Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4rie_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N HIS 29.A ND1 no hydrogen 3.004 N/A LYS 2.A N ASP 109.A OD2 no hydrogen 2.780 N/A ILE 3.A N ASP 30.A O no hydrogen 2.875 N/A LEU 4.A N LEU 110.A O no hydrogen 3.121 N/A PHE 5.A N PHE 32.A O no hydrogen 2.816 N/A VAL 6.A N VAL 112.A O no hydrogen 2.745 N/A ALA 7.A N GLY 34.A O no hydrogen 3.006 N/A SER 8.A OG SER 117.A OG no hydrogen 3.115 N/A ALA 12.A N SER 10.A OG no hydrogen 3.248 N/A THR 13.A N SER 10.A O no hydrogen 3.007 N/A THR 13.A OG1 SER 10.A O no hydrogen 2.721 N/A PHE 15.A N PRO 11.A O no hydrogen 3.008 N/A ALA 16.A N ALA 12.A O no hydrogen 2.895 N/A LEU 17.A N THR 13.A O no hydrogen 3.093 N/A LEU 17.A N VAL 14.A O no hydrogen 3.110 N/A ALA 18.A N VAL 14.A O no hydrogen 2.838 N/A ALA 21.A N LEU 17.A O no hydrogen 3.083 N/A THR 22.A N ALA 18.A O no hydrogen 2.700 N/A THR 22.A OG1 ALA 18.A O no hydrogen 2.912 N/A ALA 23.A N PRO 19.A O no hydrogen 2.915 N/A ALA 24.A N LEU 20.A O no hydrogen 2.948 N/A ARG 25.A N ALA 21.A O no hydrogen 2.976 N/A ASN 26.A N THR 22.A O no hydrogen 2.955 N/A ALA 27.A N ALA 23.A O no hydrogen 3.036 N/A ALA 27.A N ALA 24.A O no hydrogen 3.234 N/A GLY 28.A N ARG 25.A O no hydrogen 2.851 N/A HIS 29.A N ALA 24.A O no hydrogen 3.173 N/A HIS 29.A NE2 GLU 350.A OE2 no hydrogen 2.716 N/A ASP 30.A N MET 1.A O no hydrogen 2.969 N/A PHE 32.A N ILE 3.A O no hydrogen 3.147 N/A MET 33.A N PRO 49.A O no hydrogen 2.933 N/A GLY 34.A N PHE 5.A O no hydrogen 2.791 N/A ALA 35.A N LEU 51.A O no hydrogen 3.016 N/A GLU 37.A N ALA 54.A O no hydrogen 2.829 N/A MET 39.A N VAL 36.A O no hydrogen 2.883 N/A VAL 40.A N GLU 37.A O no hydrogen 3.228 N/A ILE 43.A N MET 39.A O no hydrogen 3.309 N/A ALA 44.A N VAL 40.A O no hydrogen 3.056 N/A SER 45.A N PRO 41.A O no hydrogen 2.942 N/A SER 45.A OG PRO 41.A O no hydrogen 3.449 N/A SER 45.A OG TYR 42.A O no hydrogen 3.387 N/A ALA 46.A N TYR 42.A O no hydrogen 3.365 N/A GLY 47.A N ALA 44.A O no hydrogen 2.670 N/A LEU 51.A N MET 33.A O no hydrogen 2.827 N/A SER 52.A OG GLU 37.A OE1 no hydrogen 3.151 N/A SER 52.A OG ALA 54.A O no hydrogen 3.367 N/A ILE 53.A N ALA 35.A O no hydrogen 2.877 N/A ILE 58.A N PRO 55.A O no hydrogen 3.067 N/A ARG 59.A N SER 56.A O no hydrogen 3.177 N/A ARG 59.A NH1 ASP 38.A OD1 no hydrogen 2.762 N/A ARG 59.A NH1 ASP 38.A OD2 no hydrogen 2.692 N/A ARG 59.A NH2 GLY 9.A O no hydrogen 3.416 N/A ARG 