Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wb5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 1.A N ASP 171.A OD2 no hydrogen 3.501 N/A MET 4.A N PHE 1.A O no hydrogen 2.757 N/A VAL 5.A N PHE 1.A O no hydrogen 3.238 N/A ASP 6.A N SER 164.A OG no hydrogen 2.667 N/A ASN 7.A ND2 HIS 91.A O no hydrogen 3.074 N/A ASN 7.A ND2 MET 165.A O no hydrogen 3.178 N/A LEU 8.A N GLY 163.A O no hydrogen 2.941 N/A ARG 9.A N TYR 17.A O no hydrogen 3.049 N/A ARG 9.A NH1 ASP 6.A OD1 no hydrogen 2.787 N/A ARG 9.A NH1 LEU 8.A O no hydrogen 2.807 N/A ARG 9.A NH2 ASP 6.A OD2 no hydrogen 2.823 N/A LYS 11.A NZ SER 160.A OG no hydrogen 2.934 N/A SER 12.A N ALA 159.A O no hydrogen 3.397 N/A GLN 14.A N LYS 11.A O no hydrogen 2.853 N/A TYR 16.A OH GLU 316.A OE2 no hydrogen 2.373 N/A TYR 17.A N ARG 9.A O no hydrogen 2.793 N/A VAL 18.A N ILE 31.A O no hydrogen 2.861 N/A MET 20.A N LEU 29.A O no hydrogen 2.850 N/A THR 21.A N SER 88.A O no hydrogen 2.825 N/A VAL 22.A N GLN 27.A O no hydrogen 2.884 N/A GLY 23.A N LEU 86.A O no hydrogen 2.847 N/A SER 24.A N SER 59.A OG no hydrogen 3.112 N/A SER 24.A OG THR 61.A OG1 no hydrogen 2.826 N/A GLN 27.A N VAL 22.A O no hydrogen 2.776 N/A GLN 27.A NE2 GLN 55.A O no hydrogen 3.089 N/A LEU 29.A N MET 20.A O no hydrogen 2.805 N/A ASN 30.A N GLU 118.A OE2 no hydrogen 2.732 N/A ASN 30.A ND2 ASN 116.A O no hydrogen 2.999 N/A ILE 31.A N VAL 18.A O no hydrogen 2.916 N/A LEU 32.A N GLY 119.A O no hydrogen 2.666 N/A VAL 33.A N TYR 16.A O no hydrogen 2.821 N/A ASP 34.A N LEU 121.A O no hydrogen 3.005 N/A THR 35.A N SER 220.A OG no hydrogen 2.880 N/A THR 35.A OG1 VAL 218.A O no hydrogen 2.867 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.950 N/A SER 37.A OG ASP 34.A OD2 no hydrogen 2.508 N/A SER 38.A OG TYR 125.A O no hydrogen 2.652 N/A ASN 39.A ND2 ARG 130.A O no hydrogen 2.771 N/A ALA 41.A N ILE 120.A O no hydrogen 2.999 N/A VAL 42.A N ALA 102.A O no hydrogen 2.941 N/A GLY 43.A N GLU 118.A O no hydrogen 2.982 N/A ALA 44.A N ILE 104.A O no hydrogen 2.905 N/A HIS 47.A N ALA 45.A O no hydrogen 2.623 N/A PHE 49.A N HIS 47.A ND1 no hydrogen 3.041 N/A LEU 50.A N HIS 47.A O no hydrogen 3.095 N/A ARG 52.A NE GLU 118.A OE2 no hydrogen 2.728 N/A TYR 54.A N GLY 43.A O no hydrogen 2.857 N/A TYR 54.A OH ASP 85.A OD2 no hydrogen 2.529 N/A GLN 55.A N GLN 27.A OE1 no hydrogen 3.005 N/A ARG 56.A NH1 GLU 81.A OE1 no hydrogen 2.456 N/A ARG 56.A NH2 