Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3x2w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 7.A N SER 3.A O no hydrogen 2.968 N/A LEU 8.A N VAL 4.A O no hydrogen 2.819 N/A ALA 9.A N LYS 5.A O no hydrogen 3.120 N/A LYS 10.A N GLU 6.A O no hydrogen 3.153 N/A ALA 11.A N PHE 7.A O no hydrogen 2.871 N/A LYS 12.A N LEU 8.A O no hydrogen 2.854 N/A LYS 12.A NZ SER 147.A O no hydrogen 3.008 N/A LYS 12.A NZ ASP 149.A OD2 no hydrogen 2.820 N/A GLU 13.A N ALA 9.A O no hydrogen 3.290 N/A ASP 14.A N LYS 10.A O no hydrogen 3.268 N/A PHE 15.A N ALA 11.A O no hydrogen 3.034 N/A LEU 16.A N LYS 12.A O no hydrogen 2.829 N/A LYS 17.A N GLU 13.A O no hydrogen 3.190 N/A LYS 18.A N ASP 14.A O no hydrogen 3.316 N/A TRP 19.A N PHE 15.A O no hydrogen 2.732 N/A GLU 20.A N LEU 16.A O no hydrogen 2.875 N/A THR 21.A N LYS 17.A O no hydrogen 3.076 N/A SER 23.A N GLN 85.A OE1 no hydrogen 3.025 N/A SER 23.A OG GLN 85.A OE1 no hydrogen 3.479 N/A GLN 24.A NE2 THR 334.A O no hydrogen 3.302 N/A GLN 24.A NE2 PHE 336.A O no hydrogen 3.246 N/A THR 26.A N SER 98.A O no hydrogen 2.946 N/A THR 26.A OG1 SER 98.A O no hydrogen 3.420 N/A GLN 28.A N GLN 31.A OE1 no hydrogen 3.191 N/A GLN 31.A N GLN 28.A O no hydrogen 3.077 N/A PHE 32.A N LEU 29.A O no hydrogen 3.181 N/A ASP 33.A N LYS 50.A O no hydrogen 2.837 N/A ILE 35.A N LEU 48.A O no hydrogen 2.821 N/A LYS 36.A NZ ASP 316.A OD1 no hydrogen 2.544 N/A THR 37.A N GLU 319.A OE2 no hydrogen 2.900 N/A THR 37.A OG1 GLU 319.A OE1 no hydrogen 2.582 N/A LEU 38.A N VAL 46.A O no hydrogen 2.638 N/A GLY 39.A N VAL 46.A O no hydrogen 3.314 N/A GLY 41.A N GLY 44.A O no hydrogen 2.851 N/A GLY 44.A N GLY 41.A O no hydrogen 3.408 N/A ARG 45.A N ILE 62.A O no hydrogen 3.058 N/A ARG 45.A NH1 THR 37.A OG1 no hydrogen 2.794 N/A ARG 45.A NH1 GLU 318.A O no hydrogen 2.979 N/A VAL 46.A N GLY 39.A O no hydrogen 2.786 N/A MET 47.A N MET 60.A O no hydrogen 2.864 N/A LEU 48.A N LYS 36.A O no hydrogen 2.720 N/A VAL 49.A N TYR 58.A O no hydrogen 2.819 N/A LYS 50.A N ASP 33.A O no hydrogen 2.890 N/A LYS 50.A NZ GLY 55.A O no hydrogen 3.244 N/A HIS 51.A N ASN 56.A O no hydrogen 2.865 N/A HIS 51.A ND1 SER 54.A OG no hydrogen 2.947 N/A LYS 52.A N GLN 31.A O no hydrogen 2.858 N/A LYS 52.A NZ ASP 30.A O no hydrogen 2.669 N/A GLU 53.A N GLU 53.A OE2.A no hydrogen 2.762 N/A SER 54.A OG HIS 51.A ND1 no hydrogen 2.947 N/A GLY 55.A N HIS 51.A O no hydrogen 2.746 N/A ASN 56.A N SER 54.A OG no hydrogen 3.074 N/A ASN 