Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4xsm_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ASP 240.A OD1 no hydrogen 2.445 N/A ASN 2.A ND2 GLY 241.A O no hydrogen 2.725 N/A VAL 4.A N ASP 32.A OD2 no hydrogen 3.127 N/A GLY 5.A N ILE 243.A O no hydrogen 2.666 N/A MET 6.A N LEU 33.A O no hydrogen 3.090 N/A PHE 7.A N MET 245.A O no hydrogen 3.035 N/A TYR 8.A N GLU 35.A O no hydrogen 3.000 N/A TYR 8.A OH TRP 15.A O no hydrogen 2.573 N/A TYR 10.A OH MET 274.A O no hydrogen 2.588 N/A SER 12.A OG GLU 14.A O no hydrogen 2.934 N/A GLU 14.A N SER 12.A OG no hydrogen 3.132 N/A THR 22.A N ASP 18.A O no hydrogen 2.677 N/A THR 22.A OG1 ASP 18.A O no hydrogen 2.797 N/A ALA 23.A N PHE 19.A O no hydrogen 2.785 N/A LYS 24.A N PRO 20.A O no hydrogen 2.922 N/A ARG 25.A N ALA 21.A O no hydrogen 2.936 N/A ARG 25.A NE ASP 275.A OD1 no hydrogen 2.854 N/A ARG 25.A NH2 GLU 272.A OE2 no hydrogen 3.392 N/A ARG 25.A NH2 ASP 275.A OD1 no hydrogen 3.453 N/A ARG 25.A NH2 ASP 275.A OD2 no hydrogen 2.665 N/A ILE 26.A N THR 22.A O no hydrogen 3.114 N/A ALA 27.A N ALA 23.A O no hydrogen 3.049 N/A GLY 28.A N LYS 24.A O no hydrogen 2.983 N/A LEU 29.A N ILE 26.A O no hydrogen 2.828 N/A GLY 30.A N ALA 27.A O no hydrogen 2.962 N/A PHE 31.A N ILE 26.A O no hydrogen 3.342 N/A ASP 32.A N VAL 4.A O no hydrogen 3.351 N/A MET 34.A N THR 62.A O no hydrogen 3.078 N/A GLU 35.A N MET 6.A O no hydrogen 3.187 N/A ILE 36.A N MET 64.A O no hydrogen 2.922 N/A LEU 38.A N SER 66.A O no hydrogen 3.171 N/A GLY 39.A N SER 37.A OG no hydrogen 3.218 N/A HIS 42.A N LEU 38.A O no hydrogen 2.815 N/A HIS 42.A ND1 ASP 96.A OD2 no hydrogen 2.569 N/A ASN 43.A N GLU 40.A O no hydrogen 3.071 N/A LEU 44.A N PHE 41.A O no hydrogen 2.813 N/A LYS 48.A N SER 45.A OG no hydrogen 3.282 N/A LYS 49.A N SER 45.A O no hydrogen 2.712 N/A LYS 49.A NZ HIS 42.A O no hydrogen 3.094 N/A LYS 49.A NZ ASP 96.A OD1 no hydrogen 2.805 N/A ARG 50.A N ASP 46.A O no hydrogen 2.593 N/A GLU 51.A N ALA 47.A O no hydrogen 3.081 N/A GLU 51.A N LYS 48.A O no hydrogen 2.821 N/A LEU 52.A N LYS 48.A O no hydrogen 3.381 N/A LEU 52.A N LYS 49.A O no hydrogen 3.263 N/A LYS 53.A NZ ASP 57.A OD1 no hydrogen 2.449 N/A LYS 53.A NZ ASP 57.A OD2 no hydrogen 2.883 N/A ALA 54.A N ARG 50.A O no hydrogen 2.877 N/A VAL 55.A N GLU 51.A O no hydrogen 2.953 N/A ALA 56.A N LEU 52.A O no hydrogen 2.898 N/A ASP 57.A N LYS 53.A O no hydrogen 2.977 N/A ASP 58.A N ALA 54.A O no hydrogen 3.023 N/A LEU 59.A N VAL 55.A O no hydrogen 3.211 N/A LEU 59.A N ALA 56.A O no hydrogen 2.900 N/A GLY 60.A N ALA 56.A O no hydrogen 2.595 N/A LEU 61.A N ALA 56.A O no hydrogen 2.862 N/A THR 62.A N ASP 32.A O no hydrogen 2.896 N/A MET 64.A N MET 34.A O no hydrogen 2.983 N/A