Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mxc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 1.A N HIS 1.A ND1 no hydrogen 2.732 N/A HIS 1.A N SER 98.A O no hydrogen 3.307 N/A SER 5.A N ASP 3.A OD1 no hydrogen 3.175 N/A SER 5.A OG ASP 3.A OD1 no hydrogen 2.569 N/A ALA 6.A N ASP 3.A O no hydrogen 3.097 N/A LEU 7.A N LEU 4.A O no hydrogen 3.177 N/A GLU 10.A N ASN 8.A OD1 no hydrogen 3.243 N/A VAL 12.A N ASN 8.A O no hydrogen 3.047 N/A GLN 13.A N PRO 9.A O no hydrogen 2.908 N/A ALA 14.A N GLU 10.A O no hydrogen 3.085 N/A VAL 15.A N LEU 11.A O no hydrogen 2.963 N/A GLN 16.A N VAL 12.A O no hydrogen 2.984 N/A HIS 17.A N ALA 14.A O no hydrogen 3.250 N/A VAL 18.A N VAL 15.A O no hydrogen 2.971 N/A ILE 20.A N ILE 94.A O no hydrogen 2.858 N/A SER 24.A N GLY 21.A O no hydrogen 2.899 N/A LEU 25.A N PRO 22.A O no hydrogen 3.383 N/A ILE 26.A N THR 45.A O no hydrogen 2.848 N/A HIS 28.A N HIS 43.A O no hydrogen 2.891 N/A HIS 28.A NE2 THR 45.A OG1 no hydrogen 2.800 N/A GLU 31.A N HIS 28.A O no hydrogen 2.893 N/A ILE 33.A N VAL 41.A O no hydrogen 2.700 N/A GLY 34.A N VAL 41.A O no hydrogen 3.283 N/A ARG 35.A NH1 TYR 42.A OH no hydrogen 3.308 N/A GLY 36.A N GLY 39.A O no hydrogen 2.755 N/A HIS 37.A N ASP 177.A OD2 no hydrogen 2.497 N/A CYS 40.A N SER 60.A O no hydrogen 2.954 N/A CYS 40.A SG.A TYR 42.A OH no hydrogen 3.359 N/A CYS 40.A SG.A ASN 62.A OD1 no hydrogen 3.466 N/A CYS 40.A SG.B GLY 34.A O no hydrogen 3.091 N/A CYS 40.A SG.B VAL 41.A O no hydrogen 3.909 N/A VAL 41.A N GLY 34.A O no hydrogen 2.915 N/A TYR 42.A N VAL 58.A O no hydrogen 2.817 N/A HIS 43.A N GLU 31.A O no hydrogen 2.916 N/A HIS 43.A ND1 HIS 55.A NE2 no hydrogen 2.902 N/A GLY 44.A N CYS 56.A O no hydrogen 2.882 N/A THR 45.A N ILE 26.A O no hydrogen 2.836 N/A THR 45.A OG1 HIS 28.A NE2 no hydrogen 2.800 N/A LEU 46.A N ILE 54.A O no hydrogen 2.820 N/A LEU 47.A N SER 24.A O no hydrogen 2.798 N/A ASP 48.A N LYS 52.A O no hydrogen 3.019 N/A ASP 50.A N ASP 48.A OD1 no hydrogen 3.145 N/A GLY 51.A N ASP 48.A O no hydrogen 2.883 N/A LYS 52.A N ASP 48.A OD1 no hydrogen 2.848 N/A ILE 54.A N LEU 46.A O no hydrogen 2.830 N/A HIS 55.A NE2 HIS 43.A ND1 no hydrogen 2.902 N/A CYS 56.A N GLY 44.A O no hydrogen 2.941 N/A ALA 57.A N LEU 106.A O no hydrogen 2.872 N/A VAL 58.A N TYR 42.A O no hydrogen 2.764 N/A LYS 59.A N VAL 104.A O no hydrogen 2.820 N/A LYS 59.A NZ GLU 76.A OE1 no hydrogen 3.515 N/A LYS 59.A NZ PHE 172.A O no hydrogen 2.676 N/A SER 60.A N CYS 40.A O no hydrogen 2.867 N/A SER 60.A OG LEU 61.A O no hydrogen 2.904 N/A LEU 61.A N SER 101.A OG no hydrogen 2.917 N/A ASN 62.A N PHE 38.A O no hydrogen 2.840 N/A ASN 62.A ND2 GLY 36.A O no hydrogen 2.838 N/A ASN 62.A ND2 HIS 37.A O no hydrogen 