Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N SER 2.A O no hydrogen 3.001 N/A LEU 7.A N VAL 3.A O no hydrogen 2.976 N/A ILE 8.A N GLU 4.A O no hydrogen 2.820 N/A GLU 9.A N LYS 5.A O no hydrogen 3.273 N/A SER 15.A N ASP 32.A O no hydrogen 2.933 N/A MET 18.A N SER 30.A O no hydrogen 2.815 N/A LEU 20.A N ALA 28.A O no hydrogen 2.668 N/A SER 21.A N ALA 28.A O no hydrogen 3.361 N/A SER 26.A OG GLU 24.A OE2 no hydrogen 3.386 N/A ARG 27.A N VAL 42.A O no hydrogen 2.976 N/A ARG 27.A NE GLU 22.A OE2 no hydrogen 2.831 N/A ARG 27.A NH2 GLU 22.A OE2 no hydrogen 3.481 N/A ALA 28.A N SER 21.A O no hydrogen 3.433 N/A ALA 28.A N SER 21.A OG no hydrogen 3.264 N/A PHE 29.A N LEU 40.A O no hydrogen 2.705 N/A SER 30.A N MET 18.A O no hydrogen 2.802 N/A PHE 31.A N TYR 38.A O no hydrogen 3.256 N/A ASP 32.A N SER 15.A O no hydrogen 2.833 N/A VAL 33.A N ARG 36.A O no hydrogen 3.065 N/A ARG 36.A N VAL 33.A O no hydrogen 2.815 N/A TYR 38.A N PHE 31.A O no hydrogen 2.968 N/A VAL 39.A N SER 84.A O no hydrogen 2.700 N/A LEU 40.A N PHE 29.A O no hydrogen 2.814 N/A ARG 41.A N CYS 82.A O no hydrogen 2.895 N/A ARG 41.A NH1 ASP 52.A OD2 no hydrogen 3.191 N/A ARG 41.A NH2 ASP 52.A OD2 no hydrogen 2.825 N/A VAL 42.A N ARG 27.A O no hydrogen 2.936 N/A ASN 43.A N THR 80.A O no hydrogen 2.890 N/A SER 44.A N GLU 25.A O no hydrogen 3.170 N/A TYR 50.A N ALA 46.A O no hydrogen 3.294 N/A LYS 51.A N ASP 47.A O no hydrogen 3.361 N/A LYS 51.A NZ SER 210.A O no hydrogen 2.939 N/A LYS 51.A NZ ALA 212.A O no hydrogen 2.871 N/A ASP 52.A N GLY 48.A O no hydrogen 2.891 N/A ARG 53.A N PHE 49.A O no hydrogen 2.992 N/A TYR 54.A N TYR 50.A O no hydrogen 2.963 N/A VAL 55.A N LYS 51.A O no hydrogen 2.781 N/A TYR 56.A N ASP 52.A O no hydrogen 3.051 N/A ARG 57.A N ARG 53.A O no hydrogen 2.937 N/A HIS 58.A N TYR 54.A O no hydrogen 2.906 N/A HIS 58.A ND1 TYR 54.A O no hydrogen 2.902 N/A PHE 59.A N VAL 55.A O no hydrogen 2.741 N/A ALA 60.A N TYR 56.A O no hydrogen 3.340 N/A SER 61.A N LEU 64.A O no hydrogen 3.018 N/A LEU 64.A N SER 61.A OG no hydrogen 3.098 N/A LEU 70.A N ILE 83.A O no hydrogen 2.718 N/A ASP 71.A N ILE 83.A O no hydrogen 3.355 N/A GLY 73.A N TYR 81.A O no hydrogen 3.136 N/A PHE 75.A N LEU 79.A O no hydrogen 2.507 N/A SER 76.A N LEU 79.A O no hydrogen 3.071 N/A LEU 79.A N SER 76.A O no hydrogen 3.054 N/A THR 80.A N ASN 43.A O no hydrogen 2.827 N/A TYR 81.A N GLY 73.A O no hydrogen 2.874 N/A TYR 81.A OH ASP 71.A OD1 no hydrogen 2.597 