Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4mua_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 213.A OE2 no hydrogen 2.793 N/A THR 9.A N SER 7.A O no hydrogen 2.915 N/A GLN 11.A N ILE 83.A O no hydrogen 2.726 N/A GLN 11.A NE2 SER 6.A OG no hydrogen 2.806 N/A GLN 11.A NE2 SER 7.A O no hydrogen 2.802 N/A VAL 12.A N ILE 83.A O no hydrogen 3.367 N/A ILE 13.A N LYS 105.A O no hydrogen 2.821 N/A SER 14.A N THR 85.A O no hydrogen 2.900 N/A ALA 15.A N LEU 107.A O no hydrogen 2.664 N/A ARG 19.A NE SER 119.A OG no hydrogen 2.676 N/A ARG 19.A NH1 ASN 224.A O no hydrogen 3.097 N/A ARG 19.A NH2 SER 119.A OG no hydrogen 3.011 N/A ARG 19.A NH2 ASN 224.A O no hydrogen 2.991 N/A THR 20.A OG1 LEU 17.A O no hydrogen 2.688 N/A THR 20.A OG1 THR 109.A O no hydrogen 3.411 N/A THR 20.A OG1 THR 109.A OG1 no hydrogen 2.701 N/A THR 22.A OG1 HIS 39.A NE2 no hydrogen 2.834 N/A LYS 23.A NZ ASN 27.A OD1 no hydrogen 3.001 N/A LYS 23.A NZ ASP 251.A O no hydrogen 3.387 N/A LYS 23.A NZ LEU 252.A O no hydrogen 2.755 N/A SER 24.A OG PRO 221.A O no hydrogen 3.105 N/A LEU 25.A N GLY 21.A O no hydrogen 3.017 N/A LYS 26.A N THR 22.A O no hydrogen 2.766 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 2.845 N/A ASN 27.A N LYS 23.A O no hydrogen 3.007 N/A ASN 27.A ND2 ASP 251.A O no hydrogen 3.481 N/A ALA 28.A N SER 24.A O no hydrogen 2.840 N/A LEU 29.A N LEU 25.A O no hydrogen 2.771 N/A GLU 30.A N LYS 26.A O no hydrogen 3.068 N/A ILE 31.A N ASN 27.A O no hydrogen 2.964 N/A ILE 32.A N ALA 28.A O no hydrogen 3.027 N/A TYR 33.A N LEU 29.A O no hydrogen 2.913 N/A HIS 34.A N GLU 30.A O no hydrogen 2.975 N/A CYS 37.A N GLU 30.A OE2 no hydrogen 2.792 N/A CYS 37.A SG TYR 38.A O no hydrogen 3.502 N/A CYS 37.A SG ALA 84.A O no hydrogen 3.630 N/A TYR 38.A N ALA 84.A O no hydrogen 2.826 N/A TYR 38.A OH ASP 50.A OD2 no hydrogen 2.547 N/A HIS 39.A NE2 THR 22.A OG1 no hydrogen 2.834 N/A MET 40.A N ASP 87.A OD2 no hydrogen 3.070 N/A PHE 41.A N HIS 39.A ND1 no hydrogen 2.992 N/A GLU 42.A N HIS 39.A O no hydrogen 2.958 N/A ILE 44.A N MET 40.A O no hydrogen 2.901 N/A PHE 45.A N PHE 41.A O no hydrogen 2.797 N/A ASN 46.A N GLU 42.A O no hydrogen 2.945 N/A ASN 46.A ND2 GLU 42.A OE1 no hydrogen 3.096 N/A LYS 47.A N GLU 42.A O no hydrogen 2.937 N/A LYS 47.A N ILE 43.A O no hydrogen 3.140 N/A LYS 47.A NZ TYR 82.A OH no hydrogen 3.066 N/A GLN 48.A NE2 ILE 44.A O no hydrogen 3.041 N/A GLN 48.A NE2 LEU 143.A O no hydrogen 2.822 N/A ASP 50.A N LYS 47.A O no hydrogen 2.860 N/A ILE 51.A N GLN 48.A O no hydrogen 3.047 N/A TRP 54.A N ASP 50.A O no hydrogen 2.907 N/A TRP 54.A NE1 TYR 38.A OH no hydrogen 2.942 N/A GLN 55.A N ILE 51.A O no hydrogen 2.973 N/A GLN 55.A NE2 ASP 155.A OD2 no hydrogen 2.711 N/A ASN 56.A N ILE 52.A O no hydrogen 2.837 N/A LEU 57.A N LYS 53.A O no hydrogen 2.875 N/A ILE 58.A N TRP 54.A O no hydrogen 2.876 