3.027 N/A ASN 62.A ND2 GLY 39.A O no hydrogen 3.564 N/A ARG 63.A NH1 THR 65.A OG1 no hydrogen 3.307 N/A ARG 63.A NH2 GLU 69.A OE2 no hydrogen 2.794 N/A GLU 69.A N ASP 66.A OD2 no hydrogen 2.861 N/A VAL 70.A N ASP 66.A O no hydrogen 3.063 N/A SER 71.A N ILE 67.A O no hydrogen 2.828 N/A SER 71.A OG.B ILE 67.A O no hydrogen 2.888 N/A GLN 72.A N GLY 68.A O no hydrogen 2.874 N/A PHE 73.A N GLU 69.A O no hydrogen 2.934 N/A LEU 74.A N VAL 70.A O no hydrogen 3.023 N/A THR 75.A N SER 71.A O no hydrogen 2.932 N/A THR 75.A OG1 SER 71.A O no hydrogen 2.732 N/A GLU 76.A N GLN 72.A O no hydrogen 2.886 N/A GLY 77.A N PHE 73.A O no hydrogen 3.397 N/A ILE 78.A N LEU 74.A O no hydrogen 2.953 N/A ILE 79.A N THR 75.A O no hydrogen 2.912 N/A MET 80.A N GLY 77.A O no hydrogen 3.124 N/A LYS 81.A N ILE 78.A O no hydrogen 3.025 N/A LYS 81.A NZ ALA 14.A O no hydrogen 2.742 N/A ASP 82.A N ILE 79.A O no hydrogen 3.308 N/A PHE 83.A N MET 80.A O no hydrogen 3.065 N/A SER 84.A N TYR 143.A OH no hydrogen 2.869 N/A ASN 87.A N HIS 85.A ND1 no hydrogen 2.882 N/A ASN 87.A ND2 GLN 136.A OE1 no hydrogen 3.000 N/A ASN 87.A ND2 VAL 167.A O no hydrogen 2.985 N/A VAL 88.A N HIS 85.A O no hydrogen 3.067 N/A LEU 89.A N VAL 169.A O no hydrogen 2.920 N/A LEU 92.A N VAL 105.A O no hydrogen 2.877 N/A GLY 93.A N VAL 105.A O no hydrogen 3.382 N/A ILE 94.A N VAL 18.A O no hydrogen 2.933 N/A CYS 95.A N LEU 103.A O no hydrogen 2.817 N/A CYS 95.A SG ILE 20.A O no hydrogen 3.535 N/A ARG 97.A NE SER 101.A O no hydrogen 3.060 N/A ARG 97.A NH2 SER 101.A O no hydrogen 2.856 N/A GLY 100.A N HIS 1.A ND1 no hydrogen 3.307 N/A SER 101.A OG PRO 102.A O no hydrogen 2.665 N/A LEU 103.A N CYS 95.A O no hydrogen 2.896 N/A VAL 104.A N LYS 59.A O no hydrogen 2.923 N/A VAL 105.A N GLY 93.A O no hydrogen 2.901 N/A LEU 106.A N ALA 57.A O no hydrogen 2.847 N/A TYR 108.A N HIS 55.A O no hydrogen 3.340 N/A HIS 111.A N LEU 161.A O no hydrogen 3.027 N/A GLY 112.A N MET 109.A O no hydrogen 3.168 N/A LEU 114.A N CYS 159.A O no hydrogen 2.764 N/A ARG 115.A N ALA 156.A O no hydrogen 3.379 N/A ARG 115.A NE GLY 224.A O no hydrogen 3.338 N/A ARG 115.A NH1 ASP 180.A OD1 no hydrogen 3.174 N/A ARG 115.A NH2 GLY 224.A O no hydrogen 2.919 N/A ASN 116.A N ASP 113.A OD2 no hydrogen 2.827 N/A ASN 116.A ND2.A ASP 113.A OD1 no hydrogen 2.720 N/A PHE 117.A N ASP 113.A O no hydrogen 2.984 N/A ILE 118.A N LEU 114.A O no hydrogen 3.035 N/A ARG 119.A N ARG 115.A O no hydrogen 3.046 N/A ARG 119.A NH1 GLY 224.A O no hydrogen 2.854 N/A ASN 120.A N PHE 117.A O no hydrogen 3.235 N/A THR 122.A N ASN 120.A OD1 no hydrogen 2.937 N/A THR 122.A OG1 ASN 120.A OD1 no hydrogen 2.894 N/A HIS 123.A N ASN 120.A O no hydrogen 2.995 N/A HIS 123.A ND1 PHE 117.A O no