A O no hydrogen 2.815 N/A ARG 186.A NH2 ARG 179.A O no hydrogen 2.969 N/A ARG 186.A NH2 PHE 182.A O no hydrogen 2.956 N/A ARG 187.A N GLU 185.A OE1 no hydrogen 2.827 N/A ARG 187.A NE GLU 185.A OE1 no hydrogen 2.726 N/A ARG 187.A NH2 GLU 185.A OE2 no hydrogen 2.937 N/A ARG 187.A NH2 GLU 235.A O no hydrogen 2.746 N/A SER 190.A N ARG 187.A O no hydrogen 3.002 N/A SER 190.A OG ASP 229.A OD1 no hydrogen 2.690 N/A GLN 191.A N ASP 229.A OD2 no hydrogen 2.810 N/A ALA 192.A N SER 190.A OG no hydrogen 3.034 N/A TYR 193.A N SER 190.A O no hydrogen 3.139 N/A ILE 194.A N GLU 185.A O no hydrogen 3.030 N/A LYS 196.A NZ GLU 180.A O no hydrogen 2.667 N/A GLU 198.A N PRO 195.A O no hydrogen 3.111 N/A TYR 202.A OH GLU 241.A OE1 no hydrogen 2.622 N/A TYR 203.A N ASN 245.A OD1 no hydrogen 2.787 N/A MET 204.A N THR 169.A O no hydrogen 2.920 N/A GLY 205.A N GLU 241.A OE2 no hydrogen 2.835 N/A PHE 208.A N CYS 147.A O no hydrogen 3.210 N/A GLY 209.A N PHE 167.A O no hydrogen 3.250 N/A GLY 210.A N LEU 145.A O no hydrogen 3.004 N/A SER 211.A N PRO 165.A O no hydrogen 2.903 N/A VAL 212.A N ASP 143.A O no hydrogen 3.430 N/A GLU 214.A N SER 211.A OG no hydrogen 3.179 N/A VAL 215.A N SER 211.A O no hydrogen 2.984 N/A GLN 216.A N VAL 212.A O no hydrogen 2.838 N/A ARG 217.A N GLN 213.A O no hydrogen 3.030 N/A ARG 217.A NH1 GLU 214.A OE2 no hydrogen 3.051 N/A LEU 218.A N GLU 214.A O no hydrogen 2.962 N/A THR 219.A N VAL 215.A O no hydrogen 2.912 N/A THR 219.A OG1 VAL 215.A O no hydrogen 2.833 N/A THR 219.A OG1 GLN 216.A O no hydrogen 3.241 N/A ARG 220.A N GLN 216.A O no hydrogen 2.924 N/A ALA 221.A N ARG 217.A O no hydrogen 2.933 N/A CYS 222.A N LEU 218.A O no hydrogen 2.913 N/A CYS 222.A SG LEU 218.A O no hydrogen 3.387 N/A HIS 223.A N THR 219.A O no hydrogen 2.926 N/A GLN 224.A N ARG 220.A O no hydrogen 2.865 N/A ALA 225.A N ALA 221.A O no hydrogen 2.949 N/A MET 226.A N CYS 222.A O no hydrogen 2.906 N/A MET 227.A N HIS 223.A O no hydrogen 2.969 N/A VAL 228.A N GLN 224.A O no hydrogen 3.123 N/A ASP 229.A N ALA 225.A O no hydrogen 3.004 N/A GLN 230.A N MET 226.A O no hydrogen 2.771 N/A GLN 230.A NE2 TRP 119.A O no hydrogen 3.142 N/A ALA 231.A N MET 227.A O no hydrogen 3.063 N/A ASN 232.A N VAL 228.A O no hydrogen 3.348 N/A ASN 232.A ND2 VAL 228.A O no hydrogen 3.122 N/A GLY 233.A N GLN 230.A O no hydrogen 2.912 N/A ILE 234.A N ASP 229.A O no hydrogen 2.895 N/A VAL 237.A N GLU 185.A OE2 no hydrogen 2.823 N/A TRP 238.A N SER 242.A OG no hydrogen 2.849 N/A HIS 239.A N ALA 236.A O no hydrogen 2.888 N/A GLU 241.A