Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4a4w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N ASN 3.A OD1 no hydrogen 2.969 N/A ALA 7.A N ASN 3.A O no hydrogen 2.713 N/A ASP 8.A N PRO 4.A O no hydrogen 3.007 N/A LEU 9.A N GLU 5.A O no hydrogen 3.143 N/A ARG 10.A N SER 6.A O no hydrogen 2.948 N/A ARG 10.A NH1 GLN 206.A OE1 no hydrogen 2.845 N/A ARG 10.A NH2 GLN 206.A OE1 no hydrogen 3.112 N/A ALA 11.A N ALA 7.A O no hydrogen 2.915 N/A LEU 12.A N ASP 8.A O no hydrogen 2.906 N/A ALA 13.A N LEU 9.A O no hydrogen 2.924 N/A LYS 14.A N ARG 10.A O no hydrogen 2.847 N/A HIS 15.A N ALA 11.A O no hydrogen 2.952 N/A HIS 15.A NE2 SER 88.A O no hydrogen 2.674 N/A LEU 16.A N LEU 12.A O no hydrogen 2.920 N/A TYR 17.A N ALA 13.A O no hydrogen 2.933 N/A ASP 18.A N LYS 14.A O no hydrogen 2.943 N/A SER 19.A N HIS 15.A O no hydrogen 2.919 N/A SER 19.A OG.A HIS 15.A O no hydrogen 2.884 N/A SER 19.A OG.B SER 88.A OG no hydrogen 2.412 N/A TYR 20.A N LEU 16.A O no hydrogen 2.787 N/A TYR 20.A OH ASP 167.A OD1 no hydrogen 2.658 N/A ILE 21.A N TYR 17.A O no hydrogen 2.898 N/A LYS 22.A N ASP 18.A O no hydrogen 3.097 N/A LYS 22.A NZ ASP 18.A OD2 no hydrogen 2.859 N/A SER 23.A N SER 19.A O no hydrogen 2.940 N/A SER 23.A N TYR 20.A O no hydrogen 3.066 N/A SER 23.A OG SER 19.A O no hydrogen 2.745 N/A SER 23.A OG GLU 84.A OE2 no hydrogen 3.555 N/A PHE 24.A N TYR 20.A O no hydrogen 2.942 N/A LYS 28.A N ASP 167.A OD1 no hydrogen 2.770 N/A LYS 28.A NZ LEU 165.A O no hydrogen 2.880 N/A ALA 29.A N ASP 167.A OD2 no hydrogen 2.943 N/A LYS 30.A N THR 27.A OG1 no hydrogen 3.094 N/A ALA 31.A N THR 27.A O no hydrogen 2.897 N/A ARG 32.A N LYS 28.A O no hydrogen 2.790 N/A ARG 32.A NH1 SER 118.A O no hydrogen 2.914 N/A ARG 32.A NH1 MET 120.A O no hydrogen 2.798 N/A ARG 32.A NH2 MET 120.A O no hydrogen 3.356 N/A ALA 33.A N ALA 29.A O no hydrogen 3.120 N/A ILE 34.A N LYS 30.A O no hydrogen 2.904 N/A LEU 35.A N ALA 31.A O no hydrogen 2.828 N/A THR 36.A N ARG 32.A O no hydrogen 2.785 N/A THR 36.A OG1 ARG 32.A O no hydrogen 2.672 N/A LYS 38.A N ALA 33.A O no hydrogen 3.163 N/A THR 39.A OG1 ALA 33.A O no hydrogen 3.494 N/A LYS 42.A NZ.A ASP 41.A OD2 no hydrogen 3.089 N/A PHE 45.A N GLN 131.A O no hydrogen 2.967 N/A ILE 47.A N PHE 133.A O no hydrogen 2.758 N/A TYR 48.A N SER 52.A OG no hydrogen 2.863 N/A ASP 49.A N SER 52.A OG no hydrogen 2.866 N/A SER 52.A N ASP 49.A OD1.A no hydrogen 2.657 N/A SER 52.A OG ASP 49.A O no hydrogen 2.926 N/A SER 52.A OG ASP 49.A OD1.A no hydrogen 2.695 N/A LEU 53.A N ASP 49.A O no