CYS 65.A N VAL 104.A O no hydrogen 3.116 N/A SER 66.A N ILE 36.A O no hydrogen 3.022 N/A SER 66.A OG GLU 35.A OE2 no hydrogen 2.700 N/A ILE 67.A N ALA 106.A O no hydrogen 2.888 N/A LEU 69.A N LEU 108.A O no hydrogen 3.178 N/A TYR 73.A N LYS 70.A O no hydrogen 2.641 N/A ASP 74.A N SER 71.A O no hydrogen 3.291 N/A ALA 76.A N ASP 74.A OD1 no hydrogen 2.877 N/A SER 77.A OG ASP 79.A O no hydrogen 3.481 N/A ASP 79.A N SER 77.A OG no hydrogen 2.926 N/A LYS 80.A NZ ASP 84.A OD2 no hydrogen 2.728 N/A SER 81.A N ASP 79.A OD1 no hydrogen 3.000 N/A SER 81.A OG ASP 79.A OD1 no hydrogen 2.991 N/A ARG 83.A N ASP 79.A O no hydrogen 3.219 N/A ARG 83.A NH2 SER 77.A O no hydrogen 2.765 N/A ASP 84.A N LYS 80.A O no hydrogen 3.043 N/A ALA 85.A N SER 81.A O no hydrogen 2.912 N/A GLY 86.A N VAL 82.A O no hydrogen 2.912 N/A THR 87.A N ARG 83.A O no hydrogen 3.010 N/A THR 87.A OG1 ARG 83.A O no hydrogen 2.994 N/A THR 87.A OG1 ASP 84.A O no hydrogen 3.246 N/A GLU 88.A N ASP 84.A O no hydrogen 3.206 N/A TYR 89.A N ALA 85.A O no hydrogen 3.268 N/A VAL 90.A N GLY 86.A O no hydrogen 2.906 N/A LYS 91.A N THR 87.A O no hydrogen 3.119 N/A LYS 91.A NZ GLU 88.A OE1 no hydrogen 3.215 N/A ARG 92.A N GLU 88.A O no hydrogen 3.264 N/A LEU 93.A N TYR 89.A O no hydrogen 3.206 N/A LEU 94.A N VAL 90.A O no hydrogen 2.877 N/A ASP 95.A N ARG 92.A O no hydrogen 2.794 N/A ASP 96.A N ARG 92.A O no hydrogen 3.186 N/A CYS 97.A N LEU 93.A O no hydrogen 2.977 N/A CYS 97.A SG LEU 93.A O no hydrogen 3.522 N/A HIS 98.A N LEU 94.A O no hydrogen 3.238 N/A LEU 99.A N ASP 95.A O no hydrogen 2.913 N/A LEU 100.A N ASP 96.A O no hydrogen 2.937 N/A GLY 101.A N HIS 98.A O no hydrogen 2.943 N/A ALA 102.A N CYS 97.A O no hydrogen 2.795 N/A PHE 105.A N ILE 148.A O no hydrogen 2.865 N/A ALA 106.A N CYS 65.A O no hydrogen 2.823 N/A GLY 107.A N GLN 183.A OE1 no hydrogen 3.210 N/A THR 109.A OG1 GLY 107.A O no hydrogen 3.478 N/A THR 109.A OG1 ALA 150.A O no hydrogen 2.809 N/A TRP 113.A N LEU 69.A O no hydrogen 2.841 N/A TRP 113.A NE1 GLU 158.A OE1 no hydrogen 2.802 N/A GLN 115.A N GLU 158.A O no hydrogen 2.789 N/A GLN 115.A NE2 ASP 74.A OD2 no hydrogen 2.965 N/A MET 121.A N PRO 118.A O no hydrogen 2.945 N/A LYS 124.A NZ TRP 160.A O no hydrogen 3.096 N/A LYS 124.A NZ LEU 161.A O no hydrogen 2.963 N/A LYS 124.A NZ GLU 167.A OE2 no hydrogen 2.896 N/A ARG 125.A N ASP 123.A OD1 no hydrogen 3.027 N/A ARG 125.A NE ASP 129.A OD1 no hydrogen 3.016 N/A ARG 125.A NH1 ASP 129.A OD1 no hydrogen 2.994 N/A VAL 128.A N LYS 124.A O no hydrogen 2.935 N/A ASP 129.A N ARG 125.A O no hydrogen 2.804 N/A ARG 130.A N PRO 126.A O no hydrogen 2.926 N/A ARG 130.A NE ALA 76.A O no hydrogen 2.884 N/A ARG 130.A NE SER 77.A O no hydrogen 3.185 