GLU 81.A OE1 no hydrogen 2.977 N/A GLN 57.A N GLN 57.A OE1 no hydrogen 2.802 N/A LEU 58.A N GLN 55.A O no hydrogen 3.058 N/A SER 59.A N ARG 56.A O no hydrogen 3.173 N/A SER 59.A OG ASP 85.A OD1 no hydrogen 3.186 N/A SER 59.A OG ASP 85.A OD2 no hydrogen 2.620 N/A SER 60.A N SER 24.A O no hydrogen 2.902 N/A SER 60.A OG SER 24.A O no hydrogen 3.100 N/A THR 61.A OG1 SER 24.A OG no hydrogen 2.826 N/A THR 61.A OG1 SER 59.A OG no hydrogen 3.361 N/A THR 61.A OG1 ASP 85.A OD1 no hydrogen 2.558 N/A ARG 63.A N THR 84.A O no hydrogen 2.889 N/A LEU 65.A N LEU 82.A O no hydrogen 3.085 N/A ARG 66.A N ASP 64.A OD1 no hydrogen 2.668 N/A VAL 69.A N GLY 80.A O no hydrogen 3.215 N/A VAL 71.A N TRP 78.A O no hydrogen 2.774 N/A TYR 73.A N GLY 76.A O no hydrogen 2.944 N/A LYS 77.A N ASP 108.A O no hydrogen 2.948 N/A TRP 78.A N VAL 71.A O no hydrogen 3.047 N/A GLU 79.A N GLU 106.A O no hydrogen 2.973 N/A GLY 80.A N VAL 69.A O no hydrogen 3.003 N/A GLU 81.A N ALA 103.A O no hydrogen 2.955 N/A LEU 82.A N LYS 67.A O no hydrogen 2.905 N/A GLY 83.A N ILE 101.A O no hydrogen 2.983 N/A THR 84.A N ARG 63.A O no hydrogen 2.879 N/A ASP 85.A N ALA 99.A O no hydrogen 3.247 N/A LEU 86.A N ASP 85.A OD1 no hydrogen 2.740 N/A VAL 87.A N VAL 97.A O no hydrogen 2.671 N/A SER 88.A N THR 21.A O no hydrogen 2.891 N/A SER 88.A OG VAL 95.A O no hydrogen 3.206 N/A THR 96.A OG1 SER 88.A OG no hydrogen 3.017 N/A VAL 97.A N VAL 87.A O no hydrogen 3.034 N/A ARG 98.A N GLN 145.A OE1 no hydrogen 3.028 N/A ARG 98.A NH1 THR 61.A O no hydrogen 3.168 N/A ARG 98.A NH1 THR 84.A OG1 no hydrogen 2.629 N/A ARG 98.A NH2 THR 61.A O no hydrogen 2.984 N/A ALA 99.A N ASP 85.A O no hydrogen 3.110 N/A ASN 100.A ND2 GLU 136.A O no hydrogen 2.942 N/A ILE 101.A N GLY 83.A O no hydrogen 2.730 N/A ALA 102.A N PHE 40.A O no hydrogen 2.917 N/A ALA 103.A N GLU 81.A O no hydrogen 2.930 N/A ILE 104.A N VAL 42.A O no hydrogen 2.583 N/A THR 105.A N GLU 79.A O no hydrogen 3.084 N/A THR 105.A OG1 GLU 79.A O no hydrogen 3.390 N/A SER 107.A N GLU 106.A OE2 no hydrogen 3.101 N/A ASP 108.A N LYS 77.A O no hydrogen 2.774 N/A SER 115.A N ILE 112.A O no hydrogen 2.762 N/A SER 115.A OG ILE 112.A O no hydrogen 2.959 N/A SER 115.A OG TRP 117.A O no hydrogen 3.358 N/A ASN 116.A ND2 TYR 17.A OH no hydrogen 3.030 N/A TRP 117.A NE1 GLN 14.A O no hydrogen 2.789 N/A GLU 118.A N ASN 30.A O no hydrogen 2.837 N/A ILE 120.A N ALA 41.A O no hydrogen 2.639 