Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 216.A OE2 no hydrogen 2.908 N/A SER 6.A OG SER 7.A O no hydrogen 3.566 N/A THR 9.A N SER 7.A O no hydrogen 3.056 N/A GLN 11.A N ILE 86.A O no hydrogen 2.787 N/A GLN 11.A NE2 SER 6.A OG no hydrogen 2.676 N/A GLN 11.A NE2 SER 7.A O no hydrogen 2.787 N/A ILE 13.A N LYS 108.A O no hydrogen 2.740 N/A SER 14.A N THR 88.A O no hydrogen 2.925 N/A ALA 15.A N LEU 110.A O no hydrogen 2.788 N/A ARG 19.A NE SER 122.A OG no hydrogen 2.735 N/A ARG 19.A NH1 ASN 227.A O no hydrogen 3.231 N/A ARG 19.A NH2 SER 122.A OG no hydrogen 3.170 N/A ARG 19.A NH2 ASN 227.A O no hydrogen 2.777 N/A THR 20.A OG1 LEU 17.A O no hydrogen 2.620 N/A THR 20.A OG1 THR 112.A OG1 no hydrogen 2.645 N/A THR 22.A OG1 HIS 39.A NE2 no hydrogen 2.881 N/A LYS 23.A NZ ASN 27.A OD1 no hydrogen 2.979 N/A LYS 23.A NZ ASP 254.A O no hydrogen 3.149 N/A LYS 23.A NZ LEU 255.A O no hydrogen 2.724 N/A SER 24.A OG PRO 224.A O no hydrogen 3.111 N/A LEU 25.A N GLY 21.A O no hydrogen 3.069 N/A LYS 26.A N THR 22.A O no hydrogen 2.836 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 2.776 N/A ASN 27.A N LYS 23.A O no hydrogen 2.931 N/A ASN 27.A ND2 ASP 254.A O no hydrogen 2.940 N/A ALA 28.A N SER 24.A O no hydrogen 2.828 N/A LEU 29.A N LEU 25.A O no hydrogen 2.781 N/A GLU 30.A N LYS 26.A O no hydrogen 3.057 N/A ILE 31.A N ASN 27.A O no hydrogen 2.984 N/A ILE 32.A N ALA 28.A O no hydrogen 3.019 N/A TYR 33.A N LEU 29.A O no hydrogen 2.898 N/A HIS 34.A N GLU 30.A O no hydrogen 2.906 N/A CYS 37.A N GLU 30.A OE2 no hydrogen 2.861 N/A CYS 37.A SG TYR 38.A O no hydrogen 3.513 N/A TYR 38.A N ALA 87.A O no hydrogen 2.814 N/A TYR 38.A OH ASP 50.A OD2 no hydrogen 2.709 N/A HIS 39.A NE2 THR 22.A OG1 no hydrogen 2.881 N/A MET 40.A N ASP 90.A OD2 no hydrogen 3.123 N/A PHE 41.A N HIS 39.A ND1 no hydrogen 2.906 N/A GLU 42.A N HIS 39.A O no hydrogen 3.005 N/A ILE 44.A N MET 40.A O no hydrogen 2.983 N/A PHE 45.A N PHE 41.A O no hydrogen 2.945 N/A ASN 46.A N GLU 42.A O no hydrogen 2.984 N/A ASN 46.A ND2 GLU 42.A OE1 no hydrogen 3.371 N/A LYS 47.A N GLU 42.A O no hydrogen 2.904 N/A LYS 47.A N ILE 43.A O no hydrogen 3.219 N/A GLN 48.A NE2 ILE 44.A O no hydrogen 3.025 N/A GLN 48.A NE2 LEU 146.A O no hydrogen 2.784 N/A ASP 50.A N LYS 47.A O no hydrogen 2.893 N/A ILE 51.A N GLN 48.A O no hydrogen 3.127 N/A TRP 54.A N ASP 50.A O no hydrogen 2.920 N/A TRP 54.A NE1 TYR 38.A OH no hydrogen 2.758 N/A GLN 55.A N ILE 51.A O no hydrogen 2.939 N/A GLN 55.A NE2 ASP 158.A OD2 no hydrogen 2.750 N/A ASN 56.A N ILE 52.A O no hydrogen 2.873 N/A LEU 57.A N LYS 53.A O no hydrogen 3.039 N/A ILE 58.A N TRP 54.A O no hydrogen 2.997 N/A HIS 59.A N GLN 55.A O no hydrogen 2.983 N/A HIS 59.A ND1 ASP 60.A OD1 no hydrogen 3.321 N/A ASP 60.A N ASN 56.A O no hydrogen 3.120 N/A SER 61.A N ILE 58.A O no hydrogen 3.281 N/A SER 61.A OG.A LEU 57.A O no hydrogen 2.629 