Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w2d_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N LEU 12.A O no hydrogen 2.857 N/A LEU 10.A N THR 7.A O no hydrogen 3.409 N/A ILE 11.A N LEU 52.A O no hydrogen 2.745 N/A LEU 12.A N LYS 3.A O no hydrogen 2.817 N/A LYS 13.A N LEU 50.A O no hydrogen 2.968 N/A LYS 13.A NZ GLU 19.A OE1 no hydrogen 2.901 N/A LYS 13.A NZ GLU 19.A OE2 no hydrogen 3.000 N/A ARG 14.A N SER 1.A O no hydrogen 2.810 N/A CYS 15.A N SER 48.A O no hydrogen 3.213 N/A ARG 20.A N SER 16.A O no hydrogen 2.972 N/A TYR 21.A N GLU 17.A O no hydrogen 2.918 N/A TYR 21.A OH HIS 197.A NE2 no hydrogen 2.588 N/A CYS 22.A N PRO 18.A O no hydrogen 2.967 N/A CYS 22.A SG PRO 18.A O no hydrogen 3.367 N/A CYS 22.A SG PHE 221.A O no hydrogen 3.865 N/A CYS 22.A SG THR 224.A O no hydrogen 3.278 N/A LEU 23.A N GLU 19.A O no hydrogen 2.854 N/A ALA 24.A N ARG 20.A O no hydrogen 3.354 N/A ARG 25.A N TYR 21.A O no hydrogen 3.256 N/A LEU 26.A N CYS 22.A O no hydrogen 2.864 N/A MET 27.A N LEU 23.A O no hydrogen 3.004 N/A ALA 28.A N ARG 25.A O no hydrogen 3.123 N/A ASP 29.A N LEU 26.A O no hydrogen 3.041 N/A LEU 31.A N ASP 29.A OD2 no hydrogen 2.887 N/A ARG 32.A N ASP 29.A O no hydrogen 3.061 N/A ARG 32.A NH1 MET 27.A O no hydrogen 2.997 N/A CYS 34.A N LEU 31.A O no hydrogen 2.900 N/A ALA 37.A N GLN 53.A OE1 no hydrogen 3.025 N/A HIS 39.A N GLN 51.A O no hydrogen 2.941 N/A VAL 42.A N TYR 49.A O no hydrogen 2.938 N/A ARG 44.A N GLU 47.A O no hydrogen 2.711 N/A ARG 44.A NE GLU 43.A O no hydrogen 2.608 N/A ARG 44.A NH2 GLU 43.A O no hydrogen 2.938 N/A TYR 49.A N VAL 42.A O no hydrogen 2.772 N/A LEU 50.A N LYS 13.A O no hydrogen 2.676 N/A GLN 51.A N GLY 40.A O no hydrogen 2.880 N/A LEU 52.A N ILE 11.A O no hydrogen 2.842 N/A GLN 53.A N ALA 37.A O no hydrogen 3.013 N/A ASP 54.A N GLY 9.A O no hydrogen 3.040 N/A LEU 56.A N ASP 54.A OD1 no hydrogen 3.011 N/A ASP 57.A N ASP 54.A O no hydrogen 3.108 N/A PHE 59.A N LEU 56.A O no hydrogen 3.145 N/A ASP 60.A N ASP 209.A OD2 no hydrogen 2.749 N/A CYS 63.A N HIS 208.A O no hydrogen 2.773 N/A VAL 64.A N LYS 140.A O no hydrogen 2.886 N/A LEU 65.A N PHE 206.A O no hydrogen 2.848 N/A ASP 66.A N GLY 138.A O no hydrogen 3.039 N/A CYS 67.A N LEU 204.A O no hydrogen 2.924 N/A CYS 67.A SG ARG 135.A O no hydrogen 3.823 N/A LYS 68.A N ARG 135.A O no hydrogen 2.882 N/A MET 69.A N SER 202.A O no hydrogen 2.894 N/A GLY 