Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wt5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLN 6.A OE1 no hydrogen 3.337 N/A GLN 6.A N SER 3.A OG no hydrogen 3.223 N/A GLN 7.A N SER 3.A O no hydrogen 2.846 N/A GLN 7.A NE2 LEU 2.A O no hydrogen 3.170 N/A GLN 7.A NE2 SER 3.A O no hydrogen 3.676 N/A HIS 8.A N GLU 4.A O no hydrogen 2.912 N/A ILE 9.A N GLU 5.A O no hydrogen 2.926 N/A ILE 10.A N GLN 6.A O no hydrogen 3.155 N/A ALA 11.A N GLN 7.A O no hydrogen 2.985 N/A ILE 12.A N HIS 8.A O no hydrogen 3.001 N/A LEU 13.A N ILE 9.A O no hydrogen 2.997 N/A LEU 14.A N ILE 10.A O no hydrogen 2.844 N/A ASP 15.A N ALA 11.A O no hydrogen 3.121 N/A ALA 16.A N ILE 12.A O no hydrogen 2.875 N/A HIS 17.A N LEU 13.A O no hydrogen 2.897 N/A HIS 18.A N LEU 14.A O no hydrogen 2.888 N/A HIS 18.A NE2 GLU 143.A OE1 no hydrogen 2.838 N/A LYS 19.A N ASP 15.A O no hydrogen 3.061 N/A THR 20.A N HIS 17.A O no hydrogen 3.012 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.680 N/A THR 20.A OG1 HIS 17.A O no hydrogen 3.313 N/A TYR 21.A OH TYR 25.A OH no hydrogen 2.429 N/A THR 24.A N ASP 22.A OD1 no hydrogen 2.756 N/A THR 24.A OG1 ASP 22.A OD1 no hydrogen 2.627 N/A THR 24.A OG1 ASP 22.A OD2 no hydrogen 3.015 N/A TYR 25.A N ASP 22.A O no hydrogen 2.976 N/A TYR 25.A OH TYR 21.A OH no hydrogen 2.429 N/A ALA 26.A N ASP 22.A OD2 no hydrogen 3.235 N/A PHE 28.A N TYR 25.A O no hydrogen 3.181 N/A ASP 30.A N ASP 27.A O no hydrogen 2.988 N/A PHE 31.A N PHE 28.A O no hydrogen 3.071 N/A ARG 32.A N ASP 48.A OD2 no hydrogen 2.723 N/A ARG 32.A NE ASP 48.A OD1 no hydrogen 3.230 N/A ARG 32.A NE ASP 48.A OD2 no hydrogen 3.006 N/A ARG 32.A NH1 LYS 229.A O no hydrogen 3.051 N/A ARG 32.A NH2 ASP 48.A OD1 no hydrogen 2.890 N/A ARG 32.A NH2 LYS 229.A O no hydrogen 2.806 N/A ARG 36.A NE ASP 115.A OD1 no hydrogen 2.949 N/A ARG 36.A NE ASP 115.A OD2 no hydrogen 3.169 N/A ARG 36.A NH1 ASP 108.A O no hydrogen 2.880 N/A ARG 36.A NH2 ASP 108.A O no hydrogen 2.751 N/A ARG 36.A NH2 LYS 110.A O no hydrogen 2.828 N/A ARG 36.A NH2 ASP 115.A OD2 no hydrogen 3.494 N/A SER 41.A N PRO 39.A O no hydrogen 2.724 N/A SER 41.A OG VAL 35.A O no hydrogen 2.583 N/A MET 42.A N LYS 118.A O no hydrogen 2.995 N/A LEU 43.A N LEU 40.A O no hydrogen 3.151 N/A HIS 45.A ND1 ARG 32.A O no hydrogen 2.767 N/A HIS 45.A NE2 TYR 111.A OH no hydrogen 2.766 N/A LEU 46.A N MET 42.A O no hydrogen 2.991 N/A ALA 47.A N LEU 43.A O