N/A CYS 82.A N ARG 41.A O no hydrogen 2.826 N/A ILE 83.A N ASP 71.A O no hydrogen 2.761 N/A SER 84.A N VAL 39.A O no hydrogen 2.995 N/A ARG 85.A N GLU 68.A O no hydrogen 3.020 N/A ARG 85.A NE GLU 68.A OE1 no hydrogen 2.641 N/A ARG 85.A NH1 TYR 38.A OH no hydrogen 3.208 N/A ARG 85.A NH2 GLU 68.A OE1 no hydrogen 3.381 N/A ARG 86.A N GLY 37.A O no hydrogen 3.093 N/A ARG 86.A NH1 PHE 31.A O no hydrogen 3.500 N/A ARG 86.A NH1 ASP 32.A OD1 no hydrogen 3.201 N/A ARG 86.A NH1 TYR 38.A O no hydrogen 3.390 N/A ARG 86.A NH2 ASP 32.A OD1 no hydrogen 3.347 N/A VAL 90.A N THR 198.A O no hydrogen 3.010 N/A THR 91.A OG1 ASP 94.A OD2 no hydrogen 2.680 N/A LEU 92.A N SER 193.A O no hydrogen 3.136 N/A LEU 92.A N VAL 196.A O no hydrogen 2.910 N/A GLN 93.A N THR 91.A OG1 no hydrogen 3.256 N/A ASP 94.A N THR 91.A O no hydrogen 3.063 N/A LEU 95.A N THR 91.A O no hydrogen 3.272 N/A GLU 99.A N PRO 96.A O no hydrogen 2.862 N/A LEU 100.A N GLU 97.A O no hydrogen 3.264 N/A VAL 103.A N LEU 100.A O no hydrogen 2.767 N/A LEU 104.A N PRO 101.A O no hydrogen 3.111 N/A GLN 105.A NE2 GLU 109.A OE2 no hydrogen 2.990 N/A VAL 107.A N VAL 103.A O no hydrogen 2.965 N/A ALA 108.A N LEU 104.A O no hydrogen 3.032 N/A GLU 109.A N GLN 105.A O no hydrogen 2.918 N/A VAL 110.A N PRO 106.A O no hydrogen 3.097 N/A MET 111.A N VAL 107.A O no hydrogen 2.894 N/A ASP 112.A N ALA 108.A O no hydrogen 2.800 N/A ALA 113.A N GLU 109.A O no hydrogen 2.745 N/A ILE 114.A N VAL 110.A O no hydrogen 2.951 N/A ALA 115.A N MET 111.A O no hydrogen 3.094 N/A ALA 116.A N ASP 112.A O no hydrogen 2.884 N/A ALA 117.A N ILE 114.A O no hydrogen 3.095 N/A SER 120.A N ASP 118.A OD2 no hydrogen 2.980 N/A SER 120.A OG ASP 118.A OD2 no hydrogen 2.666 N/A THR 122.A N LEU 119.A O no hydrogen 2.862 N/A THR 122.A OG1 LEU 119.A O no hydrogen 2.777 N/A SER 123.A N GLY 132.A O no hydrogen 3.234 N/A PHE 125.A N TYR 136.A O no hydrogen 2.997 N/A GLY 126.A N PHE 214.A O no hydrogen 2.949 N/A PHE 128.A N ALA 212.A O no hydrogen 3.483 N/A GLY 129.A N ILE 133.A O no hydrogen 3.251 N/A GLY 132.A N GLY 129.A O no hydrogen 3.075 N/A GLY 134.A N SER 123.A O no hydrogen 2.713 N/A GLN 135.A N PRO 127.A O no hydrogen 2.927 N/A TYR 136.A N PHE 125.A O no hydrogen 3.003 N/A TRP 139.A N GLU 182.A OE2 no hydrogen 2.920 N/A TRP 139.A NE1 TYR 257.A OH no hydrogen 2.837 N/A ARG 140.A N GLU 182.A OE1 no hydrogen 3.282 N/A ASP 141.A N THR 138.A OG1 no hydrogen 2.944 N/A PHE 142.A N THR 138.A O no