N/A LEU 121.A N LEU 32.A O no hydrogen 2.668 N/A GLY 122.A N ASN 39.A O no hydrogen 2.959 N/A LEU 123.A N ASP 34.A O no hydrogen 2.690 N/A ALA 124.A N SER 37.A O no hydrogen 2.691 N/A TYR 125.A N TRP 188.A O no hydrogen 2.912 N/A ILE 128.A N TYR 125.A O no hydrogen 3.222 N/A ALA 129.A N ALA 126.A O no hydrogen 2.740 N/A ARG 130.A N ASN 39.A OD1 no hydrogen 2.800 N/A SER 134.A N ASP 132.A OD1 no hydrogen 2.905 N/A SER 134.A OG ASP 132.A OD1 no hydrogen 2.935 N/A SER 134.A OG ASP 132.A OD2 no hydrogen 3.279 N/A LEU 135.A N ASP 132.A O no hydrogen 3.241 N/A SER 141.A N PRO 137.A O no hydrogen 3.275 N/A SER 141.A OG GLU 136.A OE1 no hydrogen 2.373 N/A SER 141.A OG PRO 137.A O no hydrogen 3.533 N/A LEU 142.A N PHE 138.A O no hydrogen 2.885 N/A VAL 143.A N PHE 139.A O no hydrogen 3.046 N/A LYS 144.A N ASP 140.A O no hydrogen 3.159 N/A GLN 145.A N SER 141.A O no hydrogen 3.005 N/A GLN 145.A NE2 ARG 98.A O no hydrogen 2.905 N/A THR 146.A OG1 LEU 142.A O no hydrogen 2.477 N/A VAL 148.A N THR 146.A OG1 no hydrogen 3.072 N/A LEU 151.A N PRO 149.A O no hydrogen 2.856 N/A PHE 152.A N PHE 322.A O no hydrogen 3.333 N/A SER 153.A N ILE 166.A O no hydrogen 2.943 N/A SER 153.A OG GLY 169.A O no hydrogen 3.044 N/A SER 153.A OG TYR 319.A OH no hydrogen 2.503 N/A LEU 154.A N VAL 320.A O no hydrogen 2.721 N/A GLN 155.A N SER 164.A O no hydrogen 3.083 N/A CYS 157.A N GLY 162.A O no hydrogen 2.903 N/A GLY 158.A N TYR 16.A OH no hydrogen 3.164 N/A VAL 161.A N GLY 10.A O no hydrogen 3.042 N/A GLY 163.A N LEU 8.A O no hydrogen 3.198 N/A SER 164.A N GLN 155.A O no hydrogen 2.902 N/A MET 165.A N ASN 7.A OD1 no hydrogen 2.674 N/A ILE 166.A N SER 153.A O no hydrogen 3.049 N/A GLY 168.A N LEU 151.A O no hydrogen 2.821 N/A ASP 171.A N TYR 319.A OH no hydrogen 3.053 N/A HIS 172.A ND1 TYR 175.A OH no hydrogen 2.584 N/A SER 173.A N ASP 171.A OD1 no hydrogen 3.102 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.317 N/A LEU 174.A N ASP 171.A O no hydrogen 3.285 N/A TYR 175.A OH HIS 172.A ND1 no hydrogen 2.584 N/A THR 176.A N VAL 333.A O no hydrogen 3.095 N/A SER 178.A OG LEU 179.A O no hydrogen 3.135 N/A TRP 180.A N PHE 331.A O no hydrogen 2.879 N/A THR 182.A N ILE 329.A O no hydrogen 2.721 N/A THR 182.A OG1 MET 276.A O no hydrogen 2.482 N/A ILE 184.A N LYS 327.A O no hydrogen 3.016 N/A ARG 185.A N GLU 191.A O no hydrogen 2.784 N/A ARG 185.A NH1 GLU 191.A OE2 no hydrogen 2.915 