N/A ARG 130.A NH2 ALA 76.A O no hydrogen 2.969 N/A ALA 131.A N TYR 127.A O no hydrogen 2.932 N/A ILE 132.A N VAL 128.A O no hydrogen 2.960 N/A GLU 133.A N ASP 129.A O no hydrogen 2.795 N/A SER 134.A N ARG 130.A O no hydrogen 2.627 N/A SER 134.A OG PHE 75.A O no hydrogen 2.928 N/A SER 134.A OG ARG 130.A O no hydrogen 3.099 N/A VAL 135.A N ALA 131.A O no hydrogen 2.822 N/A ARG 136.A N ILE 132.A O no hydrogen 3.001 N/A ARG 136.A NH1 ALA 174.A O no hydrogen 3.180 N/A ARG 137.A N SER 134.A O no hydrogen 3.152 N/A ARG 137.A NH2 ASP 84.A OD1 no hydrogen 3.101 N/A VAL 138.A N VAL 135.A O no hydrogen 3.281 N/A ILE 139.A N VAL 135.A O no hydrogen 2.986 N/A LYS 140.A NZ ASP 144.A OD1 no hydrogen 2.630 N/A LYS 140.A NZ ASP 144.A OD2 no hydrogen 2.972 N/A VAL 141.A N VAL 138.A O no hydrogen 3.088 N/A GLU 143.A N ILE 139.A O no hydrogen 2.915 N/A ASP 144.A N LYS 140.A O no hydrogen 2.782 N/A TYR 145.A N VAL 141.A O no hydrogen 2.977 N/A TYR 145.A OH ASP 95.A OD1 no hydrogen 2.389 N/A GLY 146.A N GLU 143.A O no hydrogen 3.233 N/A ILE 147.A N ALA 142.A O no hydrogen 3.034 N/A ILE 148.A N PRO 103.A O no hydrogen 2.981 N/A TYR 149.A N ALA 179.A O no hydrogen 2.768 N/A TYR 149.A OH THR 109.A O no hydrogen 2.841 N/A ALA 150.A N PHE 105.A O no hydrogen 3.056 N/A LEU 151.A N LYS 181.A O no hydrogen 2.956 N/A GLU 152.A N GLY 107.A O no hydrogen 3.135 N/A VAL 153.A N GLN 183.A O no hydrogen 3.029 N/A ASN 155.A N HIS 188.A ND1 no hydrogen 3.138 N/A ASN 155.A ND2 GLU 158.A OE2 no hydrogen 3.006 N/A ASN 155.A ND2 HIS 188.A ND1 no hydrogen 2.808 N/A ARG 156.A N GLU 192.A OE2 no hydrogen 2.595 N/A ARG 156.A NE GLU 192.A OE1 no hydrogen 3.392 N/A ARG 156.A NE GLU 192.A OE2 no hydrogen 3.217 N/A ARG 156.A NH2 GLU 192.A OE1 no hydrogen 3.222 N/A PHE 157.A N ASN 155.A OD1 no hydrogen 3.146 N/A GLU 158.A N ASN 155.A O no hydrogen 2.847 N/A GLN 159.A N ASN 155.A O no hydrogen 3.149 N/A GLN 159.A NE2 ALA 112.A O no hydrogen 2.664 N/A GLN 159.A NE2 GLN 115.A OE1 no hydrogen 3.630 N/A TRP 160.A N GLN 159.A OE1 no hydrogen 2.577 N/A TRP 160.A NE1 GLN 115.A OE1 no hydrogen 2.914 N/A LEU 161.A N GLN 159.A OE1 no hydrogen 2.931 N/A CYS 162.A SG GLU 167.A O no hydrogen 3.613 N/A ASN 163.A N GLU 167.A OE1 no hydrogen 2.970 N/A ASN 163.A ND2 VAL 154.A O no hydrogen 3.233 N/A ASN 163.A ND2 GLN 159.A O no hydrogen 2.765 N/A ALA 165.A N GLU 193.A OE1 no hydrogen 2.626 N/A GLU 167.A N ASP 164.A OD1 no hydrogen 2.777 N/A ALA 168.A N ASP 164.A O no hydrogen 2.974 N/A ILE 169.A N ALA 165.A O no hydrogen 2.689 N/A ALA 170.A N LYS 166.A O no hydrogen 3.002 N/A PHE 171.A N GLU 167.A O no hydrogen 3.121 N/A ALA 172.A N ALA 168.A O no hydrogen 2.928 N/A ASP 173.A N ILE 169.A O no hydrogen 2.812 N/A ALA 