Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ww8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 3.A N ASP 8.A O no hydrogen 3.008 N/A THR 3.A OG1 PHE 5.A O no hydrogen 2.552 N/A PHE 5.A N THR 3.A OG1 no hydrogen 3.250 N/A GLY 9.A N GLY 6.A O no hydrogen 3.454 N/A SER 12.A N.A GLY 9.A O no hydrogen 2.838 N/A SER 12.A N.B GLY 9.A O no hydrogen 2.900 N/A SER 12.A OG.A PRO 7.A O no hydrogen 3.266 N/A SER 12.A OG.B PRO 7.A O no hydrogen 3.213 N/A SER 12.A OG.B GLY 9.A O no hydrogen 2.816 N/A TRP 13.A N GLU 10.A O no hydrogen 3.374 N/A TRP 13.A NE1 THR 3.A O no hydrogen 2.919 N/A LYS 15.A N.A SER 12.A O.A no hydrogen 3.242 N/A LYS 15.A N.A SER 12.A O.B no hydrogen 2.929 N/A LYS 15.A N.B SER 12.A O.A no hydrogen 3.242 N/A LYS 15.A N.B SER 12.A O.B no hydrogen 2.928 N/A TYR 17.A N TRP 13.A O no hydrogen 2.871 N/A CYS 20.A N TYR 17.A O no hydrogen 2.810 N/A CYS 20.A SG TYR 17.A O no hydrogen 3.488 N/A GLY 21.A N PRO 18.A O no hydrogen 3.059 N/A GLY 22.A N SER 19.A O no hydrogen 2.936 N/A GLN 25.A NE2 LEU 23.A O no hydrogen 3.111 N/A GLN 25.A NE2 CYS 200.A O no hydrogen 3.161 N/A SER 26.A N SER 194.A OG no hydrogen 2.927 N/A SER 26.A OG TYR 191.A OH no hydrogen 2.847 N/A SER 26.A OG SER 194.A O no hydrogen 3.475 N/A LEU 30.A N THR 104.A O no hydrogen 2.808 N/A ILE 34.A N HIS 31.A O no hydrogen 3.061 N/A LEU 35.A N SER 32.A O no hydrogen 3.065 N/A GLN 36.A N VAL 255.A O no hydrogen 2.892 N/A ASP 38.A N THR 257.A O no hydrogen 2.966 N/A SER 40.A N ASP 38.A OD1 no hydrogen 2.842 N/A LEU 41.A N ASP 38.A O no hydrogen 3.061 N/A GLU 45.A N GLN 77.A O no hydrogen 2.864 N/A GLN 47.A N HIS 75.A O no hydrogen 2.863 N/A TYR 49.A OH HIS 118.A NE2 no hydrogen 2.726 N/A LEU 51.A N PHE 175.A O no hydrogen 3.164 N/A ASN 54.A N SER 52.A OG no hydrogen 3.212 N/A LYS 55.A N SER 52.A O no hydrogen 3.080 N/A PHE 57.A N VAL 172.A O no hydrogen 2.783 N/A LEU 59.A N ALA 170.A O no hydrogen 2.782 N/A THR 60.A N.A LYS 67.A O no hydrogen 2.780 N/A THR 60.A N.B LYS 67.A O no hydrogen 2.796 N/A ASN 61.A N GLN 168.A O no hydrogen 3.099 N/A ASN 61.A ND2 VAL 163.A O no hydrogen 2.940 N/A ASN 61.A ND2 TYR 228.A O no hydrogen 3.047 N/A ASN 62.A N SER 65.A O no hydrogen 3.277 N/A GLY 63.A N ASN 61.A OD1 no hydrogen 2.753 N/A HIS 64.A N ASN 62.A OD1 no hydrogen 2.810 N/A SER 65.A N ASN 62.A OD1 no hydrogen 2.923 N/A SER 65.A OG VAL 66.A O no hydrogen 3.240 N/A SER 65.A OG LEU 90.A O no hydrogen 2.662 N/A