Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 11.A N PRO 349.A O no hydrogen 3.053 N/A ASN 12.A ND2 VAL 16.A O no hydrogen 3.483 N/A ALA 13.A N VAL 351.A O no hydrogen 2.772 N/A THR 14.A N ASN 12.A OD1 no hydrogen 2.534 N/A THR 14.A OG1 ASN 12.A OD1 no hydrogen 2.298 N/A ASN 21.A N ASN 19.A OD1 no hydrogen 2.738 N/A LEU 22.A N ASN 19.A OD1 no hydrogen 3.023 N/A ARG 24.A N ASN 19.A O no hydrogen 2.934 N/A ARG 24.A NH1 ASP 219.A OD1 no hydrogen 2.732 N/A ARG 24.A NH1 ASP 219.A OD2 no hydrogen 3.257 N/A ALA 25.A N ASP 219.A O no hydrogen 3.378 N/A SER 28.A OG ASP 271.A O no hydrogen 2.863 N/A ILE 32.A N SER 28.A O no hydrogen 3.078 N/A ASN 33.A N LYS 29.A O no hydrogen 2.806 N/A PHE 34.A N ASP 30.A O no hydrogen 3.180 N/A ILE 35.A N VAL 31.A O no hydrogen 2.770 N/A SER 36.A N ILE 32.A O no hydrogen 2.664 N/A GLU 37.A N ASN 33.A O no hydrogen 2.772 N/A ILE 38.A N PHE 34.A O no hydrogen 3.130 N/A ALA 39.A N ILE 35.A O no hydrogen 3.161 N/A ALA 39.A N SER 36.A O no hydrogen 3.269 N/A ASN 40.A N SER 36.A O no hydrogen 3.001 N/A ASN 44.A N ASN 44.A OD1 no hydrogen 2.554 N/A ASN 48.A N LYS 53.A O no hydrogen 2.740 N/A GLU 50.A N ASN 48.A OD1 no hydrogen 3.259 N/A GLY 52.A N ASN 48.A O no hydrogen 2.715 N/A ARG 57.A NH1 ILE 250.A O no hydrogen 2.865 N/A ARG 57.A NH2 GLU 46.A OE2 no hydrogen 2.514 N/A HIS 60.A ND1 ARG 57.A O no hydrogen 2.473 N/A ILE 61.A N ILE 58.A O no hydrogen 2.727 N/A GLU 62.A N ILE 58.A O no hydrogen 3.101 N/A LEU 65.A N ILE 61.A O no hydrogen 3.269 N/A ASN 66.A N GLU 62.A O no hydrogen 2.865 N/A GLU 67.A N LYS 63.A O no hydrogen 3.114 N/A LEU 68.A N TYR 64.A O no hydrogen 2.854 N/A THR 69.A N LEU 65.A O no hydrogen 2.934 N/A THR 69.A OG1 LEU 65.A O no hydrogen 2.845 N/A GLY 70.A N ASN 66.A O no hydrogen 2.943 N/A ALA 71.A N THR 69.A OG1 no hydrogen 3.318 N/A SER 73.A N GLY 231.A O no hydrogen 3.140 N/A SER 74.A OG GLU 62.A O no hydrogen 3.375 N/A SER 74.A OG ASN 66.A OD1 no hydrogen 2.954 N/A PHE 75.A N ILE 229.A O no hydrogen 2.956 N/A VAL 77.A N GLY 227.A O no hydrogen 2.776 N/A ASN 78.A N LEU 248.A O no hydrogen 2.726 N/A ASN 80.A ND2 ASP 182.A OD1 no hydrogen 2.627 N/A GLY 82.A N ASN 79.A OD1 no hydrogen 2.604 N/A ALA 83.A N ASN 79.A O no hydrogen 3.052 N/A VAL 84.A N ASN 80.A O no hydrogen 2.853 N/A PHE 85.A N ALA 81.A O no hydrogen 2.844 N/A LEU 86.A N GLY 82.A O no hydrogen 2.676 N/A VAL 87.A N ALA 83.A O no hydrogen 2.675 N/A LEU 88.A N VAL 84.A O no hydrogen 3.118 N/A ASN 89.A N PHE 85.A O no hydrogen 2.837 N/A ASN 89.A ND2 SER 119.A O no hydrogen 3.269 N/A THR 90.A N LEU 86.A O no hydrogen 2.927 N/A THR 90.A OG1 LEU 86.A O no hydrogen 2.867 N/A LEU 91.A N VAL 87.A O no hydrogen 3.072 N/A ALA 92.A N LEU 88.A O no