59.A NH2 ASP 38.A OD1 no hydrogen 3.292 N/A ARG 60.A N SER 57.A O no hydrogen 3.223 N/A TYR 61.A N ILE 58.A O no hydrogen 3.162 N/A ALA 62.A N ARG 59.A O no hydrogen 3.083 N/A THR 63.A N ARG 60.A O no hydrogen 2.959 N/A THR 63.A OG1 ARG 60.A O no hydrogen 3.307 N/A ASP 65.A N ASN 69.A O no hydrogen 2.845 N/A ARG 66.A NE GLU 151.A OE1 no hydrogen 3.072 N/A ARG 66.A NH1 GLU 151.A O no hydrogen 2.924 N/A ARG 66.A NH1 GLU 155.A OE1 no hydrogen 2.830 N/A ARG 66.A NH1 GLU 155.A OE2 no hydrogen 3.546 N/A ARG 66.A NH2 GLU 155.A OE2 no hydrogen 3.285 N/A GLY 68.A N ASP 65.A O no hydrogen 3.021 N/A ASN 69.A N ASP 65.A OD2 no hydrogen 2.740 N/A ASN 69.A ND2 ASP 65.A OD1 no hydrogen 3.301 N/A VAL 71.A N THR 63.A O no hydrogen 2.857 N/A GLU 75.A N GLU 79.A OE1 no hydrogen 2.732 N/A GLU 79.A N THR 76.A OG1 no hydrogen 3.137 N/A GLU 80.A N THR 76.A O no hydrogen 2.898 N/A LEU 81.A N PRO 77.A O no hydrogen 3.095 N/A LEU 81.A N GLU 78.A O no hydrogen 3.066 N/A ASP 82.A N GLU 78.A O no hydrogen 3.515 N/A PHE 83.A N GLU 79.A O no hydrogen 2.863 N/A ALA 84.A N GLU 80.A O no hydrogen 2.982 N/A GLY 85.A N LEU 81.A O no hydrogen 3.175 N/A HIS 86.A N ASP 82.A O no hydrogen 3.267 N/A HIS 86.A ND1 GLU 151.A OE2 no hydrogen 2.891 N/A TRP 87.A N PHE 83.A O no hydrogen 2.874 N/A PHE 88.A N ALA 84.A O no hydrogen 2.773 N/A GLY 89.A N GLY 85.A O no hydrogen 2.960 N/A ARG 90.A N HIS 86.A O no hydrogen 2.793 N/A ARG 90.A NE TYR 61.A O no hydrogen 2.866 N/A ARG 90.A NH2 TYR 61.A O no hydrogen 3.069 N/A MET 91.A N TRP 87.A O no hydrogen 2.995 N/A ALA 92.A N PHE 88.A O no hydrogen 2.849 N/A ALA 93.A N GLY 89.A O no hydrogen 3.037 N/A GLY 94.A N ARG 90.A O no hydrogen 3.152 N/A SER 95.A N ALA 92.A O no hydrogen 2.965 N/A SER 95.A OG MET 91.A O no hydrogen 2.873 N/A MET 96.A N ALA 93.A O no hydrogen 3.472 N/A LEU 99.A N SER 95.A O no hydrogen 3.145 N/A ARG 100.A N MET 96.A O no hydrogen 2.873 N/A ARG 100.A NE GLU 126.A OE1 no hydrogen 2.848 N/A ARG 100.A NE GLU 126.A OE2 no hydrogen 3.021 N/A ARG 100.A NH2 GLU 126.A OE2 no hydrogen 2.774 N/A GLU 101.A N ASP 97.A O no hydrogen 3.140 N/A VAL 102.A N ALA 98.A O no hydrogen 3.019 N/A THR 103.A N LEU 99.A O no hydrogen 2.898 N/A THR 103.A OG1 LEU 99.A O no hydrogen 2.996 N/A THR 103.A OG1 ARG 100.A O no hydrogen 3.433 N/A ALA 104.A N ARG 100.A O no hydrogen 2.965 N/A ASN 105.A N VAL 102.A O no hydrogen 2.995 N/A ASN 105.A ND2 GLU 101.A O no hydrogen 3.184 N/A TRP 106.A