Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4iw3_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N HIS 61.A O no hydrogen 2.926 N/A ASN 5.A N ASP 85.A OD2 no hydrogen 2.957 N/A VAL 6.A N ALA 63.A O no hydrogen 2.849 N/A THR 8.A N VAL 65.A O no hydrogen 3.114 N/A THR 8.A OG1 ASP 66.A OD2 no hydrogen 3.181 N/A ILE 9.A N ILE 88.A O no hydrogen 3.025 N/A GLY 10.A N HIS 104.A ND1 no hydrogen 3.136 N/A THR 17.A OG1 ASP 66.A OD1 no hydrogen 2.741 N/A LEU 19.A N GLY 15.A O no hydrogen 2.977 N/A THR 20.A N LYS 16.A O no hydrogen 3.087 N/A THR 20.A OG1 LYS 16.A O no hydrogen 2.860 N/A ALA 22.A N THR 18.A O no hydrogen 2.988 N/A LEU 23.A N LEU 19.A O no hydrogen 2.908 N/A THR 24.A N THR 20.A O no hydrogen 3.423 N/A THR 24.A OG1 ALA 21.A O no hydrogen 2.349 N/A ARG 25.A N ALA 21.A O no hydrogen 3.121 N/A VAL 26.A N ALA 22.A O no hydrogen 3.030 N/A CYS 27.A N LEU 23.A O no hydrogen 3.145 N/A CYS 27.A SG LEU 23.A O no hydrogen 3.328 N/A SER 28.A N THR 24.A O no hydrogen 2.851 N/A SER 28.A OG SER 33.A OG no hydrogen 3.187 N/A GLU 29.A N ARG 25.A O no hydrogen 2.875 N/A VAL 30.A N VAL 26.A O no hydrogen 2.976 N/A SER 33.A OG SER 28.A OG no hydrogen 3.187 N/A SER 33.A OG GLY 32.A O no hydrogen 2.244 N/A ALA 38.A N ASP 36.A OD2 no hydrogen 3.162 N/A THR 47.A N GLU 302.A OE2 no hydrogen 3.380 N/A ALA 51.A N ASP 66.A O no hydrogen 2.928 N/A VAL 53.A N HIS 64.A O no hydrogen 3.169 N/A TYR 55.A N TYR 62.A O no hydrogen 3.281 N/A SER 57.A N ARG 60.A O no hydrogen 2.948 N/A SER 57.A OG ARG 60.A O no hydrogen 3.371 N/A SER 57.A OG ASP 183.A OD1 no hydrogen 3.020 N/A SER 57.A OG ASP 183.A OD2 no hydrogen 2.930 N/A ILE 59.A N SER 57.A OG no hydrogen 3.245 N/A ARG 60.A N SER 57.A OG no hydrogen 3.105 N/A ARG 60.A NH1 ILE 186.A O no hydrogen 2.869 N/A ARG 60.A NH2 ILE 186.A O no hydrogen 2.713 N/A HIS 61.A N PRO 2.A O no hydrogen 2.928 N/A HIS 61.A ND1 ASN 56.A OD1 no hydrogen 2.594 N/A TYR 62.A N TYR 55.A O no hydrogen 2.942 N/A TYR 62.A OH ASP 183.A OD2 no hydrogen 2.137 N/A ALA 63.A N VAL 4.A O no hydrogen 3.042 N/A HIS 64.A N VAL 53.A O no hydrogen 2.983 N/A VAL 65.A N VAL 6.A O no hydrogen 3.191 N/A ASP 66.A N ALA 51.A O no hydrogen 3.031 N/A CYS 67.A N TYR 73.A OH no hydrogen 3.226 N/A CYS 67.A SG ASN 49.A O no hydrogen 3.775 N/A GLY 69.A N ASP 72.A OD2 no hydrogen 3.065 N/A TYR 73.A N GLY 69.A O no hydrogen 3.077 N/A TYR 73.A OH THR 8.A O no hydrogen 2.759 N/A VAL 74.A N HIS 70.A O no hydrogen 3.067 N/A LYS 75.A N ALA 71.A O no hydrogen 3.105 N/A LYS 75.A NZ GLU 302.A OE2 no hydrogen 3.049 N/A ASN 76.A N ASP 72.A O no hydrogen 2.940 N/A MET 77.A N TYR 73.A O no hydrogen 2.871 N/A ILE 78.A N VAL 74.A O no hydrogen 3.182 N/A THR 79.A N LYS 75.A O no hydrogen 2.990 N/A THR 79.A OG1 LYS 75.A O no hydrogen 2.907 N/A GLY 80.A N ASN 