70.A N GLY 133.A O no hydrogen 2.891 N/A VAL 71.A N ASP 246.A O no hydrogen 2.887 N/A ARG 72.A NE TYR 74.A O no hydrogen 2.962 N/A ARG 72.A NH2 TYR 74.A O no hydrogen 3.200 N/A ARG 72.A NH2 GLU 198.A OE2 no hydrogen 2.239 N/A THR 73.A N GLU 124.A OE2 no hydrogen 2.723 N/A THR 73.A OG1 GLU 124.A OE2 no hydrogen 2.460 N/A GLU 78.A N LEU 75.A O no hydrogen 3.057 N/A LEU 79.A N GLU 76.A O no hydrogen 3.046 N/A THR 80.A N GLU 76.A O no hydrogen 3.361 N/A LYS 81.A N GLU 77.A O no hydrogen 2.923 N/A ALA 82.A N GLU 78.A O no hydrogen 3.074 N/A ARG 83.A N THR 80.A O no hydrogen 3.241 N/A ARG 83.A NH1 GLU 241.A OE1 no hydrogen 3.259 N/A ARG 83.A NH1 GLU 241.A OE2 no hydrogen 3.190 N/A ARG 83.A NH2 GLU 241.A OE2 no hydrogen 2.941 N/A GLU 84.A N THR 80.A O no hydrogen 3.085 N/A ARG 85.A N LYS 81.A O no hydrogen 2.878 N/A ARG 89.A N VAL 114.A O no hydrogen 3.077 N/A ARG 89.A NH2 ASP 91.A OD2 no hydrogen 3.372 N/A MET 92.A N ASP 91.A OD1 no hydrogen 2.627 N/A TYR 93.A N ARG 89.A O no hydrogen 3.370 N/A TYR 93.A OH HIS 109.A ND1 no hydrogen 2.367 N/A LYS 94.A N LYS 90.A O no hydrogen 3.208 N/A LYS 94.A N ASP 91.A O no hydrogen 3.165 N/A LYS 95.A NZ TYR 119.A OH no hydrogen 3.505 N/A ALA 98.A N LYS 94.A O no hydrogen 3.293 N/A VAL 99.A N LYS 95.A O no hydrogen 2.749 N/A ASP 100.A N MET 96.A O no hydrogen 2.739 N/A GLU 102.A N ASP 100.A OD1 no hydrogen 3.331 N/A ALA 103.A N ASP 100.A O no hydrogen 3.001 N/A THR 105.A N GLU 108.A OE1 no hydrogen 3.001 N/A GLU 108.A N THR 105.A OG1 no hydrogen 2.908 N/A HIS 109.A N THR 105.A O no hydrogen 3.199 N/A HIS 109.A ND1 TYR 93.A OH no hydrogen 2.367 N/A ALA 110.A N GLU 106.A O no hydrogen 3.241 N/A GLN 111.A N GLU 107.A O no hydrogen 2.886 N/A GLN 111.A NE2 ALA 113.A O no hydrogen 2.950 N/A ARG 112.A N HIS 109.A O no hydrogen 2.799 N/A ALA 113.A N GLU 108.A O no hydrogen 3.003 N/A VAL 114.A N ARG 89.A O no hydrogen 3.360 N/A ARG 118.A N THR 115.A OG1 no hydrogen 3.245 N/A ARG 118.A NE GLU 108.A OE1 no hydrogen 3.246 N/A ARG 118.A NE GLU 108.A OE2 no hydrogen 2.805 N/A ARG 118.A NH2 ALA 103.A O no hydrogen 2.945 N/A ARG 118.A NH2 GLU 108.A OE1 no hydrogen 2.835 N/A TYR 119.A N THR 115.A O no hydrogen 3.128 N/A MET 120.A N LYS 116.A O no hydrogen 2.956 N/A GLN 121.A N PRO 117.A O no hydrogen 2.805 N/A GLN 121.A NE2 TYR 74.A OH no hydrogen 2.909 N/A TRP 122.A N ARG 118.A O no hydrogen 3.147 N/A ARG 123.A N TYR 119.A O no