Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3wff_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N SER 2.A OG no hydrogen 2.902 N/A ARG 6.A N SER 2.A O no hydrogen 2.813 N/A ALA 7.A N THR 3.A O no hydrogen 3.175 N/A LEU 8.A N ILE 4.A O no hydrogen 3.108 N/A LEU 8.A N SER 5.A O no hydrogen 3.245 N/A MET 14.A N SER 11.A OG no hydrogen 3.354 N/A VAL 15.A N SER 11.A O no hydrogen 3.048 N/A LEU 16.A N PRO 12.A O no hydrogen 3.039 N/A GLU 17.A N VAL 13.A O no hydrogen 3.056 N/A ASN 18.A N MET 14.A O no hydrogen 3.009 N/A ILE 19.A N VAL 15.A O no hydrogen 3.070 N/A ALA 26.A N ASP 106.A OD1 no hydrogen 2.833 N/A GLY 27.A N ASP 106.A OD2 no hydrogen 2.674 N/A TYR 28.A N ASP 106.A OD2 no hydrogen 3.057 N/A TYR 28.A OH ASP 34.A OD1 no hydrogen 2.388 N/A TYR 28.A OH ASP 34.A OD2 no hydrogen 3.148 N/A SER 31.A N ASP 29.A OD1 no hydrogen 2.966 N/A SER 31.A OG ASP 29.A OD1 no hydrogen 2.610 N/A LYS 32.A N ASP 29.A O no hydrogen 3.168 N/A ASN 38.A N THR 35.A OG1 no hydrogen 3.371 N/A ASN 38.A ND2 PRO 33.A O no hydrogen 2.900 N/A LEU 39.A N THR 35.A O no hydrogen 2.798 N/A LEU 40.A N ALA 36.A O no hydrogen 2.770 N/A SER 41.A N GLU 37.A O no hydrogen 3.098 N/A SER 41.A OG GLU 37.A O no hydrogen 2.602 N/A THR 42.A N ASN 38.A O no hydrogen 2.929 N/A THR 42.A OG1 ASN 38.A O no hydrogen 2.692 N/A LEU 43.A N LEU 39.A O no hydrogen 2.796 N/A ASN 44.A N LEU 40.A O no hydrogen 2.855 N/A ASN 44.A ND2 GLU 229.A O no hydrogen 3.054 N/A ARG 45.A N SER 41.A O no hydrogen 2.992 N/A ARG 45.A NE ALA 26.A O no hydrogen 3.066 N/A ARG 45.A NH2 ALA 26.A O no hydrogen 3.492 N/A ARG 45.A NH2 GLY 27.A O no hydrogen 2.746 N/A ARG 45.A NH2 THR 42.A OG1 no hydrogen 3.326 N/A LEU 46.A N THR 42.A O no hydrogen 2.914 N/A ALA 47.A N LEU 43.A O no hydrogen 2.737 N/A GLY 48.A N ASN 44.A O no hydrogen 2.896 N/A LYS 49.A N ARG 45.A O no hydrogen 3.192 N/A LYS 49.A NZ TYR 25.A O no hydrogen 3.206 N/A GLN 50.A N LEU 46.A O no hydrogen 2.846 N/A GLN 50.A NE2 PHE 103.A O no hydrogen 3.492 N/A MET 51.A N ALA 47.A O no hydrogen 2.875 N/A ILE 52.A N GLY 48.A O no hydrogen 3.115 N/A GLN 53.A N LYS 49.A O no hydrogen 3.285 N/A VAL 54.A N GLN 50.A O no hydrogen 2.853 N/A VAL 55.A N MET 51.A O no hydrogen 2.959 N/A LYS 56.A N ILE 52.A O no hydrogen 3.196 N/A LYS 56.A NZ GLN 53.A OE1 no hydrogen 2.962 N/A TRP 57.A N GLN 53.A O no hydrogen 2.827 N/A ALA 58.A N VAL 54.A O no hydrogen 2.765 N/A LYS 59.A N VAL 55.A O no hydrogen 2.974 N/A VAL 60.A N TRP 57.A O no hydrogen 3.179 