LYS 67.A N THR 60.A O.A no hydrogen 2.857 N/A LYS 67.A N THR 60.A O.B no hydrogen 2.916 N/A LEU 68.A N LEU 88.A O no hydrogen 2.812 N/A ASN 69.A N LEU 58.A O no hydrogen 2.833 N/A LEU 70.A N THR 86.A O no hydrogen 3.022 N/A MET 74.A N PRO 71.A O no hydrogen 3.042 N/A HIS 75.A N GLN 47.A O no hydrogen 2.894 N/A HIS 75.A ND1 ASP 73.A O no hydrogen 3.089 N/A ILE 76.A N TYR 83.A O no hydrogen 2.871 N/A GLN 77.A N GLU 45.A O no hydrogen 2.870 N/A ARG 82.A N ASP 122.A OD2 no hydrogen 2.746 N/A TYR 83.A OH GLU 135.A O no hydrogen 2.920 N/A SER 84.A N TYR 119.A O no hydrogen 2.743 N/A SER 84.A OG SER 72.A O no hydrogen 3.366 N/A SER 84.A OG SER 121.A OG no hydrogen 2.709 N/A ALA 85.A N MET 74.A O no hydrogen 2.768 N/A THR 86.A N VAL 117.A O no hydrogen 2.860 N/A GLN 87.A N VAL 117.A O no hydrogen 3.485 N/A LEU 88.A N LEU 68.A O no hydrogen 2.944 N/A HIS 89.A N HIS 115.A O no hydrogen 3.006 N/A HIS 89.A ND1 GLN 87.A OE1 no hydrogen 2.699 N/A LEU 90.A N SER 65.A OG no hydrogen 3.185 N/A HIS 91.A N GLU 113.A O no hydrogen 2.875 N/A HIS 91.A ND1 ASN 243.A O no hydrogen 2.763 N/A TRP 92.A N ASN 243.A OD1 no hydrogen 2.780 N/A TRP 92.A NE1 MET 240.A O no hydrogen 2.862 N/A ASN 94.A N ASP 97.A O no hydrogen 3.296 N/A ASN 94.A ND2 ASN 242.A OD1 no hydrogen 2.880 N/A ASN 96.A N ASN 94.A OD1 no hydrogen 2.840 N/A ASP 97.A N ASN 94.A O no hydrogen 2.990 N/A HIS 99.A N ASP 97.A O no hydrogen 2.784 N/A GLY 100.A N ALA 111.A O no hydrogen 3.003 N/A SER 101.A N PHE 110.A O no hydrogen 2.982 N/A SER 101.A OG HIS 103.A O no hydrogen 2.704 N/A SER 101.A OG PHE 110.A O no hydrogen 3.465 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 2.844 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 2.877 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.859 N/A HIS 103.A NE2 TYR 191.A OH no hydrogen 2.667 N/A THR 104.A N ILE 28.A O no hydrogen 3.424 N/A THR 104.A OG1 ASP 29.A OD1 no hydrogen 2.643 N/A VAL 105.A N GLN 108.A O no hydrogen 2.967 N/A SER 106.A N LEU 30.A O no hydrogen 2.815 N/A GLY 107.A N ASP 29.A OD1 no hydrogen 2.752 N/A GLN 108.A N VAL 105.A O no hydrogen 2.969 N/A GLN 108.A NE2 SER 106.A O no hydrogen 3.150 N/A PHE 110.A N SER 101.A OG no hydrogen 2.870 N/A ALA 112.A N ILE 144.A O no hydrogen 3.186 N/A GLU 113.A N HIS 91.A O no hydrogen 2.935 N/A LEU 114.A N VAL 142.A O no hydrogen 2.911 N/A HIS 115.A N HIS 89.A O no hydrogen 2.889 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.682 