N VAL 102.A O no hydrogen 2.752 N/A ARG 107.A NH1 LEU 127.A O no hydrogen 3.470 N/A ARG 107.A NH2 LEU 127.A O no hydrogen 3.130 N/A ASP 109.A N LYS 2.A O no hydrogen 2.744 N/A VAL 111.A N PRO 130.A O no hydrogen 3.024 N/A VAL 112.A N LEU 4.A O no hydrogen 2.869 N/A GLY 113.A N VAL 132.A O no hydrogen 2.952 N/A GLY 114.A N VAL 6.A O no hydrogen 3.326 N/A GLY 114.A N SER 117.A OG no hydrogen 3.210 N/A SER 117.A N GLY 114.A O no hydrogen 3.010 N/A SER 117.A OG VAL 6.A O no hydrogen 2.888 N/A SER 117.A OG SER 8.A OG no hydrogen 3.115 N/A PHE 118.A N MET 116.A O no hydrogen 3.004 N/A ALA 120.A N SER 117.A O no hydrogen 2.942 N/A LEU 122.A N PHE 118.A O no hydrogen 3.000 N/A ILE 123.A N ALA 119.A O no hydrogen 3.015 N/A ALA 124.A N ALA 120.A O no hydrogen 3.017 N/A ALA 125.A N ALA 121.A O no hydrogen 2.971 N/A GLU 126.A N LEU 122.A O no hydrogen 2.953 N/A LEU 127.A N ILE 123.A O no hydrogen 2.957 N/A GLY 128.A N ALA 125.A O no hydrogen 3.001 N/A VAL 129.A N ALA 124.A O no hydrogen 2.992 N/A VAL 132.A N VAL 111.A O no hydrogen 2.805 N/A ARG 133.A N LEU 169.A O no hydrogen 2.925 N/A ARG 133.A NE SER 115.A O no hydrogen 3.201 N/A ARG 133.A NH1 ASP 145.A OD1 no hydrogen 3.213 N/A ARG 133.A NH1 ASP 145.A OD2 no hydrogen 3.034 N/A ARG 133.A NH2 ASP 145.A OD1 no hydrogen 2.840 N/A GLN 134.A N GLY 113.A O no hydrogen 2.936 N/A GLN 134.A NE2 ALA 16.A O no hydrogen 2.774 N/A ALA 135.A N VAL 171.A O no hydrogen 2.815 N/A ASP 137.A N ASP 172.A OD1 no hydrogen 2.782 N/A THR 138.A N ASP 172.A OD2 no hydrogen 2.998 N/A THR 138.A OG1 ASP 172.A OD2 no hydrogen 3.567 N/A THR 138.A OG1 PRO 184.A O no hydrogen 3.019 N/A GLY 139.A N ASP 137.A OD1 no hydrogen 2.721 N/A ASP 140.A N ASP 137.A O no hydrogen 3.451 N/A ARG 143.A NE ASP 140.A OD1 no hydrogen 3.226 N/A THR 144.A N ALA 141.A O no hydrogen 3.190 N/A ASP 145.A N ALA 141.A O no hydrogen 2.976 N/A ALA 148.A N THR 144.A O no hydrogen 3.135 N/A SER 149.A N ASP 145.A O no hydrogen 2.961 N/A SER 149.A OG ASP 145.A O no hydrogen 2.647 N/A ASP 150.A N PRO 146.A O no hydrogen 3.040 N/A GLU 151.A N ALA 147.A O no hydrogen 3.120 N/A LEU 152.A N ALA 148.A O no hydrogen 2.870 N/A ARG 153.A N ASP 150.A O no hydrogen 3.307 N/A ARG 153.A NH2 ASP 150.A OD1 no hydrogen 2.598 N/A LEU 156.A N LEU 152.A O no hydrogen 2.800 N/A ARG 157.A N ARG 153.A O no hydrogen 3.031 N/A ALA 158.A N PRO 154.A O no hydrogen 3.099 N/A LEU 159.A N LEU 156.A O no hydrogen 3.127 N/A GLY 