N/A ARG 185.A NH1 TYR 360.A O no hydrogen 3.101 N/A ARG 185.A NH2 TYR 360.A O no hydrogen 2.518 N/A TRP 188.A N ARG 186.A O no hydrogen 2.886 N/A TRP 188.A N TYR 189.A O no hydrogen 3.267 N/A TRP 188.A NE1 GLU 191.A OE1 no hydrogen 3.020 N/A TYR 190.A OH LEU 123.A O no hydrogen 2.634 N/A VAL 192.A N SER 216.A O no hydrogen 2.782 N/A ILE 194.A N ASN 212.A OD1 no hydrogen 2.674 N/A VAL 195.A N TYR 274.A O no hydrogen 2.841 N/A ARG 196.A NE GLU 198.A OE2 no hydrogen 2.767 N/A ARG 196.A NH2 GLU 198.A OE2 no hydrogen 3.040 N/A GLU 198.A N SER 272.A O no hydrogen 3.008 N/A ILE 199.A N GLN 202.A O no hydrogen 3.119 N/A ASN 200.A N VAL 270.A O no hydrogen 2.825 N/A GLN 202.A N ILE 199.A O no hydrogen 3.077 N/A LEU 204.A N VAL 197.A O no hydrogen 3.142 N/A LYS 205.A N ASP 203.A OD1 no hydrogen 2.807 N/A LYS 209.A N ASP 207.A OD1 no hydrogen 3.210 N/A LYS 209.A NZ ASP 357.A O no hydrogen 2.874 N/A LYS 209.A NZ GLY 359.A O no hydrogen 2.865 N/A GLU 210.A N ASP 207.A O no hydrogen 3.077 N/A ASN 212.A N LYS 209.A O no hydrogen 3.119 N/A ASN 212.A ND2 ILE 194.A O no hydrogen 2.666 N/A ASN 212.A ND2 CYS 208.A O no hydrogen 2.930 N/A ASN 212.A ND2 CYS 358.A O no hydrogen 3.245 N/A SER 216.A OG ASN 212.A OD1 no hydrogen 2.726 N/A ILE 217.A N THR 308.A O no hydrogen 2.926 N/A VAL 218.A N TYR 190.A O no hydrogen 3.046 N/A ASP 219.A N MET 310.A O no hydrogen 3.080 N/A SER 220.A N THR 35.A OG1 no hydrogen 2.709 N/A SER 220.A OG VAL 33.A O no hydrogen 2.629 N/A GLY 221.A N ASP 219.A OD1 no hydrogen 2.864 N/A THR 222.A N ASP 219.A O no hydrogen 3.160 N/A THR 222.A OG1 ASP 219.A OD2 no hydrogen 2.694 N/A LEU 225.A N ALA 300.A O no hydrogen 3.052 N/A ARG 226.A N VAL 309.A O no hydrogen 2.987 N/A LEU 227.A N SER 302.A O no hydrogen 2.908 N/A PHE 232.A N PRO 228.A O no hydrogen 2.679 N/A GLU 233.A N LYS 229.A O no hydrogen 2.657 N/A ALA 234.A N LYS 230.A O no hydrogen 3.132 N/A ALA 235.A N VAL 231.A O no hydrogen 2.730 N/A VAL 236.A N PHE 232.A O no hydrogen 2.969 N/A LYS 237.A N GLU 233.A O no hydrogen 3.435 N/A LYS 237.A NZ ALA 234.A O no hydrogen 3.467 N/A SER 238.A N ALA 234.A O no hydrogen 3.280 N/A ILE 239.A N ALA 235.A O no hydrogen 2.871 N/A LYS 240.A N VAL 236.A O no hydrogen 2.491 N/A ALA 241.A N LYS 237.A O no hydrogen 2.601 N/A ALA 242.A N SER 238.A O no hydrogen 2.845 N/A SER 243.A N LYS 240.A O no hydrogen 2.839 N/A SER 243.A OG ILE 239.A O no hydrogen 2.726 N/A