Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4wwv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A NE TRP 169.A O no hydrogen 2.874 N/A ARG 3.A NH1 GLU 166.A OE1 no hydrogen 3.455 N/A ARG 3.A NH2 GLU 166.A OE1 no hydrogen 2.632 N/A ARG 3.A NH2 TRP 169.A O no hydrogen 3.422 N/A GLY 4.A N GLU 1.A O no hydrogen 3.357 N/A TYR 6.A N TRP 2.A O no hydrogen 3.003 N/A TYR 6.A OH SER 338.A OG no hydrogen 2.777 N/A ILE 7.A N ARG 3.A O no hydrogen 3.098 N/A GLU 8.A N GLY 4.A O no hydrogen 3.108 N/A LEU 9.A N GLN 5.A O no hydrogen 3.250 N/A ILE 10.A N TYR 6.A O no hydrogen 2.900 N/A LYS 11.A N ILE 7.A O no hydrogen 2.801 N/A LYS 11.A NZ GLU 8.A OE2 no hydrogen 3.463 N/A LYS 12.A N GLU 8.A O no hydrogen 3.060 N/A LEU 13.A N LEU 9.A O no hydrogen 3.081 N/A THR 14.A N ILE 10.A O no hydrogen 2.757 N/A THR 14.A OG1 ILE 10.A O no hydrogen 2.588 N/A SER 15.A N LYS 11.A O no hydrogen 3.068 N/A SER 15.A OG LYS 11.A O no hydrogen 3.176 N/A ALA 18.A N GLU 70.A OE1 no hydrogen 3.211 N/A SER 20.A N GLU 70.A O no hydrogen 3.243 N/A SER 20.A OG ASP 69.A OD2 no hydrogen 2.804 N/A GLY 21.A N GLU 23.A OE2 no hydrogen 3.014 N/A ARG 22.A N PRO 19.A O no hydrogen 2.909 N/A ARG 22.A NH1 GLY 21.A O no hydrogen 3.550 N/A GLU 23.A N GLU 23.A OE1 no hydrogen 2.639 N/A LYS 27.A N GLU 23.A O no hydrogen 2.849 N/A LYS 27.A NZ ASP 28.A OD1 no hydrogen 3.196 N/A ASP 28.A N ASP 24.A O no hydrogen 2.949 N/A LEU 29.A N PRO 25.A O no hydrogen 3.521 N/A VAL 30.A N VAL 26.A O no hydrogen 2.948 N/A ALA 31.A N LYS 27.A O no hydrogen 3.460 N/A GLU 32.A N ASP 28.A O no hydrogen 3.250 N/A LEU 33.A N LEU 29.A O no hydrogen 2.875 N/A MET 34.A N VAL 30.A O no hydrogen 2.856 N/A MET 34.A N ALA 31.A O no hydrogen 3.116 N/A MET 34.A SD LEU 202.A O no hydrogen 3.858 N/A LYS 35.A N GLU 32.A O no hydrogen 3.248 N/A HIS 37.A N MET 34.A O no hydrogen 3.251 N/A VAL 38.A N LYS 35.A O no hydrogen 3.417 N/A ASP 39.A N TYR 52.A O no hydrogen 2.697 N/A LYS 40.A N TYR 52.A O no hydrogen 3.139 N/A TRP 42.A N VAL 50.A O no hydrogen 2.890 N/A ASP 44.A N ASN 48.A O no hydrogen 2.971 N/A GLY 47.A N ASP 44.A O no hydrogen 3.142 N/A ASN 48.A N ASP 44.A OD1 no hydrogen 2.756 N/A ASN 48.A ND2 ASP 44.A OD2 no hydrogen 2.826 N/A ASN 48.A ND2 GLY 214.A O no hydrogen 3.386 N/A VAL 49.A N ALA 204.A O no hydrogen 3.098 N/A VAL 50.A N TRP 42.A O no hydrogen 2.695 N/A GLY 51.A N LEU 202.A O