56.A ND2 TYR 58.A OH no hydrogen 3.396 N/A TYR 58.A N VAL 49.A O no hydrogen 2.847 N/A ALA 59.A N MET 109.A O no hydrogen 2.877 N/A MET 60.A N MET 47.A O no hydrogen 2.755 N/A LYS 61.A N MET 107.A O no hydrogen 2.736 N/A LYS 61.A NZ GLU 80.A OE2 no hydrogen 2.632 N/A ILE 62.A N ARG 45.A O no hydrogen 2.754 N/A LEU 63.A N LEU 105.A O no hydrogen 2.905 N/A ASP 64.A N PHE 43.A O no hydrogen 2.862 N/A LYS 65.A N SER 103.A O no hydrogen 2.934 N/A LYS 65.A NZ ASP 101.A O no hydrogen 2.783 N/A LYS 65.A NZ ASN 102.A O no hydrogen 3.178 N/A LYS 65.A NZ LYS 328.A O no hydrogen 2.708 N/A LYS 67.A N ASP 64.A OD1 no hydrogen 3.155 N/A LYS 67.A NZ.A SER 42.A O no hydrogen 2.376 N/A VAL 68.A N ASP 64.A O no hydrogen 3.062 N/A VAL 69.A N LYS 65.A O no hydrogen 3.099 N/A LYS 70.A N GLN 66.A O no hydrogen 2.959 N/A LEU 71.A N LYS 67.A O no hydrogen 3.048 N/A LYS 72.A N VAL 69.A O no hydrogen 3.021 N/A GLN 73.A N VAL 68.A O no hydrogen 2.922 N/A GLN 73.A NE2 LEU 71.A O no hydrogen 3.294 N/A HIS 76.A ND1 GLN 73.A OE1 no hydrogen 2.721 N/A THR 77.A N GLN 73.A O no hydrogen 2.973 N/A THR 77.A OG1 GLN 73.A O no hydrogen 2.977 N/A LEU 78.A N ILE 74.A O no hydrogen 2.857 N/A ASN 79.A N GLU 75.A O no hydrogen 2.804 N/A GLU 80.A N HIS 76.A O no hydrogen 2.909 N/A LYS 81.A N THR 77.A O no hydrogen 3.279 N/A LYS 81.A NZ SER 23.A O no hydrogen 2.864 N/A LYS 81.A NZ PHE 336.A OXT no hydrogen 2.863 N/A ARG 82.A N LEU 78.A O no hydrogen 2.923 N/A ARG 82.A NE TRP 19.A O no hydrogen 2.987 N/A ARG 82.A NH2 TRP 19.A O no hydrogen 2.955 N/A ILE 83.A N ASN 79.A O no hydrogen 2.892 N/A LEU 84.A N GLU 80.A O no hydrogen 2.926 N/A GLN 85.A N LYS 81.A O no hydrogen 3.043 N/A GLN 85.A NE2 LYS 18.A O no hydrogen 2.837 N/A GLN 85.A NE2 ARG 82.A O no hydrogen 2.976 N/A ALA 86.A N ILE 83.A O no hydrogen 2.974 N/A VAL 87.A N ILE 83.A O no hydrogen 3.147 N/A ASN 88.A N.A TYR 144.A OH no hydrogen 2.993 N/A ASN 88.A N.B TYR 144.A OH no hydrogen 2.943 N/A ASN 88.A ND2.A VAL 87.A O no hydrogen 3.170 N/A LEU 92.A N PHE 89.A O no hydrogen 3.114 N/A VAL 93.A N VAL 170.A O no hydrogen 3.043 N/A LYS 94.A NZ ASN 88.A OD1.A no hydrogen 3.341 N/A GLU 96.A N VAL 108.A O no hydrogen 2.748 N/A PHE 97.A N VAL 108.A O no hydrogen 3.152 N/A SER 98.A N THR 26.A OG1 no hydrogen 2.977 N/A PHE 99.A N TYR 106.A O no hydrogen 3.153 N/A LYS 100.A NZ PHE 333.A O no hydrogen 2.808 N/A LYS 100.A NZ PHE 336.A O no hydrogen 2.976 N/A ASP 101.A N ASN 104.A O no hydrogen 2.936 