Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wl9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLN 81.A OE1 no hydrogen 3.481 N/A VAL 4.A N LEU 167.A O no hydrogen 2.785 N/A THR 5.A N ARG 68.A O no hydrogen 2.736 N/A THR 5.A OG1 ARG 68.A O no hydrogen 3.248 N/A GLY 8.A N GLY 66.A O no hydrogen 2.783 N/A TYR 9.A N GLY 66.A O no hydrogen 3.263 N/A TYR 9.A OH GLU 117.A OE1 no hydrogen 2.694 N/A LEU 10.A N ARG 51.A O no hydrogen 2.985 N/A GLY 11.A N TYR 64.A O no hydrogen 2.852 N/A LEU 12.A N VAL 53.A O no hydrogen 2.835 N/A SER 13.A N ASP 61.A O no hydrogen 2.815 N/A SER 13.A OG ASP 57.A OD2 no hydrogen 2.698 N/A VAL 14.A N HIS 55.A O no hydrogen 2.827 N/A SER 15.A N ASP 60.A OD1 no hydrogen 3.099 N/A SER 15.A OG.A ASP 60.A OD1 no hydrogen 3.282 N/A SER 15.A OG.A ASP 60.A OD2 no hydrogen 2.732 N/A SER 15.A OG.B GLY 58.A O no hydrogen 2.660 N/A SER 15.A OG.B SER 59.A O no hydrogen 3.242 N/A SER 15.A OG.B ASP 60.A OD2 no hydrogen 2.441 N/A ALA 19.A N ASN 16.A OD1 no hydrogen 2.958 N/A TRP 20.A N ASN 16.A O no hydrogen 3.227 N/A TRP 20.A NE1 SER 258.A OG no hydrogen 3.093 N/A ARG 21.A N LEU 17.A O no hydrogen 3.000 N/A ASP 22.A N ASP 18.A O no hydrogen 3.176 N/A TYR 23.A N ALA 19.A O no hydrogen 2.936 N/A TYR 23.A OH ALA 255.A O no hydrogen 3.059 N/A ALA 24.A N TRP 20.A O no hydrogen 2.877 N/A ALA 25.A N ARG 21.A O no hydrogen 2.966 N/A GLY 26.A N ARG 21.A O no hydrogen 3.328 N/A ILE 27.A N TYR 23.A O no hydrogen 3.070 N/A MET 28.A N TYR 23.A O no hydrogen 3.046 N/A GLY 29.A N ALA 25.A O no hydrogen 3.099 N/A MET 30.A N ALA 24.A O no hydrogen 2.960 N/A GLN 31.A N ARG 44.A O no hydrogen 2.819 N/A VAL 33.A N TYR 42.A O no hydrogen 2.852 N/A GLY 36.A N ASP 34.A OD1 no hydrogen 2.695 N/A ARG 40.A NE ASP 39.A OD1 no hydrogen 2.983 N/A ARG 40.A NH1 GLU 99.A OE2 no hydrogen 2.909 N/A ARG 40.A NH2 ASP 39.A OD2 no hydrogen 2.914 N/A ARG 40.A NH2 GLU 99.A OE2 no hydrogen 3.468 N/A ILE 41.A N LEU 54.A O no hydrogen 3.196 N/A TYR 42.A N VAL 33.A O no hydrogen 2.697 N/A TYR 42.A OH GLU 37.A OE1 no hydrogen 2.550 N/A TYR 42.A OH GLU 37.A OE2 no hydrogen 3.125 N/A LEU 43.A N ILE 52.A O no hydrogen 2.794 N/A ARG 44.A N GLN 31.A O no hydrogen 2.691 N/A ARG 44.A NE TRP 48.A O no hydrogen 2.975 N/A ARG 44.A NH1 GLN 31.A OE1 no hydrogen 3.118 N/A ARG 44.A NH1 SER 128.A O no hydrogen 2.738 N/A ARG 44.A NH2 ARG 47.A O no hydrogen 3.046 N/A ARG 44.A NH2 SER 128.A O no hydrogen 2.775 N/A TRP 48.A N ASP 46.A OD1 no hydrogen 3.135 N/A HIS 49.A N GLN 