Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qw3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N ASP 5.A OD2 no hydrogen 3.382 N/A PHE 3.A N ASP 127.A O no hydrogen 2.897 N/A ASP 5.A N SER 2.A OG no hydrogen 2.985 N/A LEU 6.A N SER 2.A O no hydrogen 3.030 N/A LEU 7.A N PHE 3.A O no hydrogen 2.789 N/A ASN 8.A N PHE 4.A O no hydrogen 2.871 N/A GLU 9.A N ASP 5.A O no hydrogen 3.280 N/A ARG 10.A N LEU 6.A O no hydrogen 2.990 N/A ARG 10.A NE ALA 45.A O no hydrogen 2.919 N/A ARG 10.A NH2 ALA 45.A O no hydrogen 2.772 N/A ALA 11.A N LEU 7.A O no hydrogen 2.729 N/A LYS 12.A N GLU 9.A O no hydrogen 3.301 N/A LYS 12.A NZ GLU 9.A OE2 no hydrogen 2.766 N/A ARG 13.A N ARG 10.A O no hydrogen 2.800 N/A SER 14.A N ARG 10.A O no hydrogen 2.875 N/A SER 14.A OG TYR 44.A O no hydrogen 2.707 N/A LEU 16.A N SER 14.A OG no hydrogen 2.972 N/A CYS 17.A N ILE 220.A O no hydrogen 2.784 N/A VAL 18.A N ALA 47.A O no hydrogen 2.896 N/A GLY 19.A N VAL 222.A O no hydrogen 2.957 N/A LEU 20.A N LYS 49.A O no hydrogen 2.865 N/A ARG 23.A N GLU 33.A OE2 no hydrogen 2.990 N/A ALA 24.A N GLU 33.A OE1 no hydrogen 2.899 N/A ALA 29.A N THR 26.A OG1 no hydrogen 3.211 N/A ALA 30.A N THR 26.A O no hydrogen 2.923 N/A VAL 31.A N ALA 27.A O no hydrogen 2.996 N/A GLU 32.A N ALA 28.A O no hydrogen 3.278 N/A GLU 33.A N ALA 29.A O no hydrogen 2.903 N/A CYS 34.A N ALA 30.A O no hydrogen 2.963 N/A CYS 34.A SG ALA 30.A O no hydrogen 3.370 N/A LYS 35.A N VAL 31.A O no hydrogen 2.860 N/A ARG 36.A N GLU 32.A O no hydrogen 2.913 N/A LEU 37.A N GLU 33.A O no hydrogen 3.113 N/A ILE 38.A N CYS 34.A O no hydrogen 2.876 N/A GLU 39.A N LYS 35.A O no hydrogen 2.924 N/A GLN 40.A N ARG 36.A O no hydrogen 3.031 N/A THR 41.A N ILE 38.A O no hydrogen 3.216 N/A THR 41.A OG1 LEU 37.A O no hydrogen 2.678 N/A THR 41.A OG1 TYR 48.A OH no hydrogen 2.776 N/A HIS 42.A N ILE 38.A O no hydrogen 2.943 N/A TYR 44.A N THR 41.A O no hydrogen 2.926 N/A ALA 45.A N HIS 42.A O no hydrogen 3.283 N/A ALA 46.A N LEU 16.A O no hydrogen 2.709 N/A TYR 48.A N PRO 78.A O no hydrogen 3.111 N/A TYR 48.A OH THR 41.A OG1 no hydrogen 2.776 N/A LYS 49.A N VAL 18.A O no hydrogen 2.918 N/A LYS 49.A NZ ASP 82.A OD2 no hydrogen 2.752 N/A ASN 51.A N LEU 20.A O no hydrogen 2.959 N/A ALA 52.A N ASP 82.A O no hydrogen 3.337 N/A PHE 55.A N ASN 51.A O no hydrogen 3.321 N/A GLU 56.A N ALA 52.A O no hydrogen 2.998 N/A PHE 57.A N ALA 53.A O no hydrogen 2.948 N/A PHE 58.A N PHE 55.A O no hydrogen 3.191 N/A GLY 59.A N GLU 56.A O no hydrogen 2.921 N/A GLY 62.A N GLY 59.A O no hydrogen 2.917 N/A ALA 65.A N GLU 61.A O no hydrogen 2.980 N/A LEU 66.A N GLY 62.A O no hydrogen 2.932 N/A SER 67.A N TRP 63.A O.A no hydrogen 2.898 N/A SER 67.A N TRP 63.A O.B no hydrogen 3.092 N/A GLU 68.A N ALA 64.A O no hydrogen 2.935 N/A