Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mkr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ASP 1.A OD1 no hydrogen 2.545 N/A LYS 7.A N LEU 3.A O no hydrogen 3.060 N/A LYS 7.A NZ ASP 1.A OD2 no hydrogen 2.664 N/A LYS 7.A NZ GLU 35.A OE1 no hydrogen 3.447 N/A LYS 7.A NZ GLU 35.A OE2 no hydrogen 3.324 N/A ASN 8.A N PHE 4.A O no hydrogen 2.982 N/A ALA 9.A N ASP 5.A O no hydrogen 2.709 N/A PHE 10.A N VAL 6.A O no hydrogen 3.146 N/A TYR 11.A N LYS 7.A O no hydrogen 2.941 N/A TYR 11.A OH GLU 131.A OE1 no hydrogen 2.594 N/A ILE 12.A N ASN 8.A O no hydrogen 3.114 N/A GLY 13.A N PHE 10.A O no hydrogen 3.025 N/A SER 14.A N ALA 9.A O no hydrogen 2.996 N/A SER 14.A OG ALA 9.A O no hydrogen 3.376 N/A SER 14.A OG GLN 17.A OE1 no hydrogen 3.247 N/A CYS 18.A N SER 14.A O no hydrogen 3.137 N/A CYS 18.A SG VAL 6.A O no hydrogen 3.305 N/A CYS 18.A SG PHE 39.A O no hydrogen 3.985 N/A ILE 19.A N TYR 15.A O no hydrogen 2.792 N/A ASN 20.A N GLN 16.A O no hydrogen 2.753 N/A GLU 21.A N GLN 17.A O no hydrogen 3.036 N/A ALA 22.A N CYS 18.A O no hydrogen 2.827 N/A GLN 23.A N ILE 19.A O no hydrogen 3.291 N/A ARG 24.A N ASN 20.A O no hydrogen 3.246 N/A VAL 25.A N GLU 21.A O no hydrogen 3.008 N/A SER 28.A OG GLU 2.A OE1 no hydrogen 3.060 N/A SER 28.A OG GLU 2.A OE2 no hydrogen 2.872 N/A SER 28.A OG PRO 27.A O no hydrogen 2.611 N/A GLU 31.A N SER 29.A OG no hydrogen 3.214 N/A ASP 33.A N SER 29.A O no hydrogen 2.758 N/A GLU 35.A N GLU 31.A O no hydrogen 2.841 N/A ARG 36.A N ARG 32.A O no hydrogen 2.768 N/A ARG 36.A NE ASP 37.A OD1 no hydrogen 3.487 N/A ARG 36.A NH1 VAL 25.A O no hydrogen 3.154 N/A ARG 36.A NH2 ASP 37.A OD1 no hydrogen 3.251 N/A ASP 37.A N ASP 33.A O no hydrogen 3.124 N/A VAL 38.A N VAL 34.A O no hydrogen 2.903 N/A PHE 39.A N GLU 35.A O no hydrogen 3.205 N/A LEU 40.A N ARG 36.A O no hydrogen 2.855 N/A TYR 41.A N ASP 37.A O no hydrogen 2.967 N/A TYR 41.A OH GLU 56.A OE2 no hydrogen 2.583 N/A ARG 42.A N VAL 38.A O no hydrogen 2.896 N/A ARG 42.A NH2 GLU 131.A OE2 no hydrogen 2.918 N/A ALA 43.A N PHE 39.A O no hydrogen 2.861 N/A TYR 44.A N LEU 40.A O no hydrogen 3.168 N/A LEU 45.A N TYR 41.A O no hydrogen 2.932 N/A ALA 46.A N ARG 42.A O no hydrogen 2.956 N/A GLN 47.A N ALA 43.A O no hydrogen 3.073 N/A GLN 47.A NE2 GLN 16.A OE1 no hydrogen 3.373 N/A ARG 48.A N LEU 45.A O no hydrogen 2.904 N/A LYS 49.A N TYR 44.A O no hydrogen 2.785 N/A LYS 49.A NZ GLN 47.A O no hydrogen 3.150 N/A LEU 54.A N TYR 50.A O no hydrogen 2.875 N/A ASP 55.A N GLY 51.A O no hydrogen 2.887 N/A GLU 56.A N VAL 52.A O no hydrogen 3.068 N/A ILE 57.A N VAL 