hydrogen 3.077 N/A THR 126.A N ASP 129.A OD2 no hydrogen 2.993 N/A THR 126.A OG1 GLY 290.A O no hydrogen 2.738 N/A LYS 128.A NZ PHE 285.A O no hydrogen 2.763 N/A LYS 128.A NZ PHE 288.A O no hydrogen 2.962 N/A ASP 129.A N THR 126.A OG1 no hydrogen 2.974 N/A LEU 130.A N THR 126.A O no hydrogen 2.961 N/A ILE 131.A N VAL 127.A O no hydrogen 2.885 N/A GLY 132.A N LYS 128.A O no hydrogen 2.849 N/A PHE 133.A N ASP 129.A O no hydrogen 2.923 N/A GLY 134.A N LEU 130.A O no hydrogen 3.101 N/A LEU 135.A N ILE 131.A O no hydrogen 2.811 N/A GLN 136.A N GLY 132.A O no hydrogen 2.961 N/A GLN 136.A NE2 PHE 165.A O no hydrogen 3.233 N/A VAL 137.A N PHE 133.A O no hydrogen 3.064 N/A ALA 138.A N GLY 134.A O no hydrogen 2.967 N/A LYS 139.A N LEU 135.A O no hydrogen 2.969 N/A GLY 140.A N GLN 136.A O no hydrogen 3.019 N/A MET 141.A N VAL 137.A O no hydrogen 2.844 N/A LYS 142.A N ALA 138.A O no hydrogen 2.780 N/A TYR 143.A N LYS 139.A O no hydrogen 3.090 N/A LEU 144.A N GLY 140.A O no hydrogen 2.998 N/A ALA 145.A N MET 141.A O no hydrogen 2.824 N/A SER 146.A N LYS 142.A O no hydrogen 3.130 N/A SER 146.A OG TYR 143.A O no hydrogen 2.509 N/A LYS 147.A N TYR 143.A O no hydrogen 3.291 N/A LYS 147.A N LEU 144.A O no hydrogen 3.001 N/A LYS 148.A N ALA 145.A O no hydrogen 2.900 N/A PHE 149.A N LEU 144.A O no hydrogen 2.968 N/A HIS 151.A N ASP 209.A OD2 no hydrogen 2.805 N/A HIS 151.A NE2 ALA 170.A O no hydrogen 2.699 N/A ARG 152.A N ASP 209.A OD1 no hydrogen 3.037 N/A ASP 153.A N HIS 151.A ND1 no hydrogen 3.046 N/A ALA 156.A N GLU 219.A OE2 no hydrogen 2.990 N/A ARG 157.A NE TYR 184.A OH no hydrogen 2.811 N/A ARG 157.A NH2 ASP 153.A OD1 no hydrogen 3.050 N/A ASN 158.A N ALA 155.A O no hydrogen 2.942 N/A ASN 158.A ND2 ASP 153.A O no hydrogen 2.790 N/A ASN 158.A ND2 ASP 153.A OD2 no hydrogen 3.032 N/A CYS 159.A N ALA 156.A O no hydrogen 3.208 N/A CYS 159.A SG ALA 155.A O no hydrogen 3.725 N/A MET 160.A N LYS 168.A O no hydrogen 2.769 N/A LEU 161.A N GLY 112.A O no hydrogen 2.893 N/A ASP 162.A N THR 166.A O no hydrogen 3.019 N/A LYS 164.A N ASP 162.A OD1 no hydrogen 2.907 N/A PHE 165.A N ASP 162.A O no hydrogen 2.958 N/A THR 166.A N ASP 162.A OD1 no hydrogen 2.936 N/A VAL 167.A N GLN 136.A OE1 no hydrogen 2.778 N/A LYS 168.A N MET 160.A O no hydrogen 2.742 N/A LYS 168.A NZ PRO 86.A O no hydrogen 2.719 N/A VAL 169.A N ASN 87.A O no hydrogen 2.829 N/A PHE 172.A N ASN 158.A OD1 no hydrogen 3.180 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.048 N/A LEU 174.A N GLU 76.A OE1 no hydrogen 3.385 N/A ALA 175.A N PHE 172.A O no hydrogen 3.024 N/A ARG 176.A N GLY 173.A O no hydrogen 3.239 N/A ARG 176.A NH2 ASP 171.A OD1 no hydrogen 3.250 N/A MET 178.A N ALA 175.A O no hydrogen 3.303 N/A