123.A O no hydrogen 2.886 N/A HIS 49.A ND1 ASP 125.A OD2 no hydrogen 3.236 N/A ARG 51.A N LEU 43.A O no hydrogen 2.908 N/A ARG 51.A NE GLY 8.A O no hydrogen 3.051 N/A ARG 51.A NH1 ASP 46.A OD2 no hydrogen 2.711 N/A ARG 51.A NH2 GLU 6.A OE1 no hydrogen 2.650 N/A ARG 51.A NH2 GLY 8.A O no hydrogen 3.086 N/A ILE 52.A N LEU 43.A O no hydrogen 3.131 N/A VAL 53.A N LEU 10.A O no hydrogen 2.855 N/A LEU 54.A N ILE 41.A O no hydrogen 2.913 N/A HIS 55.A N LEU 12.A O no hydrogen 2.741 N/A HIS 55.A NE2 TYR 64.A OH no hydrogen 2.725 N/A ALA 56.A N ASP 39.A O no hydrogen 3.011 N/A GLY 58.A N VAL 14.A O no hydrogen 3.328 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.863 N/A ASP 61.A N SER 13.A O no hydrogen 3.022 N/A LEU 62.A N ASP 61.A OD1 no hydrogen 2.711 N/A ALA 63.A N GLY 11.A O no hydrogen 2.630 N/A TYR 64.A N GLY 11.A O no hydrogen 3.230 N/A TYR 64.A OH HIS 55.A NE2 no hydrogen 2.725 N/A ILE 65.A N PRO 115.A O no hydrogen 3.016 N/A GLY 66.A N TYR 9.A O no hydrogen 2.857 N/A TRP 67.A N GLU 117.A O no hydrogen 2.697 N/A ARG 68.A N GLU 6.A O no hydrogen 2.969 N/A ARG 68.A NH1 GLU 6.A OE2 no hydrogen 2.911 N/A VAL 69.A N PHE 119.A O no hydrogen 2.768 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.738 N/A LEU 75.A N GLY 71.A O no hydrogen 2.933 N/A ASP 76.A N PRO 72.A O no hydrogen 2.881 N/A GLU 77.A N VAL 73.A O no hydrogen 3.024 N/A LEU 78.A N GLU 74.A O no hydrogen 2.947 N/A ALA 79.A N LEU 75.A O no hydrogen 2.883 N/A GLU 80.A N ASP 76.A O no hydrogen 2.936 N/A GLN 81.A N GLU 77.A O no hydrogen 3.038 N/A GLN 81.A NE2 LEU 166.A O no hydrogen 3.121 N/A LEU 82.A N LEU 78.A O no hydrogen 2.917 N/A LYS 83.A N ALA 79.A O no hydrogen 2.896 N/A ASN 84.A N GLU 80.A O no hydrogen 2.949 N/A ALA 85.A N GLN 81.A O no hydrogen 2.885 N/A GLY 86.A N LYS 83.A O no hydrogen 3.256 N/A ILE 87.A N LEU 82.A O no hydrogen 2.858 N/A GLU 90.A N LYS 107.A O no hydrogen 2.816 N/A ALA 92.A N LEU 105.A O no hydrogen 3.051 N/A ASP 96.A N SER 93.A OG no hydrogen 3.069 N/A ALA 97.A N SER 93.A O no hydrogen 2.974 N/A ALA 98.A N ASP 94.A O no hydrogen 2.872 N/A GLU 99.A N ALA 95.A O no hydrogen 3.096 N/A ARG 100.A NH1 GLU 117.A OE2 no hydrogen 2.980 N/A ARG 101.A N ALA 98.A O no hydrogen 2.912 N/A ARG 101.A NH1 ASP 35.A OD2 no hydrogen 3.237 N/A ARG 101.A NH1 GLN 123.A OE1 no hydrogen 3.289 N/A ARG 101.A NH2 ASP 35.A OD2 no hydrogen 2.645 N/A VAL 102.A N ALA 97.A O no hydrogen 3.022 N/A LEU 103.A N TYR 120.A O no hydrogen 3.176 N/A LEU 103.A N GLY 121.A O no