SER 243.A OG LYS 240.A O no hydrogen 2.910 N/A PHE 252.A N PRO 249.A O no hydrogen 3.036 N/A TRP 253.A N ASP 250.A O no hydrogen 3.239 N/A LEU 254.A N GLY 251.A O no hydrogen 3.067 N/A GLY 255.A N PHE 252.A O no hydrogen 2.747 N/A GLU 256.A N GLY 251.A O no hydrogen 3.292 N/A VAL 259.A N TYR 297.A O no hydrogen 3.317 N/A PHE 268.A N TRP 265.A O no hydrogen 3.147 N/A ILE 271.A N ILE 288.A O no hydrogen 3.085 N/A SER 272.A N GLU 198.A O no hydrogen 2.882 N/A SER 272.A OG THR 287.A OG1 no hydrogen 2.743 N/A LEU 273.A N ILE 286.A O no hydrogen 2.915 N/A TYR 274.A N ARG 196.A O no hydrogen 2.774 N/A TYR 274.A OH GLU 198.A OE1 no hydrogen 3.295 N/A TYR 274.A OH GLU 198.A OE2 no hydrogen 3.097 N/A LEU 275.A N PHE 284.A O no hydrogen 2.720 N/A MET 276.A N ILE 193.A O no hydrogen 3.062 N/A GLY 277.A N GLN 282.A O no hydrogen 2.913 N/A GLU 278.A N GLN 282.A OE1 no hydrogen 2.742 N/A VAL 279.A N GLN 282.A OE1 no hydrogen 3.277 N/A GLN 282.A N VAL 279.A O no hydrogen 3.052 N/A SER 283.A N PHE 350.A O no hydrogen 2.887 N/A SER 283.A OG THR 352.A OG1 no hydrogen 2.902 N/A PHE 284.A N LEU 275.A O no hydrogen 3.199 N/A ARG 285.A N GLU 347.A O no hydrogen 2.800 N/A ARG 285.A NE GLU 347.A OE1 no hydrogen 3.046 N/A ARG 285.A NH1 TYR 274.A OH no hydrogen 2.916 N/A ARG 285.A NH2 GLU 347.A OE1 no hydrogen 2.666 N/A ILE 286.A N LEU 273.A O no hydrogen 2.941 N/A THR 287.A N ALA 345.A O no hydrogen 2.637 N/A THR 287.A OG1 SER 272.A OG no hydrogen 2.743 N/A ILE 288.A N ILE 271.A O no hydrogen 2.883 N/A LEU 289.A N GLN 292.A OE1 no hydrogen 2.699 N/A GLN 291.A N GLN 291.A OE1 no hydrogen 2.569 N/A GLN 292.A N LEU 289.A O no hydrogen 2.809 N/A GLN 292.A NE2 VAL 338.A O no hydrogen 3.218 N/A TYR 293.A N LEU 289.A O no hydrogen 3.399 N/A TYR 293.A OH PRO 269.A O no hydrogen 2.630 N/A LEU 294.A N PRO 290.A O no hydrogen 2.658 N/A ARG 295.A N LYS 298.A O no hydrogen 3.045 N/A LYS 298.A N ARG 295.A O no hydrogen 2.732 N/A ALA 300.A N TYR 293.A O no hydrogen 2.797 N/A SER 302.A N LEU 225.A O no hydrogen 3.265 N/A SER 304.A OG THR 306.A OG1 no hydrogen 3.140 N/A SER 304.A OG GLY 307.A O no hydrogen 2.693 N/A THR 306.A N SER 304.A OG no hydrogen 2.929 N/A THR 306.A OG1 SER 304.A OG no hydrogen 3.140 N/A THR 308.A N LYS 215.A O no hydrogen 2.686 N/A THR 308.A OG1 TYR 211.A O no hydrogen 2.710 N/A VAL 309.A N ARG 226.A O no hydrogen 2.752 N/A MET 310.A N ILE 217.A O no hydrogen 2.760 N/A