no hydrogen 2.762 N/A ASP 48.A N PRO 44.A O no hydrogen 3.132 N/A LEU 49.A N HIS 45.A O no hydrogen 2.961 N/A VAL 50.A N LEU 46.A O no hydrogen 2.844 N/A SER 51.A N ALA 47.A O no hydrogen 2.906 N/A SER 51.A OG THR 231.A OG1 no hydrogen 2.749 N/A TYR 52.A N ASP 48.A O no hydrogen 2.819 N/A TYR 52.A OH ASP 27.A OD2 no hydrogen 2.636 N/A SER 53.A N LEU 49.A O no hydrogen 2.877 N/A SER 53.A OG LEU 49.A O no hydrogen 2.840 N/A ILE 54.A N VAL 50.A O no hydrogen 2.710 N/A GLN 55.A N SER 51.A O no hydrogen 3.164 N/A LYS 56.A N TYR 52.A O no hydrogen 3.127 N/A VAL 57.A N SER 53.A O no hydrogen 2.968 N/A ILE 58.A N ILE 54.A O no hydrogen 2.977 N/A GLY 59.A N GLN 55.A O no hydrogen 3.101 N/A PHE 60.A N LYS 56.A O no hydrogen 2.992 N/A ALA 61.A N VAL 57.A O no hydrogen 2.797 N/A LYS 62.A N ILE 58.A O no hydrogen 3.022 N/A MET 63.A N PHE 60.A O no hydrogen 3.025 N/A ILE 64.A N ALA 61.A O no hydrogen 2.994 N/A PHE 67.A N ILE 64.A O no hydrogen 2.977 N/A ASP 69.A N GLY 66.A O no hydrogen 2.933 N/A LEU 70.A N PHE 67.A O no hydrogen 3.120 N/A ASP 74.A N THR 71.A OG1 no hydrogen 3.146 N/A GLN 75.A N THR 71.A O no hydrogen 2.895 N/A ILE 76.A N SER 72.A O no hydrogen 2.894 N/A VAL 77.A N ASP 73.A O no hydrogen 3.040 N/A LEU 78.A N ASP 74.A O no hydrogen 2.998 N/A LEU 79.A N GLN 75.A O no hydrogen 3.016 N/A LYS 80.A N ILE 76.A O no hydrogen 2.884 N/A SER 81.A N VAL 77.A O no hydrogen 3.155 N/A SER 81.A OG VAL 77.A O no hydrogen 2.882 N/A SER 81.A OG LEU 78.A O no hydrogen 3.278 N/A SER 82.A N LEU 78.A O no hydrogen 2.993 N/A SER 82.A OG LEU 78.A O no hydrogen 2.661 N/A ALA 83.A N LEU 79.A O no hydrogen 2.839 N/A VAL 86.A N SER 82.A O no hydrogen 2.886 N/A ILE 87.A N ALA 83.A O no hydrogen 2.980 N/A MET 88.A N ILE 84.A O no hydrogen 2.912 N/A LEU 89.A N GLU 85.A O no hydrogen 2.944 N/A ARG 90.A N VAL 86.A O no hydrogen 2.869 N/A ARG 90.A NH2 THR 20.A O no hydrogen 2.988 N/A SER 91.A N ILE 87.A O no hydrogen 2.896 N/A SER 91.A OG ILE 87.A O no hydrogen 3.437 N/A SER 91.A OG MET 88.A O no hydrogen 2.678 N/A ASN 92.A N LEU 89.A O no hydrogen 3.017 N/A ASN 92.A ND2 GLN 133.A O no hydrogen 3.010 N/A ASN 92.A ND2 GLN 133.A OE1 no hydrogen 2.804 N/A GLN 93.A N ARG 90.A O no hydrogen 3.273 N/A GLN 93.A NE2 HIS 17.A NE2 no hydrogen 3.014 N/A SER 94.A N SER 91.A O no hydrogen 3.050 N/A SER 94.A OG SER 91.A O no hydrogen 3.166 N/A PHE 95.A N SER 91.A O no hydrogen 3.090 N/A PHE 95.A