hydrogen 3.133 N/A GLY 104.A N TYR 120.A O no hydrogen 3.416 N/A VAL 106.A N ILE 118.A O no hydrogen 2.798 N/A LYS 107.A N GLU 90.A O no hydrogen 2.887 N/A LEU 108.A N THR 116.A O no hydrogen 2.753 N/A ASP 110.A N ASN 114.A O no hydrogen 2.995 N/A GLY 113.A N ASP 110.A O no hydrogen 2.824 N/A ASN 114.A N ASP 110.A OD1 no hydrogen 2.831 N/A THR 116.A N LEU 108.A O no hydrogen 2.768 N/A THR 116.A OG1 ASN 114.A O no hydrogen 2.757 N/A GLU 117.A N ILE 65.A O no hydrogen 2.771 N/A ILE 118.A N VAL 106.A O no hydrogen 2.965 N/A PHE 119.A N TRP 67.A O no hydrogen 2.919 N/A TYR 120.A N GLY 104.A O no hydrogen 3.082 N/A GLN 123.A N ARG 101.A O no hydrogen 2.891 N/A GLN 123.A NE2 ASP 125.A OD1 no hydrogen 2.951 N/A ASP 125.A N ARG 47.A O no hydrogen 2.921 N/A SER 128.A N ASP 125.A O no hydrogen 3.130 N/A HIS 131.A N GLN 31.A OE1 no hydrogen 3.007 N/A GLY 133.A N GLY 29.A O no hydrogen 3.114 N/A ARG 134.A NE ILE 27.A O no hydrogen 2.924 N/A ARG 134.A NH1 PRO 135.A O no hydrogen 2.953 N/A ARG 134.A NH1 ASP 222.A OD1 no hydrogen 2.996 N/A ARG 134.A NH2 TYR 217.A OH no hydrogen 3.101 N/A ARG 134.A NH2 ASP 222.A O no hydrogen 3.000 N/A PHE 137.A N ASP 222.A OD1 no hydrogen 2.775 N/A GLY 138.A N ASP 222.A OD2 no hydrogen 2.669 N/A LYS 139.A N THR 218.A OG1 no hydrogen 2.871 N/A VAL 141.A N GLU 216.A O no hydrogen 2.838 N/A THR 142.A OG1 ASP 46.A OD2 no hydrogen 2.568 N/A GLN 145.A N THR 142.A O no hydrogen 2.681 N/A LEU 147.A N LEU 7.A O no hydrogen 2.992 N/A HIS 149.A N MET 214.A O no hydrogen 3.336 N/A ILE 150.A N SER 198.A O no hydrogen 3.191 N/A ILE 151.A N HIS 212.A O no hydrogen 3.146 N/A ILE 152.A N ALA 200.A O no hydrogen 3.106 N/A ARG 153.A N ARG 209.A O no hydrogen 2.843 N/A GLU 159.A N ASP 156.A OD1 no hydrogen 2.915 N/A ALA 160.A N ASP 156.A O no hydrogen 2.912 N/A THR 161.A N VAL 157.A O no hydrogen 2.901 N/A THR 161.A OG1 VAL 157.A O no hydrogen 2.836 N/A ARG 162.A N GLU 158.A O no hydrogen 3.038 N/A PHE 163.A N GLU 159.A O no hydrogen 2.972 N/A TYR 164.A N ALA 160.A O no hydrogen 2.920 N/A TYR 164.A OH ASP 110.A OD2 no hydrogen 2.537 N/A ARG 165.A N THR 161.A O no hydrogen 2.880 N/A ARG 165.A NH2 GLY 171.A O no hydrogen 2.926 N/A LEU 166.A N ARG 162.A O no hydrogen 3.069 N/A LEU 167.A N PHE 163.A O no hydrogen 3.220 N/A GLY 168.A N TYR 164.A O no hydrogen 3.170 N/A GLY 168.A N ARG 165.A O no hydrogen 3.110 N/A LEU 169.A N TYR 164.A O no hydrogen 3.042 N/A GLU 170.A N HIS 191.A O no hydrogen 2.819 N/A GLU 174.A N PRO 187.A O no hydrogen 