no hydrogen 2.772 N/A TYR 52.A N LYS 40.A O no hydrogen 2.614 N/A TYR 52.A OH ASP 199.A OD2 no hydrogen 2.173 N/A ARG 53.A N VAL 200.A O no hydrogen 2.754 N/A ARG 53.A NE HIS 37.A O no hydrogen 3.166 N/A ARG 53.A NH1 LEU 193.A O no hydrogen 2.690 N/A ARG 53.A NH2 LEU 193.A O no hydrogen 3.301 N/A ARG 53.A NH2 HIS 196.A NE2 no hydrogen 3.451 N/A LYS 54.A N ASP 39.A OD2 no hydrogen 2.804 N/A GLY 55.A N ASP 199.A OD1 no hydrogen 3.349 N/A SER 56.A N HIS 196.A O no hydrogen 2.572 N/A SER 56.A OG SER 56.A O no hydrogen 2.480 N/A SER 56.A OG HIS 196.A O no hydrogen 3.569 N/A LYS 57.A NZ SER 56.A O no hydrogen 3.128 N/A LYS 57.A NZ ASP 197.A OD1 no hydrogen 3.477 N/A LYS 61.A N ASP 225.A OD2 no hydrogen 2.369 N/A LYS 61.A NZ SER 223.A O no hydrogen 2.649 N/A ILE 62.A N ASP 199.A O no hydrogen 2.966 N/A MET 63.A N VAL 226.A O no hydrogen 2.921 N/A ILE 64.A N TYR 201.A O no hydrogen 2.838 N/A ALA 65.A N LEU 228.A O no hydrogen 2.649 N/A ALA 66.A N VAL 203.A O no hydrogen 3.042 N/A HIS 67.A N ASP 179.A OD2 no hydrogen 3.268 N/A HIS 67.A ND1 ASP 69.A O no hydrogen 2.973 N/A MET 68.A N THR 205.A O no hydrogen 2.725 N/A GLU 70.A N ALA 18.A O no hydrogen 3.258 N/A GLY 72.A N ILE 89.A O no hydrogen 3.336 N/A LEU 73.A N ALA 158.A O no hydrogen 3.000 N/A PHE 74.A N ILE 87.A O no hydrogen 2.950 N/A ILE 75.A N ASP 156.A O no hydrogen 2.913 N/A SER 76.A N ARG 85.A O no hydrogen 2.716 N/A SER 76.A OG ARG 85.A O no hydrogen 2.992 N/A GLU 79.A N PHE 83.A O no hydrogen 2.678 N/A GLY 82.A N GLU 79.A O no hydrogen 3.031 N/A LEU 84.A N ILE 137.A O no hydrogen 3.082 N/A ARG 85.A N HIS 77.A O no hydrogen 2.946 N/A ARG 85.A NE GLU 79.A OE2 no hydrogen 3.062 N/A ARG 85.A NH1 LEU 135.A O no hydrogen 2.747 N/A ILE 87.A N PHE 74.A O no hydrogen 3.131 N/A ILE 89.A N GLY 72.A O no hydrogen 2.738 N/A VAL 92.A N GLY 90.A O no hydrogen 2.852 N/A GLU 94.A N GLU 94.A OE2 no hydrogen 2.664 N/A THR 96.A N LEU 93.A O no hydrogen 3.053 N/A THR 96.A OG1 LEU 93.A O no hydrogen 2.720 N/A LEU 97.A N GLU 94.A O no hydrogen 3.011 N/A ARG 101.A NH1 ASP 161.A OD2 no hydrogen 3.231 N/A VAL 102.A N GLY 114.A O no hydrogen 2.752 N/A VAL 103.A N VAL 159.A O no hydrogen 2.753 N/A VAL 104.A N TYR 112.A O no hydrogen 2.825 N/A ARG 105.A N ILE 157.A O no hydrogen 3.092 N/A THR 106.A OG1 ARG 110.A O no hydrogen 2.494 N/A ARG 107.A N ASP 156.A OD2 no hydrogen 3.242 N/A GLY 109.A