N/A SER 61.A OG.B ILE 58.A O no hydrogen 2.823 N/A MET 63.A N ASP 60.A O no hydrogen 3.121 N/A ILE 64.A N SER 61.A O no hydrogen 2.906 N/A THR 65.A N THR 71.A OG1 no hydrogen 3.112 N/A THR 68.A OG1 THR 71.A OG1 no hydrogen 2.969 N/A THR 71.A N THR 68.A OG1 no hydrogen 3.246 N/A THR 71.A OG1 THR 68.A OG1 no hydrogen 2.969 N/A ILE 72.A N THR 68.A O no hydrogen 3.198 N/A ALA 73.A N THR 69.A O no hydrogen 3.220 N/A ILE 74.A N LYS 70.A O no hydrogen 3.373 N/A TYR 75.A N THR 71.A O no hydrogen 2.841 N/A TYR 75.A OH ASP 99.A OD1 no hydrogen 2.539 N/A ASP 76.A N ILE 72.A O no hydrogen 2.857 N/A LYS 77.A N ALA 73.A O no hydrogen 3.220 N/A LEU 78.A N ILE 74.A O no hydrogen 2.992 N/A LYS 79.A N TYR 75.A O no hydrogen 3.029 N/A GLU 80.A N ASP 76.A O no hydrogen 3.039 N/A LEU 81.A N LYS 77.A O no hydrogen 2.992 N/A LEU 82.A N LEU 78.A O no hydrogen 3.178 N/A LEU 82.A N LYS 79.A O no hydrogen 3.306 N/A ASP 83.A N GLU 80.A O no hydrogen 3.355 N/A TYR 85.A N LEU 82.A O no hydrogen 3.097 N/A TYR 85.A OH GLU 42.A OE2 no hydrogen 2.712 N/A ILE 86.A N PRO 36.A O no hydrogen 2.903 N/A THR 88.A N VAL 12.A O no hydrogen 3.094 N/A THR 89.A N TYR 38.A O no hydrogen 2.981 N/A THR 89.A OG1 TYR 38.A O no hydrogen 2.922 N/A LEU 91.A N ASP 90.A OD1 no hydrogen 2.657 N/A THR 93.A OG1 THR 89.A O no hydrogen 3.160 N/A THR 93.A OG1 ASP 90.A O no hydrogen 2.936 N/A CYS 94.A N ASP 90.A O no hydrogen 2.953 N/A CYS 94.A SG GLY 16.A O no hydrogen 3.735 N/A PHE 96.A N THR 93.A O no hydrogen 2.829 N/A TYR 97.A N CYS 94.A O no hydrogen 3.130 N/A LEU 100.A N PHE 96.A O no hydrogen 2.930 N/A MET 101.A N TYR 97.A O no hydrogen 2.969 N/A ASN 102.A N LYS 98.A O no hydrogen 3.378 N/A ASN 102.A ND2 TYR 75.A OH no hydrogen 3.333 N/A ILE 103.A N ASP 99.A O no hydrogen 2.923 N/A TYR 104.A N LEU 100.A O no hydrogen 2.749 N/A ALA 107.A N TYR 104.A O no hydrogen 2.936 N/A LYS 108.A N GLN 11.A O no hydrogen 2.915 N/A LYS 108.A NZ PHE 212.A O no hydrogen 2.960 N/A VAL 109.A N ARG 196.A O no hydrogen 2.881 N/A LEU 110.A N ILE 13.A O no hydrogen 2.830 N/A LEU 111.A N LEU 198.A O no hydrogen 2.873 N/A THR 112.A OG1 THR 20.A OG1 no hydrogen 2.645 N/A ILE 113.A N LEU 200.A O no hydrogen 2.985 N/A ARG 114.A N TYR 181.A OH no hydrogen 3.131 N/A ARG 114.A NH1 ARG 19.A O no hydrogen 2.868 N/A LYS 116.A NZ ASP 182.A OD2 no hydrogen 2.785 N/A TYR 117.A N ASP 115.A OD2 no hydrogen 3.037 N/A ASP 118.A N ASP 115.A OD2 no hydrogen 2.961 N/A TRP 119.A N ASP 115.A O no hydrogen 2.928 N/A TRP 119.A NE1 PRO 18.A O no hydrogen 2.770 N/A LEU 120.A N LYS 116.A O no hydrogen 2.994 N/A HIS 121.A N TYR 117.A O no hydrogen 2.971 N/A SER 122.A N ASP 118.A O no hydrogen 3.010 N/A LEU 123.A N TRP 119.A O no hydrogen 2.821 N/A ARG 124.A N LEU 120.A O no hydrogen 2.926 N/A ARG 124.A NE ASP 174.A OD1 no hydrogen 2.947 N/A ARG 124.A NH1 LEU 128.A O no hydrogen 2.941 N/A ARG 124.A NH1 PHE 171.A O no