hydrogen 3.146 N/A ILE 143.A N TRP 139.A O no hydrogen 2.913 N/A CYS 144.A N ARG 140.A O no hydrogen 2.861 N/A CYS 144.A SG ARG 140.A O no hydrogen 3.354 N/A ALA 145.A N PHE 142.A O no hydrogen 3.273 N/A ALA 147.A N CYS 144.A O no hydrogen 2.934 N/A ASP 148.A N ALA 145.A O no hydrogen 2.793 N/A HIS 150.A N ASP 148.A OD2 no hydrogen 2.987 N/A VAL 151.A N ASP 148.A O no hydrogen 2.785 N/A TYR 152.A N ASP 148.A O no hydrogen 2.881 N/A TYR 152.A OH ASP 264.A OD1 no hydrogen 2.644 N/A HIS 153.A N TYR 267.A OH no hydrogen 3.186 N/A HIS 153.A ND1 PRO 149.A O no hydrogen 2.812 N/A TRP 154.A N TYR 152.A O no hydrogen 3.004 N/A TRP 154.A NE1 ILE 146.A O no hydrogen 3.016 N/A THR 156.A OG1 HIS 153.A O no hydrogen 2.932 N/A VAL 157.A N TRP 154.A O no hydrogen 2.879 N/A MET 158.A N TRP 154.A O no hydrogen 2.947 N/A THR 161.A OG1 ASP 159.A OD1 no hydrogen 3.549 N/A SER 163.A N ASP 159.A O no hydrogen 2.840 N/A SER 165.A OG GLN 282.A OE1 no hydrogen 2.883 N/A SER 165.A OG ASP 286.A OD1 no hydrogen 2.830 N/A SER 165.A OG ASP 286.A OD2 no hydrogen 3.161 N/A VAL 166.A N VAL 162.A O no hydrogen 2.800 N/A ALA 167.A N SER 163.A O no hydrogen 2.997 N/A GLN 168.A N ALA 164.A O no hydrogen 2.988 N/A ALA 169.A N SER 165.A O no hydrogen 3.080 N/A LEU 170.A N VAL 166.A O no hydrogen 2.795 N/A ASP 171.A N ALA 167.A O no hydrogen 2.849 N/A GLU 172.A N GLN 168.A O no hydrogen 3.260 N/A LEU 173.A N ALA 169.A O no hydrogen 3.038 N/A MET 174.A N LEU 170.A O no hydrogen 2.803 N/A LEU 175.A N ASP 171.A O no hydrogen 3.188 N/A TRP 176.A N GLU 172.A O no hydrogen 2.955 N/A ALA 177.A N LEU 173.A O no hydrogen 2.769 N/A GLU 178.A N LEU 175.A O no hydrogen 3.253 N/A ASP 179.A N TRP 176.A O no hydrogen 2.891 N/A CYS 180.A N ALA 177.A O no hydrogen 3.072 N/A CYS 180.A SG PRO 181.A O no hydrogen 3.632 N/A ARG 184.A NH1 LEU 119.A O no hydrogen 3.460 N/A ARG 184.A NH1 THR 122.A O no hydrogen 3.295 N/A ARG 184.A NH1 THR 122.A OG1 no hydrogen 3.366 N/A ARG 184.A NH2 THR 122.A OG1 no hydrogen 3.102 N/A ARG 184.A NH2 GLY 124.A O no hydrogen 3.061 N/A HIS 185.A N GLY 215.A O no hydrogen 2.803 N/A VAL 187.A N MET 213.A O no hydrogen 2.899 N/A HIS 188.A N GLU 220.A OE1 no hydrogen 2.875 N/A ALA 189.A N GLU 220.A OE2 no hydrogen 2.732 N/A ASN 195.A ND2 ASP 190.A O no hydrogen 2.741 N/A ASN 195.A ND2 ASP 190.A OD2 no hydrogen 2.787 N/A LEU 197.A N ALA 205.A O no hydrogen 2.913 N/A THR 198.A N VAL 90.A O no hydrogen 2.850 N/A THR 198.A OG1 ARG 202.A