N/A SER 103.A N ASP 101.A OD1 no hydrogen 2.934 N/A ASN 104.A N ASP 101.A OD1 no hydrogen 2.832 N/A ASN 104.A ND2 TYR 106.A OH no hydrogen 3.017 N/A ASN 104.A ND2 ARG 323.A O no hydrogen 3.429 N/A LEU 105.A N LEU 63.A O no hydrogen 2.826 N/A TYR 106.A N PHE 99.A O no hydrogen 2.792 N/A TYR 106.A OH ASP 101.A OD2 no hydrogen 2.654 N/A MET 107.A N LYS 61.A O no hydrogen 2.912 N/A VAL 108.A N PHE 97.A O no hydrogen 2.967 N/A MET 109.A N ALA 59.A O no hydrogen 2.792 N/A GLU 110.A N LYS 94.A O no hydrogen 2.901 N/A TYR 111.A OH ASP 310.A O no hydrogen 2.645 N/A MET 117.A N LEU 160.A O no hydrogen 2.692 N/A PHE 118.A N PRO 157.A O no hydrogen 3.177 N/A SER 119.A N GLU 116.A O no hydrogen 3.078 N/A HIS 120.A N GLU 116.A O no hydrogen 3.510 N/A HIS 120.A NE2 GLY 114.A O no hydrogen 2.622 N/A LEU 121.A N MET 117.A O no hydrogen 2.825 N/A ARG 122.A N PHE 118.A O no hydrogen 2.930 N/A ARG 122.A NH1 GLU 217.A OE2 no hydrogen 2.645 N/A ARG 122.A NH2 GLU 217.A OE2 no hydrogen 3.064 N/A ARG 123.A N SER 119.A O no hydrogen 2.975 N/A ARG 123.A NH2 HIS 120.A ND1 no hydrogen 2.863 N/A ILE 124.A N HIS 120.A O no hydrogen 2.910 N/A GLY 125.A N LEU 121.A O no hydrogen 2.777 N/A PHE 127.A N MET 218.A O no hydrogen 2.884 N/A HIS 130.A NE2 TYR 134.A OH no hydrogen 3.006 N/A ARG 132.A N GLU 128.A O no hydrogen 2.741 N/A ARG 132.A NH2 TRP 283.A O no hydrogen 2.974 N/A PHE 133.A N PRO 129.A O no hydrogen 3.034 N/A TYR 134.A N HIS 130.A O no hydrogen 3.374 N/A TYR 134.A OH HIS 130.A NE2 no hydrogen 3.006 N/A ALA 135.A N ALA 131.A O no hydrogen 2.866 N/A ALA 136.A N ARG 132.A O no hydrogen 2.885 N/A GLN 137.A NE2 PHE 133.A O no hydrogen 3.015 N/A ILE 138.A N TYR 134.A O no hydrogen 3.174 N/A VAL 139.A N ALA 135.A O no hydrogen 2.836 N/A LEU 140.A N ALA 136.A O no hydrogen 3.086 N/A THR 141.A N GLN 137.A O no hydrogen 3.024 N/A THR 141.A OG1 GLN 137.A O no hydrogen 2.767 N/A PHE 142.A N ILE 138.A O no hydrogen 2.798 N/A GLU 143.A N VAL 139.A O no hydrogen 2.932 N/A TYR 144.A N LEU 140.A O no hydrogen 3.001 N/A LEU 145.A N THR 141.A O no hydrogen 2.823 N/A HIS 146.A N PHE 142.A O no hydrogen 2.793 N/A HIS 146.A NE2 ASP 207.A OD2 no hydrogen 2.811 N/A SER 147.A N GLU 143.A O no hydrogen 3.161 N/A SER 147.A OG TYR 144.A O no hydrogen 2.746 N/A LEU 148.A N LEU 145.A O no hydrogen 2.981 N/A ASP 149.A N HIS 146.A O no hydrogen 2.903 N/A LEU 150.A N LEU 145.A O no hydrogen 3.036 N/A ILE 151.A N.A LYS 177.A O no hydrogen 2.906 N/A ILE 