76.A O no hydrogen 3.278 N/A ALA 81.A N THR 79.A OG1 no hydrogen 3.288 N/A ALA 82.A N ASN 76.A O no hydrogen 3.131 N/A GLN 83.A N GLY 80.A O no hydrogen 3.225 N/A ASP 85.A N ASN 5.A O no hydrogen 2.901 N/A ALA 87.A N TYR 115.A O no hydrogen 2.915 N/A ILE 88.A N GLY 7.A O no hydrogen 2.795 N/A LEU 89.A N VAL 117.A O no hydrogen 2.857 N/A VAL 90.A N ILE 9.A O no hydrogen 2.767 N/A CYS 91.A N PHE 119.A O no hydrogen 3.264 N/A ALA 93.A N ASN 121.A O no hydrogen 3.139 N/A ASP 95.A N SER 92.A OG no hydrogen 3.108 N/A GLY 96.A N SER 92.A O no hydrogen 2.933 N/A MET 98.A N THR 101.A OG1 no hydrogen 3.369 N/A THR 101.A N MET 98.A O no hydrogen 2.664 N/A ARG 102.A N MET 98.A O no hydrogen 3.408 N/A GLU 103.A N PRO 99.A O no hydrogen 3.044 N/A ILE 105.A N THR 101.A O no hydrogen 3.228 N/A LEU 106.A N ARG 102.A O no hydrogen 2.990 N/A LEU 107.A N GLU 103.A O no hydrogen 2.804 N/A SER 108.A N HIS 104.A O no hydrogen 2.860 N/A SER 108.A OG HIS 104.A O no hydrogen 2.667 N/A ARG 109.A N ILE 105.A O no hydrogen 3.184 N/A ARG 109.A NE GLN 110.A OE1 no hydrogen 3.560 N/A ARG 109.A NH2 GLN 110.A OE1 no hydrogen 3.568 N/A GLN 110.A N LEU 106.A O no hydrogen 3.064 N/A GLN 110.A NE2 GLU 294.A OE1 no hydrogen 3.183 N/A VAL 111.A N LEU 107.A O no hydrogen 3.045 N/A GLY 112.A N SER 108.A O no hydrogen 3.108 N/A GLY 112.A N ARG 109.A O no hydrogen 3.175 N/A VAL 113.A N SER 108.A O no hydrogen 2.941 N/A VAL 117.A N ALA 87.A O no hydrogen 2.887 N/A VAL 118.A N PRO 152.A O no hydrogen 3.404 N/A PHE 119.A N LEU 89.A O no hydrogen 2.980 N/A LEU 120.A N ILE 154.A O no hydrogen 2.817 N/A ASN 121.A N CYS 91.A O no hydrogen 2.676 N/A ASN 121.A ND2 HIS 14.A O no hydrogen 2.929 N/A LYS 122.A NZ ASP 13.A O no hydrogen 2.496 N/A ALA 123.A N GLY 156.A O no hydrogen 3.129 N/A LEU 125.A N LYS 122.A O no hydrogen 3.149 N/A VAL 133.A N LEU 129.A O no hydrogen 2.674 N/A GLU 134.A N LEU 130.A O no hydrogen 3.182 N/A MET 135.A N GLU 131.A O no hydrogen 3.158 N/A GLU 136.A N LEU 132.A O no hydrogen 3.139 N/A VAL 137.A N VAL 133.A O no hydrogen 3.071 N/A ARG 138.A N GLU 134.A O no hydrogen 2.938 N/A ARG 138.A NH1 GLY 148.A O no hydrogen 3.155 N/A ARG 138.A NH1 THR 151.A O no hydrogen 2.717 N/A ASP 139.A N MET 135.A O no hydrogen 3.162 N/A LEU 140.A N GLU 136.A O no hydrogen 2.706 N/A LEU 141.A N VAL 137.A O no hydrogen 2.695 N/A SER 142.A N ARG 138.A O no hydrogen 2.975 N/A SER 142.A OG ARG 138.A O no hydrogen 3.079 N/A THR 143.A N ASP 139.A O no hydrogen 2.779 N/A THR 143.A OG1 ASP 139.A O no hydrogen 2.553 N/A TYR 144.A N LEU 141.A O no hydrogen 2.753 N/A ASP 145.A N SER 142.A O no hydrogen 3.050 N/A PHE 146.A N LEU 141.A O no hydrogen 3.410 N/A GLY 148.A N PHE 146.A O no hydrogen 2.399 N/A ASP 150.A N PRO 147.A O no hydrogen 2.820 N/A THR 151.A OG1 PRO 147.A O no