3.163 N/A TYR 175.A OH ASP 281.A OD1 no hydrogen 2.848 N/A LYS 176.A N TYR 278.A O no hydrogen 3.036 N/A PHE 177.A N GLY 185.A O no hydrogen 2.915 N/A LEU 179.A N ALA 183.A O no hydrogen 3.135 N/A GLY 185.A N PHE 177.A O no hydrogen 3.132 N/A VAL 188.A N PHE 201.A O no hydrogen 2.787 N/A PHE 189.A N ALA 172.A O no hydrogen 3.061 N/A MET 190.A N LEU 199.A O no hydrogen 2.827 N/A HIS 191.A N GLU 170.A O no hydrogen 2.823 N/A ASN 193.A ND2 THR 5.A O no hydrogen 2.827 N/A ARG 195.A N ASN 193.A OD1 no hydrogen 2.894 N/A ARG 195.A NE GLN 145.A O no hydrogen 2.736 N/A ARG 195.A NH2 VAL 141.A O no hydrogen 2.757 N/A ARG 195.A NH2 GLN 145.A O no hydrogen 3.295 N/A ARG 195.A NH2 GLY 146.A O no hydrogen 2.891 N/A HIS 196.A ND1 HIS 197.A ND1 no hydrogen 2.971 N/A HIS 197.A ND1 HIS 196.A ND1 no hydrogen 2.971 N/A SER 198.A N MET 190.A O no hydrogen 2.849 N/A LEU 199.A N MET 190.A O no hydrogen 3.307 N/A ALA 200.A N ILE 150.A O no hydrogen 3.022 N/A PHE 201.A N VAL 188.A O no hydrogen 2.985 N/A LYS 208.A NZ ASP 60.A O no hydrogen 2.831 N/A LYS 208.A NZ SER 258.A O no hydrogen 3.385 N/A ARG 209.A N ASP 61.A OD1 no hydrogen 3.076 N/A ARG 209.A N ASP 61.A OD2 no hydrogen 3.172 N/A ASN 211.A N ILE 151.A O no hydrogen 2.898 N/A ASN 211.A ND2 HIS 212.A ND1 no hydrogen 2.981 N/A LEU 213.A N LEU 261.A O no hydrogen 3.231 N/A MET 214.A N HIS 149.A O no hydrogen 2.781 N/A ILE 215.A N GLU 263.A O no hydrogen 3.164 N/A TYR 217.A N GLY 265.A O no hydrogen 2.880 N/A TYR 217.A OH MET 28.A O no hydrogen 2.550 N/A THR 218.A N LYS 139.A O no hydrogen 2.768 N/A THR 218.A OG1 LYS 139.A O no hydrogen 3.266 N/A THR 218.A OG1 HIS 219.A ND1 no hydrogen 2.826 N/A HIS 219.A ND1 THR 218.A OG1 no hydrogen 2.826 N/A ASP 222.A N HIS 219.A O no hydrogen 2.874 N/A GLY 224.A N LEU 220.A O no hydrogen 3.093 N/A TYR 225.A N ASP 221.A O no hydrogen 2.962 N/A ALA 226.A N ASP 222.A O no hydrogen 3.067 N/A HIS 227.A N LEU 223.A O no hydrogen 2.886 N/A ASP 228.A N GLY 224.A O no hydrogen 3.037 N/A LEU 229.A N TYR 225.A O no hydrogen 3.149 N/A VAL 230.A N ALA 226.A O no hydrogen 2.968 N/A ARG 231.A N HIS 227.A O no hydrogen 3.033 N/A ARG 231.A NH1 GLU 288.A OE1 no hydrogen 3.309 N/A ARG 231.A NH1 GLU 288.A OE2 no hydrogen 2.839 N/A ARG 231.A NH2 HIS 227.A NE2 no hydrogen 3.033 N/A GLN 232.A N ASP 228.A O no hydrogen 2.884 N/A GLN 233.A N LEU 229.A O no hydrogen 2.890 N/A LYS 234.A N ARG 231.A O no hydrogen 3.290 N/A ILE 235.A N VAL 230.A O no hydrogen 3.134 N/A THR 238.A N TYR 253.A O