VAL 69.A N ALA 65.A O no hydrogen 2.888 N/A ILE 70.A N LEU 66.A O no hydrogen 2.979 N/A ARG 71.A N SER 67.A O no hydrogen 3.007 N/A ALA 72.A N GLU 68.A O no hydrogen 3.006 N/A ALA 72.A N VAL 69.A O no hydrogen 3.079 N/A VAL 73.A N ILE 70.A O no hydrogen 3.135 N/A ILE 77.A N PRO 74.A O no hydrogen 3.242 N/A VAL 80.A N TYR 48.A O no hydrogen 2.804 N/A LEU 81.A N ALA 107.A O no hydrogen 2.834 N/A ASP 82.A N PRO 50.A O no hydrogen 3.112 N/A LYS 84.A N THR 109.A OG1 no hydrogen 2.879 N/A LYS 84.A NZ ASP 82.A OD1 no hydrogen 2.784 N/A LYS 84.A NZ ASP 82.A OD2 no hydrogen 3.058 N/A ARG 85.A N THR 109.A O no hydrogen 3.138 N/A ARG 85.A NH1 ALA 83.A O no hydrogen 2.995 N/A ILE 88.A N ASP 87.A OD2 no hydrogen 2.741 N/A ALA 92.A N ILE 88.A O no hydrogen 3.076 N/A ASP 93.A N ALA 89.A O no hydrogen 2.985 N/A ALA 94.A N ASP 90.A O no hydrogen 2.919 N/A TYR 95.A N THR 91.A O no hydrogen 3.090 N/A ALA 96.A N ALA 92.A O no hydrogen 2.971 N/A THR 97.A N ASP 93.A O no hydrogen 2.905 N/A THR 97.A OG1 ASP 93.A O no hydrogen 3.084 N/A THR 97.A OG1 TYR 125.A OH no hydrogen 3.370 N/A SER 98.A N ALA 94.A O no hydrogen 2.920 N/A ALA 99.A N TYR 95.A O no hydrogen 2.979 N/A PHE 100.A N ALA 96.A O no hydrogen 2.837 N/A LYS 101.A N THR 97.A O no hydrogen 2.899 N/A HIS 102.A N THR 97.A O no hydrogen 3.008 N/A LEU 103.A N SER 98.A O no hydrogen 2.826 N/A ALA 105.A N ALA 99.A O no hydrogen 2.896 N/A HIS 106.A N VAL 79.A O no hydrogen 2.930 N/A ILE 108.A N ALA 129.A O no hydrogen 3.076 N/A THR 109.A N LEU 81.A O no hydrogen 3.185 N/A THR 109.A OG1 ASP 82.A OD1 no hydrogen 2.667 N/A ALA 110.A N PHE 131.A O no hydrogen 2.901 N/A SER 111.A N ARG 85.A O no hydrogen 2.968 N/A TYR 113.A N SER 111.A OG no hydrogen 3.217 N/A GLY 115.A N PRO 112.A O no hydrogen 2.902 N/A SER 118.A N.A GLY 115.A O no hydrogen 3.034 N/A SER 118.A N.B GLY 115.A O no hydrogen 3.041 N/A SER 118.A OG.A GLY 115.A O no hydrogen 2.583 N/A SER 118.A OG.B ASP 87.A O no hydrogen 2.797 N/A LEU 119.A N SER 116.A O no hydrogen 2.980 N/A GLN 120.A N SER 116.A O no hydrogen 2.868 N/A PHE 122.A N LEU 119.A O no hydrogen 2.929 N/A MET 123.A N LEU 119.A O no hydrogen 2.980 N/A ARG 124.A N GLN 120.A O no hydrogen 2.855 N/A TYR 125.A N PHE 122.A O no hydrogen 3.422 N/A ASP 127.A N ASP 127.A OD1 no hydrogen 2.663 N/A LYS 128.A N TYR 125.A O no hydrogen 3.066 N/A LYS 128.A NZ PHE 100.A O no hydrogen 3.431 N/A LYS 128.A NZ ALA 105.A O no hydrogen 2.869 N/A ALA 129.A N HIS 106.A O no hydrogen 3.108 N/A VAL 130.A N ASN 171.A O no hydrogen 2.912 N/A PHE 131.A N ILE 108.A O no hydrogen 2.893 N/A VAL 132.A N GLY 173.A O no hydrogen 2.869 N/A LEU 133.A N ALA 110.A O no hydrogen 2.845 N/A CYS 134.A N VAL 175.A O no hydrogen 3.013 N/A CYS 134.A SG TYR 155.A O no hydrogen 3.258 N/A LYS 135.A N VAL 175.A