Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4buu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG HIS 91.A ND1 no hydrogen 2.851 N/A THR 3.A N SER 1.A OG no hydrogen 2.972 N/A THR 3.A OG1 ILE 90.A O no hydrogen 2.695 N/A ILE 4.A N CYS 51.A O no hydrogen 2.917 N/A ILE 6.A N LYS 49.A O no hydrogen 2.970 N/A LEU 8.A N ILE 47.A O no hydrogen 2.943 N/A ASP 11.A N SER 9.A OG no hydrogen 3.080 N/A ASP 12.A N SER 9.A O no hydrogen 2.904 N/A GLU 14.A N ASP 12.A OD1 no hydrogen 2.933 N/A GLN 16.A N ASP 12.A O no hydrogen 3.090 N/A GLN 16.A NE2 PRO 10.A O no hydrogen 3.047 N/A SER 17.A N LYS 13.A O no hydrogen 2.910 N/A SER 17.A OG LYS 13.A O no hydrogen 3.313 N/A SER 17.A OG GLU 14.A O no hydrogen 3.389 N/A VAL 18.A N GLU 14.A O no hydrogen 3.150 N/A GLU 19.A N PHE 15.A O no hydrogen 2.849 N/A GLU 20.A N GLN 16.A O no hydrogen 2.947 N/A GLU 21.A N SER 17.A O no hydrogen 3.121 N/A MET 22.A N VAL 18.A O no hydrogen 2.978 N/A GLN 23.A N GLU 19.A O no hydrogen 2.896 N/A GLN 23.A NE2 GLU 19.A OE2 no hydrogen 3.029 N/A GLN 23.A NE2 TYR 42.A O no hydrogen 2.900 N/A SER 24.A N GLU 20.A O no hydrogen 2.928 N/A SER 24.A OG GLU 20.A O no hydrogen 2.749 N/A THR 25.A OG1 GLU 21.A O no hydrogen 2.762 N/A THR 25.A OG1 MET 22.A O no hydrogen 3.472 N/A THR 25.A OG1 GLU 113.A O no hydrogen 3.465 N/A THR 25.A OG1 SER 115.A OG no hydrogen 3.279 N/A VAL 26.A N GLN 23.A O no hydrogen 3.402 N/A ARG 27.A N SER 116.A OG no hydrogen 3.014 N/A ARG 27.A NE ASN 114.A OD1 no hydrogen 2.806 N/A ARG 27.A NH1 GLU 28.A O no hydrogen 2.966 N/A HIS 29.A NE2 SER 116.A OG no hydrogen 2.741 N/A GLY 32.A N HIS 29.A O no hydrogen 3.064 N/A GLY 33.A N ASP 31.A OD1 no hydrogen 2.878 N/A HIS 34.A N ASP 31.A O no hydrogen 3.112 N/A ALA 35.A N ASP 31.A OD2 no hydrogen 2.867 N/A GLY 37.A N GLY 33.A O no hydrogen 2.785 N/A ILE 38.A N SER 138.A OG no hydrogen 3.110 N/A TYR 42.A N GLN 23.A OE1 no hydrogen 2.977 N/A TYR 42.A OH SER 115.A OG no hydrogen 2.838 N/A ASN 43.A N GLN 204.A O no hydrogen 2.839 N/A ASN 43.A ND2 GLN 204.A OE1 no hydrogen 3.117 N/A LEU 45.A N THR 202.A O no hydrogen 2.814 N/A LYS 46.A N THR 202.A O no hydrogen 3.221 N/A LYS 46.A NZ ASP 7.A OD2 no hydrogen 2.647 N/A GLN 48.A N LEU 200.A O no hydrogen 2.878 N/A GLN 48.A NE2 ASP 7.A OD1 no hydrogen 3.429 N/A LYS 49.A N ILE 6.A O no hydrogen 2.787 N/A LYS 49.A NZ GLU 14.A OE2 no hydrogen 2.868 N/A VAL 50.A N GLU 198.A O no hydrogen 2.894 N/A CYS 51.A N ILE 4.A O no hydrogen 2.844 N/A CYS 51.A SG LYS 49.A O no hydrogen 3.916 N/A ASN 52.A N TYR 196.A OH no hydrogen 3.085 N/A ASN 52.A ND2 SER 1.A O no hydrogen 3.125 N/A ASN 52.A ND2 THR 3.A OG1 no hydrogen 2.874 N/A LYS 53.A NZ GLU 57.A OE1 no hydrogen 3.223 N/A LYS 53.A NZ GLU 57.A OE2 no hydrogen 2.632 N/A LEU 55.A N ASN 52.A OD1 no