hydrogen 3.037 N/A ARG 123.A NH2 GLU 137.A OE2 no hydrogen 3.230 N/A GLU 124.A N MET 120.A O no hydrogen 2.997 N/A GLY 125.A N GLN 121.A O no hydrogen 3.175 N/A GLY 125.A N TRP 122.A O no hydrogen 3.098 N/A ILE 126.A N TRP 122.A O no hydrogen 3.178 N/A SER 127.A N ARG 123.A O no hydrogen 3.298 N/A SER 127.A OG ARG 123.A O no hydrogen 2.765 N/A SER 127.A OG GLU 124.A O no hydrogen 3.260 N/A SER 128.A OG PHE 134.A O no hydrogen 2.670 N/A SER 129.A N SER 127.A OG no hydrogen 3.281 N/A THR 130.A N GLU 124.A O no hydrogen 3.125 N/A LEU 132.A N SER 128.A O no hydrogen 2.839 N/A GLY 133.A N SER 129.A O no hydrogen 2.909 N/A ARG 135.A N LYS 68.A O no hydrogen 2.960 N/A ARG 135.A NE GLU 137.A OE2 no hydrogen 2.984 N/A ARG 135.A NH1 SER 129.A OG no hydrogen 3.081 N/A GLU 137.A N ASP 66.A O no hydrogen 2.737 N/A ILE 139.A N SER 147.A O no hydrogen 2.860 N/A LYS 140.A N VAL 64.A O no hydrogen 2.784 N/A SER 145.A N ASP 143.A OD1 no hydrogen 3.010 N/A SER 145.A OG ASP 143.A OD1 no hydrogen 2.687 N/A CYS 146.A SG GLY 144.A O no hydrogen 3.798 N/A SER 147.A N ILE 139.A O no hydrogen 2.913 N/A ASP 149.A N SER 147.A OG no hydrogen 3.117 N/A PHE 150.A N THR 148.A O no hydrogen 2.815 N/A LYS 151.A NZ THR 148.A O no hydrogen 2.937 N/A THR 153.A N PHE 150.A O no hydrogen 3.054 N/A THR 153.A OG1 PHE 150.A O no hydrogen 3.476 N/A ARG 154.A N GLN 158.A OE1 no hydrogen 2.881 N/A ARG 154.A NH1 GLY 125.A O no hydrogen 3.196 N/A SER 155.A N GLN 158.A OE1 no hydrogen 3.184 N/A ARG 156.A NH2 SER 261.A OG no hydrogen 3.135 N/A GLN 158.A N SER 155.A OG no hydrogen 3.063 N/A GLN 158.A NE2 THR 152.A O no hydrogen 3.692 N/A VAL 159.A N SER 155.A O no hydrogen 3.036 N/A LEU 160.A N ARG 156.A O no hydrogen 2.952 N/A ARG 161.A N GLU 157.A O no hydrogen 3.018 N/A VAL 162.A N GLN 158.A O no hydrogen 3.153 N/A PHE 163.A N VAL 159.A O no hydrogen 3.206 N/A GLU 164.A N LEU 160.A O no hydrogen 2.852 N/A GLU 165.A N ARG 161.A O no hydrogen 3.081 N/A PHE 166.A N VAL 162.A O no hydrogen 2.886 N/A VAL 167.A N PHE 163.A O no hydrogen 2.918 N/A GLN 168.A N GLU 164.A O no hydrogen 3.249 N/A ASP 170.A N VAL 167.A O no hydrogen 3.096 N/A GLU 171.A N GLU 171.A OE1 no hydrogen 2.883 N/A GLU 172.A N ASP 170.A OD1 no hydrogen 3.246 N/A VAL 173.A N ASP 170.A OD1 no hydrogen 3.182 N/A LEU 174.A N ASP 170.A O no hydrogen 3.154 N/A ARG 175.A N GLU 171.A O no hydrogen 2.931 N/A ARG 176.A N GLU 172.A O no