hydrogen 2.829 N/A MET 54.A N MET 50.A O no hydrogen 2.744 N/A MET 55.A N ASN 51.A O no hydrogen 2.728 N/A GLY 56.A N LEU 53.A O no hydrogen 2.851 N/A LYS 59.A N GLY 56.A O no hydrogen 2.701 N/A LYS 61.A NZ GLN 69.A OE1 no hydrogen 2.804 N/A ARG 66.A N GLU 62.A O no hydrogen 3.067 N/A ARG 66.A NH1 LYS 61.A O no hydrogen 3.074 N/A ILE 67.A N VAL 63.A O no hydrogen 3.030 N/A PHE 68.A N ALA 64.A O no hydrogen 2.880 N/A GLN 69.A N ILE 65.A O no hydrogen 2.859 N/A GLN 69.A NE2 SER 250.A O no hydrogen 2.868 N/A GLY 70.A N ARG 66.A O no hydrogen 2.860 N/A CYS 71.A N ILE 67.A O no hydrogen 2.819 N/A GLN 72.A N PHE 68.A O no hydrogen 2.901 N/A PHE 73.A N GLN 69.A O no hydrogen 3.020 N/A ARG 74.A N GLY 70.A O no hydrogen 3.224 N/A ARG 74.A NH1 GLU 77.A OE1 no hydrogen 3.329 N/A ARG 74.A NH1 GLU 81.A OE2 no hydrogen 3.013 N/A ARG 74.A NH2 GLU 81.A OE1 no hydrogen 2.771 N/A ARG 74.A NH2 GLU 81.A OE2 no hydrogen 3.365 N/A SER 75.A N CYS 71.A O no hydrogen 3.158 N/A SER 75.A OG CYS 71.A O no hydrogen 3.130 N/A VAL 76.A N GLN 72.A O no hydrogen 3.068 N/A GLU 77.A N PHE 73.A O no hydrogen 3.178 N/A ALA 78.A N ARG 74.A O no hydrogen 2.722 N/A VAL 79.A N SER 75.A O no hydrogen 2.760 N/A GLN 80.A N VAL 76.A O no hydrogen 3.002 N/A GLU 81.A N GLU 77.A O no hydrogen 2.956 N/A ILE 82.A N ALA 78.A O no hydrogen 2.726 N/A THR 83.A N VAL 79.A O no hydrogen 2.753 N/A THR 83.A OG1 VAL 79.A O no hydrogen 2.851 N/A GLU 84.A N GLN 80.A O no hydrogen 3.045 N/A TYR 85.A N GLU 81.A O no hydrogen 2.932 N/A TYR 85.A OH ALA 171.A O no hydrogen 2.464 N/A ALA 86.A N ILE 82.A O no hydrogen 2.785 N/A LYS 87.A N THR 83.A O no hydrogen 3.270 N/A SER 88.A N TYR 85.A O no hydrogen 2.902 N/A SER 88.A OG SER 19.A OG.B no hydrogen 2.412 N/A SER 88.A OG TYR 85.A O no hydrogen 2.617 N/A ILE 89.A N ALA 86.A O no hydrogen 2.905 N/A PHE 92.A N ILE 89.A O no hydrogen 2.854 N/A ASN 94.A N GLY 91.A O no hydrogen 3.205 N/A LEU 95.A N PHE 92.A O no hydrogen 3.237 N/A ASN 98.A N ASP 96.A OD1 no hydrogen 2.683 N/A ASP 99.A N ASP 96.A OD1 no hydrogen 3.443 N/A GLN 100.A N ASP 96.A O no hydrogen 2.927 N/A GLN 100.A NE2 VAL 93.A O no hydrogen 2.792 N/A GLN 100.A NE2 LEU 95.A O no hydrogen 2.679 N/A VAL 101.A N LEU 97.A O no hydrogen 3.096 N/A THR 102.A N ASN 98.A O no hydrogen 2.899 N/A THR 102.A OG1 ASN 98.A O no hydrogen 3.201 N/A LEU 103.A N ASP 99.A O no hydrogen 2.788 N/A LEU 104.A N GLN 100.A O no hydrogen 3.103 N/A LYS 105.A N VAL 101.A O no hydrogen 2.710 N/A LYS 105.A NZ ILE 258.A O no hydrogen 2.891 N/A LYS 105.A NZ LYS 260.A O no