hydrogen 2.935 N/A TRP 56.A N ASN 52.A O no hydrogen 2.937 N/A GLU 57.A N LYS 53.A O no hydrogen 2.962 N/A ARG 58.A N LYS 54.A O no hydrogen 2.950 N/A ARG 58.A NH1 PHE 94.A O no hydrogen 3.038 N/A ARG 58.A NH2 PHE 94.A O no hydrogen 2.876 N/A TYR 59.A N LEU 55.A O no hydrogen 3.037 N/A TYR 59.A OH GLU 76.A OE1 no hydrogen 2.646 N/A TYR 59.A OH THR 152.A OG1 no hydrogen 2.770 N/A THR 60.A N TRP 56.A O no hydrogen 2.868 N/A THR 60.A OG1 TRP 56.A O no hydrogen 3.415 N/A THR 60.A OG1 GLU 57.A O no hydrogen 3.286 N/A HIS 61.A N GLU 57.A O no hydrogen 2.912 N/A ARG 62.A N ARG 58.A O no hydrogen 3.243 N/A ARG 62.A NE GLN 194.A OE1 no hydrogen 3.010 N/A ARG 62.A NH1 GLU 65.A OE1 no hydrogen 3.005 N/A ARG 62.A NH2 GLN 194.A OE1 no hydrogen 3.101 N/A ARG 63.A N TYR 59.A O no hydrogen 2.815 N/A ARG 63.A NH1 GLU 76.A OE1 no hydrogen 2.863 N/A LYS 64.A N THR 60.A O no hydrogen 3.056 N/A LYS 64.A NZ GLU 68.A OE2 no hydrogen 2.805 N/A GLU 65.A N HIS 61.A O no hydrogen 3.187 N/A VAL 66.A N ARG 62.A O no hydrogen 2.942 N/A SER 67.A N ARG 63.A O no hydrogen 2.858 N/A SER 67.A OG.B ARG 63.A O no hydrogen 2.711 N/A SER 67.A OG.C ARG 63.A O no hydrogen 3.248 N/A SER 67.A OG.C LYS 64.A O no hydrogen 2.898 N/A GLU 68.A N LYS 64.A O no hydrogen 2.954 N/A GLU 69.A N GLU 65.A O no hydrogen 3.235 N/A GLU 69.A N VAL 66.A O no hydrogen 2.955 N/A ASN 70.A N SER 67.A O no hydrogen 2.980 N/A ASN 70.A ND2 HIS 73.A O no hydrogen 2.879 N/A ASN 72.A N SER 67.A O no hydrogen 2.799 N/A HIS 73.A N ASN 70.A O no hydrogen 2.892 N/A ASN 75.A ND2 GLY 154.A O no hydrogen 2.945 N/A ARG 77.A N VAL 151.A O no hydrogen 2.829 N/A ARG 77.A NE ASN 75.A OD1 no hydrogen 3.294 N/A ARG 77.A NH2 ASN 75.A OD1 no hydrogen 2.877 N/A LEU 79.A N CYS 149.A O no hydrogen 2.856 N/A PHE 80.A N ALA 112.A O no hydrogen 2.859 N/A HIS 81.A N LEU 147.A O no hydrogen 2.903 N/A HIS 81.A ND1 TYR 110.A O no hydrogen 2.734 N/A PHE 85.A N SER 83.A OG no hydrogen 2.955 N/A VAL 86.A N SER 83.A O no hydrogen 3.394 N/A ASN 87.A ND2 GLN 145.A OE1 no hydrogen 3.032 N/A ILE 89.A N PHE 85.A O no hydrogen 2.932 N/A ILE 90.A N VAL 86.A O no hydrogen 3.157 N/A HIS 91.A N ALA 88.A O no hydrogen 3.241 N/A HIS 91.A ND1 SER 1.A OG no hydrogen 2.851 N/A LYS 92.A N ALA 88.A O no hydrogen 2.876 N/A GLY 93.A N ILE 89.A O no hydrogen 2.823 N/A ASP 95.A N HIS 98.A ND1 no hydrogen 3.117 N/A GLU 96.A N GLU 96.A OE1 no hydrogen 2.729 N/A ARG 97.A N ASP 95.A OD1 no hydrogen 2.948 N/A HIS 98.A N ASP 95.A O no hydrogen 2.756 N/A ALA 99.A N GLU 96.A O no hydrogen 3.300 N/A TYR 100.A N GLY 108.A O no hydrogen 2.824 N/A GLY 103.A N TYR 100.A O no hydrogen 3.146 N/A PHE 105.A N TYR 110.A OH no hydrogen 2.899 N/A GLY 106.A N GLY 103.A O no hydrogen 2.996 N/A ILE 109.A N ILE 189.A O no hydrogen 2.833 N/A TYR 110.A