N/A ILE 116.A N LEU 140.A O no hydrogen 2.867 N/A VAL 117.A N GLN 87.A O no hydrogen 2.773 N/A HIS 118.A N ALA 138.A O no hydrogen 2.789 N/A HIS 118.A ND1 ILE 116.A O no hydrogen 3.071 N/A HIS 118.A NE2 TYR 49.A OH no hydrogen 2.726 N/A TYR 119.A N SER 84.A O no hydrogen 2.816 N/A ASN 120.A N GLY 136.A O no hydrogen 2.820 N/A ASN 120.A ND2 SER 81.A OG no hydrogen 3.154 N/A ASN 120.A ND2 GLU 135.A O no hydrogen 3.262 N/A SER 121.A N ARG 82.A O no hydrogen 3.241 N/A SER 121.A OG ARG 82.A O no hydrogen 3.390 N/A SER 121.A OG SER 84.A OG no hydrogen 2.709 N/A LEU 123.A N ASN 120.A OD1 no hydrogen 3.081 N/A TYR 124.A N ASN 120.A O no hydrogen 2.962 N/A TYR 124.A OH SER 134.A O no hydrogen 2.779 N/A THR 129.A N ASP 126.A OD2 no hydrogen 2.859 N/A THR 129.A OG1 ASP 126.A OD2 no hydrogen 2.597 N/A ALA 130.A N ASP 126.A O no hydrogen 2.989 N/A SER 131.A N SER 128.A O no hydrogen 3.334 N/A SER 131.A OG SER 128.A O no hydrogen 2.861 N/A LYS 133.A N ALA 130.A O no hydrogen 3.058 N/A LYS 133.A NZ THR 129.A O no hydrogen 2.836 N/A LYS 133.A NZ ASN 132.A OD1 no hydrogen 2.954 N/A LEU 137.A N THR 203.A O no hydrogen 3.059 N/A ALA 138.A N HIS 118.A O no hydrogen 2.954 N/A VAL 139.A N LEU 205.A O no hydrogen 3.109 N/A LEU 140.A N ILE 116.A O no hydrogen 2.947 N/A ALA 141.A N THR 207.A O no hydrogen 2.747 N/A VAL 142.A N LEU 114.A O no hydrogen 2.879 N/A ILE 144.A N ALA 112.A O no hydrogen 2.916 N/A GLU 145.A N VAL 213.A O no hydrogen 2.884 N/A GLY 147.A N ILE 215.A O no hydrogen 2.772 N/A SER 148.A N.A GLN 214.A OE1.A no hydrogen 2.951 N/A SER 148.A N.B GLN 214.A OE1.A no hydrogen 3.001 N/A SER 148.A OG.A GLN 214.A OE1.A no hydrogen 3.352 N/A SER 148.A OG.B GLN 214.A OE1.A no hydrogen 3.515 N/A ASN 150.A N GLN 219.A OE1 no hydrogen 2.910 N/A ASN 150.A ND2 GLN 214.A O.A no hydrogen 2.920 N/A ASN 150.A ND2 GLN 214.A O.B no hydrogen 3.055 N/A SER 152.A OG GLU 179.A OE1 no hydrogen 2.777 N/A TYR 153.A N ASN 150.A OD1 no hydrogen 3.089 N/A TYR 153.A OH LEU 180.A O no hydrogen 2.743 N/A ASP 154.A N ASN 150.A O no hydrogen 3.111 N/A LYS 155.A N SER 152.A O no hydrogen 3.014 N/A LYS 155.A NZ GLU 179.A OE1 no hydrogen 2.793 N/A LYS 155.A NZ GLU 179.A OE2 no hydrogen 3.538 N/A ILE 156.A N TYR 153.A O no hydrogen 2.889 N/A PHE 157.A N TYR 153.A O no hydrogen 2.895 N/A SER 158.A N ASP 154.A O no hydrogen 2.846 N/A SER 158.A OG ASP 154.A O no hydrogen 3.024 N/A HIS 159.A N ILE 156.A O no