hydrogen 2.920 N/A GLY 94.A N GLY 120.A O no hydrogen 2.816 N/A LYS 95.A N ALA 92.A O no hydrogen 2.986 N/A GLU 96.A N ASN 144.A O no hydrogen 2.837 N/A VAL 97.A N ILE 122.A O no hydrogen 2.686 N/A ILE 98.A N LEU 147.A O no hydrogen 2.912 N/A ILE 99.A N ARG 124.A O no hydrogen 3.098 N/A SER 100.A OG THR 132.A OG1 no hydrogen 2.974 N/A ARG 101.A N VAL 126.A O no hydrogen 2.716 N/A ARG 101.A NE GLY 127.A O no hydrogen 2.826 N/A GLY 102.A N SER 100.A OG no hydrogen 3.030 N/A GLU 103.A N SER 100.A O no hydrogen 2.915 N/A ILE 107.A N PHE 111.A O no hydrogen 3.063 N/A ARG 112.A NE GLU 106.A OE1 no hydrogen 3.106 N/A ILE 113.A N VAL 105.A O no hydrogen 2.969 N/A ASP 115.A N ARG 112.A O no hydrogen 2.690 N/A ILE 116.A N ARG 112.A O no hydrogen 2.868 N/A LYS 118.A N ASP 115.A O no hydrogen 3.278 N/A GLY 120.A N LYS 117.A O no hydrogen 2.938 N/A ALA 121.A N SER 119.A OG no hydrogen 3.283 N/A ILE 122.A N LYS 95.A O no hydrogen 2.811 N/A ARG 124.A N VAL 97.A O no hydrogen 2.945 N/A VAL 126.A N ILE 99.A O no hydrogen 2.971 N/A THR 128.A N LYS 131.A O no hydrogen 2.981 N/A THR 128.A OG1 ASN 130.A OD1 no hydrogen 3.255 N/A THR 128.A OG1 LYS 131.A O no hydrogen 2.554 N/A ASN 130.A ND2 PHE 159.A O no hydrogen 3.301 N/A LYS 131.A N THR 128.A OG1 no hydrogen 2.976 N/A THR 132.A N GLU 161.A O no hydrogen 3.365 N/A THR 132.A OG1 SER 100.A OG no hydrogen 2.974 N/A THR 132.A OG1 THR 128.A O no hydrogen 3.305 N/A LYS 133.A N ASP 136.A OD2 no hydrogen 2.662 N/A LYS 133.A NZ GLU 161.A OE1 no hydrogen 3.014 N/A ASP 136.A N LYS 133.A O no hydrogen 3.209 N/A GLU 138.A N VAL 134.A O no hydrogen 3.098 N/A GLY 139.A N SER 135.A O no hydrogen 2.845 N/A ALA 140.A N TYR 137.A O no hydrogen 3.121 N/A ILE 141.A N GLU 138.A O no hydrogen 3.241 N/A ASN 142.A N THR 145.A OG1 no hydrogen 2.930 N/A ASN 142.A ND2 GLU 96.A OE2 no hydrogen 2.843 N/A ASN 142.A ND2 ALA 140.A O no hydrogen 3.659 N/A ASN 144.A N ASN 142.A OD1 no hydrogen 2.536 N/A THR 145.A N ASN 142.A O no hydrogen 3.286 N/A ALA 146.A N GLU 96.A O no hydrogen 2.845 N/A LEU 148.A N PRO 178.A O no hydrogen 3.041 N/A LYS 149.A NZ GLU 103.A OE1 no hydrogen 3.548 N/A LYS 149.A NZ GLU 103.A OE2 no hydrogen 3.141 N/A VAL 150.A N GLU 103.A OE1 no hydrogen 3.351 N/A HIS 151.A N ASP 182.A O no hydrogen 2.835 N/A HIS 151.A NE2 GLU 200.A OE1 no hydrogen 2.871 N/A ASN 154.A ND2 GLU 106.A O no hydrogen 2.951 N/A GLU 161.A N ASN 130.A O no hydrogen 2.992 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.427 N/A LEU 168.A N LYS 164.A O no hydrogen 3.346 N/A VAL 169.A N LEU 165.A O no hydrogen 2.995 N/A LYS 170.A N GLU 166.A O no hydrogen 2.789 N/A LEU 171.A N ASP 167.A O no hydrogen 2.658 N/A GLY 172.A N LEU 168.A O no hydrogen 2.715 N/A