151.A N.B LYS 177.A O no hydrogen 2.915 N/A TYR 152.A N ASP 207.A OD2 no hydrogen 2.864 N/A TYR 152.A OH THR 171.A O no hydrogen 2.610 N/A TYR 152.A OH ASP 172.A O no hydrogen 3.213 N/A ARG 153.A N ASP 207.A OD1 no hydrogen 2.908 N/A ARG 153.A NE PHE 175.A O no hydrogen 2.729 N/A ARG 153.A NH1 TYR 202.A OH no hydrogen 2.888 N/A ARG 153.A NH2 PHE 175.A O no hydrogen 2.963 N/A LYS 156.A NZ THR 188.A OG1 no hydrogen 2.777 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.655 N/A ASN 159.A N LYS 156.A O no hydrogen 3.024 N/A ASN 159.A ND2 ASP 154.A O no hydrogen 2.870 N/A ASN 159.A ND2 ASP 154.A OD2 no hydrogen 3.029 N/A LEU 160.A N PRO 157.A O no hydrogen 3.278 N/A LEU 161.A N GLN 169.A O no hydrogen 2.945 N/A ILE 162.A N GLY 115.A O no hydrogen 2.902 N/A ASP 163.A N TYR 167.A O no hydrogen 2.770 N/A GLN 165.A N ASP 163.A OD1 no hydrogen 2.829 N/A GLN 165.A NE2.A ARG 295.A O no hydrogen 3.034 N/A GLY 166.A N ASP 163.A O no hydrogen 2.923 N/A TYR 167.A N ASP 163.A OD1 no hydrogen 2.849 N/A TYR 167.A OH VAL 297.A O no hydrogen 2.556 N/A ILE 168.A N GLN 137.A OE1 no hydrogen 2.737 N/A GLN 169.A N LEU 161.A O no hydrogen 2.857 N/A GLN 169.A NE2 PRO 90.A O no hydrogen 2.914 N/A GLN 169.A NE2 ILE 168.A O no hydrogen 3.195 N/A VAL 170.A N PHE 91.A O no hydrogen 2.707 N/A THR 171.A N ASN 159.A O no hydrogen 2.992 N/A GLY 174.A N ASP 172.A OD1 no hydrogen 3.193 N/A ALA 176.A N PHE 173.A O no hydrogen 3.017 N/A LYS 177.A N ILE 151.A O.A no hydrogen 3.073 N/A LYS 177.A N ILE 151.A O.B no hydrogen 3.068 N/A LYS 177.A NZ.B THR 183.A OG1 no hydrogen 2.808 N/A ARG 178.A NE LEU 148.A O no hydrogen 2.890 N/A ARG 178.A NH2 ASP 149.A OD2 no hydrogen 3.036 N/A VAL 179.A N ASP 149.A O no hydrogen 2.903 N/A THR 183.A N TYR 202.A O no hydrogen 2.933 N/A THR 188.A OG1 ASP 154.A OD1 no hydrogen 2.655 N/A GLU 190.A N GLU 190.A OE1 no hydrogen 2.703 N/A TYR 191.A N THR 188.A O no hydrogen 2.838 N/A TYR 191.A OH GLU 217.A OE1 no hydrogen 2.448 N/A LEU 192.A N PRO 189.A O no hydrogen 3.237 N/A GLU 195.A N GLU 195.A OE2 no hydrogen 2.811 N/A ILE 196.A N ALA 193.A O no hydrogen 3.032 N/A ILE 197.A N ALA 193.A O no hydrogen 3.386 N/A LEU 198.A N PRO 194.A O no hydrogen 2.900 N/A SER 199.A N ILE 196.A O no hydrogen 3.140 N/A LYS 200.A N GLU 195.A O no hydrogen 3.267 N/A TYR 202.A N THR 183.A O no hydrogen 3.024 N/A LYS 204.A NZ VAL 179.A O no hydrogen 2.913 N/A ALA 205.A N ASN 203.A OD1 no hydrogen 2.900 N/A VAL 206.A N ASN 203.A