hydrogen 2.949 N/A LEU 160.A N PHE 157.A O no hydrogen 3.037 N/A HIS 162.A N HIS 159.A O no hydrogen 3.019 N/A VAL 163.A N LEU 160.A O no hydrogen 2.932 N/A LYS 164.A NZ ALA 226.A O no hydrogen 3.080 N/A TYR 165.A N GLN 168.A OE1 no hydrogen 3.001 N/A LYS 166.A N THR 230.A O no hydrogen 2.957 N/A GLY 167.A N ASN 61.A O no hydrogen 2.890 N/A GLN 168.A N TYR 165.A O no hydrogen 3.088 N/A ALA 170.A N LEU 59.A O no hydrogen 2.882 N/A VAL 172.A N PHE 57.A O no hydrogen 2.787 N/A GLY 174.A N LYS 55.A O no hydrogen 2.999 N/A ILE 177.A N TYR 49.A O no hydrogen 2.897 N/A GLU 178.A N ASN 176.A OD1 no hydrogen 3.003 N/A GLU 179.A N ASN 176.A O no hydrogen 2.822 N/A LEU 180.A N ILE 177.A O no hydrogen 2.926 N/A LEU 181.A N GLU 178.A O no hydrogen 3.083 N/A ARG 184.A NE GLU 187.A OE1 no hydrogen 3.389 N/A ARG 184.A NE GLU 187.A OE2 no hydrogen 3.007 N/A ARG 184.A NH2 GLU 187.A OE1 no hydrogen 3.407 N/A GLU 187.A N ARG 184.A O no hydrogen 2.855 N/A TYR 188.A N SER 258.A OG no hydrogen 2.868 N/A TYR 188.A OH THR 42.A O no hydrogen 2.676 N/A TYR 189.A N VAL 208.A O no hydrogen 2.815 N/A ARG 190.A N TYR 256.A O no hydrogen 2.758 N/A ARG 190.A NE TRP 206.A O no hydrogen 3.297 N/A ARG 190.A NE THR 207.A OG1 no hydrogen 3.054 N/A ARG 190.A NH2 THR 207.A OG1 no hydrogen 2.832 N/A TYR 191.A N TRP 206.A O no hydrogen 3.176 N/A TYR 191.A OH SER 26.A OG no hydrogen 2.847 N/A TYR 191.A OH HIS 103.A NE2 no hydrogen 2.667 N/A GLY 193.A N VAL 204.A O no hydrogen 2.786 N/A SER 194.A N SER 26.A OG no hydrogen 2.980 N/A SER 194.A OG LEU 195.A O no hydrogen 2.749 N/A LEU 195.A N ASN 201.A O.A no hydrogen 3.019 N/A LEU 195.A N ASN 201.A O.B no hydrogen 3.035 N/A THR 196.A OG1 GLU 102.A OE1 no hydrogen 2.562 N/A THR 196.A OG1 GLU 102.A OE2 no hydrogen 3.487 N/A THR 197.A OG1 PRO 198.A O no hydrogen 3.009 N/A CYS 200.A N THR 197.A O no hydrogen 2.794 N/A ASN 201.A ND2.A SER 131.A O no hydrogen 2.803 N/A THR 203.A OG1 SER 131.A O no hydrogen 2.728 N/A VAL 204.A N GLY 193.A O no hydrogen 3.036 N/A LEU 205.A N LEU 137.A O no hydrogen 2.955 N/A TRP 206.A N TYR 191.A O no hydrogen 2.863 N/A TRP 206.A NE1 SER 194.A O no hydrogen 2.953 N/A THR 207.A N VAL 139.A O no hydrogen 3.024 N/A VAL 208.A N TYR 189.A O no hydrogen 2.855 N/A PHE 209.A N ALA 141.A O no hydrogen 2.979 N/A ARG 210.A N.A GLU 187.A O no hydrogen 2.910 N/A ARG 210.A N.B GLU 187.A O no hydrogen 2.915 N/A ARG 210.A NH1.A ASN 211.A OD1 no hydrogen 2.905 N/A