hydrogen 2.759 N/A ARG 124.A NH2 PHE 171.A O no hydrogen 2.980 N/A ARG 124.A NH2 ASP 174.A OD1 no hydrogen 2.636 N/A LYS 125.A N HIS 121.A O no hydrogen 3.253 N/A LYS 125.A N SER 122.A O no hydrogen 3.157 N/A LYS 125.A NZ HIS 121.A NE2 no hydrogen 3.063 N/A VAL 126.A N LEU 123.A O no hydrogen 3.405 N/A VAL 127.A N LEU 123.A O no hydrogen 2.898 N/A LEU 128.A N LEU 123.A O no hydrogen 2.753 N/A LYS 130.A NZ ASP 174.A OD2 no hydrogen 3.318 N/A SER 131.A N ASP 172.A OD1 no hydrogen 3.109 N/A SER 131.A OG ASP 172.A OD2 no hydrogen 2.343 N/A ASP 133.A N LYS 130.A O no hydrogen 2.924 N/A TRP 135.A N ASP 133.A OD1 no hydrogen 2.906 N/A TRP 135.A NE1 LYS 125.A O no hydrogen 2.989 N/A LYS 136.A N ASP 133.A O no hydrogen 2.959 N/A LEU 137.A N PRO 134.A O no hydrogen 3.076 N/A LYS 138.A N TRP 135.A O no hydrogen 2.937 N/A ILE 139.A N TRP 135.A O no hydrogen 3.013 N/A GLU 140.A N LYS 136.A O no hydrogen 2.989 N/A GLU 141.A N LEU 137.A O no hydrogen 3.104 N/A GLY 142.A N LYS 138.A O no hydrogen 2.916 N/A ASP 143.A N ILE 139.A O no hydrogen 2.855 N/A LYS 144.A N GLU 140.A O no hydrogen 3.107 N/A VAL 145.A N GLU 141.A O no hydrogen 3.404 N/A LEU 146.A N GLY 142.A O no hydrogen 3.257 N/A GLY 147.A N LYS 144.A O no hydrogen 2.990 N/A LEU 148.A N ASP 143.A O no hydrogen 2.981 N/A ASP 151.A N ASN 149.A OD1 no hydrogen 3.329 N/A PHE 152.A N ASN 149.A O no hydrogen 2.912 N/A TYR 153.A N ASN 149.A O no hydrogen 3.306 N/A TYR 153.A OH ASP 143.A OD2 no hydrogen 2.414 N/A LYS 154.A N SER 150.A O no hydrogen 2.921 N/A LYS 154.A NZ ASP 158.A OD2 no hydrogen 2.725 N/A LEU 155.A N ASP 151.A O no hydrogen 3.048 N/A THR 156.A N PHE 152.A O no hydrogen 3.009 N/A THR 156.A OG1 PHE 152.A O no hydrogen 3.498 N/A GLU 157.A N TYR 153.A O no hydrogen 2.959 N/A ASP 158.A N LYS 154.A O no hydrogen 2.808 N/A SER 159.A N LEU 155.A O no hydrogen 2.953 N/A SER 159.A OG LEU 155.A O no hydrogen 2.604 N/A SER 159.A OG THR 156.A O no hydrogen 3.310 N/A LEU 160.A N THR 156.A O no hydrogen 3.053 N/A LYS 161.A N GLU 157.A O no hydrogen 2.909 N/A PHE 162.A N ASP 158.A O no hydrogen 2.870 N/A ALA 163.A N SER 159.A O no hydrogen 2.973 N/A PHE 164.A N LEU 160.A O no hydrogen 3.006 N/A GLN 165.A N PHE 162.A O no hydrogen 3.188 N/A LYS 166.A N LYS 161.A O no hydrogen 2.942 N/A ASP 172.A N ASN 170.A OD1 no hydrogen 3.123 N/A ASP 173.A N ASN 170.A O no hydrogen 2.994 N/A VAL 176.A N ASP 173.A OD1 no hydrogen 3.079 N/A LEU 177.A N ASP 173.A O no hydrogen 3.177 N/A LEU 178.A N ASP 174.A O no hydrogen 2.925 N/A GLU 179.A N GLN 175.A O no hydrogen 3.034 N/A CYS 180.A N VAL 176.A O no hydrogen 2.998 N/A CYS 180.A SG VAL 176.A O no hydrogen 3.335 N/A TYR 181.A N LEU 177.A O no hydrogen 2.911 N/A TYR 181.A OH ARG 114.A O no hydrogen 2.749 N/A ASP 182.A N LEU 178.A O no hydrogen 3.044 N/A GLU 183.A N GLU 179.A O no hydrogen 2.932 N/A TYR 184.A N CYS 180.A O no hydrogen 2.778 