hydrogen 2.383 N/A ILE 154.A N VAL 118.A O no hydrogen 3.065 N/A GLY 156.A N LEU 120.A O no hydrogen 3.122 N/A SER 157.A N MET 170.A O no hydrogen 2.911 N/A ALA 158.A N ASN 121.A OD1 no hydrogen 2.666 N/A MET 160.A N SER 157.A OG no hydrogen 3.255 N/A ALA 161.A N SER 157.A O no hydrogen 3.205 N/A LEU 162.A N ALA 158.A O no hydrogen 2.712 N/A GLU 163.A N ARG 159.A O no hydrogen 2.953 N/A GLY 164.A N ALA 161.A O no hydrogen 3.095 N/A GLY 171.A N ASP 166.A OD1 no hydrogen 2.814 N/A THR 173.A N ASP 166.A OD2 no hydrogen 3.284 N/A THR 173.A OG1 ASP 166.A OD2 no hydrogen 2.470 N/A ALA 174.A N GLY 171.A O no hydrogen 3.077 N/A LYS 176.A N THR 172.A O no hydrogen 3.025 N/A LYS 177.A N THR 173.A O no hydrogen 2.836 N/A LEU 178.A N ALA 174.A O no hydrogen 2.776 N/A VAL 179.A N VAL 175.A O no hydrogen 2.947 N/A GLU 180.A N LYS 176.A O no hydrogen 2.919 N/A THR 181.A N LYS 177.A O no hydrogen 3.015 N/A THR 181.A OG1 LYS 177.A O no hydrogen 2.540 N/A LEU 182.A N LEU 178.A O no hydrogen 2.998 N/A ASP 183.A N VAL 179.A O no hydrogen 2.969 N/A SER 184.A N THR 181.A O no hydrogen 3.049 N/A TYR 185.A N THR 181.A O no hydrogen 2.736 N/A ARG 191.A NH2 ASP 194.A OD2 no hydrogen 3.001 N/A ASP 194.A N ARG 191.A O no hydrogen 2.778 N/A GLN 195.A N ALA 192.A O no hydrogen 3.154 N/A GLN 195.A NE2 VAL 190.A O no hydrogen 3.244 N/A LEU 198.A N ARG 220.A O no hydrogen 3.044 N/A MET 199.A N LEU 279.A O no hydrogen 2.950 N/A ILE 201.A N GLN 277.A O no hydrogen 2.908 N/A GLU 202.A N THR 215.A O no hydrogen 2.789 N/A ASP 203.A N THR 215.A OG1 no hydrogen 3.333 N/A PHE 205.A N VAL 213.A O no hydrogen 2.900 N/A SER 206.A OG GLY 211.A O no hydrogen 3.530 N/A ARG 210.A N ILE 207.A O no hydrogen 3.063 N/A ARG 210.A NH1 GLU 246.A OE2 no hydrogen 2.749 N/A THR 212.A OG1 THR 268.A O no hydrogen 2.852 N/A VAL 213.A N PHE 205.A O no hydrogen 2.915 N/A VAL 214.A N VAL 263.A O no hydrogen 2.911 N/A THR 215.A N ASP 203.A O no hydrogen 3.145 N/A GLY 216.A N CYS 261.A O no hydrogen 3.169 N/A ARG 217.A NE GLY 258.A O no hydrogen 2.700 N/A ARG 217.A NH2 GLY 258.A O no hydrogen 3.275 N/A ILE 218.A N GLU 259.A O no hydrogen 2.992 N/A GLU 219.A N LEU 198.A O no hydrogen 3.045 N/A ARG 220.A N LEU 198.A O no hydrogen 3.506 N/A ARG 220.A NE PRO 196.A O no hydrogen 3.157 N/A ARG 220.A NH1 GLU 356.A OE2 no hydrogen 2.700 N/A ARG 220.A NH2 GLU 356.A OE2 no hydrogen 2.909 N/A GLY 221.A N ALA 192.A O no hydrogen 2.813 N/A VAL 223.A N GLY 255.A O no hydrogen 3.021 N/A ARG 224.A N ASP 227.A OD2 no hydrogen 2.926 N/A ARG 224.A NH1 GLU 254.A OE1 no hydrogen 2.652 N/A VAL 225.A N ASP 253.A O no hydrogen 3.021 N/A GLN 226.A N CYS 242.A O no hydrogen 2.585 N/A ASP 227.A N ARG 224.A O no hydrogen 3.115 N/A LEU 229.A N THR 240.A O no hydrogen 2.715 N/A GLU 230.A N VAL 280.A O no hydrogen 