160.A N ARG 157.A O no hydrogen 2.720 N/A LEU 161.A N LEU 156.A O no hydrogen 2.915 N/A ALA 168.A N TYR 131.A O no hydrogen 2.818 N/A VAL 171.A N ARG 133.A O no hydrogen 2.773 N/A ASP 172.A N GLN 187.A O no hydrogen 2.849 N/A ILE 173.A N ALA 135.A O no hydrogen 2.989 N/A CYS 174.A N ASP 172.A OD1 no hydrogen 2.902 N/A CYS 174.A SG PRO 175.A O no hydrogen 3.430 N/A SER 177.A N GLU 335.A OE2 no hydrogen 2.767 N/A SER 177.A OG GLU 335.A OE1 no hydrogen 2.361 N/A SER 177.A OG GLU 335.A OE2 no hydrogen 3.221 N/A LEU 178.A N PRO 175.A O no hydrogen 2.812 N/A ARG 179.A N PRO 176.A O no hydrogen 3.223 N/A ARG 179.A NE ASP 172.A OD2 no hydrogen 2.697 N/A ARG 179.A NH2 ASP 172.A OD2 no hydrogen 2.938 N/A ARG 179.A NH2 PRO 184.A O no hydrogen 2.882 N/A ALA 183.A N PRO 180.A O no hydrogen 3.074 N/A GLN 187.A N PHE 170.A O no hydrogen 2.783 N/A GLN 187.A NE2 MET 188.A O no hydrogen 2.949 N/A MET 189.A N ASP 172.A O no hydrogen 2.964 N/A ARG 190.A N PRO 340.A O no hydrogen 2.755 N/A ARG 190.A NE ASN 278.A OD1 no hydrogen 3.090 N/A ARG 190.A NH2 ASN 278.A OD1 no hydrogen 3.027 N/A TRP 191.A NE1 PHE 15.A O no hydrogen 2.952 N/A ASN 195.A ND2 GLY 196.A O no hydrogen 2.899 N/A GLN 197.A NE2 ASN 195.A O no hydrogen 3.540 N/A GLN 197.A NE2 ASP 255.A OD1 no hydrogen 2.861 N/A ARG 198.A NH2 ASP 241.A OD2 no hydrogen 3.366 N/A ARG 199.A NH1 GLU 201.A OE1 no hydrogen 3.536 N/A MET 204.A N GLU 201.A O no hydrogen 3.078 N/A TYR 205.A N PRO 202.A O no hydrogen 3.263 N/A THR 206.A N TRP 203.A O no hydrogen 3.358 N/A THR 206.A OG1 PRO 202.A O no hydrogen 2.620 N/A LYS 207.A NZ PRO 259.A O no hydrogen 2.984 N/A ARG 210.A NE ASP 232.A O no hydrogen 2.954 N/A ARG 212.A N ASP 262.A OD1 no hydrogen 2.722 N/A ARG 212.A NE GLU 234.A OE1 no hydrogen 2.878 N/A ARG 212.A NH1 TRP 203.A O no hydrogen 2.955 N/A ARG 212.A NH1 THR 260.A OG1 no hydrogen 2.859 N/A ARG 212.A NH2 TRP 203.A O no hydrogen 2.742 N/A ARG 212.A NH2 GLU 234.A OE1 no hydrogen 2.940 N/A ILE 213.A N GLU 234.A O no hydrogen 2.720 N/A LEU 214.A N VAL 263.A O no hydrogen 3.080 N/A VAL 215.A N VAL 236.A O no hydrogen 2.831 N/A THR 216.A N VAL 265.A O no hydrogen 2.904 N/A THR 216.A OG1 THR 272.A OG1 no hydrogen 3.183 N/A SER 217.A N ALA 238.A O no hydrogen 2.978 N/A LEU 224.A N PHE 220.A O no hydrogen 3.076 N/A LEU 224.A N LEU 221.A O no hydrogen 3.001 N/A VAL 225.A N LEU 221.A O no hydrogen 2.923 N/A ALA 226.A N ARG 222.A O no hydrogen 3.216 N/A ASP 227.A