N/A TYR 184.A OH ALA 15.A O no hydrogen 2.631 N/A TYR 184.A OH CYS 94.A O no hydrogen 3.074 N/A ASN 185.A N TYR 181.A O no hydrogen 3.017 N/A ARG 186.A N ASP 182.A O no hydrogen 3.026 N/A ARG 186.A NE GLU 183.A OE1 no hydrogen 3.365 N/A ARG 186.A NE GLU 183.A OE2 no hydrogen 3.062 N/A ARG 186.A NH2 GLU 183.A OE2 no hydrogen 3.364 N/A ARG 186.A NH2 GLU 190.A OE1 no hydrogen 2.467 N/A LEU 187.A N GLU 183.A O no hydrogen 2.870 N/A VAL 188.A N TYR 184.A O no hydrogen 3.107 N/A GLN 189.A N ASN 185.A O no hydrogen 3.360 N/A GLN 189.A NE2 ASN 185.A O no hydrogen 3.065 N/A GLU 190.A N ARG 186.A O no hydrogen 2.976 N/A THR 191.A N LEU 187.A O no hydrogen 2.806 N/A THR 191.A N VAL 188.A O no hydrogen 3.127 N/A THR 191.A OG1 LEU 187.A O no hydrogen 2.785 N/A VAL 192.A N VAL 188.A O no hydrogen 2.946 N/A ARG 196.A N PRO 193.A O no hydrogen 2.716 N/A ARG 196.A NE ALA 107.A O no hydrogen 2.745 N/A ARG 196.A NH2 MET 101.A O no hydrogen 3.171 N/A ARG 196.A NH2 ALA 107.A O no hydrogen 3.029 N/A LEU 197.A N SER 194.A O no hydrogen 3.288 N/A LEU 198.A N VAL 109.A O no hydrogen 2.973 N/A LEU 200.A N LEU 111.A O no hydrogen 2.675 N/A ARG 201.A N ASP 204.A OD2 no hydrogen 2.834 N/A LEU 202.A N ILE 113.A O no hydrogen 3.199 N/A ASP 204.A N ARG 201.A O no hydrogen 2.937 N/A TRP 206.A NE1 ILE 221.A O no hydrogen 2.781 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.810 N/A CYS 210.A N TRP 206.A O no hydrogen 2.804 N/A CYS 210.A SG TRP 206.A O no hydrogen 3.387 N/A CYS 210.A SG GLU 216.A O no hydrogen 3.912 N/A LYS 211.A N GLU 207.A O no hydrogen 3.054 N/A PHE 212.A N PRO 208.A O no hydrogen 3.095 N/A LEU 213.A N LEU 209.A O no hydrogen 2.998 N/A ASN 214.A N LYS 211.A O no hydrogen 3.217 N/A VAL 215.A N CYS 210.A O no hydrogen 3.012 N/A VAL 226.A N SER 24.A OG no hydrogen 3.016 N/A ASN 227.A N GLN 231.A OE1 no hydrogen 2.938 N/A GLN 231.A N SER 228.A OG no hydrogen 3.042 N/A MET 232.A N SER 228.A O no hydrogen 3.083 N/A THR 233.A N HIS 229.A O no hydrogen 2.883 N/A THR 233.A OG1 HIS 229.A O no hydrogen 3.147 N/A GLN 234.A N HIS 230.A O no hydrogen 3.067 N/A LEU 235.A N GLN 231.A O no hydrogen 2.893 N/A THR 236.A N MET 232.A O no hydrogen 2.923 N/A THR 236.A OG1 MET 232.A O no hydrogen 2.998 N/A GLU 237.A N THR 233.A O no hydrogen 2.991 N/A GLN 238.A N GLN 234.A O no hydrogen 2.923 N/A LEU 239.A N LEU 235.A O no hydrogen 2.837 N/A ILE 240.A N THR 236.A O no hydrogen 3.044 N/A LYS 241.A N GLU 237.A O no hydrogen 3.010 N/A TYR 242.A N GLN 238.A O no hydrogen 2.952 N/A LYS 243.A N LEU 239.A O no hydrogen 2.871 N/A LYS 243.A NZ ILE 240.A O no hydrogen 3.134 N/A LYS 243.A NZ LYS 241.A O no hydrogen 3.216 N/A ALA 247.A N SER 244.A OG no hydrogen 3.063 N/A ILE 248.A N LEU 245.A O no hydrogen 2.990 N/A MET 251.A N ILE 248.A O no hydrogen 2.783 N/A PHE 252.A N ILE 249.A O no hydrogen 3.042 N/A ILE 256.A N PHE 252.A O no hydrogen 3.315 N/A