Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6twt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 3.A N THR 1.A OG1 no hydrogen 2.925 N/A GLN 4.A N.A PHE 11.A O no hydrogen 2.890 N/A GLN 4.A N.B PHE 11.A O no hydrogen 2.990 N/A GLN 4.A NE2.A GLU 62.A OE2 no hydrogen 3.059 N/A PHE 6.A N LEU 9.A O.A no hydrogen 2.848 N/A PHE 6.A N LEU 9.A O.B no hydrogen 3.105 N/A ASP 8.A N.A GLN 54.A OE1 no hydrogen 2.736 N/A ASP 8.A N.B GLN 54.A OE1 no hydrogen 2.740 N/A LEU 9.A N.A PHE 6.A O no hydrogen 2.899 N/A LEU 9.A N.B PHE 6.A O no hydrogen 3.004 N/A VAL 10.A N THR 22.A O no hydrogen 2.959 N/A PHE 11.A N GLN 4.A O.A no hydrogen 2.709 N/A PHE 11.A N GLN 4.A O.B no hydrogen 3.055 N/A ARG 12.A N GLN 20.A O no hydrogen 3.032 N/A ARG 12.A NE ASP 3.A OD1 no hydrogen 2.846 N/A ARG 12.A NE ASP 3.A OD2 no hydrogen 3.363 N/A ARG 12.A NH1 ASP 3.A OD2 no hydrogen 2.937 N/A GLN 13.A NE2 ALA 15.A O no hydrogen 3.143 N/A GLN 13.A NE2 PRO 16.A O no hydrogen 3.131 N/A LEU 14.A N VAL 18.A O no hydrogen 2.810 N/A ALA 15.A N VAL 18.A O no hydrogen 3.195 N/A VAL 18.A N ALA 15.A O no hydrogen 3.181 N/A TRP 19.A N ILE 33.A O no hydrogen 2.895 N/A GLN 20.A N ARG 12.A O no hydrogen 2.808 N/A HIS 21.A N GLY 31.A O no hydrogen 2.960 N/A HIS 21.A NE2 VAL 43.A O no hydrogen 3.165 N/A HIS 21.A NE2 ASP 44.A O no hydrogen 2.940 N/A THR 22.A N VAL 10.A O no hydrogen 2.804 N/A THR 22.A OG1 ASN 30.A OD1 no hydrogen 2.699 N/A SER 23.A N SER 29.A O no hydrogen 2.990 N/A LEU 25.A N.A VAL 27.A O no hydrogen 3.037 N/A LEU 25.A N.B VAL 27.A O no hydrogen 3.008 N/A VAL 27.A N LEU 25.A O.A no hydrogen 2.768 N/A SER 29.A N SER 23.A O no hydrogen 2.814 N/A ASN 30.A N SER 203.A O no hydrogen 2.797 N/A ASN 30.A ND2 MET 202.A O.A no hydrogen 2.964 N/A ASN 30.A ND2 MET 202.A O.B no hydrogen 2.964 N/A GLY 31.A N HIS 21.A O no hydrogen 2.882 N/A LEU 32.A N VAL 43.A O no hydrogen 2.943 N/A ILE 33.A N TRP 19.A O no hydrogen 2.825 N/A VAL 34.A N LEU 41.A O no hydrogen 2.822 N/A ARG 35.A N ASN 17.A O no hydrogen 2.860 N/A ARG 35.A NE ASN 17.A OD1 no hydrogen 2.895 N/A ARG 35.A NH2 PRO 16.A O no hydrogen 2.913 N/A ARG 35.A NH2 ASN 17.A OD1 no hydrogen 3.392 N/A ASP 36.A N ARG 39.A O no hydrogen 2.807 N/A ARG 39.A N ASP 36.A O no hydrogen 3.244 N/A ARG 39.A NE ASP 36.A OD2 no hydrogen 2.961 N/A ARG 39.A NH1 ASN 130.A O.A no hydrogen 3.013 N/A ARG 39.A NH1 ASN 130.A O.B no hydrogen 3.014 N/A ARG 39.A NH2 ASP 36.A OD2 no hydrogen 2.855 N/A ARG 39.A NH2 ASN 130.A O.A no hydrogen 2.803 N/A ARG 39.A NH2 ASN 130.A O.B no hydrogen 2.817 N/A VAL 40.A N PRO 66.A O no hydrogen 2.826 N/A LEU 41.A N VAL 34.A O no hydrogen 2.811 N/A VAL 42.A N LEU 69.A O no hydrogen 3.072 N/A VAL 43.A N LEU 32.A O no hydrogen 2.850 N/A ASP 44.A