53.A O no hydrogen 2.989 N/A LYS 58.A N SER 61.A OG no hydrogen 3.240 N/A SER 61.A N LYS 58.A O no hydrogen 2.692 N/A SER 61.A OG LYS 58.A O no hydrogen 2.914 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.874 N/A GLN 66.A N ALA 62.A O no hydrogen 3.013 N/A GLN 66.A NE2 LYS 58.A O no hydrogen 3.018 N/A GLN 66.A NE2 SER 61.A O no hydrogen 2.903 N/A ALA 67.A N PRO 63.A O no hydrogen 3.031 N/A VAL 68.A N GLU 64.A O no hydrogen 3.234 N/A ARG 69.A N LEU 65.A O no hydrogen 2.828 N/A MET 70.A N GLN 66.A O no hydrogen 2.808 N/A PHE 71.A N ALA 67.A O no hydrogen 3.091 N/A ALA 72.A N VAL 68.A O no hydrogen 2.921 N/A GLU 73.A N ARG 69.A O no hydrogen 2.976 N/A TYR 74.A N MET 70.A O no hydrogen 3.095 N/A LEU 75.A N PHE 71.A O no hydrogen 2.793 N/A ALA 76.A N ALA 72.A O no hydrogen 2.849 N/A SER 77.A N GLU 73.A O no hydrogen 2.831 N/A SER 79.A OG SER 77.A OG no hydrogen 3.175 N/A ARG 80.A N SER 77.A OG no hydrogen 3.197 N/A ARG 80.A NH1 GLU 73.A OE2 no hydrogen 3.334 N/A ARG 81.A NE TYR 74.A O no hydrogen 2.728 N/A ARG 81.A NH2 TYR 74.A O no hydrogen 3.322 N/A ARG 81.A NH2 LEU 75.A O no hydrogen 3.353 N/A ILE 84.A N ARG 80.A O no hydrogen 2.996 N/A ILE 84.A N ARG 81.A O no hydrogen 3.012 N/A VAL 85.A N ARG 81.A O no hydrogen 2.913 N/A ALA 86.A N ASP 82.A O no hydrogen 2.986 N/A GLU 87.A N ALA 83.A O no hydrogen 3.182 N/A LEU 88.A N ILE 84.A O no hydrogen 2.722 N/A ASP 89.A N VAL 85.A O no hydrogen 2.622 N/A ARG 90.A N ALA 86.A O no hydrogen 3.008 N/A GLU 91.A N GLU 87.A O no hydrogen 2.796 N/A MET 92.A N LEU 88.A O no hydrogen 2.872 N/A SER 93.A N ASP 89.A O no hydrogen 3.020 N/A SER 93.A N ARG 90.A O no hydrogen 3.240 N/A SER 93.A OG ASP 89.A O no hydrogen 3.128 N/A SER 93.A OG ARG 90.A O no hydrogen 3.525 N/A ARG 94.A N ARG 90.A O no hydrogen 2.613 N/A THR 99.A OG1 ASP 97.A OD1 no hydrogen 3.517 N/A THR 99.A OG1 ASP 97.A OD2 no hydrogen 2.961 N/A ASN 100.A N ASP 97.A OD1 no hydrogen 2.988 N/A THR 101.A OG1 THR 99.A O no hydrogen 3.526 N/A LEU 104.A N ASN 100.A O no hydrogen 3.383 N/A LEU 105.A N THR 101.A O no hydrogen 2.926 N/A MET 106.A N THR 102.A O no hydrogen 2.825 N/A ALA 107.A N PHE 103.A O no hydrogen 2.729 N/A ALA 108.A N LEU 104.A O no hydrogen 2.723 N/A SER 109.A N LEU 105.A O no hydrogen 2.889 N/A SER 109.A OG LEU 105.A O no hydrogen 2.566 N/A ILE 110.A N MET 106.A O no hydrogen 2.937 N/A TYR 111.A N ALA 107.A O no hydrogen 3.002 N/A TYR 111.A OH ASP 89.A OD1 no hydrogen 2.838 N/A PHE 112.A N ALA 108.A O no hydrogen 2.831 N/A TYR 113.A N SER 109.A O no hydrogen 3.075 N/A ASP 114.A N ILE 110.A O no hydrogen 2.840 