hydrogen 2.561 N/A TYR 106.A N THR 102.A O no hydrogen 3.097 N/A GLY 107.A N LEU 103.A O no hydrogen 2.837 N/A VAL 108.A N LEU 104.A O no hydrogen 2.969 N/A ILE 111.A N GLY 107.A O no hydrogen 3.029 N/A ILE 112.A N VAL 108.A O no hydrogen 2.819 N/A TYR 113.A N HIS 109.A O no hydrogen 3.060 N/A THR 114.A N GLU 110.A O no hydrogen 3.102 N/A THR 114.A OG1 GLU 110.A O no hydrogen 2.958 N/A MET 115.A N ILE 111.A O no hydrogen 2.819 N/A LEU 116.A N ILE 112.A O no hydrogen 2.723 N/A ALA 117.A N TYR 113.A O no hydrogen 3.143 N/A ALA 117.A N THR 114.A O no hydrogen 3.235 N/A SER 118.A N MET 115.A O no hydrogen 2.902 N/A LEU 119.A N LEU 116.A O no hydrogen 2.925 N/A MET 120.A N ALA 117.A O no hydrogen 3.050 N/A ASN 121.A N GLY 124.A O no hydrogen 3.103 N/A ASP 123.A N ASN 121.A OD1 no hydrogen 2.830 N/A GLY 124.A N ASN 121.A O no hydrogen 3.407 N/A GLY 124.A N ASN 121.A OD1 no hydrogen 3.147 N/A VAL 125.A N MET 134.A O no hydrogen 2.894 N/A LEU 126.A N LEU 119.A O no hydrogen 2.892 N/A ILE 127.A N GLY 132.A O no hydrogen 2.859 N/A SER 128.A OG GLN 131.A OE1 no hydrogen 3.243 N/A GLY 130.A N ILE 127.A O no hydrogen 3.033 N/A GLN 131.A N SER 128.A O no hydrogen 2.880 N/A GLY 132.A N ILE 127.A O no hydrogen 3.047 N/A PHE 133.A N PHE 45.A O no hydrogen 2.892 N/A MET 134.A N VAL 125.A O no hydrogen 2.855 N/A THR 135.A N ILE 47.A O no hydrogen 3.023 N/A ARG 136.A N ASP 123.A O no hydrogen 2.745 N/A ARG 136.A NE GLU 151.A OE1 no hydrogen 3.213 N/A ARG 136.A NE GLU 151.A OE2 no hydrogen 2.856 N/A ARG 136.A NH1 LYS 122.A O no hydrogen 3.038 N/A ARG 136.A NH2 GLU 151.A OE2 no hydrogen 2.622 N/A PHE 138.A N THR 135.A OG1 no hydrogen 3.223 N/A LEU 139.A N THR 135.A O no hydrogen 3.167 N/A LYS 140.A N ARG 136.A O no hydrogen 2.860 N/A LYS 140.A NZ GLU 137.A OE2.A no hydrogen 2.908 N/A SER 141.A N GLU 137.A O no hydrogen 2.943 N/A SER 141.A N PHE 138.A O no hydrogen 3.260 N/A SER 141.A OG PHE 138.A O no hydrogen 2.725 N/A LEU 142.A N LEU 139.A O no hydrogen 3.221 N/A ARG 143.A NE GLU 62.A OE1 no hydrogen 3.148 N/A ARG 143.A NE GLU 62.A OE2 no hydrogen 2.770 N/A ARG 143.A NH1 LYS 144.A O no hydrogen 3.041 N/A ARG 143.A NH1 GLU 246.A OE2 no hydrogen 2.817 N/A ARG 143.A NH2 GLU 62.A OE1 no hydrogen 2.929 N/A ARG 143.A NH2 GLU 246.A OE1 no hydrogen 2.780 N/A PHE 146.A N ARG 143.A O no hydrogen 2.806 N/A GLY 147.A N ARG 143.A O no hydrogen 3.227 N/A PHE 149.A N PHE 146.A O no hydrogen 3.227 N/A LYS 153.A NZ PHE 149.A O no hydrogen 2.550 N/A LYS 153.A NZ HIS 235.A ND1 no hydrogen 3.072 N/A PHE 154.A N MET 150.A