N TRP 238.A O no hydrogen 3.048 N/A SER 242.A N TRP 238.A O no hydrogen 3.449 N/A SER 242.A N HIS 239.A O no hydrogen 3.052 N/A HIS 243.A N HIS 239.A O no hydrogen 3.422 N/A LEU 244.A N ASP 240.A O no hydrogen 2.784 N/A ASN 245.A N GLU 241.A O no hydrogen 2.987 N/A ASN 245.A ND2 TYR 203.A O no hydrogen 2.941 N/A ASN 245.A ND2 GLU 241.A O no hydrogen 2.907 N/A LYS 246.A N SER 242.A O no hydrogen 3.177 N/A LYS 246.A NZ GLN 191.A O no hydrogen 3.072 N/A LYS 246.A NZ TYR 193.A O no hydrogen 2.726 N/A TYR 247.A N HIS 243.A O no hydrogen 2.938 N/A LEU 248.A N LEU 244.A O no hydrogen 2.937 N/A LEU 249.A N ASN 245.A O no hydrogen 2.987 N/A LEU 249.A N LYS 246.A O no hydrogen 3.247 N/A ARG 250.A N LYS 246.A O no hydrogen 3.272 N/A HIS 251.A N TYR 247.A O no hydrogen 2.766 N/A HIS 251.A ND1 TYR 247.A O no hydrogen 2.874 N/A LYS 252.A NZ ASP 200.A OD2 no hydrogen 2.786 N/A LYS 252.A NZ LEU 249.A O no hydrogen 2.907 N/A THR 254.A N LEU 166.A O no hydrogen 2.648 N/A THR 254.A OG1 THR 164.A OG1 no hydrogen 2.590 N/A THR 254.A OG1 LEU 166.A O no hydrogen 3.093 N/A LYS 255.A N LEU 166.A O no hydrogen 3.320 N/A LYS 255.A NZ GLU 161.A O no hydrogen 2.807 N/A LYS 255.A NZ LEU 163.A O no hydrogen 2.725 N/A VAL 256.A N PRO 36.A O no hydrogen 2.915 N/A LEU 257.A N GLY 168.A O no hydrogen 2.905 N/A SER 258.A N VAL 38.A O no hydrogen 3.191 N/A SER 258.A OG VAL 38.A O no hydrogen 2.770 N/A TYR 261.A N SER 258.A O no hydrogen 3.028 N/A TYR 261.A OH GLU 161.A OE2 no hydrogen 2.701 N/A LEU 262.A N PRO 259.A O no hydrogen 3.167 N/A TRP 263.A N PHE 279.A O no hydrogen 3.080 N/A TRP 263.A NE1 GLY 269.A O no hydrogen 2.801 N/A LEU 267.A N ASP 264.A O no hydrogen 3.242 N/A LEU 267.A N ASP 264.A OD1 no hydrogen 3.422 N/A LEU 268.A N ASP 264.A O no hydrogen 3.014 N/A GLY 269.A N GLN 265.A O no hydrogen 2.779 N/A TRP 270.A NE1 LEU 274.A O no hydrogen 2.855 N/A LEU 274.A N PRO 271.A O no hydrogen 3.056 N/A LYS 276.A NZ ASP 156.A OD1 no hydrogen 3.007 N/A ARG 278.A N GLU 260.A O no hydrogen 2.872 N/A ARG 278.A NE GLU 260.A OE1 no hydrogen 2.790 N/A ARG 278.A NH1 HIS 157.A O no hydrogen 2.893 N/A ARG 278.A NH2 GLU 40.A OE1 no hydrogen 2.790 N/A ARG 278.A NH2 GLU 260.A OE1 no hydrogen 2.897 N/A THR 280.A N GLU 153.A O no hydrogen 2.960 N/A ALA 281.A N TRP 263.A O no hydrogen 3.036 N/A VAL 282.A N ASP 151.A O no hydrogen 3.025 N/A HIS 286.A N PRO 283.A O no hydrogen 3.127 N/A GLN 287.A N GLN 287.A OE1 no hydrogen 2.738 N/A ALA 288.A N HIS 286.A ND1 no hydrogen 2.971 N/A VAL 289.A N HIS 286.A O no hydrogen 2.872 N/A