N GLY 223.A O no hydrogen 3.494 N/A MET 228.A N LEU 224.A O no hydrogen 3.091 N/A ALA 229.A N ALA 226.A O no hydrogen 2.912 N/A ASP 232.A N ALA 229.A O no hydrogen 2.616 N/A ALA 233.A N MET 228.A O no hydrogen 2.852 N/A GLU 234.A N PRO 211.A O no hydrogen 2.807 N/A VAL 236.A N ILE 213.A O no hydrogen 2.748 N/A ILE 237.A N ARG 248.A O no hydrogen 2.707 N/A ALA 238.A N VAL 215.A O no hydrogen 2.806 N/A THR 239.A N GLY 250.A O no hydrogen 3.075 N/A THR 239.A OG1 SER 217.A O no hydrogen 2.680 N/A LEU 240.A N THR 239.A OG1 no hydrogen 2.838 N/A GLU 242.A N GLU 242.A OE2 no hydrogen 2.562 N/A VAL 243.A N LEU 240.A O no hydrogen 2.899 N/A ALA 244.A N LEU 240.A O no hydrogen 3.148 N/A ARG 248.A N VAL 235.A O no hydrogen 3.087 N/A GLY 250.A N ILE 237.A O no hydrogen 2.953 N/A VAL 256.A N PRO 253.A O no hydrogen 3.162 N/A VAL 256.A N ASP 255.A OD2 no hydrogen 3.043 N/A VAL 257.A N PRO 253.A O no hydrogen 2.858 N/A VAL 258.A N LEU 254.A O no hydrogen 2.926 N/A THR 260.A N VAL 257.A O no hydrogen 2.845 N/A THR 260.A OG1 VAL 257.A O no hydrogen 2.550 N/A CYS 261.A N VAL 258.A O no hydrogen 2.959 N/A CYS 261.A SG VAL 257.A O no hydrogen 3.474 N/A ASP 262.A N ARG 212.A O no hydrogen 2.764 N/A VAL 264.A N PRO 282.A O no hydrogen 3.079 N/A VAL 265.A N LEU 214.A O no hydrogen 2.627 N/A HIS 266.A N LEU 284.A O no hydrogen 3.037 N/A HIS 266.A NE2 GLN 283.A OE1 no hydrogen 2.875 N/A ALA 268.A N HIS 266.A ND1 no hydrogen 3.019 N/A THR 272.A OG1 THR 216.A OG1 no hydrogen 3.183 N/A LEU 274.A N GLY 270.A O no hydrogen 2.862 N/A THR 275.A N VAL 271.A O no hydrogen 3.047 N/A THR 275.A OG1 VAL 271.A O no hydrogen 2.742 N/A ALA 276.A N THR 272.A O no hydrogen 2.895 N/A MET 277.A N ALA 273.A O no hydrogen 3.087 N/A ASN 278.A N LEU 274.A O no hydrogen 3.087 N/A ALA 279.A N THR 275.A O no hydrogen 2.934 N/A GLY 280.A N ALA 276.A O no hydrogen 2.802 N/A VAL 281.A N ALA 276.A O no hydrogen 3.008 N/A GLN 283.A N ALA 304.A O no hydrogen 3.178 N/A GLN 283.A NE2 ALA 273.A O no hydrogen 3.382 N/A LEU 284.A N VAL 264.A O no hydrogen 2.695 N/A ILE 285.A N ILE 306.A O no hydrogen 2.987 N/A VAL 286.A N HIS 266.A O no hydrogen 2.846 N/A PHE 292.A N ALA 268.A O no hydrogen 3.196 N/A GLY 296.A N PHE 292.A O no hydrogen 2.960 N/A LEU 297.A N VAL 293.A O no hydrogen 2.971 N/A ARG 298.A N GLU 294.A O no hydrogen 3.105 N/A ARG 298.A NE GLU 294.A OE2 no hydrogen 3.225 N/A ARG 298.A NH1 ASP 137.A OD2 no hydrogen 2.693 N/A ARG 