HIS 173.A N VAL 169.A O no hydrogen 2.888 N/A LYS 174.A N LYS 170.A O no hydrogen 3.114 N/A TYR 175.A N LEU 171.A O no hydrogen 3.230 N/A TYR 175.A OH GLU 138.A OE2 no hydrogen 2.903 N/A ILE 177.A N GLY 172.A O no hydrogen 2.876 N/A THR 179.A N ASP 212.A OD2 no hydrogen 3.336 N/A TYR 180.A N LEU 148.A O no hydrogen 2.807 N/A TYR 180.A OH SER 215.A OG no hydrogen 2.544 N/A TYR 181.A N LEU 213.A O no hydrogen 2.814 N/A ASP 182.A N LYS 149.A O no hydrogen 2.883 N/A ALA 183.A N SER 215.A O no hydrogen 3.117 N/A SER 185.A OG GLU 200.A OE2 no hydrogen 2.775 N/A LYS 192.A N ASN 190.A OD1 no hydrogen 3.265 N/A PHE 194.A N LEU 191.A O no hydrogen 2.872 N/A GLY 195.A N LYS 192.A O no hydrogen 3.223 N/A ASN 202.A ND2 ASP 205.A OD2 no hydrogen 2.328 N/A PHE 203.A N LEU 187.A O no hydrogen 3.079 N/A ARG 204.A NE LEU 68.A O no hydrogen 3.528 N/A ASP 205.A N ASN 202.A OD1 no hydrogen 2.795 N/A CYS 206.A N ASN 202.A O no hydrogen 3.220 N/A ILE 207.A N PHE 203.A O no hydrogen 2.971 N/A ILE 207.A N ARG 204.A O no hydrogen 3.239 N/A SER 208.A N ARG 204.A O no hydrogen 2.984 N/A SER 208.A OG ARG 204.A O no hydrogen 3.077 N/A SER 208.A OG ASP 205.A O no hydrogen 3.359 N/A GLY 210.A N ILE 207.A O no hydrogen 2.897 N/A ASP 212.A N THR 179.A O no hydrogen 3.179 N/A LEU 213.A N THR 179.A O no hydrogen 3.195 N/A VAL 214.A N VAL 230.A O no hydrogen 2.938 N/A SER 215.A N TYR 181.A O no hydrogen 2.996 N/A SER 215.A OG ASN 80.A OD1 no hydrogen 3.252 N/A SER 215.A OG TYR 180.A OH no hydrogen 2.544 N/A GLY 216.A N ILE 228.A O no hydrogen 3.108 N/A SER 217.A N GLY 184.A O no hydrogen 3.176 N/A SER 217.A OG GLY 184.A O no hydrogen 3.218 N/A LEU 220.A N SER 185.A O no hydrogen 3.083 N/A GLY 223.A N GLY 218.A O no hydrogen 2.879 N/A GLN 225.A NE2 ASN 78.A OD1 no hydrogen 3.260 N/A GLY 227.A N VAL 77.A O no hydrogen 2.791 N/A ILE 228.A N GLY 216.A O no hydrogen 2.908 N/A ILE 229.A N PHE 75.A O no hydrogen 2.905 N/A VAL 230.A N VAL 214.A O no hydrogen 2.963 N/A GLY 231.A N SER 73.A O no hydrogen 3.100 N/A LYS 232.A N ASP 212.A O no hydrogen 3.058 N/A LYS 233.A N GLU 72.A OE1 no hydrogen 2.477 N/A LEU 235.A N LYS 232.A O no hydrogen 2.944 N/A ILE 236.A N LYS 232.A O no hydrogen 3.076 N/A GLU 237.A N LYS 233.A O no hydrogen 2.891 N/A ILE 239.A N LEU 235.A O no hydrogen 2.971 N/A LYS 240.A N ILE 236.A O no hydrogen 2.720 N/A LYS 241.A N GLU 237.A O no hydrogen 3.257 N/A ASN 242.A N ILE 239.A O no hydrogen 2.971 N/A ASN 242.A ND2 ASN 89.A OD1 no hydrogen 2.765 N/A ASN 242.A ND2 THR 90.A OG1 no hydrogen 2.829 N/A ILE 244.A N ASN 242.A OD1 no hydrogen 2.960 N/A ALA 245.A N ASN 242.A O no hydrogen 2.853 N/A ARG 246.A N PRO 243.A O no hydrogen 3.133 N/A ARG 246.A NH1 ARG 246.A O no hydrogen 