O no hydrogen 3.125 N/A LYS 135.A NZ THR 136.A O no hydrogen 3.235 N/A LYS 135.A NZ SER 141.A OG no hydrogen 3.112 N/A THR 136.A N GLN 145.A OE1 no hydrogen 2.869 N/A SER 137.A OG.A THR 179.A OG1 no hydrogen 3.153 N/A ASN 138.A ND2 THR 136.A OG1 no hydrogen 2.843 N/A SER 141.A N ASN 138.A O no hydrogen 2.985 N/A SER 141.A OG THR 136.A O no hydrogen 3.187 N/A SER 141.A OG GLN 145.A OE1 no hydrogen 2.848 N/A ASN 142.A N LYS 139.A O no hydrogen 3.240 N/A ASP 143.A N GLY 140.A O no hydrogen 2.851 N/A GLN 145.A NE2 THR 136.A OG1 no hydrogen 2.913 N/A CYS 146.A N SER 141.A O no hydrogen 3.241 N/A CYS 146.A SG SER 141.A O no hydrogen 3.729 N/A LEU 147.A N LEU 144.A O no hydrogen 3.118 N/A ARG 148.A NE.A GLY 150.A O no hydrogen 2.641 N/A VAL 149.A N ARG 152.A O no hydrogen 2.659 N/A ARG 152.A N VAL 149.A O no hydrogen 3.138 N/A ARG 152.A NE GLU 160.A OE1 no hydrogen 2.786 N/A ARG 152.A NH2 GLU 160.A OE1 no hydrogen 2.834 N/A TYR 153.A N GLU 156.A OE2 no hydrogen 2.972 N/A LEU 154.A N LEU 147.A O no hydrogen 2.817 N/A TYR 155.A N GLN 145.A O no hydrogen 3.097 N/A ALA 157.A N TYR 153.A O no hydrogen 3.171 N/A VAL 158.A N LEU 154.A O no hydrogen 2.989 N/A ALA 159.A N TYR 155.A O no hydrogen 3.000 N/A GLU 160.A N GLU 156.A O no hydrogen 2.995 N/A ARG 161.A N ALA 157.A O no hydrogen 3.162 N/A ARG 161.A NH1 ALA 157.A O no hydrogen 3.516 N/A ALA 162.A N VAL 158.A O no hydrogen 2.960 N/A GLU 163.A N ALA 159.A O no hydrogen 2.973 N/A GLY 164.A N GLU 160.A O no hydrogen 2.810 N/A TRP 166.A N ARG 161.A O no hydrogen 2.957 N/A ASN 167.A N GLY 164.A O no hydrogen 3.265 N/A ASN 169.A ND2 MET 123.A O no hydrogen 2.798 N/A GLY 170.A N ASN 167.A O no hydrogen 3.112 N/A VAL 172.A N ASN 167.A OD1 no hydrogen 3.036 N/A GLY 173.A N VAL 130.A O no hydrogen 2.829 N/A LEU 174.A N TRP 195.A O no hydrogen 2.962 N/A VAL 175.A N VAL 132.A O no hydrogen 2.835 N/A VAL 176.A N LEU 197.A O no hydrogen 2.985 N/A GLY 177.A N LYS 135.A O no hydrogen 2.787 N/A ALA 178.A N PRO 199.A O no hydrogen 3.258 N/A THR 179.A OG1 SER 137.A OG.A no hydrogen 3.153 N/A ALA 183.A N ASP 180.A OD2 no hydrogen 3.209 N/A LEU 184.A N ASP 180.A O no hydrogen 3.073 N/A ALA 185.A N PRO 181.A O no hydrogen 2.899 N/A ARG 186.A N VAL 182.A O no hydrogen 3.108 N/A ARG 186.A NH1 TYR 155.A OH no hydrogen 3.310 N/A VAL 187.A N ALA 183.A O no hydrogen 2.975 N/A ARG 188.A N LEU 184.A O no hydrogen 3.028 N/A ARG 188.A NE GLY 210.A O no hydrogen 2.675 N/A ARG 188.A NH1 ALA 191.A O no hydrogen 2.823 N/A ARG 188.A NH1 LEU 194.A O no hydrogen 2.762 N/A ARG 188.A NH2 LEU 194.A O no hydrogen 3.086 N/A ARG 188.A NH2 GLY 210.A O no hydrogen 2.848 N/A ALA 189.A N ALA 185.A O no hydrogen 2.996 N/A ARG 190.A N ARG 186.A O no hydrogen 3.120 N/A ARG 190.A NE GLU 156.A OE1 no hydrogen 3.440 N/A ARG 