174.A N ALA 170.A O no hydrogen 3.281 N/A ALA 174.A N PHE 171.A O no hydrogen 3.158 N/A VAL 175.A N PHE 171.A O no hydrogen 3.297 N/A VAL 175.A N ALA 172.A O no hydrogen 3.058 N/A ASP 176.A N ALA 172.A O no hydrogen 3.320 N/A SER 177.A OG GLU 143.A OE1 no hydrogen 2.796 N/A ALA 179.A N SER 177.A OG no hydrogen 2.947 N/A CYS 180.A N SER 177.A O no hydrogen 3.149 N/A LYS 181.A N TYR 149.A O no hydrogen 3.120 N/A LYS 181.A NZ GLY 205.A O no hydrogen 3.016 N/A VAL 182.A N LYS 206.A O no hydrogen 2.770 N/A GLN 183.A N LEU 151.A O no hydrogen 2.677 N/A THR 186.A N HIS 211.A O no hydrogen 3.049 N/A THR 186.A OG1 GLY 213.A O no hydrogen 2.887 N/A PHE 187.A N ASP 185.A OD1 no hydrogen 2.736 N/A HIS 188.A N ASP 185.A OD1 no hydrogen 3.414 N/A MET 189.A N ASP 185.A O no hydrogen 2.591 N/A ASN 190.A N THR 186.A O no hydrogen 2.908 N/A ILE 191.A N HIS 188.A O no hydrogen 3.083 N/A GLU 192.A N HIS 188.A O no hydrogen 3.180 N/A GLU 193.A N MET 189.A O no hydrogen 3.089 N/A ARG 197.A N GLU 229.A OE2 no hydrogen 2.645 N/A ASP 198.A N SER 195.A OG no hydrogen 3.069 N/A ALA 199.A N SER 195.A O no hydrogen 3.195 N/A ILE 200.A N PHE 196.A O no hydrogen 3.036 N/A LEU 201.A N ARG 197.A O no hydrogen 2.873 N/A ALA 202.A N ASP 198.A O no hydrogen 3.058 N/A CYS 203.A N ILE 200.A O no hydrogen 3.003 N/A CYS 203.A SG ALA 199.A O no hydrogen 3.374 N/A LYS 204.A N LEU 201.A O no hydrogen 3.369 N/A LYS 206.A N CYS 203.A O no hydrogen 2.844 N/A LYS 206.A NZ ASP 173.A OD1 no hydrogen 2.850 N/A GLY 208.A N VAL 182.A O no hydrogen 2.578 N/A HIS 209.A ND1 THR 242.A OG1 no hydrogen 2.730 N/A HIS 209.A NE2 GLU 35.A OE1 no hydrogen 2.976 N/A HIS 211.A N LEU 184.A O no hydrogen 3.145 N/A HIS 211.A NE2 GLU 35.A OE1 no hydrogen 2.633 N/A LEU 212.A N VAL 244.A O no hydrogen 2.850 N/A GLY 213.A N THR 186.A OG1 no hydrogen 2.961 N/A GLU 214.A N LEU 218.A O no hydrogen 2.767 N/A ARG 217.A N GLU 214.A O no hydrogen 3.032 N/A GLY 221.A N GLU 214.A OE2 no hydrogen 2.818 N/A GLU 222.A N PRO 219.A O no hydrogen 3.063 N/A LEU 225.A N GLU 214.A OE1 no hydrogen 3.392 N/A TRP 227.A N LEU 225.A O no hydrogen 2.861 N/A TRP 227.A NE1 GLU 214.A OE2 no hydrogen 2.714 N/A ILE 230.A N PRO 226.A O no hydrogen 3.004 N/A PHE 231.A N TRP 227.A O no hydrogen 3.013 N/A GLY 232.A N ASP 228.A O no hydrogen 2.976 N/A ALA 233.A N ILE 230.A O no hydrogen 3.160 N/A LEU 234.A N ILE 230.A O no hydrogen 3.319 N/A LYS 235.A N PHE 231.A O no hydrogen 3.122 N/A GLU 236.A N GLY 232.A O no hydrogen 3.170 N/A ILE 237.A N ALA 233.A O no hydrogen 2.950 N/A GLY 238.A N LYS 235.A O no hydrogen 2.879 N/A TYR 239.A N LEU 234.A O no hydrogen 2.693 N/A TYR 239.A OH THR 242.A O no hydrogen 2.419 N/A THR 242.A OG1 HIS 209.A ND1 no hydrogen 