O no hydrogen 3.038 N/A GLU 155.A N GLU 151.A O no hydrogen 2.974 N/A PHE 156.A N PRO 152.A O no hydrogen 3.089 N/A ALA 157.A N LYS 153.A O no hydrogen 2.827 N/A VAL 158.A N PHE 154.A O no hydrogen 2.956 N/A LYS 159.A NZ.B GLU 155.A O no hydrogen 2.741 N/A PHE 160.A N PHE 156.A O no hydrogen 2.754 N/A ASN 161.A N ALA 157.A O no hydrogen 2.685 N/A ASN 161.A ND2 ALA 117.A O no hydrogen 2.963 N/A ALA 162.A N LYS 159.A O no hydrogen 3.200 N/A LEU 163.A N PHE 160.A O no hydrogen 3.020 N/A GLU 164.A N ASN 161.A O no hydrogen 2.915 N/A ASP 166.A N ASP 169.A OD2 no hydrogen 2.832 N/A SER 168.A OG ASP 166.A OD1 no hydrogen 2.672 N/A ASP 169.A N ASP 166.A OD1 no hydrogen 3.065 N/A LEU 170.A N ASP 166.A O no hydrogen 2.964 N/A ALA 171.A N ASP 167.A O no hydrogen 2.825 N/A PHE 173.A N ASP 169.A O no hydrogen 3.103 N/A ILE 174.A N LEU 170.A O no hydrogen 2.855 N/A ALA 175.A N ALA 171.A O no hydrogen 3.317 N/A VAL 176.A N ILE 172.A O no hydrogen 2.879 N/A ILE 177.A N PHE 173.A O no hydrogen 2.947 N/A ILE 178.A N ILE 174.A O no hydrogen 3.058 N/A LEU 179.A N ALA 175.A O no hydrogen 3.160 N/A SER 180.A OG ILE 177.A O no hydrogen 2.543 N/A ARG 183.A N SER 180.A O no hydrogen 3.420 N/A ARG 183.A NH1 GLU 110.A OE1 no hydrogen 3.455 N/A ARG 183.A NH1 GLU 110.A OE2 no hydrogen 2.938 N/A ARG 183.A NH1 TYR 263.A OH.A no hydrogen 3.154 N/A ARG 183.A NH2 GLU 110.A OE1 no hydrogen 2.726 N/A ARG 183.A NH2 ILE 177.A O no hydrogen 3.297 N/A LEU 187.A N ASP 99.A OD1 no hydrogen 2.719 N/A ASN 188.A N ASP 99.A OD2 no hydrogen 2.864 N/A LYS 190.A NZ ASP 194.A OD1 no hydrogen 3.052 N/A LYS 190.A NZ ASP 194.A OD2 no hydrogen 2.588 N/A GLU 193.A N VAL 189.A O no hydrogen 2.952 N/A ASP 194.A N LYS 190.A O no hydrogen 2.873 N/A ILE 195.A N PRO 191.A O no hydrogen 3.279 N/A GLN 196.A N ILE 192.A O no hydrogen 2.864 N/A GLN 196.A NE2 VAL 176.A O no hydrogen 2.877 N/A ASP 197.A N GLU 193.A O no hydrogen 2.884 N/A ASN 198.A N ASP 194.A O no hydrogen 3.322 N/A LEU 199.A N ILE 195.A O no hydrogen 2.882 N/A LEU 200.A N GLN 196.A O no hydrogen 2.631 N/A GLN 201.A N ASP 197.A O no hydrogen 2.929 N/A GLN 201.A NE2 ASP 197.A OD1 no hydrogen 2.828 N/A ALA 202.A N ASN 198.A O no hydrogen 2.880 N/A LEU 203.A N LEU 199.A O no hydrogen 2.702 N/A GLU 204.A N LEU 200.A O no hydrogen 2.849 N/A LEU 205.A N GLN 201.A O no hydrogen 3.120 N/A GLN 206.A N ALA 202.A O no hydrogen 2.937 N/A GLN 206.A NE2 ASP 169.A OD1 no hydrogen 2.918 N/A LEU 207.A N LEU 203.A O no hydrogen 2.880 N/A LYS 208.A N GLU 204.A O no hydrogen 2.996 N/A LEU 209.A