O no hydrogen 3.120 N/A ASP 207.A N LYS 204.A O no hydrogen 2.986 N/A TRP 208.A N ALA 205.A O no hydrogen 3.112 N/A TRP 209.A N ALA 205.A O no hydrogen 3.116 N/A ALA 210.A N VAL 206.A O no hydrogen 2.986 N/A LEU 211.A N ASP 207.A O no hydrogen 2.894 N/A GLY 212.A N TRP 208.A O no hydrogen 3.131 N/A VAL 213.A N TRP 209.A O no hydrogen 3.046 N/A LEU 214.A N ALA 210.A O no hydrogen 2.831 N/A ILE 215.A N LEU 211.A O no hydrogen 2.822 N/A TYR 216.A N GLY 212.A O no hydrogen 3.004 N/A TYR 216.A OH ARG 243.A O no hydrogen 2.555 N/A GLU 217.A N VAL 213.A O no hydrogen 2.835 N/A MET 218.A N LEU 214.A O no hydrogen 2.816 N/A ALA 219.A N ILE 215.A O no hydrogen 2.946 N/A ALA 220.A N TYR 216.A O no hydrogen 2.758 N/A GLY 221.A N GLU 217.A O no hydrogen 2.770 N/A GLN 229.A N GLN 232.A OE1 no hydrogen 3.215 N/A GLN 232.A N GLN 229.A O no hydrogen 2.966 N/A ILE 233.A N GLN 229.A O no hydrogen 3.163 N/A TYR 234.A N PRO 230.A O no hydrogen 2.763 N/A GLU 235.A N ILE 231.A O no hydrogen 3.142 N/A LYS 236.A N GLN 232.A O no hydrogen 3.386 N/A LYS 236.A NZ PHE 226.A O no hydrogen 3.436 N/A ILE 237.A N ILE 233.A O no hydrogen 3.020 N/A VAL 238.A N TYR 234.A O no hydrogen 3.107 N/A SER 239.A N GLU 235.A O no hydrogen 3.264 N/A SER 239.A OG LYS 236.A O no hydrogen 2.875 N/A GLY 240.A N LYS 236.A O no hydrogen 3.171 N/A LYS 241.A N SER 239.A OG no hydrogen 3.005 N/A PHE 248.A N PRO 245.A O no hydrogen 3.211 N/A SER 249.A N GLU 128.A OE2 no hydrogen 2.828 N/A SER 249.A OG GLU 128.A OE1 no hydrogen 2.737 N/A LEU 252.A N SER 249.A OG no hydrogen 3.038 N/A LYS 253.A N SER 249.A O no hydrogen 3.042 N/A ASP 254.A N SER 250.A O no hydrogen 3.037 N/A LEU 255.A N ASP 251.A O no hydrogen 2.991 N/A LEU 256.A N LEU 252.A O no hydrogen 2.930 N/A ARG 257.A N LYS 253.A O no hydrogen 2.916 N/A ASN 258.A N ASP 254.A O no hydrogen 3.283 N/A ASN 258.A N LEU 255.A O no hydrogen 3.043 N/A ASN 258.A ND2 ASP 254.A O no hydrogen 2.835 N/A LEU 259.A N LEU 255.A O no hydrogen 2.977 N/A LEU 259.A N LEU 256.A O no hydrogen 3.175 N/A LEU 260.A N LEU 256.A O no hydrogen 2.777 N/A ASP 263.A N GLN 261.A OE1 no hydrogen 3.123 N/A THR 265.A N ASP 263.A OD1 no hydrogen 3.305 N/A THR 265.A OG1 ASP 263.A OD1 no hydrogen 3.224 N/A LYS 266.A N ASP 263.A O no hydrogen 2.866 N/A LYS 266.A NZ ASP 263.A OD2 no hydrogen 2.850 N/A ARG 267.A N LEU 264.A O no hydrogen 3.449 N/A ARG 267.A NE GLN 261.A O no hydrogen 2.873 N/A ARG 267.A NH1 GLU 195.A OE1 no hydrogen 2.739 