TYR 179.A OH ILE 33.A O no hydrogen 2.361 N/A LYS 181.A NZ ASP 177.A O no hydrogen 3.421 N/A GLU 182.A N GLU 182.A OE2 no hydrogen 2.410 N/A TYR 183.A N ASP 180.A O no hydrogen 3.404 N/A TYR 184.A N LYS 181.A O no hydrogen 2.951 N/A TYR 184.A OH ASP 153.A OD1 no hydrogen 3.338 N/A TYR 184.A OH ASP 153.A OD2 no hydrogen 2.530 N/A SER 185.A N LEU 189.A O no hydrogen 2.793 N/A LEU 189.A N SER 185.A O no hydrogen 2.698 N/A LYS 192.A NZ PRO 227.A O no hydrogen 3.076 N/A LYS 192.A NZ TYR 228.A O no hydrogen 3.082 N/A LYS 192.A NZ VAL 231.A O no hydrogen 2.543 N/A TRP 193.A N PRO 190.A O no hydrogen 2.965 N/A TRP 193.A NE1 GLU 219.A OE2 no hydrogen 2.890 N/A MET 194.A N VAL 191.A O no hydrogen 3.206 N/A GLU 197.A N GLU 197.A OE1 no hydrogen 2.799 N/A SER 198.A OG LYS 203.A O no hydrogen 2.726 N/A LEU 199.A N ALA 195.A O no hydrogen 2.978 N/A GLN 200.A N LEU 196.A O no hydrogen 3.267 N/A GLN 200.A N GLU 197.A O no hydrogen 3.283 N/A THR 201.A N GLU 197.A O no hydrogen 2.871 N/A THR 201.A OG1 GLU 197.A O no hydrogen 2.805 N/A GLN 202.A N SER 198.A O no hydrogen 2.697 N/A LYS 203.A N THR 201.A OG1 no hydrogen 3.239 N/A THR 205.A N SER 208.A OG no hydrogen 2.752 N/A LYS 207.A NZ ARG 271.A O no hydrogen 2.829 N/A SER 208.A N THR 205.A OG1 no hydrogen 3.075 N/A SER 208.A OG THR 205.A O no hydrogen 2.903 N/A ASP 209.A N THR 205.A O no hydrogen 3.005 N/A VAL 210.A N THR 206.A O no hydrogen 2.996 N/A TRP 211.A N LYS 207.A O no hydrogen 3.377 N/A SER 212.A N SER 208.A O no hydrogen 3.141 N/A SER 212.A OG TRP 193.A O no hydrogen 2.695 N/A SER 212.A OG SER 208.A O no hydrogen 3.313 N/A PHE 213.A N ASP 209.A O no hydrogen 2.805 N/A GLY 214.A N VAL 210.A O no hydrogen 3.003 N/A VAL 215.A N TRP 211.A O no hydrogen 3.170 N/A LEU 216.A N SER 212.A O no hydrogen 2.851 N/A LEU 217.A N PHE 213.A O no hydrogen 2.858 N/A TRP 218.A N GLY 214.A O no hydrogen 3.103 N/A TRP 218.A NE1 LEU 247.A O no hydrogen 2.771 N/A GLU 219.A N VAL 215.A O no hydrogen 2.838 N/A LEU 220.A N LEU 216.A O no hydrogen 2.911 N/A MET 221.A N LEU 217.A O no hydrogen 2.953 N/A THR 222.A N TRP 218.A O no hydrogen 3.086 N/A THR 222.A N GLU 219.A O no hydrogen 3.299 N/A THR 222.A OG1 TRP 218.A O no hydrogen 3.049 N/A THR 222.A OG1 GLU 219.A O no hydrogen 3.193 N/A ARG 223.A N LEU 220.A O no hydrogen 3.112 N/A ARG 223.A NE ILE 118.A O no hydrogen 2.808 N/A ARG 223.A NH1 ILE 118.A O no hydrogen 2.973 N/A ARG 223.A NH1 HIS 123.A O no hydrogen 2.908 N/A ARG 223.A NH2 HIS 123.A O no hydrogen 3.306 N/A GLY 224.A N GLU 219.A O no hydrogen 2.806 N/A ALA 225.A N THR 222.A OG1 no hydrogen 3.160 N/A VAL 231.A N TYR 228.A O no hydrogen 2.918 N/A THR 237.A N ASP 235.A OD1 no hydrogen 3.229 N/A THR 237.A OG1 ASP 235.A OD1 