O no hydrogen 2.712 N/A ASP 199.A N ARG 202.A O no hydrogen 2.946 N/A ARG 202.A N ASP 199.A O no hydrogen 2.852 N/A THR 204.A N LEU 197.A O no hydrogen 2.876 N/A THR 204.A OG1 GLN 88.A O no hydrogen 2.640 N/A ALA 205.A N LEU 197.A O no hydrogen 3.416 N/A VAL 206.A N PRO 65.A O no hydrogen 2.934 N/A ILE 207.A N ASN 195.A O no hydrogen 2.887 N/A TRP 209.A N ASP 52.A OD1 no hydrogen 2.752 N/A TRP 209.A NE1 VAL 206.A O no hydrogen 2.903 N/A SER 210.A N ASP 208.A OD2 no hydrogen 3.192 N/A SER 210.A OG ASP 208.A OD2 no hydrogen 3.020 N/A ALA 212.A N TRP 209.A O no hydrogen 3.125 N/A MET 213.A N VAL 187.A O no hydrogen 2.718 N/A PHE 214.A N GLY 126.A O no hydrogen 3.120 N/A GLY 215.A N HIS 185.A O no hydrogen 2.722 N/A LEU 218.A N ASP 216.A OD1 no hydrogen 2.839 N/A TYR 219.A N ASP 216.A O no hydrogen 2.800 N/A GLU 220.A N PRO 217.A O no hydrogen 3.001 N/A ALA 222.A N LEU 218.A O no hydrogen 2.988 N/A ASN 223.A N GLU 220.A O no hydrogen 3.154 N/A PHE 225.A N VAL 221.A O no hydrogen 3.061 N/A PHE 226.A N ALA 222.A O no hydrogen 2.793 N/A TRP 227.A N ASN 223.A O no hydrogen 3.060 N/A ARG 228.A N PHE 225.A O no hydrogen 3.416 N/A ARG 228.A NE GLU 235.A OE1 no hydrogen 3.033 N/A ARG 228.A NH1 GLU 235.A OE2 no hydrogen 3.029 N/A ARG 228.A NH1 GLU 242.A OE2 no hydrogen 3.390 N/A ARG 228.A NH2 GLU 242.A OE1 no hydrogen 2.705 N/A TRP 230.A N TRP 227.A O no hydrogen 2.965 N/A LEU 231.A N TRP 227.A O no hydrogen 3.396 N/A CYS 233.A SG GLY 192.A O no hydrogen 3.539 N/A MET 234.A N LEU 231.A O no hydrogen 2.885 N/A GLU 235.A N LEU 231.A O no hydrogen 2.936 N/A GLN 236.A N ALA 232.A O no hydrogen 2.868 N/A GLN 237.A N CYS 233.A O no hydrogen 3.208 N/A ALA 238.A N MET 234.A O no hydrogen 3.041 N/A ARG 239.A N GLU 235.A O no hydrogen 3.013 N/A ARG 239.A NE GLU 235.A OE2 no hydrogen 2.710 N/A TYR 240.A N GLN 236.A O no hydrogen 3.095 N/A PHE 241.A N GLN 237.A O no hydrogen 3.002 N/A GLU 242.A N ALA 238.A O no hydrogen 2.750 N/A ARG 243.A N ARG 239.A O no hydrogen 3.014 N/A ARG 244.A N PHE 241.A O no hydrogen 3.017 N/A HIS 245.A N PHE 241.A O no hydrogen 2.812 N/A HIS 245.A N GLU 242.A O no hydrogen 3.185 N/A HIS 245.A ND1 PHE 241.A O no hydrogen 3.238 N/A GLU 247.A N GLU 247.A OE2 no hydrogen 2.676 N/A ALA 249.A N HIS 245.A O no hydrogen 3.076 N/A GLY 250.A N GLU 247.A O no hydrogen 3.047 N/A SER 251.A N LEU 248.A O no hydrogen 3.432 N/A SER 251.A OG LEU 248.A O no hydrogen 3.138 N/A ARG 253.A NH1 ASP 216.A OD2 