N/A HIS 59.A N GLN 55.A O no hydrogen 2.968 N/A ASP 60.A N ASN 56.A O no hydrogen 3.060 N/A SER 61.A N ILE 58.A O no hydrogen 2.994 N/A SER 61.A OG LEU 57.A O no hydrogen 2.544 N/A MET 63.A N ASP 60.A O no hydrogen 3.177 N/A THR 65.A OG1 THR 68.A OG1 no hydrogen 2.763 N/A THR 68.A N THR 65.A OG1 no hydrogen 3.334 N/A THR 68.A OG1 THR 65.A OG1 no hydrogen 2.763 N/A ALA 70.A N THR 66.A O no hydrogen 3.407 N/A ILE 71.A N LYS 67.A O no hydrogen 3.365 N/A TYR 72.A N THR 68.A O no hydrogen 2.705 N/A TYR 72.A OH ASP 96.A OD1 no hydrogen 2.949 N/A ASP 73.A N ILE 69.A O no hydrogen 2.898 N/A LYS 74.A N ALA 70.A O no hydrogen 3.168 N/A LEU 75.A N ILE 71.A O no hydrogen 2.984 N/A LYS 76.A N TYR 72.A O no hydrogen 2.952 N/A LYS 76.A NZ ASP 73.A OD1 no hydrogen 3.298 N/A GLU 77.A N ASP 73.A O no hydrogen 2.951 N/A LEU 78.A N LYS 74.A O no hydrogen 2.954 N/A LEU 79.A N LEU 75.A O no hydrogen 3.170 N/A ASP 80.A N GLU 77.A O no hydrogen 3.361 N/A TYR 82.A N LEU 79.A O no hydrogen 3.229 N/A TYR 82.A OH GLU 42.A OE2 no hydrogen 2.338 N/A ILE 83.A N PRO 36.A O no hydrogen 2.919 N/A THR 85.A N VAL 12.A O no hydrogen 2.955 N/A THR 86.A N TYR 38.A O no hydrogen 3.037 N/A THR 86.A OG1 TYR 38.A O no hydrogen 2.804 N/A LEU 88.A N ASP 87.A OD1 no hydrogen 2.601 N/A THR 90.A OG1 THR 86.A O no hydrogen 3.078 N/A THR 90.A OG1 ASP 87.A O no hydrogen 2.988 N/A CYS 91.A N ASP 87.A O no hydrogen 2.937 N/A PHE 93.A N THR 90.A O no hydrogen 2.795 N/A TYR 94.A N CYS 91.A O no hydrogen 3.105 N/A LEU 97.A N PHE 93.A O no hydrogen 2.849 N/A MET 98.A N TYR 94.A O no hydrogen 2.956 N/A ASN 99.A N LYS 95.A O no hydrogen 3.398 N/A ASN 99.A ND2 TYR 72.A OH no hydrogen 3.070 N/A ILE 100.A N ASP 96.A O no hydrogen 2.941 N/A TYR 101.A N LEU 97.A O no hydrogen 2.748 N/A ALA 104.A N TYR 101.A O no hydrogen 3.005 N/A LYS 105.A N GLN 11.A O no hydrogen 2.929 N/A LYS 105.A NZ PHE 209.A O no hydrogen 3.071 N/A VAL 106.A N ARG 193.A O no hydrogen 2.841 N/A LEU 107.A N ILE 13.A O no hydrogen 2.823 N/A LEU 108.A N LEU 195.A O no hydrogen 2.887 N/A THR 109.A OG1 THR 20.A O no hydrogen 3.477 N/A THR 109.A OG1 THR 20.A OG1 no hydrogen 2.701 N/A ILE 110.A N LEU 197.A O no hydrogen 2.891 N/A ARG 111.A N TYR 178.A OH no hydrogen 3.167 N/A ARG 111.A NH1 ARG 19.A O no hydrogen 2.776 N/A LYS 113.A NZ ASP 179.A OD2 no hydrogen 2.724 N/A TYR 114.A N ASP 112.A OD2 no hydrogen 2.978 N/A ASP 115.A N ASP 112.A OD2 no hydrogen 2.941 N/A TRP 116.A N ASP 112.A O no hydrogen 2.964 N/A TRP 116.A NE1 PRO 18.A O no hydrogen 2.783 N/A LEU 117.A N LYS 113.A O no hydrogen 3.010 N/A HIS 118.A N TYR 114.A O no hydrogen 2.942 N/A SER 119.A N ASP 115.A O no hydrogen 2.998 N/A LEU 120.A N TRP 116.A O no hydrogen 2.783 N/A ARG 121.A N LEU 117.A O no hydrogen 2.851 N/A ARG 121.A NE ASP 171.A OD1 no hydrogen 2.987 N/A ARG 121.A NH1 LEU 125.A O no hydrogen 2.764 