N ASN 92.A O no hydrogen 3.229 N/A THR 96.A N SER 101.A O no hydrogen 2.876 N/A ASP 98.A N THR 96.A OG1 no hydrogen 3.240 N/A MET 100.A N THR 96.A O no hydrogen 2.939 N/A SER 101.A N THR 96.A O no hydrogen 3.302 N/A SER 101.A OG ASP 99.A OD1 no hydrogen 2.793 N/A TRP 102.A N TYR 111.A O no hydrogen 2.815 N/A ASP 103.A N SER 94.A O no hydrogen 2.880 N/A CYS 104.A N TYR 109.A O no hydrogen 2.779 N/A GLY 105.A N ASP 103.A OD1 no hydrogen 3.150 N/A TYR 109.A N SER 106.A O no hydrogen 3.011 N/A LYS 110.A N GLN 107.A O no hydrogen 3.402 N/A LYS 110.A NZ ASP 99.A OD2 no hydrogen 2.451 N/A LYS 110.A NZ SER 101.A OG no hydrogen 2.919 N/A TYR 111.A N TRP 102.A O no hydrogen 2.873 N/A TYR 111.A OH HIS 45.A NE2 no hydrogen 2.766 N/A ASP 112.A N ASP 115.A OD2 no hydrogen 3.144 N/A ASP 115.A N ASP 112.A OD1 no hydrogen 2.940 N/A VAL 116.A N ASP 112.A O no hydrogen 3.114 N/A SER 117.A N VAL 113.A O no hydrogen 2.910 N/A SER 117.A OG THR 114.A O no hydrogen 2.806 N/A LYS 118.A N THR 114.A O no hydrogen 3.014 N/A LYS 118.A N ASP 115.A O no hydrogen 3.058 N/A ALA 119.A N VAL 116.A O no hydrogen 3.042 N/A GLY 120.A N SER 117.A O no hydrogen 3.180 N/A LEU 125.A N THR 122.A O no hydrogen 3.223 N/A LEU 125.A N THR 122.A OG1 no hydrogen 3.358 N/A ILE 126.A N THR 122.A O no hydrogen 3.101 N/A GLU 127.A N LEU 123.A O no hydrogen 2.966 N/A LEU 129.A N ILE 126.A O no hydrogen 2.971 N/A ILE 130.A N ILE 126.A O no hydrogen 3.102 N/A LYS 131.A N GLU 127.A O no hydrogen 3.008 N/A PHE 132.A N PRO 128.A O no hydrogen 2.879 N/A GLN 133.A N LEU 129.A O no hydrogen 2.983 N/A GLN 133.A NE2 MET 88.A O no hydrogen 2.821 N/A VAL 134.A N ILE 130.A O no hydrogen 3.014 N/A GLY 135.A N LYS 131.A O no hydrogen 3.017 N/A LEU 136.A N PHE 132.A O no hydrogen 2.917 N/A LYS 137.A N GLN 133.A O no hydrogen 2.758 N/A LYS 137.A NZ ASN 92.A O no hydrogen 2.852 N/A LYS 137.A NZ PHE 95.A O no hydrogen 2.748 N/A LYS 138.A N VAL 134.A O no hydrogen 2.962 N/A LEU 139.A N LEU 136.A O no hydrogen 3.128 N/A ASN 140.A N LYS 137.A O no hydrogen 2.920 N/A HIS 142.A N GLU 145.A OE2 no hydrogen 2.744 N/A HIS 142.A ND1 TYR 182.A OH no hydrogen 2.626 N/A GLU 144.A N GLU 144.A OE2 no hydrogen 2.832 N/A HIS 146.A N HIS 142.A O no hydrogen 3.006 N/A VAL 147.A N GLU 143.A O no hydrogen 2.966 N/A LEU 148.A N GLU 144.A O no hydrogen 3.175 N/A LEU 149.A N GLU 145.A O no hydrogen 2.897 N/A MET 150.A N HIS 146.A O no hydrogen 