N/A GLN 115.A N PHE 112.A O no hydrogen 2.878 N/A ASN 116.A N TYR 111.A O no hydrogen 2.910 N/A ALA 120.A N ASN 116.A O no hydrogen 3.122 N/A LEU 121.A N PRO 117.A O no hydrogen 2.846 N/A ARG 122.A N ASP 118.A O no hydrogen 2.762 N/A THR 123.A N ALA 119.A O no hydrogen 2.881 N/A THR 123.A OG1 ALA 119.A O no hydrogen 2.837 N/A LEU 124.A N ALA 120.A O no hydrogen 2.917 N/A HIS 125.A N LEU 121.A O no hydrogen 2.822 N/A GLN 126.A N THR 123.A O no hydrogen 2.895 N/A GLY 127.A N LEU 124.A O no hydrogen 2.843 N/A CYS 132.A N SER 129.A OG no hydrogen 2.934 N/A CYS 132.A SG SER 129.A OG no hydrogen 3.089 N/A MET 133.A N SER 129.A O no hydrogen 3.172 N/A ALA 134.A N LEU 130.A O no hydrogen 3.083 N/A MET 135.A N GLU 131.A O no hydrogen 2.843 N/A THR 136.A N CYS 132.A O no hydrogen 2.986 N/A THR 136.A OG1 CYS 132.A O no hydrogen 2.851 N/A VAL 137.A N MET 133.A O no hydrogen 2.836 N/A GLN 138.A N ALA 134.A O no hydrogen 2.900 N/A ILE 139.A N MET 135.A O no hydrogen 3.011 N/A LEU 140.A N THR 136.A O no hydrogen 2.971 N/A LEU 141.A N VAL 137.A O no hydrogen 3.003 N/A LYS 142.A N GLN 138.A O no hydrogen 3.029 N/A LEU 143.A N ILE 139.A O no hydrogen 2.972 N/A LEU 143.A N LEU 140.A O no hydrogen 3.042 N/A ASP 144.A N LEU 141.A O no hydrogen 2.860 N/A ARG 145.A N LEU 140.A O no hydrogen 3.149 N/A ARG 145.A NH1 ASP 147.A OD1 no hydrogen 2.705 N/A LEU 148.A N ASP 147.A OD2 no hydrogen 2.654 N/A ALA 149.A N ARG 145.A O no hydrogen 3.076 N/A ARG 150.A N LEU 146.A O no hydrogen 2.811 N/A LYS 151.A N ASP 147.A O no hydrogen 3.308 N/A GLU 152.A N LEU 148.A O no hydrogen 3.284 N/A LEU 153.A N ALA 149.A O no hydrogen 2.966 N/A LYS 154.A N ARG 150.A O no hydrogen 3.092 N/A LYS 155.A N LYS 151.A O no hydrogen 3.105 N/A LYS 155.A NZ GLU 152.A OE2 no hydrogen 2.961 N/A MET 156.A N GLU 152.A O no hydrogen 3.030 N/A GLN 157.A N LEU 153.A O no hydrogen 2.532 N/A ASP 158.A N LYS 154.A O no hydrogen 2.757 N/A ASP 160.A N MET 156.A O no hydrogen 2.971 N/A ALA 163.A N ASP 160.A O no hydrogen 3.352 N/A THR 166.A N ALA 163.A O no hydrogen 2.869 N/A THR 166.A OG1 MET 156.A O no hydrogen 3.542 N/A THR 166.A OG1 ASP 160.A O no hydrogen 2.909 N/A GLN 167.A N ALA 163.A O no hydrogen 2.957 N/A GLN 167.A NE2 GLU 161.A O no hydrogen 2.728 N/A LEU 168.A N THR 164.A O no hydrogen 2.899 N/A ALA 169.A N LEU 165.A O no hydrogen 3.123 N/A THR 170.A N THR 166.A O no hydrogen 2.932 N/A THR 170.A OG1 THR 166.A O no hydrogen 3.034 N/A THR 170.A OG1 GLN 167.A O no hydrogen 2.382 N/A ALA 171.A N GLN 167.A O no hydrogen 3.024 N/A TRP 172.A N LEU 168.A O no hydrogen 3.047 N/A VAL 173.A