N ASP 108.A OD1 no hydrogen 2.307 N/A ARG 110.A NE ASP 108.A OD2 no hydrogen 3.204 N/A ARG 110.A NH2 ASP 108.A OD2 no hydrogen 3.451 N/A TYR 112.A N VAL 104.A O no hydrogen 2.942 N/A TYR 112.A OH MET 150.A O no hydrogen 2.427 N/A GLY 114.A N VAL 102.A O no hydrogen 2.761 N/A VAL 115.A N ASP 138.A O no hydrogen 2.903 N/A ILE 116.A N GLN 100.A O no hydrogen 2.998 N/A GLY 117.A N PHE 136.A O no hydrogen 3.102 N/A GLU 134.A N GLU 131.A O no hydrogen 2.633 N/A LEU 135.A N LEU 132.A O no hydrogen 3.098 N/A ILE 137.A N LEU 84.A O no hydrogen 2.728 N/A ASP 138.A N VAL 115.A O no hydrogen 2.686 N/A GLY 140.A N ASP 138.A OD1 no hydrogen 3.097 N/A SER 142.A N GLU 146.A OE1 no hydrogen 3.271 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 2.894 N/A GLU 146.A N SER 143.A OG no hydrogen 2.922 N/A VAL 147.A N SER 143.A O no hydrogen 3.139 N/A GLU 148.A N LYS 144.A O no hydrogen 2.917 N/A LYS 149.A N GLU 145.A O no hydrogen 2.867 N/A MET 150.A N VAL 147.A O no hydrogen 2.720 N/A GLY 151.A N GLU 148.A O no hydrogen 2.703 N/A ARG 153.A N ASP 156.A OD2 no hydrogen 2.736 N/A ARG 153.A NE ILE 152.A O no hydrogen 3.268 N/A ARG 153.A NH2 GLU 148.A O no hydrogen 2.301 N/A GLY 155.A N ILE 75.A O no hydrogen 2.931 N/A ASP 156.A N ARG 153.A O no hydrogen 2.982 N/A ALA 158.A N LEU 73.A O no hydrogen 2.682 N/A VAL 159.A N VAL 103.A O no hydrogen 2.979 N/A ASP 161.A N ARG 101.A O no hydrogen 2.885 N/A ALA 165.A N THR 173.A O no hydrogen 3.019 N/A LEU 167.A N ARG 171.A O no hydrogen 2.840 N/A ARG 171.A NE ASP 330.A OD2 no hydrogen 2.978 N/A ARG 171.A NH2 ASP 330.A OD2 no hydrogen 3.475 N/A ILE 172.A N VAL 329.A O no hydrogen 3.083 N/A THR 173.A N ALA 165.A O no hydrogen 2.943 N/A SER 174.A N GLU 327.A O no hydrogen 3.298 N/A SER 174.A OG LYS 175.A O no hydrogen 2.999 N/A LYS 175.A NZ THR 14.A O no hydrogen 2.633 N/A LYS 175.A NZ LEU 16.A O no hydrogen 3.363 N/A LYS 175.A NZ HIS 17.A ND1 no hydrogen 3.349 N/A LYS 175.A NZ GLU 70.A OE1 no hydrogen 3.301 N/A ASP 178.A N GLU 327.A OE1 no hydrogen 3.439 N/A ARG 180.A NE MET 68.A O no hydrogen 2.697 N/A ARG 180.A NH1 LEU 16.A O no hydrogen 2.995 N/A ARG 180.A NH2 MET 68.A O no hydrogen 2.973 N/A ARG 180.A NH2 GLU 70.A OE1 no hydrogen 3.335 N/A VAL 181.A N PHE 177.A O no hydrogen 2.805 N/A GLY 182.A N ASP 179.A O no hydrogen 2.341 N/A VAL 183.A N ASP 179.A O no hydrogen 3.089 N/A VAL 184.A N ARG 