N/A ARG 267.A NH1 ALA 205.A O no hydrogen 3.086 N/A ARG 267.A NH2 GLU 195.A OE1 no hydrogen 3.497 N/A ARG 267.A NH2 GLU 195.A OE2 no hydrogen 2.915 N/A ARG 267.A NH2 GLN 261.A O no hydrogen 2.953 N/A PHE 268.A N ASN 258.A O no hydrogen 2.975 N/A ASN 270.A N ARG 267.A O no hydrogen 2.950 N/A ASN 270.A ND2 LEU 264.A O no hydrogen 3.068 N/A ASN 273.A ND2 ASP 277.A OD1 no hydrogen 3.564 N/A GLY 274.A N LEU 271.A O no hydrogen 2.892 N/A ASN 276.A N ASN 273.A O no hydrogen 3.139 N/A ASP 277.A N GLY 274.A O no hydrogen 3.283 N/A ILE 278.A N VAL 275.A O no hydrogen 2.916 N/A LYS 279.A N VAL 275.A O no hydrogen 3.005 N/A LYS 279.A NZ GLU 143.A OE1 no hydrogen 2.787 N/A LYS 279.A NZ GLU 143.A OE2 no hydrogen 3.351 N/A ASN 280.A N ASN 276.A O no hydrogen 2.886 N/A HIS 281.A N ILE 278.A O no hydrogen 3.092 N/A HIS 281.A NE2 ASP 254.A OD2 no hydrogen 2.650 N/A LYS 282.A NZ ASP 251.A OD2 no hydrogen 2.819 N/A TRP 283.A N HIS 281.A ND1 no hydrogen 2.853 N/A TRP 283.A NE1 GLU 128.A OE1 no hydrogen 2.904 N/A PHE 284.A N HIS 281.A O no hydrogen 2.862 N/A ALA 285.A N LYS 282.A O no hydrogen 3.027 N/A THR 287.A N PHE 284.A O no hydrogen 2.893 N/A ALA 291.A N ASP 288.A OD1 no hydrogen 3.199 N/A ILE 292.A N ASP 288.A O no hydrogen 2.982 N/A TYR 293.A N TRP 289.A O no hydrogen 3.127 N/A GLN 294.A N ILE 290.A O no hydrogen 2.891 N/A ARG 295.A N ILE 292.A O no hydrogen 2.787 N/A ARG 295.A NE GLN 165.A OE1.A no hydrogen 2.935 N/A ARG 295.A NH1 PRO 90.A O no hydrogen 3.245 N/A ARG 295.A NH1 ASP 163.A OD2 no hydrogen 3.140 N/A ARG 295.A NH2 ASP 163.A OD2 no hydrogen 2.725 N/A ARG 295.A NH2 GLN 165.A OE1.A no hydrogen 2.738 N/A LYS 296.A N ALA 291.A O no hydrogen 2.935 N/A LYS 296.A NZ GLN 294.A OE1 no hydrogen 3.558 N/A ASP 310.A N GLY 307.A O no hydrogen 3.227 N/A SER 312.A N ASP 310.A OD1 no hydrogen 3.096 N/A SER 312.A OG.A ASP 310.A OD1 no hydrogen 3.130 N/A SER 312.A OG.A ASP 310.A OD2 no hydrogen 2.919 N/A SER 312.A OG.B ASP 310.A OD1 no hydrogen 2.495 N/A ASN 313.A ND2 ALA 113.A O no hydrogen 3.367 N/A ASN 313.A ND2 LYS 304.A O no hydrogen 3.332 N/A PHE 314.A N THR 311.A O no hydrogen 3.021 N/A LYS 328.A N ASN 102.A O no hydrogen 2.801 N/A CYS 329.A SG GLU 332.A OE2 no hydrogen 3.805 N/A GLU 332.A N GLU 332.A OE1 no hydrogen 2.633 N/A THR 334.A N LYS 331.A O no hydrogen 3.254 N/A THR 334.A OG1 GLY 330.A O no hydrogen 3.304 N/A THR 334.A OG1 LYS 331.A O no hydrogen 2.832 N/A PHE 336.A N PHE 333.A O no hydrogen 2.957 N/A