N/A LEU 61.A N ALA 58.A O no hydrogen 3.143 N/A PHE 64.A N LEU 61.A O no hydrogen 3.029 N/A ASN 66.A N GLY 63.A O no hydrogen 3.035 N/A LEU 67.A N PHE 64.A O no hydrogen 3.041 N/A GLN 72.A N PRO 68.A O no hydrogen 2.977 N/A GLN 72.A NE2 LEU 67.A O no hydrogen 2.731 N/A ILE 73.A N LEU 69.A O no hydrogen 2.938 N/A THR 74.A N GLU 70.A O no hydrogen 2.892 N/A THR 74.A OG1 GLU 70.A O no hydrogen 2.749 N/A LEU 75.A N ASP 71.A O no hydrogen 2.831 N/A ILE 76.A N GLN 72.A O no hydrogen 3.152 N/A GLN 77.A N ILE 73.A O no hydrogen 3.043 N/A GLN 77.A NE2 ASP 240.A OD2 no hydrogen 2.926 N/A TYR 78.A N THR 74.A O no hydrogen 2.927 N/A TYR 78.A OH ASN 249.A O no hydrogen 2.487 N/A SER 79.A N LEU 75.A O no hydrogen 2.991 N/A SER 79.A OG LEU 75.A O no hydrogen 2.683 N/A TRP 80.A NE1 GLN 241.A OE1 no hydrogen 2.755 N/A LEU 83.A N SER 79.A O no hydrogen 2.943 N/A LEU 84.A N TRP 80.A O no hydrogen 2.966 N/A SER 85.A N MET 81.A O no hydrogen 2.876 N/A SER 85.A OG MET 81.A O no hydrogen 2.770 N/A PHE 86.A N SER 82.A O no hydrogen 2.957 N/A ALA 87.A N LEU 83.A O no hydrogen 3.013 N/A LEU 88.A N LEU 84.A O no hydrogen 2.860 N/A SER 89.A N SER 85.A O no hydrogen 2.904 N/A SER 89.A OG SER 85.A O no hydrogen 3.073 N/A TRP 90.A N PHE 86.A O no hydrogen 2.930 N/A ARG 91.A N ALA 87.A O no hydrogen 2.890 N/A ARG 91.A NE TYR 102.A O no hydrogen 3.118 N/A ARG 91.A NE PHE 103.A O no hydrogen 3.290 N/A ARG 91.A NH2 PHE 103.A O no hydrogen 3.083 N/A SER 92.A N LEU 88.A O no hydrogen 2.837 N/A SER 92.A OG LEU 88.A O no hydrogen 2.681 N/A TYR 93.A N SER 89.A O no hydrogen 2.867 N/A LYS 94.A N TRP 90.A O no hydrogen 2.827 N/A HIS 95.A N ARG 91.A O no hydrogen 2.870 N/A HIS 95.A ND1 ARG 91.A O no hydrogen 3.101 N/A THR 96.A N SER 92.A O no hydrogen 3.034 N/A THR 96.A OG1 SER 92.A O no hydrogen 2.717 N/A THR 96.A OG1 PHE 100.A O no hydrogen 3.367 N/A SER 98.A N SER 92.A O no hydrogen 2.870 N/A SER 98.A OG SER 130.A O no hydrogen 2.709 N/A GLN 99.A N THR 96.A O no hydrogen 3.082 N/A GLN 99.A NE2 THR 96.A O no hydrogen 3.386 N/A PHE 100.A N THR 96.A OG1 no hydrogen 3.117 N/A LEU 101.A N PHE 109.A O no hydrogen 2.995 N/A TYR 102.A N SER 92.A OG no hydrogen 2.941 N/A PHE 103.A N LEU 107.A O no hydrogen 2.923 N/A ALA 104.A N LEU 107.A O no hydrogen 3.199 N/A LEU 107.A N ALA 104.A O no hydrogen 3.028 N/A PHE 109.A N LEU 101.A O no hydrogen 2.852 N/A LYS 113.A N ASN 110.A OD1 no hydrogen 3.161 N/A LYS 113.A NZ ASP 34.A OD2 no hydrogen 3.489 N/A MET 114.A N ASN 110.A O no hydrogen 