190.A NH1 GLU 160.A OE2 no hydrogen 2.732 N/A ALA 191.A N VAL 187.A O no hydrogen 2.752 N/A THR 193.A N GLU 163.A OE1 no hydrogen 3.044 N/A THR 193.A OG1 GLU 163.A OE1 no hydrogen 3.323 N/A THR 193.A OG1 GLU 163.A OE2 no hydrogen 2.553 N/A PHE 196.A N GLY 217.A O no hydrogen 2.905 N/A LEU 197.A N LEU 174.A O no hydrogen 2.752 N/A VAL 198.A N LEU 219.A O no hydrogen 2.747 N/A SER 202.A OG ALA 178.A O no hydrogen 3.421 N/A LYS 204.A NZ ASP 208.A OD2 no hydrogen 2.686 N/A SER 206.A N SER 202.A O no hydrogen 3.182 N/A SER 206.A OG ALA 178.A O no hydrogen 3.177 N/A SER 206.A OG SER 202.A O no hydrogen 2.543 N/A LEU 207.A N LEU 203.A O no hydrogen 3.068 N/A ASP 208.A N LYS 204.A O no hydrogen 2.934 N/A ALA 209.A N ALA 205.A O no hydrogen 3.058 N/A GLY 210.A N SER 206.A O no hydrogen 2.847 N/A LEU 211.A N LEU 207.A O no hydrogen 2.940 N/A ARG 212.A N SER 216.A O no hydrogen 2.858 N/A ARG 212.A NE ASP 214.A OD1 no hydrogen 3.169 N/A ARG 212.A NH1 THR 193.A O no hydrogen 2.924 N/A ARG 212.A NH2 ASP 214.A OD2 no hydrogen 2.849 N/A GLY 215.A N ARG 212.A O no hydrogen 3.068 N/A SER 216.A N ASP 214.A OD1 no hydrogen 3.035 N/A LEU 219.A N PHE 196.A O no hydrogen 2.753 N/A ILE 220.A N LEU 15.A O no hydrogen 2.849 N/A ASN 221.A N VAL 198.A O no hydrogen 2.932 N/A VAL 222.A N CYS 17.A O no hydrogen 2.924 N/A SER 223.A OG ASP 21.A OD2 no hydrogen 2.606 N/A LEU 226.A N SER 223.A O no hydrogen 3.084 N/A ALA 227.A N SER 223.A O no hydrogen 2.953 N/A ARG 228.A N ARG 224.A O no hydrogen 3.010 N/A ALA 229.A N LEU 226.A O no hydrogen 3.158 N/A ALA 234.A N ASP 231.A OD1 no hydrogen 3.217 N/A ALA 235.A N ASP 231.A O no hydrogen 2.956 N/A ALA 236.A N PRO 232.A O no hydrogen 2.948 N/A LYS 237.A N ARG 233.A O no hydrogen 3.151 N/A LYS 237.A NZ GLU 241.A OE1 no hydrogen 3.548 N/A LYS 237.A NZ GLU 241.A OE2 no hydrogen 2.597 N/A GLU 238.A N ALA 234.A O no hydrogen 2.936 N/A LEU 239.A N ALA 235.A O no hydrogen 2.975 N/A CYS 240.A N ALA 236.A O no hydrogen 2.887 N/A CYS 240.A SG ARG 13.A O no hydrogen 3.349 N/A CYS 240.A SG SER 14.A OG no hydrogen 3.446 N/A GLU 241.A N LYS 237.A O no hydrogen 2.959 N/A GLU 242.A N GLU 238.A O no hydrogen 2.881 N/A ILE 243.A N LEU 239.A O no hydrogen 3.018 N/A ASN 244.A N CYS 240.A O no hydrogen 3.037 N/A ASN 244.A ND2 ARG 13.A O no hydrogen 2.846 N/A ALA 245.A N GLU 241.A O no hydrogen 2.860 N/A ILE 246.A N GLU 242.A O no hydrogen 3.274 N/A ARG 247.A N ILE 243.A O no hydrogen 3.019 N/A ARG 247.A NE GLY 215.A O no hydrogen 2.802 N/A ARG 247.A NH1 ALA 11.A O no hydrogen 2.952 N/A ARG 247.A NH1 ASN 244.A OD1 no hydrogen 3.010 N/A ARG 247.A NH2 ALA 11.A O no hydrogen 3.090 N/A ARG 247.A NH2 GLY 215.A O no hydrogen 3.356 N/A PHE 248.A N ASN 244.A O no hydrogen 2.803 N/A ALA 249.A N ALA 245.A O no hydrogen 3.199 N/A