N/A ARG 121.A NH1 PHE 168.A O no hydrogen 2.793 N/A ARG 121.A NH2 PHE 168.A O no hydrogen 3.046 N/A ARG 121.A NH2 ASP 171.A OD1 no hydrogen 2.733 N/A LYS 122.A N HIS 118.A O no hydrogen 3.248 N/A LYS 122.A N SER 119.A O no hydrogen 3.075 N/A VAL 123.A N LEU 120.A O no hydrogen 3.309 N/A VAL 124.A N LEU 120.A O no hydrogen 2.947 N/A LEU 125.A N LEU 120.A O no hydrogen 2.821 N/A LYS 127.A NZ ASP 171.A OD2 no hydrogen 3.469 N/A SER 128.A N ASP 169.A OD1 no hydrogen 3.276 N/A SER 128.A OG ASP 169.A OD1 no hydrogen 3.439 N/A SER 128.A OG ASP 169.A OD2 no hydrogen 2.730 N/A ASP 130.A N LYS 127.A O no hydrogen 2.945 N/A TRP 132.A N ASP 130.A OD1 no hydrogen 2.970 N/A TRP 132.A NE1 LYS 122.A O no hydrogen 3.026 N/A LYS 133.A N ASP 130.A O no hydrogen 2.989 N/A LYS 133.A NZ GLU 137.A OE2 no hydrogen 2.929 N/A LEU 134.A N PRO 131.A O no hydrogen 3.133 N/A LYS 135.A N TRP 132.A O no hydrogen 2.955 N/A ILE 136.A N TRP 132.A O no hydrogen 2.994 N/A GLU 137.A N LYS 133.A O no hydrogen 2.983 N/A GLU 138.A N LEU 134.A O no hydrogen 3.079 N/A GLY 139.A N LYS 135.A O no hydrogen 2.881 N/A ASP 140.A N ILE 136.A O no hydrogen 2.871 N/A LYS 141.A N GLU 137.A O no hydrogen 3.006 N/A VAL 142.A N GLY 139.A O no hydrogen 3.182 N/A LEU 143.A N ASP 140.A O no hydrogen 2.974 N/A GLY 144.A N LYS 141.A O no hydrogen 2.947 N/A LEU 145.A N ASP 140.A O no hydrogen 3.070 N/A ASP 148.A N ASN 146.A OD1 no hydrogen 3.041 N/A PHE 149.A N ASN 146.A O no hydrogen 3.014 N/A TYR 150.A OH ASP 140.A OD2 no hydrogen 2.479 N/A LYS 151.A N SER 147.A O no hydrogen 3.002 N/A LEU 152.A N ASP 148.A O no hydrogen 3.012 N/A THR 153.A N PHE 149.A O no hydrogen 3.110 N/A GLU 154.A N TYR 150.A O no hydrogen 2.885 N/A ASP 155.A N LYS 151.A O no hydrogen 2.751 N/A SER 156.A N LEU 152.A O no hydrogen 2.898 N/A SER 156.A OG LEU 152.A O no hydrogen 2.793 N/A SER 156.A OG THR 153.A O no hydrogen 3.380 N/A LEU 157.A N THR 153.A O no hydrogen 3.097 N/A LEU 157.A N GLU 154.A O no hydrogen 3.249 N/A LYS 158.A N GLU 154.A O no hydrogen 3.012 N/A LYS 158.A NZ ASP 155.A OD1 no hydrogen 3.318 N/A PHE 159.A N ASP 155.A O no hydrogen 3.016 N/A ALA 160.A N SER 156.A O no hydrogen 3.063 N/A PHE 161.A N LEU 157.A O no hydrogen 2.879 N/A GLN 162.A N PHE 159.A O no hydrogen 3.105 N/A GLN 162.A NE2 PHE 159.A O no hydrogen 3.004 N/A LYS 163.A N LYS 158.A O no hydrogen 2.832 N/A ASP 169.A N ASN 167.A OD1 no hydrogen 3.142 N/A ASP 170.A N ASN 167.A O no hydrogen 3.000 N/A VAL 173.A N ASP 170.A OD1 no hydrogen 3.085 N/A LEU 174.A N ASP 170.A O no hydrogen 3.143 N/A LEU 175.A N ASP 171.A O no hydrogen 2.973 N/A GLU 176.A N GLN 172.A O no hydrogen 2.975 N/A CYS 177.A N VAL 173.A O no hydrogen 2.911 N/A CYS 177.A SG VAL 173.A O no hydrogen 3.376 N/A TYR 178.A N LEU 174.A O no hydrogen 2.843 N/A TYR 178.A OH ARG 111.A O no hydrogen 2.663 N/A ASP 179.A N LEU 175.A