N VAL 71.A O no hydrogen 2.856 N/A THR 45.A N LYS 79.A O no hydrogen 2.994 N/A THR 45.A OG1 ALA 46.A O no hydrogen 2.718 N/A ALA 46.A N THR 52.A OG1 no hydrogen 3.068 N/A TRP 47.A N SER 23.A OG no hydrogen 3.400 N/A TRP 47.A NE1 SER 23.A O no hydrogen 3.225 N/A GLN 51.A N THR 48.A OG1 no hydrogen 3.069 N/A GLN 51.A NE2 TYR 24.A O no hydrogen 2.986 N/A THR 52.A N THR 48.A O no hydrogen 2.949 N/A THR 52.A OG1 THR 48.A O no hydrogen 2.822 N/A ALA 53.A N ASP 49.A O no hydrogen 2.883 N/A GLN 54.A N ASP 50.A O.A no hydrogen 3.083 N/A GLN 54.A N ASP 50.A O.B no hydrogen 3.138 N/A GLN 54.A NE2 ASP 8.A OD2.A no hydrogen 3.088 N/A GLN 54.A NE2 ASP 8.A OD2.B no hydrogen 3.253 N/A GLN 54.A NE2 ASP 50.A OD2.B no hydrogen 2.917 N/A ILE 55.A N GLN 51.A O no hydrogen 3.087 N/A LEU 56.A N THR 52.A O no hydrogen 3.148 N/A ASN 57.A N ALA 53.A O no hydrogen 2.967 N/A ASN 57.A ND2 ALA 53.A O no hydrogen 2.899 N/A TRP 58.A N GLN 54.A O no hydrogen 2.887 N/A TRP 58.A NE1 GLN 4.A OE1.A no hydrogen 2.863 N/A TRP 58.A NE1 GLN 4.A OE1.B no hydrogen 3.110 N/A ILE 59.A N ILE 55.A O no hydrogen 2.941 N/A LYS 60.A N LEU 56.A O no hydrogen 2.990 N/A LYS 60.A NZ ASN 64.A OD1 no hydrogen 2.686 N/A GLN 61.A N ASN 57.A O no hydrogen 2.957 N/A GLN 61.A NE2 GLU 62.A OE2 no hydrogen 2.886 N/A GLU 62.A N TRP 58.A O no hydrogen 2.835 N/A ILE 63.A N ILE 59.A O no hydrogen 2.833 N/A ASN 64.A N ILE 59.A O no hydrogen 2.870 N/A ALA 68.A N VAL 40.A O no hydrogen 2.825 N/A ALA 70.A N ALA 92.A O no hydrogen 2.922 N/A VAL 71.A N VAL 42.A O no hydrogen 2.902 N/A VAL 72.A N TYR 94.A O no hydrogen 3.011 N/A THR 73.A N ASP 44.A OD1 no hydrogen 2.822 N/A THR 73.A OG1 ASP 44.A OD1 no hydrogen 2.913 N/A THR 73.A OG1 ASP 44.A OD2 no hydrogen 3.112 N/A ALA 75.A N ASP 146.A OD2 no hydrogen 2.907 N/A HIS 76.A N HIS 74.A O no hydrogen 3.032 N/A HIS 76.A NE2 ASP 177.A OD2.A no hydrogen 2.604 N/A HIS 76.A NE2 ASP 177.A OD2.B no hydrogen 2.970 N/A GLN 77.A NE2 TRP 47.A O no hydrogen 3.436 N/A LYS 79.A N HIS 76.A O no hydrogen 3.061 N/A LYS 79.A NZ ASP 44.A OD2 no hydrogen 2.746 N/A LYS 79.A NZ SER 203.A OG no hydrogen 2.920 N/A MET 80.A N HIS 76.A O no hydrogen 2.914 N/A GLY 81.A N GLN 77.A O no hydrogen 2.847 N/A GLY 82.A N THR 45.A OG1 no hydrogen 2.976 N/A MET 83.A N MET 80.A O no hydrogen 3.367 N/A ALA 85.A N ASP 49.A OD1 no hydrogen 3.084 N/A LEU 86.A N GLY 82.A O no hydrogen 3.265 N/A HIS 87.A N MET 83.A O no hydrogen 2.973 N/A HIS 87.A NE2 THR 93.A OG1 no hydrogen 2.703 N/A ALA 88.A N ASP 84.A O no hydrogen 2.841 N/A ALA 89.A N ALA 85.A O no hydrogen 3.102 N/A GLY 90.A N HIS 87.A O no hydrogen 3.001 N/A ILE 91.A N.A LEU 86.A O no hydrogen 3.019 N/A ILE 91.A N.B LEU 86.A O no hydrogen 3.011 N/A THR 93.A OG1 HIS 87.A