hydrogen 2.918 N/A ARG 176.A NH1 HIS 212.A O no hydrogen 2.850 N/A TYR 177.A N VAL 173.A O no hydrogen 2.804 N/A LEU 178.A N LEU 174.A O no hydrogen 2.987 N/A ASN 179.A N ARG 175.A O no hydrogen 2.990 N/A ARG 180.A N ARG 176.A O no hydrogen 2.885 N/A ARG 180.A NE VAL 216.A O no hydrogen 2.827 N/A ARG 180.A NH2 GLY 33.A O no hydrogen 2.798 N/A ARG 180.A NH2 VAL 216.A O no hydrogen 2.997 N/A LEU 181.A N TYR 177.A O no hydrogen 2.847 N/A GLN 182.A N LEU 178.A O no hydrogen 2.920 N/A GLN 183.A N ASN 179.A O no hydrogen 3.139 N/A ILE 184.A N ARG 180.A O no hydrogen 2.881 N/A ARG 185.A N LEU 181.A O no hydrogen 2.851 N/A ARG 185.A NH1 ASP 253.A OD1 no hydrogen 2.996 N/A ARG 185.A NH2 GLN 182.A OE1 no hydrogen 2.890 N/A ASP 186.A N GLN 182.A O no hydrogen 3.085 N/A THR 187.A N GLN 183.A O no hydrogen 3.091 N/A THR 187.A OG1 GLN 183.A O no hydrogen 2.801 N/A THR 187.A OG1 GLN 183.A OE1 no hydrogen 3.456 N/A LEU 188.A N ILE 184.A O no hydrogen 2.837 N/A GLU 189.A N ARG 185.A O no hydrogen 3.037 N/A VAL 190.A N THR 187.A O no hydrogen 3.192 N/A SER 191.A N LEU 188.A O no hydrogen 3.260 N/A SER 191.A OG ASP 29.A OD1 no hydrogen 3.276 N/A SER 191.A OG ASP 29.A OD2 no hydrogen 2.537 N/A PHE 193.A N ASP 29.A OD1 no hydrogen 2.892 N/A PHE 194.A N SER 191.A OG no hydrogen 2.941 N/A ARG 195.A N SER 191.A O no hydrogen 3.329 N/A ARG 196.A N GLU 192.A O no hydrogen 3.274 N/A ARG 196.A N PHE 193.A O no hydrogen 3.123 N/A HIS 197.A N PHE 194.A O no hydrogen 3.455 N/A HIS 197.A ND1 PHE 193.A O no hydrogen 2.775 N/A HIS 197.A NE2 TYR 21.A OH no hydrogen 2.588 N/A GLU 198.A N THR 225.A O no hydrogen 3.028 N/A VAL 199.A N ASP 246.A OD2 no hydrogen 2.853 N/A SER 203.A N ILE 219.A O no hydrogen 2.955 N/A SER 203.A OG ASP 66.A OD1 no hydrogen 2.536 N/A SER 203.A OG ASP 66.A OD2 no hydrogen 3.477 N/A LEU 204.A N CYS 67.A O no hydrogen 2.913 N/A LEU 205.A N TRP 217.A O no hydrogen 2.853 N/A PHE 206.A N LEU 65.A O no hydrogen 2.770 N/A VAL 207.A N GLY 215.A O no hydrogen 2.896 N/A HIS 208.A N CYS 63.A O no hydrogen 2.990 N/A HIS 208.A NE2 PHE 166.A O no hydrogen 3.071 N/A ASP 209.A N ARG 213.A O no hydrogen 3.028 N/A CYS 211.A N ASP 209.A OD1 no hydrogen 2.995 N/A HIS 212.A N ASP 209.A O no hydrogen 3.006 N/A HIS 212.A ND1 ASP 170.A OD2 no hydrogen 2.756 N/A ARG 213.A N ASP 209.A OD1 no hydrogen 3.167 N/A GLY 215.A N VAL 207.A O no hydrogen 2.825 N/A TRP 217.A N LEU 205.A O