no hydrogen 2.852 N/A THR 238.A OG1 VAL 289.A O no hydrogen 2.699 N/A LEU 239.A N TYR 253.A O no hydrogen 3.456 N/A GLN 240.A N ASP 286.A O no hydrogen 2.889 N/A GLN 240.A NE2 GLU 288.A OE1 no hydrogen 2.773 N/A GLY 242.A N THR 251.A O no hydrogen 2.971 N/A LYS 243.A N PHE 283.A O no hydrogen 2.929 N/A HIS 244.A ND1 ASP 281.A OD1 no hydrogen 3.038 N/A HIS 244.A NE2 TYR 253.A OH no hydrogen 2.590 N/A SER 245.A N TYR 175.A OH no hydrogen 2.817 N/A SER 245.A OG ARG 280.A O no hydrogen 2.545 N/A ASN 246.A ND2 GLU 174.A OE1 no hydrogen 3.025 N/A ASP 247.A N ASN 246.A OD1 no hydrogen 2.856 N/A GLU 248.A N HIS 244.A O no hydrogen 3.160 N/A ALA 249.A N ASP 247.A OD1 no hydrogen 3.175 N/A LEU 250.A N TRP 266.A O no hydrogen 2.871 N/A THR 251.A N GLY 242.A O no hydrogen 2.958 N/A THR 251.A OG1 GLU 263.A OE2 no hydrogen 2.661 N/A PHE 252.A N PRO 264.A O no hydrogen 3.267 N/A TYR 253.A N LEU 239.A O no hydrogen 3.068 N/A TYR 253.A OH HIS 244.A NE2 no hydrogen 2.590 N/A CYS 254.A N TRP 262.A O no hydrogen 2.946 N/A CYS 254.A SG TYR 23.A OH no hydrogen 3.359 N/A CYS 254.A SG TRP 262.A O no hydrogen 3.826 N/A ALA 255.A N ASP 236.A O no hydrogen 2.839 N/A ASN 256.A N TRP 260.A O no hydrogen 2.824 N/A SER 258.A N ASN 256.A OD1 no hydrogen 2.771 N/A SER 258.A OG ASP 60.A OD1 no hydrogen 2.614 N/A GLY 259.A N ASN 256.A O no hydrogen 2.985 N/A LEU 261.A N ASN 211.A O no hydrogen 3.206 N/A TRP 262.A N CYS 254.A O no hydrogen 2.928 N/A GLU 263.A N LEU 213.A O no hydrogen 2.857 N/A GLY 265.A N ILE 215.A O no hydrogen 2.995 N/A TRP 266.A N LEU 250.A O no hydrogen 2.903 N/A TRP 266.A NE1 THR 218.A O no hydrogen 3.083 N/A SER 268.A N GLU 216.A OE2 no hydrogen 3.133 N/A ARG 269.A N ASP 247.A O no hydrogen 2.935 N/A ARG 269.A NE ASN 246.A O no hydrogen 2.838 N/A ARG 269.A NH2 ASN 246.A O no hydrogen 3.128 N/A ARG 269.A NH2 GLU 276.A OE1 no hydrogen 3.339 N/A TYR 278.A N GLU 174.A O no hydrogen 2.895 N/A TYR 278.A OH GLU 276.A OE1 no hydrogen 2.497 N/A ARG 280.A NE ASP 281.A O no hydrogen 2.812 N/A ARG 280.A NH2 ASP 281.A O no hydrogen 3.082 N/A ASP 281.A N LEU 298.A O no hydrogen 3.116 N/A ILE 282.A N LYS 243.A O no hydrogen 3.002 N/A HIS 285.A N ILE 241.A O no hydrogen 3.043 N/A HIS 285.A ND1 GLN 240.A O no hydrogen 2.944 N/A ASN 287.A ND2 ILE 296.A O no hydrogen 3.474 N/A GLU 288.A N THR 238.A O no hydrogen 3.011 N/A VAL 289.A N VAL 237.A O no hydrogen 2.958 N/A GLY 291.A N ASP 295.A OD1 no hydrogen 2.872 N/A TYR 292.A OH ASP 236.A OD2 no hydrogen 2.845 N/A