NE2 no hydrogen 2.703 N/A TYR 94.A N ALA 70.A O no hydrogen 2.906 N/A ALA 95.A N HIS 113.A O no hydrogen 3.125 N/A ASN 96.A ND2 ASP 146.A O no hydrogen 3.044 N/A ALA 97.A N LEU 115.A O no hydrogen 2.865 N/A LEU 98.A N ASN 96.A OD1 no hydrogen 3.127 N/A SER 99.A OG ASP 146.A OD2 no hydrogen 2.631 N/A ASN 100.A N ASN 96.A O no hydrogen 3.035 N/A ASN 100.A ND2 HIS 113.A O no hydrogen 3.185 N/A ASN 100.A ND2 SER 114.A OG no hydrogen 2.942 N/A GLN 101.A N ALA 97.A O no hydrogen 2.901 N/A LEU 102.A N LEU 98.A O no hydrogen 2.877 N/A GLN 105.A NE2.A GLN 101.A O no hydrogen 3.297 N/A GLU 106.A N LEU 102.A O no hydrogen 3.039 N/A GLU 106.A N ALA 103.A O no hydrogen 2.973 N/A GLY 107.A N PRO 104.A O no hydrogen 3.165 N/A MET 108.A N ALA 103.A O no hydrogen 2.888 N/A ALA 111.A N ASN 100.A OD1 no hydrogen 2.860 N/A GLN 112.A N THR 93.A OG1 no hydrogen 2.880 N/A HIS 113.A N THR 93.A O no hydrogen 2.950 N/A LEU 115.A N ALA 95.A O no hydrogen 2.796 N/A THR 116.A N THR 127.A OG1 no hydrogen 3.239 N/A ALA 118.A N TRP 122.A O no hydrogen 2.941 N/A GLY 121.A N ALA 118.A O no hydrogen 2.930 N/A TRP 122.A N ASN 120.A OD1 no hydrogen 3.071 N/A VAL 123.A N VAL 136.A O no hydrogen 3.157 N/A GLU 124.A N THR 116.A O no hydrogen 2.814 N/A THR 127.A N GLU 124.A O no hydrogen 2.931 N/A THR 127.A OG1 GLU 124.A O no hydrogen 2.832 N/A ALA 128.A N PRO 125.A O no hydrogen 3.002 N/A LEU 134.A N PHE 131.A O no hydrogen 2.985 N/A LYS 135.A N GLY 151.A O no hydrogen 2.883 N/A PHE 137.A N THR 149.A O no hydrogen 2.956 N/A TYR 138.A N GLY 121.A O no hydrogen 2.768 N/A TYR 138.A OH SER 145.A O no hydrogen 2.690 N/A GLY 142.A N THR 144.A O no hydrogen 2.948 N/A THR 144.A N ASN 147.A OD1 no hydrogen 3.156 N/A THR 144.A OG1 ASP 146.A OD1 no hydrogen 2.711 N/A ASN 147.A ND2 GLY 140.A O no hydrogen 2.910 N/A ASN 147.A ND2 ASN 147.A O no hydrogen 2.787 N/A ILE 148.A N THR 73.A O no hydrogen 2.953 N/A THR 149.A N PHE 137.A O no hydrogen 2.874 N/A THR 149.A OG1 PHE 137.A O no hydrogen 2.882 N/A VAL 150.A N PHE 159.A O no hydrogen 3.085 N/A GLY 151.A N LYS 135.A O no hydrogen 2.877 N/A ILE 152.A N ILE 157.A O no hydrogen 3.094 N/A ASP 153.A N PRO 133.A O no hydrogen 2.810 N/A THR 155.A N ILE 152.A O no hydrogen 3.137 N/A THR 155.A OG1 ILE 152.A O no hydrogen 2.744 N/A ILE 157.A N THR 155.A OG1 no hydrogen 2.943 N/A ALA 158.A N MET 199.A O no hydrogen 3.046 N/A PHE 159.A N VAL 150.A O no hydrogen 2.767 N/A GLY 160.A N VAL 201.A O no hydrogen 2.844 N/A CYS 162.A SG ASP 78.A OD2 no hydrogen 3.458 N/A CYS 162.A SG SER 203.A OG no hydrogen 3.096 N/A CYS 162.A SG HIS 204.A NE2 no hydrogen 3.607 N/A LEU 163.A N GLY 160.A O no hydrogen 3.243 N/A LYS 165.A N THR 216.A OG1 no hydrogen 2.893 N/A LYS 165.A NZ.A CYS 162.A