O no hydrogen 3.069 N/A GLU 180.A N GLU 176.A O no hydrogen 3.023 N/A TYR 181.A N CYS 177.A O no hydrogen 2.814 N/A TYR 181.A OH ALA 15.A O no hydrogen 2.578 N/A TYR 181.A OH CYS 91.A O no hydrogen 3.206 N/A ASN 182.A N TYR 178.A O no hydrogen 3.134 N/A ARG 183.A N ASP 179.A O no hydrogen 2.995 N/A ARG 183.A NE GLU 180.A OE1 no hydrogen 2.894 N/A ARG 183.A NE GLU 180.A OE2 no hydrogen 3.484 N/A ARG 183.A NH1 GLU 187.A OE1 no hydrogen 2.848 N/A ARG 183.A NH2 GLU 180.A OE2 no hydrogen 3.035 N/A ARG 183.A NH2 GLU 187.A OE1 no hydrogen 2.707 N/A LEU 184.A N GLU 180.A O no hydrogen 2.844 N/A VAL 185.A N TYR 181.A O no hydrogen 3.074 N/A GLN 186.A N ASN 182.A O no hydrogen 3.361 N/A GLN 186.A NE2 ASN 182.A O no hydrogen 3.106 N/A GLU 187.A N ARG 183.A O no hydrogen 2.961 N/A THR 188.A N LEU 184.A O no hydrogen 2.794 N/A THR 188.A OG1 LEU 184.A O no hydrogen 2.664 N/A VAL 189.A N VAL 185.A O no hydrogen 2.833 N/A ARG 193.A N PRO 190.A O no hydrogen 2.772 N/A ARG 193.A NE ALA 104.A O no hydrogen 2.799 N/A ARG 193.A NH2 MET 98.A O no hydrogen 3.383 N/A ARG 193.A NH2 ALA 104.A O no hydrogen 2.841 N/A LEU 194.A N SER 191.A O no hydrogen 3.343 N/A LEU 195.A N VAL 106.A O no hydrogen 2.958 N/A LEU 197.A N LEU 108.A O no hydrogen 2.794 N/A ARG 198.A N ASP 201.A OD2 no hydrogen 2.621 N/A ASP 201.A N ARG 198.A O no hydrogen 3.040 N/A TRP 203.A NE1 ILE 218.A O no hydrogen 2.855 N/A CYS 207.A N TRP 203.A O no hydrogen 2.841 N/A CYS 207.A SG TRP 203.A O no hydrogen 3.432 N/A CYS 207.A SG GLU 213.A O no hydrogen 3.908 N/A LYS 208.A N GLU 204.A O no hydrogen 2.939 N/A PHE 209.A N PRO 205.A O no hydrogen 3.191 N/A LEU 210.A N LEU 206.A O no hydrogen 3.040 N/A LEU 210.A N CYS 207.A O no hydrogen 3.191 N/A ASN 211.A N LYS 208.A O no hydrogen 3.131 N/A VAL 212.A N CYS 207.A O no hydrogen 3.092 N/A VAL 223.A N SER 24.A OG no hydrogen 3.060 N/A ASN 224.A N GLN 228.A OE1 no hydrogen 2.853 N/A GLN 228.A N SER 225.A OG no hydrogen 3.093 N/A MET 229.A N SER 225.A O no hydrogen 3.060 N/A THR 230.A N HIS 226.A O no hydrogen 2.843 N/A THR 230.A OG1 HIS 226.A O no hydrogen 3.280 N/A GLN 231.A N HIS 227.A O no hydrogen 3.140 N/A LEU 232.A N GLN 228.A O no hydrogen 2.881 N/A THR 233.A N MET 229.A O no hydrogen 2.877 N/A THR 233.A OG1 MET 229.A O no hydrogen 3.198 N/A GLU 234.A N THR 230.A O no hydrogen 2.975 N/A GLN 235.A N GLN 231.A O no hydrogen 3.017 N/A LEU 236.A N LEU 232.A O no hydrogen 2.926 N/A ILE 237.A N THR 233.A O no hydrogen 3.060 N/A LYS 238.A N GLU 234.A O no hydrogen 2.914 N/A TYR 239.A N GLN 235.A O no hydrogen 2.980 N/A LYS 240.A N LEU 236.A O no hydrogen 2.770 N/A LYS 240.A NZ ILE 237.A O no hydrogen 3.172 N/A ALA 244.A N SER 241.A OG no hydrogen 3.082 N/A ILE 245.A N LEU 242.A O no hydrogen 2.894 N/A MET 248.A N ILE 245.A O no hydrogen 2.927 N/A PHE 249.A N ILE 246.A O no hydrogen 3.286 N/A