298.A NH1 LEU 178.A O no hydrogen 2.808 N/A ARG 298.A NH2 ASP 137.A OD2 no hydrogen 2.794 N/A ILE 299.A N ALA 295.A O no hydrogen 2.905 N/A SER 300.A N GLY 296.A O no hydrogen 2.831 N/A SER 300.A OG GLY 296.A O no hydrogen 2.809 N/A SER 300.A OG THR 307.A OG1 no hydrogen 2.679 N/A ASP 301.A N LEU 297.A O no hydrogen 2.797 N/A PHE 302.A N ARG 298.A O no hydrogen 2.889 N/A GLY 303.A N ILE 299.A O no hydrogen 3.039 N/A GLY 303.A N SER 300.A O no hydrogen 2.748 N/A ALA 304.A N ILE 299.A O no hydrogen 3.124 N/A ILE 306.A N GLN 283.A O no hydrogen 3.008 N/A THR 307.A OG1 SER 300.A OG no hydrogen 2.679 N/A VAL 308.A N ILE 285.A O no hydrogen 3.116 N/A ALA 315.A N ALA 311.A O no hydrogen 3.107 N/A CYS 316.A N VAL 312.A O no hydrogen 2.863 N/A GLY 317.A N GLU 313.A O no hydrogen 2.960 N/A GLU 318.A N LYS 314.A O no hydrogen 2.947 N/A LEU 319.A N ALA 315.A O no hydrogen 2.936 N/A ILE 320.A N CYS 316.A O no hydrogen 3.090 N/A GLY 321.A N GLY 317.A O no hydrogen 2.942 N/A ASN 322.A N GLU 318.A O no hydrogen 2.898 N/A ASN 322.A ND2 GLU 318.A OE2 no hydrogen 3.238 N/A SER 324.A N ASN 322.A OD1 no hydrogen 3.016 N/A SER 324.A OG ASN 322.A OD1 no hydrogen 2.877 N/A TYR 325.A OH GLU 318.A OE1 no hydrogen 3.177 N/A GLU 327.A N PRO 323.A O no hydrogen 3.008 N/A ARG 328.A N SER 324.A O no hydrogen 2.646 N/A ARG 328.A NE PHE 302.A O no hydrogen 2.687 N/A ARG 328.A NH1 GLU 331.A OE2 no hydrogen 2.294 N/A ARG 328.A NH2 PHE 302.A O no hydrogen 2.757 N/A ALA 329.A N TYR 325.A O no hydrogen 2.952 N/A ARG 330.A N ALA 326.A O no hydrogen 3.044 N/A GLU 331.A N GLU 327.A O no hydrogen 3.133 N/A LEU 332.A N ARG 328.A O no hydrogen 3.098 N/A SER 333.A N ALA 329.A O no hydrogen 2.918 N/A SER 333.A OG ASN 278.A O no hydrogen 2.595 N/A ALA 334.A N ARG 330.A O no hydrogen 2.832 N/A GLU 335.A N GLU 331.A O no hydrogen 2.965 N/A ILE 336.A N LEU 332.A O no hydrogen 2.889 N/A ALA 337.A N SER 333.A O no hydrogen 2.846 N/A ALA 338.A N GLU 335.A O no hydrogen 3.295 N/A LEU 339.A N ILE 336.A O no hydrogen 3.170 N/A VAL 345.A N LEU 341.A O no hydrogen 3.098 N/A VAL 346.A N PRO 342.A O no hydrogen 3.136 N/A LEU 349.A N VAL 345.A O no hydrogen 3.022 N/A GLU 350.A N VAL 346.A O no hydrogen 2.931 N/A GLY 351.A N GLY 347.A O no hydrogen 3.102 N/A LEU 352.A N LEU 349.A O no hydrogen 3.206 N/A GLU 354.A N GLY 351.A O no hydrogen 3.482 N/A TYR 357.A N ASN 355.A OD1 no hydrogen 3.000 N/A PHE 358.A N ASN 355.A O no hydrogen 2.883 N/A