GLY 311.A N ASN 224.A O no hydrogen 3.183 N/A ALA 312.A N THR 222.A O no hydrogen 2.799 N/A VAL 313.A N THR 223.A O no hydrogen 2.977 N/A ILE 314.A N GLY 311.A O no hydrogen 3.006 N/A MET 315.A N GLY 311.A O no hydrogen 2.941 N/A GLU 316.A N ALA 312.A O no hydrogen 2.922 N/A GLY 317.A N ILE 314.A O no hydrogen 3.171 N/A PHE 318.A N MET 315.A O no hydrogen 3.067 N/A TYR 319.A N ALA 332.A O no hydrogen 2.669 N/A TYR 319.A OH SER 153.A OG no hydrogen 2.503 N/A VAL 320.A N LEU 154.A O no hydrogen 2.943 N/A VAL 321.A N GLY 330.A O no hydrogen 2.839 N/A PHE 322.A N PHE 152.A O no hydrogen 2.719 N/A ASP 323.A N ARG 328.A O no hydrogen 2.886 N/A ARG 324.A N PHE 322.A O no hydrogen 2.995 N/A ARG 324.A NE ASN 150.A OD1 no hydrogen 2.921 N/A ARG 324.A NH1 ASP 140.A OD1 no hydrogen 2.964 N/A ARG 324.A NH2 TYR 190.A OH no hydrogen 3.032 N/A ALA 325.A N ASN 150.A O no hydrogen 3.017 N/A ARG 326.A N ASP 323.A O no hydrogen 3.306 N/A ARG 326.A N ASP 323.A OD1 no hydrogen 3.012 N/A ARG 326.A NE ASP 323.A OD2 no hydrogen 2.998 N/A LYS 327.A N ARG 324.A O no hydrogen 3.256 N/A ARG 328.A N ASP 323.A O no hydrogen 2.953 N/A ARG 328.A NE ASP 323.A OD2 no hydrogen 2.948 N/A ARG 328.A NH1 GLU 278.A OE2 no hydrogen 2.709 N/A ARG 328.A NH2 ASP 323.A OD2 no hydrogen 3.350 N/A ILE 329.A N THR 182.A O no hydrogen 2.692 N/A GLY 330.A N VAL 321.A O no hydrogen 2.845 N/A PHE 331.A N TRP 180.A O no hydrogen 2.726 N/A ALA 332.A N TYR 319.A O no hydrogen 3.022 N/A SER 334.A N GLY 317.A O no hydrogen 3.116 N/A ALA 335.A N LEU 174.A O no hydrogen 2.970 N/A CYS 336.A N SER 334.A OG no hydrogen 3.139 N/A CYS 336.A SG GLN 155.A OE1 no hydrogen 3.596 N/A CYS 336.A SG LEU 156.A O no hydrogen 3.987 N/A CYS 336.A SG SER 334.A OG no hydrogen 3.265 N/A HIS 337.A ND1 SER 334.A O no hydrogen 2.697 N/A HIS 339.A ND1 HIS 337.A O no hydrogen 2.922 N/A ASP 340.A N ARG 342.A O no hydrogen 3.391 N/A ARG 342.A NH1 PHE 268.A O no hydrogen 2.653 N/A ARG 342.A NH2 PHE 268.A O no hydrogen 2.600 N/A ALA 344.A N HIS 337.A NE2 no hydrogen 3.271 N/A ALA 345.A N THR 287.A O no hydrogen 3.021 N/A GLU 347.A N ARG 285.A O no hydrogen 2.875 N/A PHE 350.A N SER 283.A O no hydrogen 2.962 N/A THR 352.A N ASN 281.A O no hydrogen 2.946 N/A THR 352.A OG1 SER 283.A OG no hydrogen 2.902 N/A ASP 357.A N ASP 354.A O no hydrogen 2.887 N/A CYS 358.A N MET 355.A O no hydrogen 2.946 N/A GLY 359.A N GLU 356.A O no hydrogen 3.392 N/A