2.621 N/A ALA 247.A N ILE 244.A O no hydrogen 2.668 N/A LEU 248.A N ILE 244.A O no hydrogen 3.210 N/A THR 254.A N ASP 251.A OD1 no hydrogen 3.376 N/A THR 254.A N ASP 251.A OD2 no hydrogen 3.249 N/A THR 254.A OG1 ASP 251.A O no hydrogen 3.428 N/A THR 254.A OG1 ASP 251.A OD2 no hydrogen 2.334 N/A LEU 255.A N ASP 251.A O no hydrogen 3.087 N/A SER 256.A N LYS 252.A O no hydrogen 3.004 N/A SER 256.A OG LYS 252.A O no hydrogen 2.738 N/A GLY 257.A N LEU 253.A O no hydrogen 2.870 N/A LEU 258.A N THR 254.A O no hydrogen 2.668 N/A GLU 259.A N LEU 255.A O no hydrogen 2.923 N/A THR 260.A OG1 GLY 257.A O no hydrogen 2.544 N/A LEU 261.A N LEU 258.A O no hydrogen 2.901 N/A LYS 262.A N GLU 259.A O no hydrogen 2.873 N/A LYS 262.A NZ GLU 266.A OE2 no hydrogen 2.585 N/A TYR 264.A N THR 260.A O no hydrogen 3.144 N/A TYR 264.A OH LEU 221.A O no hydrogen 2.452 N/A PHE 265.A N LEU 261.A O no hydrogen 2.876 N/A GLU 266.A N LYS 262.A O no hydrogen 2.851 N/A LYS 267.A N TYR 264.A O no hydrogen 2.822 N/A ARG 268.A N LEU 263.A O no hydrogen 3.071 N/A ARG 268.A NE ASP 271.A OD2 no hydrogen 3.144 N/A ARG 268.A NH1 ASP 271.A OD2 no hydrogen 2.728 N/A ARG 268.A NH2 GLU 266.A OE1 no hydrogen 3.126 N/A ASP 271.A N ARG 268.A O no hydrogen 2.785 N/A ILE 272.A N TYR 269.A O no hydrogen 2.839 N/A ARG 276.A N ILE 272.A O no hydrogen 3.064 N/A THR 278.A N ILE 275.A O no hydrogen 3.025 N/A THR 278.A N ARG 276.A O no hydrogen 3.333 N/A THR 278.A OG1 ILE 275.A O no hydrogen 2.732 N/A THR 278.A OG1 ARG 276.A O no hydrogen 3.409 N/A LEU 284.A N ASP 280.A O no hydrogen 3.123 N/A ARG 285.A N GLU 281.A O no hydrogen 3.118 N/A GLN 286.A N LYS 282.A O no hydrogen 2.664 N/A LYS 287.A N ALA 283.A O no hydrogen 2.939 N/A LYS 287.A NZ VAL 365.A O no hydrogen 2.810 N/A ALA 288.A N LEU 284.A O no hydrogen 2.848 N/A ALA 288.A N ARG 285.A O no hydrogen 2.648 N/A LYS 289.A N ARG 285.A O no hydrogen 2.913 N/A LYS 289.A NZ GLU 292.A OE1 no hydrogen 2.989 N/A ARG 290.A N GLN 286.A O no hydrogen 3.129 N/A ARG 290.A NH2 HIS 367.A O no hydrogen 3.004 N/A LEU 291.A N ALA 288.A O no hydrogen 3.318 N/A GLU 292.A N ALA 288.A O no hydrogen 3.122 N/A LYS 293.A N LYS 289.A O no hydrogen 3.099 N/A LEU 294.A N LEU 291.A O no hydrogen 2.840 N/A LEU 295.A N GLU 292.A O no hydrogen 3.214 N/A LYS 296.A NZ ASP 297.A OD1 no hydrogen 3.066 N/A ILE 298.A N LEU 295.A O no hydrogen 3.209 N/A LYS 302.A N ARG 330.A O no hydrogen 2.815 N/A SER 304.A N ALA 328.A O no hydrogen 2.886 N/A ILE 306.A N CYS 326.A O no hydrogen 3.075 N/A LYS 307.A NZ GLU 281.A OE1 no hydrogen 3.443 N/A ASP 308.A N THR 324.A O no hydrogen 2.904 N/A LYS 309.A N ASP 308.A OD1 no hydrogen 2.512 N/A ALA 310.A N LEU 322.A O no hydrogen 2.841 N/A GLY 314.A N