180.A O no hydrogen 2.932 N/A VAL 185.A N VAL 181.A O no hydrogen 3.078 N/A MET 186.A N GLY 182.A O no hydrogen 3.023 N/A LEU 187.A N VAL 183.A O no hydrogen 2.727 N/A LYS 188.A N VAL 184.A O no hydrogen 2.810 N/A LYS 188.A NZ GLU 191.A OE1 no hydrogen 3.475 N/A LYS 188.A NZ GLU 191.A OE2 no hydrogen 2.827 N/A ALA 189.A N VAL 185.A O no hydrogen 2.993 N/A ALA 189.A N MET 186.A O no hydrogen 3.087 N/A LEU 190.A N MET 186.A O no hydrogen 3.078 N/A LEU 190.A N LEU 187.A O no hydrogen 3.238 N/A GLU 194.A N GLU 346.A OE2 no hydrogen 3.454 N/A HIS 196.A ND1 VAL 198.A O no hydrogen 2.643 N/A ASP 199.A N GLY 60.A O no hydrogen 2.963 N/A VAL 200.A N ARG 53.A O no hydrogen 2.624 N/A TYR 201.A N ILE 62.A O no hydrogen 2.940 N/A LEU 202.A N GLY 51.A O no hydrogen 2.939 N/A VAL 203.A N ILE 64.A O no hydrogen 2.836 N/A ALA 204.A N VAL 49.A O no hydrogen 2.971 N/A THR 205.A N ALA 66.A O no hydrogen 2.500 N/A THR 205.A OG1 ALA 66.A O no hydrogen 2.867 N/A VAL 206.A N ASN 48.A OD1 no hydrogen 3.217 N/A GLN 207.A N GLU 23.A OE2 no hydrogen 2.843 N/A GLU 208.A N ASP 69.A OD1 no hydrogen 2.918 N/A GLU 209.A N ASP 69.A OD2 no hydrogen 2.913 N/A GLY 211.A N GLU 208.A O no hydrogen 2.777 N/A LEU 212.A N GLU 208.A O no hydrogen 2.990 N/A LYS 213.A N GLN 207.A O no hydrogen 3.093 N/A GLY 214.A N VAL 206.A O no hydrogen 3.042 N/A LYS 216.A N LEU 212.A O no hydrogen 3.295 N/A LYS 216.A N LYS 213.A O no hydrogen 3.190 N/A THR 217.A N LYS 213.A O no hydrogen 3.421 N/A THR 217.A OG1 GLY 214.A O no hydrogen 3.407 N/A SER 218.A N GLY 214.A O no hydrogen 3.001 N/A TYR 220.A N THR 217.A O no hydrogen 3.219 N/A ILE 222.A N ALA 219.A O no hydrogen 3.337 N/A SER 223.A OG TYR 220.A O no hydrogen 2.678 N/A ASP 225.A N LYS 61.A O no hydrogen 2.752 N/A VAL 226.A N LYS 61.A O no hydrogen 3.368 N/A ALA 227.A N ALA 311.A O no hydrogen 2.768 N/A LEU 228.A N MET 63.A O no hydrogen 2.591 N/A ALA 229.A N GLY 313.A O no hydrogen 3.037 N/A ILE 230.A N ALA 65.A O no hydrogen 2.812 N/A ASP 231.A N ILE 315.A O no hydrogen 3.399 N/A VAL 232.A N ASP 231.A OD1 no hydrogen 2.951 N/A THR 233.A N ILE 317.A O no hydrogen 2.964 N/A THR 233.A OG1 ASP 291.A OD1 no hydrogen 3.332 N/A THR 233.A OG1 ASP 291.A OD2 no hydrogen 3.493 N/A ALA 235.A N SER 319.A O no hydrogen 3.038 N/A SER 236.A N TRP 246.A O no hydrogen 2.756 N/A GLU 245.A N ALA 242.A O no hydrogen 2.875 N/A TRP 246.A NE1 