ARG 210.A NH1.B GLN 261.A O no hydrogen 2.992 N/A ARG 210.A NH2.B GLN 261.A O no hydrogen 2.839 N/A ASN 211.A ND2 GLU 183.A O no hydrogen 2.990 N/A ASN 211.A ND2 GLU 187.A OE1 no hydrogen 3.113 N/A VAL 213.A N LEU 143.A O no hydrogen 2.913 N/A GLN 214.A NE2.A GLU 145.A OE2 no hydrogen 3.483 N/A GLN 214.A NE2.B GLU 145.A OE2 no hydrogen 2.859 N/A GLN 214.A NE2.B PRO 212.A O no hydrogen 3.438 N/A ILE 215.A N GLU 145.A O no hydrogen 2.974 N/A SER 216.A N GLN 219.A OE1 no hydrogen 2.887 N/A SER 216.A OG GLU 218.A OE1 no hydrogen 3.458 N/A SER 216.A OG GLN 219.A OE1 no hydrogen 3.569 N/A GLN 219.A N SER 216.A OG no hydrogen 3.045 N/A GLN 219.A NE2 ASN 150.A O no hydrogen 2.939 N/A GLN 219.A NE2 ASP 154.A OD1 no hydrogen 2.960 N/A LEU 220.A N SER 216.A O no hydrogen 2.897 N/A LEU 221.A N GLN 217.A O no hydrogen 2.967 N/A ALA 222.A N GLU 218.A O no hydrogen 2.927 N/A LEU 223.A N GLN 219.A O no hydrogen 2.986 N/A GLU 224.A N LEU 220.A O no hydrogen 2.993 N/A THR 225.A N ALA 222.A O no hydrogen 3.238 N/A THR 225.A OG1 LEU 221.A O no hydrogen 2.672 N/A ALA 226.A N ALA 222.A O no hydrogen 2.835 N/A TYR 228.A N LYS 164.A O no hydrogen 2.704 N/A CYS 229.A N ARG 238.A O no hydrogen 2.964 N/A CYS 229.A SG ARG 238.A O no hydrogen 3.853 N/A CYS 229.A SG GLU 239.A O no hydrogen 4.029 N/A ASP 234.A N HIS 231.A O no hydrogen 3.036 N/A SER 236.A N ASP 234.A OD1 no hydrogen 2.814 N/A ARG 238.A N THR 230.A OG1 no hydrogen 3.106 N/A MET 240.A N LEU 227.A O no hydrogen 2.796 N/A ASN 242.A N GLY 93.A O no hydrogen 2.941 N/A ASN 243.A N TRP 92.A O no hydrogen 3.095 N/A ASN 243.A ND2 HIS 64.A O no hydrogen 3.009 N/A ASN 243.A ND2 LEU 90.A O no hydrogen 3.649 N/A ARG 245.A N GLU 102.A OE2 no hydrogen 2.793 N/A ARG 245.A NH1 GLN 25.A OE1 no hydrogen 2.835 N/A ARG 245.A NH1 SER 26.A O no hydrogen 2.910 N/A ARG 245.A NH2 CYS 20.A O no hydrogen 3.066 N/A ARG 245.A NH2 GLN 25.A OE1 no hydrogen 3.160 N/A GLN 246.A N GLU 10.A OE1 no hydrogen 2.760 N/A GLN 248.A N PRO 27.A O no hydrogen 2.791 N/A GLN 248.A NE2 GLN 246.A O no hydrogen 2.841 N/A ARG 253.A NH2 ARG 192.A O no hydrogen 2.635 N/A VAL 255.A N ILE 34.A O no hydrogen 2.841 N/A TYR 256.A N ARG 190.A O no hydrogen 2.962 N/A THR 257.A N GLN 36.A O no hydrogen 2.838 N/A THR 257.A OG1 PHE 259.A O no hydrogen 2.870 N/A SER 258.A N TYR 188.A O no hydrogen 2.948 N/A SER 258.A OG ALA 186.A O no hydrogen 2.580 N/A SER 258.A OG TYR 188.A O no hydrogen 3.511 N/A