N ALA 169.A O no hydrogen 3.095 N/A SER 174.A N THR 170.A O no hydrogen 2.862 N/A SER 174.A OG THR 170.A O no hydrogen 2.572 N/A LEU 175.A N ALA 171.A O no hydrogen 2.862 N/A ALA 176.A N TRP 172.A O no hydrogen 3.024 N/A ALA 177.A N VAL 173.A O no hydrogen 2.845 N/A GLY 178.A N SER 174.A O no hydrogen 3.078 N/A LEU 182.A N GLY 179.A O no hydrogen 3.067 N/A GLN 183.A N GLU 180.A O no hydrogen 3.065 N/A ALA 185.A N LYS 181.A O no hydrogen 3.093 N/A TYR 186.A N LEU 182.A O no hydrogen 2.957 N/A TYR 186.A OH GLN 190.A OE1 no hydrogen 2.741 N/A TYR 187.A N GLN 183.A O no hydrogen 2.998 N/A ILE 188.A N ASP 184.A O no hydrogen 3.090 N/A PHE 189.A N ALA 185.A O no hydrogen 3.117 N/A GLN 190.A N TYR 186.A O no hydrogen 2.882 N/A GLU 191.A N TYR 187.A O no hydrogen 2.784 N/A MET 192.A N ILE 188.A O no hydrogen 3.001 N/A ALA 193.A N PHE 189.A O no hydrogen 3.125 N/A ASP 194.A N GLN 190.A O no hydrogen 2.977 N/A LYS 195.A N GLU 191.A O no hydrogen 2.851 N/A CYS 196.A N MET 192.A O no hydrogen 2.847 N/A THR 199.A N SER 197.A O no hydrogen 2.980 N/A THR 199.A OG1 ILE 12.A O no hydrogen 2.598 N/A LEU 202.A N THR 199.A OG1 no hydrogen 2.945 N/A LEU 203.A N THR 199.A O no hydrogen 2.833 N/A ASN 204.A N LEU 200.A O no hydrogen 3.149 N/A ASN 204.A ND2 LEU 200.A O no hydrogen 2.921 N/A ASN 204.A ND2 THR 236.A OG1 no hydrogen 3.046 N/A GLY 205.A N LEU 201.A O no hydrogen 3.123 N/A GLN 206.A N LEU 202.A O no hydrogen 3.034 N/A GLN 206.A NE2 PHE 189.A O no hydrogen 3.510 N/A ALA 207.A N LEU 203.A O no hydrogen 2.967 N/A ALA 208.A N ASN 204.A O no hydrogen 2.847 N/A CYS 209.A N GLY 205.A O no hydrogen 3.100 N/A CYS 209.A SG GLY 205.A O no hydrogen 3.310 N/A HIS 210.A N GLN 206.A O no hydrogen 2.976 N/A MET 211.A N ALA 207.A O no hydrogen 2.954 N/A ALA 212.A N ALA 208.A O no hydrogen 2.883 N/A GLN 213.A N CYS 209.A O no hydrogen 3.480 N/A GLN 213.A NE2 GLN 183.A OE1 no hydrogen 2.968 N/A ARG 215.A N HIS 210.A O no hydrogen 3.135 N/A ARG 215.A NH1 GLN 183.A OE1 no hydrogen 2.875 N/A ARG 215.A NH1 GLN 213.A OE1 no hydrogen 2.484 N/A ALA 218.A N ARG 215.A O no hydrogen 3.145 N/A ALA 219.A N ARG 215.A O no hydrogen 3.321 N/A ALA 219.A N TRP 216.A O no hydrogen 3.172 N/A GLU 220.A N TRP 216.A O no hydrogen 3.333 N/A LEU 223.A N ALA 219.A O no hydrogen 3.117 N/A GLN 224.A N GLU 220.A O no hydrogen 2.880 N/A GLU 225.A N GLY 221.A O no hydrogen 2.915 N/A ALA 226.A N VAL 222.A O no hydrogen 2.922 N/A LEU 227.A N LEU 223.A O no hydrogen 2.850 N/A ASP 228.A N GLN 224.A O no hydrogen 2.831 N/A LYS 229.A N ALA 226.A O no hydrogen 2.815 N/A LYS 229.A NZ PRO 