VAL 241.A O no hydrogen 3.283 N/A THR 248.A OG1 ILE 234.A O no hydrogen 2.660 N/A ARG 249.A N GLN 289.A OE1 no hydrogen 3.208 N/A LEU 250.A N ASP 237.A OD2 no hydrogen 3.042 N/A GLY 251.A N ASP 333.A OD2 no hydrogen 2.857 N/A TYR 252.A N ARG 249.A O no hydrogen 3.446 N/A GLY 253.A N ASP 333.A OD1 no hydrogen 2.824 N/A ALA 255.A N SER 316.A O no hydrogen 2.802 N/A ILE 256.A N GLN 289.A O no hydrogen 2.762 N/A LYS 257.A N THR 314.A O no hydrogen 3.017 N/A LYS 257.A NZ ASP 291.A OD2 no hydrogen 2.133 N/A ILE 258.A N ASP 291.A O no hydrogen 2.884 N/A VAL 259.A N ASP 291.A O no hydrogen 3.280 N/A ASP 260.A N LEU 267.A O no hydrogen 3.110 N/A ARG 262.A NH2 THR 297.A OG1 no hydrogen 3.186 N/A GLY 266.A N ALA 264.A O no hydrogen 2.867 N/A LEU 267.A N ASP 260.A O no hydrogen 3.487 N/A ALA 269.A N ILE 258.A O no hydrogen 3.284 N/A HIS 270.A N ALA 312.A O no hydrogen 2.979 N/A LYS 272.A N HIS 270.A ND1 no hydrogen 3.186 N/A GLY 274.A N HIS 270.A O no hydrogen 2.858 N/A GLU 275.A N PRO 271.A O no hydrogen 2.479 N/A PHE 276.A N LYS 272.A O no hydrogen 3.038 N/A LEU 277.A N VAL 273.A O no hydrogen 2.996 N/A VAL 278.A N GLY 274.A O no hydrogen 3.158 N/A SER 279.A N GLU 275.A O no hydrogen 3.061 N/A SER 279.A OG PHE 276.A O no hydrogen 3.169 N/A ILE 280.A N PHE 276.A O no hydrogen 3.012 N/A ALA 281.A N LEU 277.A O no hydrogen 3.069 N/A GLU 282.A N VAL 278.A O no hydrogen 2.826 N/A LYS 283.A N SER 279.A O no hydrogen 2.955 N/A LYS 283.A NZ GLU 347.A OE1 no hydrogen 2.898 N/A LYS 284.A N ILE 280.A O no hydrogen 2.872 N/A ARG 285.A N GLU 282.A O no hydrogen 2.747 N/A ARG 285.A NE LYS 283.A O no hydrogen 3.272 N/A ILE 286.A N ALA 281.A O no hydrogen 2.718 N/A TYR 288.A OH GLU 282.A OE1 no hydrogen 3.140 N/A GLN 289.A N PRO 254.A O no hydrogen 2.678 N/A GLN 289.A NE2 ARG 249.A O no hydrogen 2.894 N/A GLN 289.A NE2 GLY 253.A O no hydrogen 3.092 N/A ASP 291.A N ILE 256.A O no hydrogen 2.757 N/A ILE 293.A N VAL 259.A O no hydrogen 2.791 N/A THR 297.A OG1 ASP 260.A OD2 no hydrogen 2.938 N/A THR 298.A OG1 THR 314.A OG1 no hydrogen 3.382 N/A ALA 300.A N THR 298.A OG1 no hydrogen 3.301 N/A SER 301.A N THR 298.A O no hydrogen 3.154 N/A SER 301.A OG GLY 266.A O no hydrogen 2.521 N/A THR 302.A N ASP 299.A O no hydrogen 3.264 N/A THR 302.A OG1 ASP 299.A O no hydrogen 3.410 N/A ILE 303.A N ASP 299.A O no hydrogen 3.367 N/A ALA 304.A N ALA 300.A O