no hydrogen 3.432 N/A TYR 239.A N ASP 235.A O no hydrogen 3.061 N/A LEU 240.A N ILE 236.A O no hydrogen 2.878 N/A LEU 241.A N THR 237.A O no hydrogen 2.973 N/A GLN 242.A N VAL 238.A O no hydrogen 3.117 N/A GLN 242.A N TYR 239.A O no hydrogen 3.215 N/A GLY 243.A N LEU 240.A O no hydrogen 2.931 N/A ARG 244.A N LEU 240.A O no hydrogen 3.292 N/A ARG 244.A NE GLN 242.A OE1 no hydrogen 2.812 N/A ARG 244.A NH2 GLN 242.A OE1 no hydrogen 3.275 N/A ARG 245.A NE TRP 264.A O no hydrogen 3.317 N/A ARG 245.A NH1 ARG 244.A O no hydrogen 2.882 N/A ARG 245.A NH2 TRP 264.A O no hydrogen 2.890 N/A GLN 248.A NE2 CYS 252.A O no hydrogen 2.883 N/A GLN 248.A NE2 ASP 254.A OD1 no hydrogen 2.991 N/A GLU 250.A N GLU 250.A OE2 no hydrogen 2.665 N/A CYS 252.A N PRO 249.A O no hydrogen 3.010 N/A CYS 252.A SG PRO 253.A O no hydrogen 3.527 N/A TYR 257.A N PRO 253.A O no hydrogen 3.013 N/A TYR 257.A OH LEU 246.A O no hydrogen 2.615 N/A GLU 258.A N ASP 254.A O no hydrogen 2.933 N/A VAL 259.A N PRO 255.A O no hydrogen 3.018 N/A MET 260.A N LEU 256.A O no hydrogen 2.972 N/A LEU 261.A N TYR 257.A O no hydrogen 2.908 N/A LYS 262.A N GLU 258.A O no hydrogen 2.997 N/A CYS 263.A N VAL 259.A O no hydrogen 2.965 N/A CYS 263.A SG VAL 259.A O no hydrogen 3.415 N/A TRP 264.A N MET 260.A O no hydrogen 3.142 N/A TRP 264.A N LEU 261.A O no hydrogen 3.210 N/A HIS 265.A N LYS 262.A O no hydrogen 3.195 N/A LYS 267.A N HIS 265.A ND1 no hydrogen 2.944 N/A GLU 269.A N GLU 269.A OE1 no hydrogen 2.713 N/A MET 270.A N LYS 267.A O no hydrogen 2.887 N/A ARG 271.A N ALA 268.A O no hydrogen 3.160 N/A ARG 271.A NE HIS 265.A O no hydrogen 2.897 N/A ARG 271.A NH1 GLU 197.A OE1 no hydrogen 3.550 N/A ARG 271.A NH1 GLU 197.A OE2 no hydrogen 2.839 N/A ARG 271.A NH1 LYS 207.A O no hydrogen 3.103 N/A ARG 271.A NH2 GLU 197.A OE1 no hydrogen 2.857 N/A ARG 271.A NH2 HIS 265.A O no hydrogen 2.978 N/A GLU 276.A N SER 273.A OG no hydrogen 2.947 N/A LEU 277.A N SER 273.A O no hydrogen 2.933 N/A VAL 278.A N PHE 274.A O no hydrogen 2.884 N/A SER 279.A N SER 275.A O no hydrogen 3.166 N/A ARG 280.A N GLU 276.A O no hydrogen 2.903 N/A ARG 280.A NE GLU 276.A OE2 no hydrogen 2.698 N/A ARG 280.A NH2 GLU 276.A OE2 no hydrogen 3.251 N/A ILE 281.A N LEU 277.A O no hydrogen 2.863 N/A SER 282.A N VAL 278.A O no hydrogen 2.952 N/A SER 282.A OG VAL 278.A O no hydrogen 2.743 N/A ALA 283.A N SER 279.A O no hydrogen 3.183 N/A ILE 284.A N ARG 280.A O no hydrogen 3.108 N/A PHE 285.A N ILE 281.A O no hydrogen 2.840 N/A SER 286.A N SER 282.A O no hydrogen 2.974 N/A SER 286.A OG ALA 283.A O no hydrogen 2.692 N/A THR 287.A N ILE 284.A O no hydrogen 3.092 N/A THR 287.A OG1 ILE 284.A O no hydrogen 2.795 N/A PHE 288.A N PHE 285.A O no hydrogen 3.202 N/A