2.886 N/A ILE 231.A N THR 238.A O no hydrogen 2.789 N/A VAL 232.A N VAL 278.A O no hydrogen 3.065 N/A LEU 234.A N THR 352.A O no hydrogen 2.598 N/A ARG 235.A NH2 GLU 274.A OE2 no hydrogen 2.506 N/A THR 238.A N ILE 231.A O no hydrogen 3.187 N/A THR 238.A OG1 ASP 236.A O no hydrogen 3.561 N/A THR 240.A N LEU 229.A O no hydrogen 2.831 N/A THR 240.A OG1 THR 241.A O no hydrogen 3.548 N/A THR 240.A OG1 ARG 266.A O no hydrogen 3.426 N/A THR 240.A OG1 THR 268.A OG1 no hydrogen 2.892 N/A CYS 242.A N ASP 227.A O no hydrogen 3.003 N/A CYS 242.A SG ARG 224.A O no hydrogen 3.748 N/A CYS 242.A SG GLY 244.A O no hydrogen 3.579 N/A THR 243.A N LEU 264.A O no hydrogen 2.661 N/A GLU 246.A N GLY 262.A O no hydrogen 2.837 N/A MET 247.A N LYS 250.A O no hydrogen 3.145 N/A LYS 250.A N MET 247.A O no hydrogen 2.898 N/A LEU 252.A N VAL 245.A O no hydrogen 2.949 N/A GLY 255.A N VAL 223.A O no hydrogen 2.718 N/A ARG 256.A N GLU 259.A OE1 no hydrogen 2.616 N/A ARG 256.A NE GLU 254.A OE2 no hydrogen 2.814 N/A ARG 256.A NH2 GLU 254.A OE2 no hydrogen 2.966 N/A ALA 257.A N GLY 221.A O no hydrogen 2.967 N/A GLY 258.A N ILE 218.A O no hydrogen 2.867 N/A GLU 259.A N ARG 256.A O no hydrogen 2.738 N/A CYS 261.A N GLY 216.A O no hydrogen 3.016 N/A GLY 262.A N GLU 246.A O no hydrogen 2.866 N/A VAL 263.A N VAL 214.A O no hydrogen 2.692 N/A LEU 264.A N GLY 244.A O no hydrogen 2.895 N/A LEU 265.A N THR 212.A O no hydrogen 3.030 N/A THR 268.A OG1 THR 240.A OG1 no hydrogen 2.892 N/A THR 268.A OG1 ARG 266.A O no hydrogen 3.506 N/A ASP 272.A N LYS 269.A O no hydrogen 2.872 N/A GLU 274.A N GLN 277.A OE1 no hydrogen 2.869 N/A ARG 275.A NE THR 321.A O no hydrogen 2.839 N/A ARG 275.A NH1 GLU 202.A O no hydrogen 3.280 N/A GLY 276.A N ILE 201.A O no hydrogen 3.212 N/A GLN 277.A N GLU 274.A O no hydrogen 3.321 N/A GLN 277.A NE2 GLY 233.A O no hydrogen 2.948 N/A VAL 278.A N VAL 232.A O no hydrogen 3.071 N/A LEU 279.A N MET 199.A O no hydrogen 2.797 N/A VAL 280.A N GLU 230.A O no hydrogen 2.896 N/A LYS 281.A N PHE 197.A O no hydrogen 3.310 N/A GLY 283.A N GLU 230.A OE2 no hydrogen 2.753 N/A SER 284.A N LYS 281.A O no hydrogen 3.005 N/A HIS 288.A N ILE 353.A O no hydrogen 2.943 N/A HIS 288.A ND1 GLU 380.A OXT no hydrogen 3.253 N/A THR 289.A N GLU 380.A O no hydrogen 2.925 N/A THR 289.A OG1 LEU 349.A O no hydrogen 2.984 N/A LYS 290.A N GLU 380.A O no hydrogen 3.049 N/A PHE 291.A N VAL 347.A O no hydrogen 2.993 N/A THR 292.A N LYS 377.A O no hydrogen 2.986 N/A ALA 293.A N MET 345.A O no hydrogen 2.947 N/A GLU 294.A N VAL 374.A O no hydrogen 3.154 N/A VAL 295.A N ILE 343.A O no hydrogen 3.089 N/A TYR 296.A N ALA 372.A O no hydrogen 2.752 N/A TYR 296.A OH GLU 302.A OE1 no hydrogen 2.677 N/A VAL 297.A N ASP 341.A O no hydrogen 2.994 N/A LEU 298.A N VAL 370.A O no hydrogen 2.943 