198.A O no hydrogen 2.606 N/A ASP 230.A N ALA 226.A O no hydrogen 3.124 N/A ASP 230.A N LEU 227.A O no hydrogen 3.160 N/A HIS 233.A N ASP 230.A O no hydrogen 3.346 N/A LEU 237.A N HIS 233.A O no hydrogen 3.097 N/A ILE 238.A N PRO 234.A O no hydrogen 2.954 N/A ASN 239.A N GLU 235.A O no hydrogen 2.888 N/A LEU 240.A N THR 236.A O no hydrogen 2.771 N/A VAL 241.A N LEU 237.A O no hydrogen 2.890 N/A VAL 242.A N ILE 238.A O no hydrogen 3.055 N/A LEU 243.A N ASN 239.A O no hydrogen 2.773 N/A SER 244.A N LEU 240.A O no hydrogen 2.727 N/A SER 244.A OG LEU 240.A O no hydrogen 2.788 N/A GLN 245.A N VAL 241.A O no hydrogen 3.420 N/A HIS 246.A N VAL 242.A O no hydrogen 3.342 N/A LEU 247.A N LEU 243.A O no hydrogen 3.003 N/A LEU 247.A N SER 244.A O no hydrogen 3.241 N/A GLY 248.A N GLN 245.A O no hydrogen 3.373 N/A LYS 249.A N SER 244.A O no hydrogen 3.035 N/A VAL 253.A N PRO 250.A O no hydrogen 2.598 N/A ASN 255.A N PRO 251.A O no hydrogen 3.223 N/A ARG 256.A N GLU 252.A O no hydrogen 2.747 N/A TYR 257.A N VAL 253.A O no hydrogen 3.133 N/A LEU 258.A N THR 254.A O no hydrogen 3.086 N/A SER 259.A N ASN 255.A O no hydrogen 2.851 N/A SER 259.A OG ASN 255.A O no hydrogen 3.426 N/A GLN 260.A N ARG 256.A O no hydrogen 2.772 N/A LEU 261.A N TYR 257.A O no hydrogen 3.064 N/A LEU 261.A N LEU 258.A O no hydrogen 3.020 N/A LYS 262.A N LEU 258.A O no hydrogen 3.216 N/A ASP 263.A N SER 259.A O no hydrogen 3.016 N/A ALA 264.A N GLN 260.A O no hydrogen 3.089 N/A HIS 265.A N LEU 261.A O no hydrogen 2.855 N/A HIS 268.A N HIS 265.A O no hydrogen 2.916 N/A ILE 271.A N HIS 268.A O no hydrogen 2.891 N/A LYS 272.A N HIS 268.A O no hydrogen 2.985 N/A GLU 273.A N PRO 269.A O no hydrogen 2.932 N/A TYR 274.A N PHE 270.A O no hydrogen 3.127 N/A ARG 275.A N ILE 271.A O no hydrogen 3.006 N/A ARG 275.A NH1 ARG 266.A O no hydrogen 3.263 N/A ARG 275.A NH2 ARG 266.A O no hydrogen 3.240 N/A ALA 276.A N LYS 272.A O no hydrogen 2.854 N/A LYS 277.A N GLU 273.A O no hydrogen 2.834 N/A GLU 278.A N TYR 274.A O no hydrogen 2.979 N/A ASN 279.A N ARG 275.A O no hydrogen 2.957 N/A ASP 280.A N ALA 276.A O no hydrogen 3.083 N/A PHE 281.A N LYS 277.A O no hydrogen 3.186 N/A ASP 282.A N GLU 278.A O no hydrogen 3.138 N/A ARG 283.A N ASN 279.A O no hydrogen 2.968 N/A LEU 284.A N ASP 280.A O no hydrogen 2.801 N/A VAL 285.A N PHE 281.A O no hydrogen 2.705 N/A LEU 286.A N ASP 282.A O no hydrogen 3.197 N/A GLN 287.A N ARG 283.A O no hydrogen 3.271 N/A TYR 288.A N LEU 284.A O no hydrogen 3.162 N/A TYR 288.A N VAL 285.A O no hydrogen 3.090 N/A ALA 289.A N VAL 285.A O no hydrogen 2.740 N/A