N LEU 205.A O no hydrogen 2.857 N/A ASN 210.A N GLN 206.A O no hydrogen 2.738 N/A ASN 210.A ND2 ASP 166.A OD2 no hydrogen 2.793 N/A ASN 210.A ND2 ASP 169.A OD1 no hydrogen 2.968 N/A ASN 210.A ND2 ASP 169.A OD2 no hydrogen 3.302 N/A HIS 211.A N LEU 207.A O no hydrogen 2.762 N/A HIS 211.A NE2 ASP 169.A OD2 no hydrogen 2.600 N/A SER 214.A N HIS 211.A O no hydrogen 2.961 N/A LEU 217.A N SER 214.A O no hydrogen 3.360 N/A LYS 220.A N GLN 216.A O no hydrogen 2.926 N/A LYS 220.A NZ SER 215.A O no hydrogen 3.345 N/A LEU 221.A N LEU 217.A O no hydrogen 2.697 N/A LEU 222.A N PHE 218.A O no hydrogen 2.903 N/A GLN 223.A N ALA 219.A O no hydrogen 2.991 N/A LYS 224.A N LEU 221.A O no hydrogen 2.971 N/A MET 225.A N LEU 222.A O no hydrogen 3.175 N/A THR 226.A N GLN 223.A O no hydrogen 3.259 N/A THR 226.A OG1 GLN 223.A O no hydrogen 3.297 N/A LEU 228.A N LYS 224.A O no hydrogen 2.998 N/A ARG 229.A N MET 225.A O no hydrogen 3.124 N/A ARG 229.A NE GLU 110.A OE2 no hydrogen 3.227 N/A ARG 229.A NH1 ASP 182.A OD2 no hydrogen 3.143 N/A GLN 230.A N THR 226.A O no hydrogen 3.217 N/A GLN 230.A NE2.B GLU 234.A OE2 no hydrogen 2.992 N/A ILE 231.A N ASP 227.A O no hydrogen 3.052 N/A VAL 232.A N LEU 228.A O no hydrogen 3.018 N/A THR 233.A N ARG 229.A O no hydrogen 3.019 N/A THR 233.A OG1 ARG 229.A O no hydrogen 3.159 N/A GLU 234.A N GLN 230.A O no hydrogen 3.045 N/A HIS 235.A N ILE 231.A O no hydrogen 2.967 N/A VAL 236.A N VAL 232.A O no hydrogen 3.014 N/A GLN 237.A N THR 233.A O no hydrogen 3.180 N/A LEU 238.A N GLU 234.A O no hydrogen 2.907 N/A LEU 239.A N HIS 235.A O no hydrogen 2.857 N/A GLN 240.A N VAL 236.A O no hydrogen 2.978 N/A VAL 241.A N GLN 237.A O no hydrogen 3.103 N/A ILE 242.A N LEU 238.A O no hydrogen 3.010 N/A LYS 243.A N LEU 239.A O no hydrogen 2.941 N/A LYS 244.A N GLN 240.A O no hydrogen 3.358 N/A LYS 244.A N VAL 241.A O no hydrogen 3.140 N/A THR 245.A N VAL 241.A O no hydrogen 2.904 N/A THR 245.A OG1 GLU 246.A OE2 no hydrogen 3.252 N/A GLU 246.A N ILE 242.A O no hydrogen 2.669 N/A ASP 248.A N ASP 248.A OD1 no hydrogen 2.646 N/A MET 249.A N GLU 246.A O no hydrogen 2.958 N/A LEU 254.A N HIS 252.A ND1 no hydrogen 3.124 N/A GLN 256.A N HIS 252.A O no hydrogen 2.812 N/A GLU 257.A N PRO 253.A O no hydrogen 2.628 N/A ILE 258.A N LEU 254.A O no hydrogen 3.015 N/A TYR 259.A N LEU 255.A O no hydrogen 2.914 N/A TYR 259.A OH HIS 109.A NE2 no hydrogen 2.479 N/A LYS 260.A N GLN 256.A O no hydrogen 3.030 N/A LEU 262.A N TYR 259.A O no hydrogen 3.273 N/A TYR 263.A OH.B GLU 110.A OE2 no hydrogen 3.007 N/A