3.029 N/A ALA 151.A N VAL 147.A O no hydrogen 3.048 N/A ILE 152.A N LEU 148.A O no hydrogen 2.864 N/A CYS 153.A N LEU 149.A O no hydrogen 2.928 N/A CYS 153.A SG GLU 85.A OE1 no hydrogen 3.172 N/A ILE 154.A N MET 150.A O no hydrogen 3.134 N/A VAL 155.A N ALA 151.A O no hydrogen 3.136 N/A SER 156.A OG ILE 152.A O no hydrogen 3.277 N/A SER 156.A OG CYS 153.A O no hydrogen 2.748 N/A ARG 159.A NH1 GLU 85.A OE2 no hydrogen 3.029 N/A ARG 159.A NH2 GLU 85.A OE1 no hydrogen 3.018 N/A ARG 159.A NH2 CYS 153.A O no hydrogen 3.076 N/A VAL 162.A N ARG 159.A O no hydrogen 3.418 N/A GLN 163.A N ASP 74.A OD1 no hydrogen 2.868 N/A ASP 164.A N ASP 74.A OD2 no hydrogen 2.891 N/A VAL 168.A N ASP 164.A O no hydrogen 3.126 N/A GLU 169.A N ALA 165.A O no hydrogen 2.804 N/A ALA 170.A N LYS 166.A O no hydrogen 2.896 N/A ILE 171.A N LEU 167.A O no hydrogen 3.264 N/A GLN 172.A N VAL 168.A O no hydrogen 3.014 N/A GLN 172.A NE2 ILE 152.A O no hydrogen 2.882 N/A ASP 173.A N GLU 169.A O no hydrogen 2.856 N/A ARG 174.A N ALA 170.A O no hydrogen 3.261 N/A LEU 175.A N ILE 171.A O no hydrogen 3.123 N/A SER 176.A N GLN 172.A O no hydrogen 2.808 N/A SER 176.A OG TYR 196.A OH no hydrogen 2.708 N/A ASN 177.A N ASP 173.A O no hydrogen 2.845 N/A THR 178.A N ARG 174.A O no hydrogen 2.980 N/A THR 178.A OG1 ARG 174.A O no hydrogen 2.835 N/A LEU 179.A N LEU 175.A O no hydrogen 2.775 N/A GLN 180.A N SER 176.A O no hydrogen 2.940 N/A GLN 180.A NE2 SER 176.A O no hydrogen 3.233 N/A GLN 180.A NE2 SER 176.A OG no hydrogen 2.943 N/A THR 181.A N ASN 177.A O no hydrogen 3.076 N/A THR 181.A OG1 ASN 177.A O no hydrogen 2.905 N/A TYR 182.A N THR 178.A O no hydrogen 2.887 N/A TYR 182.A OH HIS 142.A ND1 no hydrogen 2.626 N/A ILE 183.A N LEU 179.A O no hydrogen 3.057 N/A ARG 184.A N GLN 180.A O no hydrogen 3.200 N/A CYS 185.A N THR 181.A O no hydrogen 2.854 N/A CYS 185.A SG THR 181.A O no hydrogen 3.504 N/A ARG 186.A N TYR 182.A O no hydrogen 2.781 N/A HIS 187.A N ILE 183.A O no hydrogen 3.057 N/A HIS 187.A ND1 GLU 145.A OE1 no hydrogen 2.479 N/A SER 192.A N PRO 188.A O no hydrogen 3.442 N/A SER 192.A OG HIS 187.A O no hydrogen 3.428 N/A HIS 193.A N PRO 190.A O no hydrogen 2.898 N/A LEU 195.A N SER 192.A O no hydrogen 3.146 N/A TYR 196.A OH SER 176.A OG no hydrogen 2.708 N/A LYS 198.A N GLN 194.A O no hydrogen 2.919 N/A MET 199.A N LEU 195.A O no hydrogen 2.962 N/A ILE 200.A N TYR 196.A O no hydrogen 2.996 N/A