O no hydrogen 2.783 N/A SER 167.A N ASP 208.A OD2 no hydrogen 2.902 N/A SER 167.A OG ASP 208.A OD1 no hydrogen 3.538 N/A SER 167.A OG ASP 208.A OD2 no hydrogen 2.685 N/A LYS 168.A N ASP 166.A OD1.A no hydrogen 2.974 N/A LYS 168.A N ASP 166.A OD2.B no hydrogen 2.862 N/A ALA 169.A N ASP 166.A O no hydrogen 3.038 N/A GLY 173.A N SER 171.A OG no hydrogen 3.070 N/A GLY 176.A N ASN 174.A OD1.A no hydrogen 3.003 N/A ALA 178.A N LEU 175.A O no hydrogen 3.022 N/A ASP 179.A N GLY 142.A O no hydrogen 2.869 N/A HIS 182.A N ASP 179.A OD1 no hydrogen 3.003 N/A HIS 182.A ND1 ASP 179.A OD2 no hydrogen 2.611 N/A TYR 183.A OH LEU 163.A O no hydrogen 2.717 N/A SER 186.A N HIS 182.A O no hydrogen 3.040 N/A SER 186.A OG PRO 139.A O no hydrogen 3.401 N/A SER 186.A OG PRO 141.A O no hydrogen 2.699 N/A SER 186.A OG HIS 182.A O no hydrogen 3.134 N/A ALA 187.A N TYR 183.A O no hydrogen 2.924 N/A ARG 188.A N ALA 184.A O no hydrogen 3.011 N/A ARG 188.A NH1 ASP 221.A OD1 no hydrogen 2.826 N/A ARG 188.A NH2 ASP 221.A OD2 no hydrogen 2.863 N/A ALA 189.A N ALA 185.A O no hydrogen 2.832 N/A PHE 190.A N SER 186.A O no hydrogen 3.053 N/A GLY 191.A N ALA 187.A O no hydrogen 3.251 N/A ALA 192.A N ARG 188.A O no hydrogen 2.996 N/A ALA 193.A N ALA 189.A O no hydrogen 2.907 N/A PHE 194.A N PHE 190.A O no hydrogen 3.334 N/A ALA 197.A N PHE 194.A O no hydrogen 3.198 N/A SER 198.A N ASP 156.A O no hydrogen 2.920 N/A MET 199.A N ASP 156.A O no hydrogen 2.991 N/A ILE 200.A N ASP 208.A O no hydrogen 2.799 N/A VAL 201.A N ALA 158.A O no hydrogen 2.926 N/A SER 203.A N GLY 161.A O no hydrogen 2.991 N/A HIS 204.A ND1 ALA 28.A O no hydrogen 2.773 N/A SER 205.A OG ASP 166.A OD2.A no hydrogen 2.602 N/A ASP 208.A N ILE 200.A O no hydrogen 2.938 N/A SER 209.A N ASP 208.A OD1 no hydrogen 2.799 N/A ARG 210.A NH1 PHE 194.A O no hydrogen 2.777 N/A ARG 210.A NH1 ALA 197.A O no hydrogen 2.854 N/A ARG 210.A NH2 GLY 191.A O no hydrogen 2.868 N/A ALA 211.A N SER 209.A OG no hydrogen 3.059 N/A ALA 212.A N SER 209.A O no hydrogen 3.112 N/A ILE 213.A N ARG 210.A O no hydrogen 2.903 N/A THR 214.A N ARG 210.A O no hydrogen 3.497 N/A THR 214.A OG1 ALA 211.A O no hydrogen 3.305 N/A HIS 215.A N ALA 211.A O no hydrogen 2.914 N/A HIS 215.A NE2 ALA 169.A O no hydrogen 2.891 N/A THR 216.A N ALA 212.A O no hydrogen 2.956 N/A THR 216.A OG1 ALA 212.A O no hydrogen 2.785 N/A ALA 217.A N ILE 213.A O no hydrogen 2.983 N/A ARG 218.A N THR 214.A O no hydrogen 2.991 N/A MET 219.A N HIS 215.A O no hydrogen 3.005 N/A ALA 220.A N THR 216.A O no hydrogen 2.938 N/A ASP 221.A N ALA 217.A O no hydrogen 2.830 N/A LYS 222.A N MET 219.A O no hydrogen 3.146 N/A LEU 223.A N ALA 220.A O no hydrogen 3.064 N/A ARG 224.A NE.A GLU 181.A O no hydrogen 3.015 N/A