2.730 N/A ILE 243.A N LYS 3.A O no hydrogen 2.990 N/A VAL 244.A N PHE 210.A O no hydrogen 3.014 N/A MET 245.A N GLY 5.A O no hydrogen 3.075 N/A GLU 246.A N LEU 212.A O no hydrogen 2.800 N/A PHE 248.A N ARG 217.A O no hydrogen 3.048 N/A ARG 250.A NH1 TRP 11.A O no hydrogen 2.529 N/A ARG 250.A NH1 ASP 271.A OD1 no hydrogen 3.244 N/A ARG 250.A NH2 ALA 269.A O no hydrogen 3.205 N/A ARG 250.A NH2 ASP 271.A OD1 no hydrogen 3.257 N/A GLY 253.A N SER 256.A OG no hydrogen 2.889 N/A SER 254.A N GLU 14.A OE2 no hydrogen 2.849 N/A SER 254.A OG GLU 14.A OE1 no hydrogen 2.602 N/A SER 254.A OG GLU 14.A OE2 no hydrogen 3.278 N/A VAL 255.A N THR 13.A O no hydrogen 2.862 N/A SER 256.A OG ARG 250.A O no hydrogen 2.624 N/A ARG 257.A N GLY 253.A O no hydrogen 2.992 N/A ALA 258.A N SER 254.A O no hydrogen 3.182 N/A VAL 259.A N VAL 255.A O no hydrogen 2.881 N/A GLY 260.A N ARG 257.A O no hydrogen 3.290 N/A VAL 261.A N SER 256.A O no hydrogen 2.813 N/A MET 265.A N MET 249.A O no hydrogen 3.019 N/A SER 266.A N ASP 264.A OD1 no hydrogen 3.436 N/A SER 266.A OG ASP 264.A OD1 no hydrogen 2.727 N/A SER 266.A OG ASP 264.A OD2 no hydrogen 3.331 N/A GLY 268.A N ASP 264.A OD2 no hydrogen 2.875 N/A ALA 269.A N SER 266.A O no hydrogen 3.313 N/A THR 270.A N GLU 273.A OE1 no hydrogen 2.868 N/A THR 270.A OG1 GLU 273.A OE1 no hydrogen 3.108 N/A GLU 273.A N THR 270.A OG1 no hydrogen 3.122 N/A MET 274.A N THR 270.A O no hydrogen 2.891 N/A ASP 275.A N ASP 271.A O no hydrogen 2.977 N/A GLU 276.A N GLU 272.A O no hydrogen 3.153 N/A ARG 277.A N GLU 273.A O no hydrogen 3.221 N/A ARG 277.A NE GLU 222.A OE2 no hydrogen 3.017 N/A ARG 277.A NH2 GLU 222.A OE1 no hydrogen 2.633 N/A ARG 277.A NH2 GLU 222.A OE2 no hydrogen 3.360 N/A ALA 278.A N MET 274.A O no hydrogen 3.012 N/A ARG 279.A N ASP 275.A O no hydrogen 2.913 N/A ARG 280.A N GLU 276.A O no hydrogen 3.070 N/A SER 281.A N ARG 277.A O no hydrogen 3.215 N/A SER 281.A OG PRO 220.A O no hydrogen 2.938 N/A LEU 282.A N ALA 278.A O no hydrogen 2.781 N/A GLN 283.A N ARG 279.A O no hydrogen 2.919 N/A PHE 284.A N ARG 280.A O no hydrogen 2.953 N/A VAL 285.A N SER 281.A O no hydrogen 3.004 N/A ARG 286.A N LEU 282.A O no hydrogen 3.158 N/A ARG 286.A NH2 GLY 30.A O no hydrogen 2.749 N/A ARG 286.A NH2 ASP 32.A OD1 no hydrogen 2.999 N/A ARG 286.A NH2 ASP 32.A OD2 no hydrogen 3.366 N/A ASP 287.A N GLN 283.A O no hydrogen 3.109 N/A LYS 288.A N PHE 284.A O no hydrogen 3.206 N/A LYS 288.A NZ ASP 228.A OD1 no hydrogen 3.006 N/A LYS 288.A NZ SER 292.A O no hydrogen 3.485 N/A LEU 289.A N VAL 285.A O no hydrogen 2.900 N/A ALA 290.A N ARG 286.A O no hydrogen 2.787 N/A GLY 291.A N LYS 288.A O no hydrogen 2.858 N/A ARG 293.A NH1 ASP 228.A OD1 no hydrogen 3.473 N/A