GLN 201.A N ALA 197.A O no hydrogen 3.007 N/A LYS 202.A N LYS 198.A O no hydrogen 3.243 N/A LEU 203.A N MET 199.A O no hydrogen 3.373 N/A ALA 204.A N ILE 200.A O no hydrogen 3.313 N/A ASP 205.A N GLN 201.A O no hydrogen 2.925 N/A LEU 206.A N LYS 202.A O no hydrogen 2.898 N/A ARG 207.A N LEU 203.A O no hydrogen 3.155 N/A ARG 207.A NH1 ASP 158.A OD2 no hydrogen 2.787 N/A ARG 207.A NH2 ASP 158.A OD1 no hydrogen 2.601 N/A ARG 207.A NH2 ASP 158.A OD2 no hydrogen 3.181 N/A SER 208.A N ALA 204.A O no hydrogen 3.424 N/A LEU 209.A N ASP 205.A O no hydrogen 3.014 N/A ASN 210.A N LEU 206.A O no hydrogen 2.901 N/A ASN 210.A ND2 SER 81.A O no hydrogen 2.814 N/A ASN 210.A ND2 GLU 85.A OE2 no hydrogen 2.742 N/A GLU 211.A N ARG 207.A O no hydrogen 2.950 N/A GLU 212.A N SER 208.A O no hydrogen 3.047 N/A HIS 213.A N.A LEU 209.A O no hydrogen 2.882 N/A HIS 213.A N.B LEU 209.A O no hydrogen 2.993 N/A SER 214.A N ASN 210.A O no hydrogen 2.815 N/A SER 214.A OG ASN 210.A O no hydrogen 2.992 N/A SER 214.A OG ASN 210.A OD1 no hydrogen 3.327 N/A LYS 215.A N GLU 211.A O no hydrogen 3.236 N/A GLN 216.A N GLU 212.A O no hydrogen 3.164 N/A GLN 216.A NE2 THR 122.A OG1 no hydrogen 2.813 N/A TYR 217.A N HIS 213.A O.A no hydrogen 2.654 N/A TYR 217.A N HIS 213.A O.B no hydrogen 2.675 N/A TYR 217.A OH GLY 239.A O no hydrogen 2.547 N/A ARG 218.A N SER 214.A O no hydrogen 3.096 N/A SER 219.A N LYS 215.A O no hydrogen 3.207 N/A LEU 220.A N GLN 216.A O no hydrogen 2.877 N/A SER 221.A N TYR 217.A O no hydrogen 2.831 N/A SER 221.A OG TYR 217.A O no hydrogen 2.809 N/A PHE 222.A N ARG 218.A O no hydrogen 3.198 N/A GLN 223.A N LEU 220.A O no hydrogen 3.277 N/A GLN 223.A NE2 GLU 225.A OE2 no hydrogen 3.003 N/A ASN 226.A N GLN 223.A O no hydrogen 2.941 N/A ASN 226.A ND2 LEU 220.A O no hydrogen 3.156 N/A SER 227.A N GLN 223.A O no hydrogen 2.961 N/A SER 227.A OG SER 221.A O no hydrogen 3.555 N/A MET 228.A N PRO 224.A O no hydrogen 2.927 N/A LYS 229.A N ASN 226.A O no hydrogen 2.866 N/A LEU 230.A N SER 227.A O no hydrogen 3.041 N/A THR 231.A OG1 SER 51.A OG no hydrogen 2.749 N/A VAL 234.A N THR 231.A OG1 no hydrogen 2.982 N/A LEU 235.A N THR 231.A O no hydrogen 3.019 N/A GLU 236.A N PRO 232.A O no hydrogen 2.966 N/A VAL 237.A N LEU 233.A O no hydrogen 2.802 N/A PHE 238.A N.A VAL 234.A O no hydrogen 2.870 N/A PHE 238.A N.B VAL 234.A O no hydrogen 2.841 N/A GLY 239.A N LEU 235.A O no hydrogen 2.827 N/A