no hydrogen 3.308 N/A ASN 306.A N ILE 303.A O no hydrogen 2.897 N/A LYS 307.A NZ TYR 220.A O no hydrogen 3.190 N/A LYS 307.A NZ SER 223.A OG no hydrogen 2.875 N/A GLY 309.A N ASN 306.A O no hydrogen 2.803 N/A ALA 311.A N ASP 225.A O no hydrogen 3.223 N/A THR 314.A OG1 THR 298.A OG1 no hydrogen 3.382 N/A ILE 315.A N ALA 229.A O no hydrogen 2.958 N/A SER 316.A N ALA 255.A O no hydrogen 2.933 N/A SER 316.A OG ASP 231.A O no hydrogen 3.418 N/A ILE 317.A N ASP 231.A O no hydrogen 2.865 N/A SER 319.A N THR 233.A O no hydrogen 2.926 N/A SER 319.A OG VAL 328.A O no hydrogen 3.383 N/A ARG 320.A N VAL 328.A O no hydrogen 2.967 N/A ARG 320.A NE ASP 237.A OD1 no hydrogen 2.676 N/A ARG 320.A NH2 ASP 237.A OD2 no hydrogen 2.740 N/A HIS 323.A N GLU 327.A OE2 no hydrogen 3.088 N/A SER 324.A OG TYR 321.A O no hydrogen 2.445 N/A VAL 326.A N SER 324.A OG no hydrogen 3.291 N/A VAL 328.A N ARG 320.A O no hydrogen 2.998 N/A VAL 329.A N ILE 172.A O no hydrogen 3.113 N/A LEU 331.A N ASN 170.A O no hydrogen 2.832 N/A ARG 332.A N ASP 330.A OD1 no hydrogen 2.947 N/A ARG 332.A NE ASP 330.A OD1 no hydrogen 3.062 N/A ARG 332.A NH2 ASP 330.A OD2 no hydrogen 2.777 N/A ASP 333.A N ASP 330.A O no hydrogen 2.804 N/A LEU 334.A N LEU 331.A O no hydrogen 3.111 N/A TYR 335.A N LEU 331.A O no hydrogen 2.902 N/A ASN 336.A N ARG 332.A O no hydrogen 2.926 N/A ASN 336.A ND2 ARG 332.A O no hydrogen 2.780 N/A ALA 337.A N LEU 334.A O no hydrogen 3.071 N/A SER 338.A N LEU 334.A O no hydrogen 3.077 N/A SER 338.A OG TYR 6.A OH no hydrogen 2.777 N/A SER 338.A OG VAL 185.A O no hydrogen 3.251 N/A SER 338.A OG LEU 334.A O no hydrogen 3.311 N/A LEU 339.A N TYR 335.A O no hydrogen 3.117 N/A LEU 340.A N ASN 336.A O no hydrogen 3.045 N/A ALA 341.A N ALA 337.A O no hydrogen 3.034 N/A LYS 342.A N SER 338.A O no hydrogen 2.787 N/A ALA 343.A N LEU 339.A O no hydrogen 2.893 N/A PHE 344.A N LEU 340.A O no hydrogen 3.255 N/A ILE 345.A N ALA 341.A O no hydrogen 3.131 N/A GLU 346.A N LYS 342.A O no hydrogen 2.919 N/A GLU 347.A N ALA 343.A O no hydrogen 2.582 N/A ALA 348.A N ILE 345.A O no hydrogen 3.254 N/A TRP 352.A N THR 349.A OG1 no hydrogen 3.040 N/A ILE 353.A N THR 349.A O no hydrogen 3.079 N/A GLN 354.A N GLU 351.A O no hydrogen 2.961 N/A SER 355.A OG TRP 352.A O no hydrogen 3.510 N/A SER 355.A OG GLN 354.A O no hydrogen 2.665 N/A GLY 358.A N SER 355.A O no hydrogen 2.490 N/A