ILE 18.A O no hydrogen 3.041 N/A GLY 315.A N ILE 18.A O no hydrogen 3.371 N/A LEU 320.A N LEU 317.A O no hydrogen 2.980 N/A LEU 322.A N ALA 310.A O no hydrogen 2.801 N/A THR 324.A N ASP 308.A O no hydrogen 2.717 N/A THR 324.A OG1 ASP 362.A OD1 no hydrogen 3.092 N/A VAL 327.A N PHE 361.A O no hydrogen 2.886 N/A ALA 328.A N SER 304.A O no hydrogen 2.951 N/A ILE 329.A N LEU 359.A O no hydrogen 3.116 N/A ARG 330.A N LYS 302.A O no hydrogen 2.939 N/A ARG 333.A N HIS 331.A ND1 no hydrogen 3.256 N/A ARG 333.A NH1 LEU 381.A O no hydrogen 3.197 N/A LEU 334.A N HIS 331.A ND1 no hydrogen 3.205 N/A SER 336.A N ASP 357.A OD1 no hydrogen 3.337 N/A SER 336.A OG ASP 357.A OD1 no hydrogen 2.639 N/A GLN 337.A N SER 335.A OG no hydrogen 2.973 N/A GLU 338.A N SER 335.A O no hydrogen 2.927 N/A LEU 339.A N SER 335.A O no hydrogen 2.819 N/A SER 340.A N SER 336.A O no hydrogen 2.847 N/A SER 340.A OG SER 336.A O no hydrogen 3.487 N/A SER 340.A OG GLN 337.A O no hydrogen 3.107 N/A ARG 341.A N GLN 337.A O no hydrogen 3.316 N/A ARG 341.A NH2 GLU 338.A OE2 no hydrogen 2.810 N/A ARG 342.A N GLU 338.A O no hydrogen 3.171 N/A ARG 342.A N LEU 339.A O no hydrogen 3.262 N/A ARG 342.A NE GLU 338.A OE2 no hydrogen 2.996 N/A ARG 342.A NH2 GLU 338.A OE2 no hydrogen 3.520 N/A LEU 343.A N LEU 339.A O no hydrogen 3.030 N/A ARG 344.A N SER 340.A O no hydrogen 3.070 N/A LEU 345.A N ARG 342.A O no hydrogen 3.102 N/A ILE 350.A N LEU 343.A O no hydrogen 2.653 N/A VAL 351.A N ILE 11.A O no hydrogen 3.040 N/A ARG 353.A N LEU 360.A O no hydrogen 3.350 N/A ARG 353.A NE THR 14.A O no hydrogen 3.113 N/A ARG 355.A N GLN 358.A O no hydrogen 2.881 N/A ARG 355.A NH1 ASP 308.A OD2 no hydrogen 2.505 N/A GLN 358.A N ARG 355.A O no hydrogen 2.882 N/A LEU 359.A N ILE 329.A O no hydrogen 3.416 N/A LEU 360.A N ARG 353.A O no hydrogen 2.927 N/A PHE 361.A N VAL 327.A O no hydrogen 3.162 N/A ASP 362.A N ALA 13.A O no hydrogen 2.905 N/A ARG 363.A NH1 GLN 279.A O no hydrogen 3.521 N/A THR 364.A OG1 ASN 12.A O no hydrogen 3.108 N/A GLU 368.A N GLU 368.A OE1 no hydrogen 2.388 N/A ASP 369.A N PHE 366.A O no hydrogen 3.418 N/A THR 372.A OG1 GLU 368.A O no hydrogen 3.410 N/A ILE 373.A N ASP 369.A O no hydrogen 3.009 N/A ILE 373.A N LEU 370.A O no hydrogen 2.737 N/A LYS 374.A N LEU 370.A O no hydrogen 3.119 N/A LYS 375.A N LYS 371.A O no hydrogen 3.114 N/A THR 376.A N THR 372.A O no hydrogen 3.139 N/A THR 376.A OG1 THR 372.A O no hydrogen 2.330 N/A LEU 377.A N ILE 373.A O no hydrogen 2.980 N/A GLN 378.A N LYS 374.A O no hydrogen 3.115 N/A GLU 379.A N LYS 375.A O no hydrogen 3.316 N/A LEU 380.A N LEU 377.A O no hydrogen 3.038 N/A LEU 381.A N LEU 377.A O no hydrogen 2.895 N/A SER 382.A N GLN 378.A O no hydrogen 2.906 N/A