no hydrogen 3.112 N/A LEU 218.A N CYS 34.A O no hydrogen 2.798 N/A ILE 219.A N SER 203.A O no hydrogen 2.832 N/A PHE 221.A N GLU 19.A OE2 no hydrogen 3.173 N/A GLY 222.A N ASP 220.A OD1 no hydrogen 3.178 N/A LYS 223.A NZ THR 73.A O no hydrogen 3.061 N/A THR 225.A N GLU 198.A O no hydrogen 3.169 N/A LEU 227.A N ARG 196.A O no hydrogen 2.912 N/A GLN 231.A N PRO 228.A O no hydrogen 3.068 N/A LEU 233.A N ARG 195.A O no hydrogen 3.301 N/A ASP 234.A N GLU 245.A OE2 no hydrogen 3.084 N/A HIS 235.A N GLU 245.A OE1 no hydrogen 2.977 N/A HIS 235.A ND1 ASP 246.A OD1 no hydrogen 2.592 N/A HIS 235.A NE2 PHE 194.A O no hydrogen 2.627 N/A ARG 236.A N ASP 234.A OD1 no hydrogen 2.945 N/A ARG 236.A NE ASP 253.A OD2 no hydrogen 2.788 N/A ARG 236.A NH1 GLU 189.A OE2 no hydrogen 3.563 N/A ARG 236.A NH2 GLU 189.A OE2 no hydrogen 2.845 N/A ARG 236.A NH2 ASP 253.A OD1 no hydrogen 3.085 N/A ARG 236.A NH2 ASP 253.A OD2 no hydrogen 3.570 N/A ARG 237.A N ASP 234.A OD1 no hydrogen 3.003 N/A TRP 239.A NE1 GLU 76.A OE2 no hydrogen 2.994 N/A GLY 242.A N GLU 76.A OE2 no hydrogen 3.113 N/A ASN 243.A N GLU 240.A O no hydrogen 2.843 N/A ASN 243.A ND2 PRO 238.A O no hydrogen 3.082 N/A ARG 244.A N GLU 76.A OE2 no hydrogen 3.099 N/A ARG 244.A NE GLU 198.A OE1 no hydrogen 2.768 N/A ARG 244.A NH2 GLU 198.A OE1 no hydrogen 2.875 N/A GLU 245.A N ASN 243.A OD1 no hydrogen 2.973 N/A TYR 248.A N ASP 246.A OD1 no hydrogen 3.115 N/A LEU 249.A N HIS 235.A O no hydrogen 2.821 N/A LEU 250.A N HIS 235.A O no hydrogen 3.395 N/A GLY 251.A N GLY 247.A O no hydrogen 3.012 N/A LEU 252.A N TYR 248.A O no hydrogen 3.007 N/A ASP 253.A N LEU 249.A O no hydrogen 2.837 N/A ASN 254.A N LEU 250.A O no hydrogen 3.024 N/A ASN 254.A ND2 LEU 132.A O no hydrogen 2.672 N/A LEU 255.A N GLY 251.A O no hydrogen 2.801 N/A ILE 256.A N LEU 252.A O no hydrogen 2.900 N/A GLY 257.A N ASP 253.A O no hydrogen 3.064 N/A ILE 258.A N ASN 254.A O no hydrogen 3.004 N/A LEU 259.A N LEU 255.A O no hydrogen 3.042 N/A ALA 260.A N ILE 256.A O no hydrogen 2.830 N/A SER 261.A N GLY 257.A O no hydrogen 2.963 N/A SER 261.A OG GLY 257.A O no hydrogen 3.152 N/A LEU 262.A N ILE 258.A O no hydrogen 2.831 N/A ALA 263.A N LEU 259.A O no hydrogen 2.945 N/A GLU 264.A N SER 261.A O no hydrogen 3.128 N/A ARG 265.A N LEU 262.A O no hydrogen 3.099 N/A ARG 265.A NH1 GLU 157.A OE2 no hydrogen 2.686 N/A ARG 265.A NH2 GLU 157.A OE1 no hydrogen 3.222 N/A