N/A SER 299.A N GLU 302.A OE1 no hydrogen 3.061 N/A GLU 301.A N SER 299.A OG no hydrogen 2.876 N/A GLU 302.A N SER 299.A O no hydrogen 3.064 N/A GLY 303.A N LYS 300.A O no hydrogen 2.985 N/A GLY 304.A N SER 299.A O no hydrogen 2.881 N/A ARG 305.A NE THR 307.A O no hydrogen 3.102 N/A THR 307.A OG1 PRO 308.A O no hydrogen 3.446 N/A PHE 309.A N VAL 337.A O no hydrogen 3.334 N/A GLN 316.A N ARG 364.A O no hydrogen 2.892 N/A GLN 316.A NE2 THR 325.A OG1 no hydrogen 3.226 N/A PHE 317.A N VAL 324.A O no hydrogen 2.753 N/A TYR 318.A N ALA 362.A O no hydrogen 2.676 N/A PHE 319.A N THR 322.A O no hydrogen 3.038 N/A ARG 320.A NE GLU 219.A OE1 no hydrogen 3.464 N/A ARG 320.A NE GLU 219.A OE2 no hydrogen 3.333 N/A ARG 320.A NH2 GLU 219.A OE1 no hydrogen 3.137 N/A ARG 320.A NH2 GLU 356.A OE1 no hydrogen 3.286 N/A THR 321.A N PHE 319.A O no hydrogen 2.809 N/A THR 321.A OG1 ILE 201.A O no hydrogen 3.262 N/A VAL 324.A N PHE 317.A O no hydrogen 3.038 N/A THR 325.A OG1 GLN 316.A OE1 no hydrogen 2.941 N/A GLY 326.A N PRO 315.A O no hydrogen 3.195 N/A ASN 327.A N THR 348.A O no hydrogen 2.911 N/A CYS 328.A SG TYR 313.A O no hydrogen 3.371 N/A VAL 334.A N PRO 331.A O no hydrogen 3.420 N/A VAL 337.A N PHE 309.A O no hydrogen 3.195 N/A GLY 340.A N VAL 297.A O no hydrogen 2.815 N/A ASP 341.A N MET 338.A O no hydrogen 2.776 N/A ILE 343.A N VAL 295.A O no hydrogen 3.102 N/A MET 345.A N ALA 293.A O no hydrogen 3.179 N/A THR 346.A N GLU 329.A O no hydrogen 2.841 N/A VAL 347.A N PHE 291.A O no hydrogen 2.820 N/A THR 348.A N ASN 327.A O no hydrogen 3.000 N/A LEU 349.A N THR 289.A O no hydrogen 2.961 N/A ILE 350.A N THR 325.A O no hydrogen 2.960 N/A THR 352.A OG1 HIS 288.A O no hydrogen 3.344 N/A ILE 353.A N HIS 288.A O no hydrogen 2.916 N/A GLY 358.A N VAL 375.A O no hydrogen 2.829 N/A LEU 359.A N GLU 356.A O no hydrogen 3.106 N/A ARG 360.A NH1 GLY 358.A O no hydrogen 3.385 N/A ARG 360.A NH2 GLN 83.A OE1 no hydrogen 2.915 N/A PHE 361.A N GLY 373.A O no hydrogen 3.125 N/A ALA 362.A N TYR 318.A O no hydrogen 3.121 N/A ILE 363.A N GLY 371.A O no hydrogen 2.989 N/A ARG 364.A N GLN 316.A O no hydrogen 2.711 N/A ARG 364.A NE ASP 323.A OD2 no hydrogen 3.076 N/A ARG 364.A NH2 ASP 323.A OD1 no hydrogen 3.411 N/A ARG 364.A NH2 ASP 323.A OD2 no hydrogen 2.868 N/A GLU 365.A N ARG 368.A O no hydrogen 3.340 N/A VAL 370.A N ILE 363.A O no hydrogen 2.910 N/A ALA 372.A N TYR 296.A O no hydrogen 2.781 N/A GLY 373.A N PHE 361.A O no hydrogen 3.037 N/A VAL 374.A N GLU 294.A O no hydrogen 2.926 N/A VAL 375.A N LEU 359.A O no hydrogen 2.938 N/A ALA 376.A N THR 292.A O no hydrogen 2.741 N/A LYS 377.A N THR 292.A O no hydrogen 3.389 N/A ILE 378.A N ASP 357.A OD1 no hydrogen 3.109 N/A ILE 379.A N LYS 290.A O no hydrogen 2.997 N/A GLU 380.A N LYS 290.A O no hydrogen 3.239 N/A