3.025 N/A HIS 115.A N GLU 111.A O no hydrogen 3.024 N/A GLN 116.A N GLU 112.A O no hydrogen 2.910 N/A SER 117.A N LYS 113.A O no hydrogen 2.851 N/A SER 117.A OG LYS 113.A O no hydrogen 3.397 N/A SER 117.A OG MET 114.A O no hydrogen 2.783 N/A ALA 118.A N HIS 115.A O no hydrogen 2.970 N/A MET 119.A N SER 117.A OG no hydrogen 3.350 N/A CYS 123.A N MET 119.A O no hydrogen 2.905 N/A CYS 123.A SG MET 119.A O no hydrogen 3.365 N/A GLN 124.A N TYR 120.A O no hydrogen 2.854 N/A GLN 124.A NE2 GLU 111.A OE2 no hydrogen 3.461 N/A GLN 124.A NE2 TYR 120.A OH no hydrogen 2.878 N/A GLY 125.A N GLU 121.A O no hydrogen 2.933 N/A MET 126.A N LEU 122.A O no hydrogen 3.061 N/A HIS 127.A N CYS 123.A O no hydrogen 2.739 N/A GLN 128.A N GLN 124.A O no hydrogen 2.914 N/A ILE 129.A N GLY 125.A O no hydrogen 3.090 N/A SER 130.A N MET 126.A O no hydrogen 2.913 N/A SER 130.A OG HIS 127.A O no hydrogen 2.543 N/A LEU 131.A N HIS 127.A O no hydrogen 2.850 N/A GLN 132.A N GLN 128.A O no hydrogen 3.300 N/A PHE 133.A N SER 130.A O no hydrogen 3.091 N/A ARG 135.A N LEU 131.A O no hydrogen 3.074 N/A ARG 135.A NE GLN 132.A OE1 no hydrogen 2.700 N/A ARG 135.A NH1 GLN 132.A OE1 no hydrogen 3.080 N/A ARG 135.A NH1 GLN 197.A OE1.A no hydrogen 2.968 N/A ARG 135.A NH2 GLN 197.A OE1.A no hydrogen 3.403 N/A ARG 135.A NH2 GLN 197.A OE1.B no hydrogen 2.876 N/A LEU 136.A N GLN 132.A O no hydrogen 2.880 N/A GLN 137.A N VAL 134.A O no hydrogen 3.233 N/A GLN 137.A NE2 VAL 134.A O no hydrogen 2.688 N/A LEU 138.A N PHE 133.A O no hydrogen 2.989 N/A THR 139.A N GLU 142.A OE2 no hydrogen 3.028 N/A GLU 142.A N THR 139.A OG1 no hydrogen 3.138 N/A TYR 143.A N THR 139.A O no hydrogen 2.890 N/A TYR 143.A OH GLU 20.A OE1 no hydrogen 3.412 N/A THR 144.A N PHE 140.A O no hydrogen 2.971 N/A THR 144.A OG1 PHE 140.A O no hydrogen 3.359 N/A THR 144.A OG1 GLU 141.A O no hydrogen 3.058 N/A ILE 145.A N GLU 141.A O no hydrogen 3.270 N/A MET 146.A N GLU 142.A O no hydrogen 2.793 N/A LYS 147.A N TYR 143.A O no hydrogen 2.840 N/A LYS 147.A NZ GLU 20.A OE2 no hydrogen 3.026 N/A VAL 148.A N THR 144.A O no hydrogen 3.356 N/A LEU 149.A N ILE 145.A O no hydrogen 3.118 N/A LEU 150.A N MET 146.A O no hydrogen 2.883 N/A LEU 151.A N LYS 147.A O no hydrogen 3.068 N/A LEU 152.A N VAL 148.A O no hydrogen 3.132 N/A LEU 152.A N LEU 149.A O no hydrogen 3.064 N/A SER 153.A N LEU 150.A O no hydrogen 3.101 N/A SER 153.A OG LEU 149.A O no hydrogen 2.606 N/A ILE 155.A N LYS 251.A O no hydrogen 2.923 N/A LYS 157.A N