no hydrogen 2.989 N/A LEU 254.A N SER 251.A OG no hydrogen 3.154 N/A ARG 255.A N SER 251.A O no hydrogen 3.229 N/A ARG 255.A NH1 GLY 250.A O no hydrogen 2.824 N/A ALA 256.A N PRO 252.A O no hydrogen 2.870 N/A TYR 257.A N ARG 253.A O no hydrogen 2.946 N/A TYR 257.A OH ASP 216.A OD2 no hydrogen 2.586 N/A MET 258.A N LEU 254.A O no hydrogen 2.879 N/A LEU 259.A N ARG 255.A O no hydrogen 2.951 N/A ARG 260.A N ALA 256.A O no hydrogen 2.972 N/A ARG 260.A NE PHE 142.A O no hydrogen 3.401 N/A ARG 260.A NE ILE 143.A O no hydrogen 2.937 N/A ARG 260.A NH1 ARG 260.A O no hydrogen 3.270 N/A ARG 260.A NH2 PHE 142.A O no hydrogen 2.932 N/A ILE 261.A N TYR 257.A O no hydrogen 2.921 N/A GLY 262.A N MET 258.A O no hydrogen 2.710 N/A LEU 263.A N LEU 259.A O no hydrogen 2.747 N/A ASP 264.A N ARG 260.A O no hydrogen 3.407 N/A GLN 265.A N ILE 261.A O no hydrogen 3.050 N/A LEU 266.A N GLY 262.A O no hydrogen 2.800 N/A TYR 267.A N LEU 263.A O no hydrogen 2.702 N/A GLN 268.A N ASP 264.A O no hydrogen 2.819 N/A GLN 268.A NE2 ASP 272.A OD2 no hydrogen 3.082 N/A SER 269.A N GLN 265.A O no hydrogen 2.880 N/A SER 269.A OG GLN 265.A O no hydrogen 2.711 N/A LEU 270.A N LEU 266.A O no hydrogen 2.964 N/A VAL 271.A N TYR 267.A O no hydrogen 3.015 N/A ASP 272.A N GLN 268.A O no hydrogen 2.831 N/A GLY 273.A N LEU 270.A O no hydrogen 3.186 N/A ASN 274.A N SER 269.A O no hydrogen 2.894 N/A ALA 278.A N ASN 274.A O no hydrogen 3.021 N/A ALA 279.A N PHE 275.A O no hydrogen 2.962 N/A TRP 280.A N ASP 276.A O no hydrogen 3.196 N/A ALA 281.A N ASP 277.A O no hydrogen 2.898 N/A GLN 282.A N ALA 278.A O no hydrogen 2.854 N/A GLY 283.A N ALA 279.A O no hydrogen 2.954 N/A ARG 284.A N TRP 280.A O no hydrogen 2.772 N/A ARG 284.A NE PHE 226.A O no hydrogen 2.915 N/A ARG 284.A NH1 PHE 225.A O no hydrogen 2.902 N/A CYS 285.A N ALA 281.A O no hydrogen 2.720 N/A CYS 285.A SG ALA 281.A O no hydrogen 3.358 N/A ASP 286.A N GLN 282.A O no hydrogen 2.928 N/A ALA 287.A N GLY 283.A O no hydrogen 3.147 N/A ILE 288.A N ARG 284.A O no hydrogen 3.051 N/A VAL 289.A N CYS 285.A O no hydrogen 2.862 N/A ARG 290.A N ASP 286.A O no hydrogen 2.861 N/A SER 291.A N ALA 287.A O no hydrogen 3.201 N/A SER 291.A N ILE 288.A O no hydrogen 3.158 N/A SER 291.A OG ILE 288.A O no hydrogen 2.550 N/A GLY 292.A N VAL 289.A O no hydrogen 2.995 N/A ALA 293.A N VAL 289.A O no hydrogen 3.165 N/A ALA 293.A N ARG 290.A O no hydrogen 3.316 N/A THR 295.A OG1 GLY 292.A O no hydrogen 3.535 N/A