ASN 249.A OD1 no hydrogen 3.058 N/A GLY 159.A N PRO 156.A O no hydrogen 2.767 N/A LEU 160.A N GLN 163.A OE1 no hydrogen 2.715 N/A LYS 161.A N ASP 71.A OD1 no hydrogen 2.762 N/A SER 162.A N ASP 71.A OD2 no hydrogen 2.695 N/A PHE 166.A N SER 162.A O no hydrogen 3.126 N/A GLU 167.A N GLN 163.A O no hydrogen 2.938 N/A GLU 168.A N ALA 164.A O no hydrogen 2.999 N/A MET 169.A N ALA 165.A O no hydrogen 2.961 N/A ARG 170.A N PHE 166.A O no hydrogen 2.755 N/A THR 171.A N GLU 167.A O no hydrogen 2.888 N/A THR 171.A OG1 GLU 167.A O no hydrogen 2.857 N/A ASN 172.A N GLU 168.A O no hydrogen 2.904 N/A TYR 173.A N MET 169.A O no hydrogen 3.075 N/A TYR 173.A OH PRO 62.A O no hydrogen 2.568 N/A ILE 174.A N ARG 170.A O no hydrogen 2.847 N/A LYS 175.A N THR 171.A O no hydrogen 2.852 N/A GLU 176.A N ASN 172.A O no hydrogen 3.031 N/A LEU 177.A N TYR 173.A O no hydrogen 3.041 N/A ARG 178.A N ILE 174.A O no hydrogen 2.876 N/A LYS 179.A N LYS 175.A O no hydrogen 2.910 N/A MET 180.A N GLU 176.A O no hydrogen 2.954 N/A VAL 181.A N LEU 177.A O no hydrogen 2.881 N/A THR 182.A N ARG 178.A O no hydrogen 3.003 N/A THR 182.A OG1 ARG 178.A O no hydrogen 2.949 N/A LYS 183.A N LYS 179.A O no hydrogen 3.041 N/A CYS 184.A N MET 180.A O no hydrogen 2.726 N/A ASN 186.A ND2 GLU 142.A OE1 no hydrogen 2.857 N/A ASN 187.A ND2 ARG 135.A O no hydrogen 2.848 N/A SER 188.A N PRO 185.A O no hydrogen 3.294 N/A GLN 190.A N SER 188.A O no hydrogen 3.132 N/A GLN 190.A N GLN 193.A OE1 no hydrogen 3.164 N/A SER 191.A OG VAL 181.A O no hydrogen 2.600 N/A SER 191.A OG THR 182.A O no hydrogen 3.381 N/A ARG 194.A N GLN 190.A O no hydrogen 2.958 N/A ARG 194.A NE GLU 142.A OE1 no hydrogen 2.773 N/A ARG 194.A NH1 LEU 136.A O no hydrogen 2.890 N/A ARG 194.A NH1 ASN 187.A OD1 no hydrogen 2.817 N/A ARG 194.A NH1 SER 188.A OG no hydrogen 3.050 N/A ARG 194.A NH2 LEU 136.A O no hydrogen 2.817 N/A ARG 194.A NH2 GLU 142.A OE1 no hydrogen 3.373 N/A ARG 194.A NH2 GLU 142.A OE2 no hydrogen 2.784 N/A PHE 195.A N SER 191.A O no hydrogen 3.014 N/A TYR 196.A N TRP 192.A O no hydrogen 3.000 N/A GLN 197.A N GLN 193.A O no hydrogen 2.874 N/A GLN 197.A NE2.B SER 188.A OG no hydrogen 2.647 N/A LEU 198.A N ARG 194.A O no hydrogen 2.981 N/A THR 199.A N PHE 195.A O no hydrogen 2.956 N/A THR 199.A OG1 PHE 195.A O no hydrogen 2.763 N/A THR 199.A OG1 TYR 196.A O no hydrogen 3.211 N/A THR 199.A OG1 HIS 256.A NE2 no hydrogen 2.758 N/A LYS 200.A N TYR 196.A O no hydrogen 2.926 N/A LEU 201.A N GLN 197.A O no hydrogen 2.938 N/A LEU 202.A N LEU 198.A O no hydrogen 3.026 N/A ASP 203.A N THR 199.A O no hydrogen 2.958 N/A SER 204.A N LYS 200.A O no hydrogen 2.883 N/A SER 204.A OG LEU 201.A O no hydrogen 2.634 N/A MET 205.A N LEU 202.A O no hydrogen 2.991 N/A HIS 206.A N ASP 203.A O no hydrogen 3.192 N/A HIS 206.A NE2.A LEU 253.A O no hydrogen 3.186 N/A VAL 209.A N MET 205.A O no hydrogen 2.790 N/A SER 210.A N HIS 206.A O no hydrogen 2.781 N/A SER 210.A OG HIS 206.A O no hydrogen 3.188 N/A ASP 211.A N ASP 207.A O no hydrogen 2.880 N/A LEU 212.A N LEU 208.A O no hydrogen 2.836 N/A LEU 213.A N VAL 209.A O no hydrogen 2.810 N/A GLU 214.A N SER 210.A O no hydrogen 2.993 N/A PHE 215.A N ASP 211.A O no hydrogen 3.212 N/A CYS 216.A N LEU 212.A O no hydrogen 2.971 N/A PHE 217.A N LEU 213.A O no hydrogen 2.768 N/A TYR 218.A N GLU 214.A O no hydrogen 2.968 N/A THR 219.A N PHE 215.A O no hydrogen 2.956 N/A THR 219.A OG1 PHE 215.A O no hydrogen 3.408 N/A THR 219.A OG1 CYS 216.A O no hydrogen 3.166 N/A PHE 220.A N CYS 216.A O no hydrogen 2.894 N/A ARG 221.A N PHE 217.A O no hydrogen 2.960 N/A GLU 222.A N TYR 218.A O no hydrogen 3.056 N/A SER 223.A N PHE 220.A O no hydrogen 3.135 N/A SER 223.A OG VAL 228.A O no hydrogen 2.520 N/A LEU 226.A N GLU 222.A O no hydrogen 2.907 N/A LYS 227.A N HIS 224.A O no hydrogen 3.292 N/A VAL 228.A N SER 223.A O no hydrogen 2.983 N/A GLU 229.A N SER 41.A OG no hydrogen 3.014 N/A VAL 235.A N PRO 231.A O no hydrogen 2.966 N/A GLU 236.A N ALA 232.A O no hydrogen 2.859 N/A ILE 237.A N MET 233.A O no hydrogen 3.082 N/A ILE 238.A N LEU 234.A O no hydrogen 2.802 N/A SER 239.A N VAL 235.A O no hydrogen 2.838 N/A SER 239.A OG VAL 235.A O no hydrogen 2.632 N/A ASP 240.A N GLU 236.A O no hydrogen 3.347 N/A GLN 241.A N ILE 237.A O no hydrogen 2.705 N/A LEU 242.A N ILE 238.A O no hydrogen 2.709 N/A VAL 245.A N GLN 241.A O no hydrogen 3.014 N/A GLU 246.A N LEU 242.A O no hydrogen 2.969 N/A SER 247.A N PRO 243.A O no hydrogen 3.080 N/A SER 247.A OG PRO 243.A O no hydrogen 2.779 N/A SER 247.A OG LYS 244.A O no hydrogen 3.215 N/A GLY 248.A N VAL 245.A O no hydrogen 3.045 N/A ASN 249.A N LYS 244.A O no hydrogen 2.749 N/A VAL 250.A N GLY 248.A O no hydrogen 2.763 N/A LYS 251.A N ILE 155.A O no hydrogen 2.623 N/A LEU 253.A N SER 153.A O no hydrogen 2.658 N/A PHE 255.A N ASP 203.A OD1 no hydrogen 2.746 N/A HIS 256.A N ASP 203.A OD2 no hydrogen 2.804 N/A HIS 256.A NE2 THR 199.A OG1 no hydrogen 2.758 N/A LYS 258.A NZ ASP 207.A OD1 no hydrogen 3.550 N/A