OH GLY 106.A O no hydrogen 2.638 N/A PHE 111.A N TYR 187.A O no hydrogen 2.857 N/A ALA 112.A N PHE 80.A O no hydrogen 2.926 N/A GLU 113.A N ALA 185.A O no hydrogen 3.142 N/A ASN 114.A ND2 THR 25.A O no hydrogen 2.871 N/A SER 115.A N THR 25.A OG1 no hydrogen 3.046 N/A SER 115.A OG MET 22.A O no hydrogen 2.757 N/A SER 115.A OG THR 25.A OG1 no hydrogen 3.279 N/A SER 115.A OG TYR 42.A OH no hydrogen 2.838 N/A SER 116.A OG ARG 27.A O no hydrogen 3.358 N/A SER 116.A OG HIS 29.A NE2 no hydrogen 2.741 N/A LYS 117.A N ASN 114.A O no hydrogen 2.994 N/A LYS 117.A NZ GLN 120.A OE1 no hydrogen 2.760 N/A SER 118.A N ASN 114.A O no hydrogen 3.433 N/A ASN 119.A N SER 115.A O no hydrogen 2.935 N/A ASN 119.A ND2 GLY 36.A O no hydrogen 2.911 N/A GLN 120.A N LYS 117.A O no hydrogen 3.068 N/A TYR 121.A N SER 118.A O no hydrogen 2.950 N/A VAL 122.A N ASN 119.A O no hydrogen 3.447 N/A GLY 124.A N TYR 121.A O no hydrogen 3.036 N/A GLY 127.A N GLY 124.A O no hydrogen 2.856 N/A GLY 128.A N ILE 125.A O no hydrogen 2.993 N/A GLY 130.A N GLY 127.A O no hydrogen 2.894 N/A CYS 131.A N ASP 136.A O no hydrogen 3.243 N/A CYS 131.A SG HIS 134.A ND1 no hydrogen 3.570 N/A CYS 131.A SG ASP 136.A O no hydrogen 3.819 N/A LYS 135.A N CYS 131.A O no hydrogen 2.875 N/A ARG 137.A NE HIS 34.A O no hydrogen 2.862 N/A ARG 137.A NH1 GLY 128.A O no hydrogen 3.097 N/A SER 138.A N ASP 136.A OD1 no hydrogen 2.917 N/A SER 138.A OG TYR 140.A OH no hydrogen 3.202 N/A CYS 139.A N ASP 136.A O no hydrogen 3.115 N/A CYS 139.A SG HIS 134.A ND1 no hydrogen 3.611 N/A TYR 140.A OH ILE 38.A O no hydrogen 2.590 N/A CYS 142.A SG HIS 134.A ND1 no hydrogen 3.412 N/A ARG 144.A N TYR 203.A O no hydrogen 2.805 N/A ARG 144.A NH1 GLY 36.A O no hydrogen 3.019 N/A ARG 144.A NH1 ASN 119.A OD1 no hydrogen 3.021 N/A ARG 144.A NH2 ARG 137.A O no hydrogen 2.989 N/A ARG 144.A NH2 CYS 139.A O no hydrogen 3.148 N/A GLN 145.A NE2 THR 202.A OG1 no hydrogen 3.066 N/A LEU 146.A N ILE 201.A O no hydrogen 2.971 N/A LEU 147.A N HIS 81.A O no hydrogen 2.908 N/A PHE 148.A N TYR 199.A O no hydrogen 2.898 N/A CYS 149.A N LEU 79.A O no hydrogen 2.757 N/A ARG 150.A N TYR 196.A O no hydrogen 2.934 N/A ARG 150.A NE GLU 198.A OE1 no hydrogen 2.816 N/A ARG 150.A NH1 GLU 76.A OE2 no hydrogen 2.870 N/A ARG 150.A NH2 GLU 198.A OE2 no hydrogen 2.921 N/A VAL 151.A N ARG 77.A O no hydrogen 2.834 N/A THR 152.A N GLN 194.A O no hydrogen 2.883 N/A THR 152.A OG1 TYR 59.A OH no hydrogen 2.770 N/A LEU 153.A N ASN 75.A O no hydrogen 3.086 N/A GLY 154.A N ALA 74.A O no hydrogen 2.909 N/A LYS 155.A N HIS 171.A ND1 no hydrogen 3.068 N/A SER 156.A OG SER 172.A OG no hydrogen 2.716 N/A SER 156.A OG THR 174.A OG1 no hydrogen 2.688 N/A PHE 157.A N SER 172.A O no hydrogen 2.877 N/A GLN 159.A N THR 174.A O no hydrogen 2.877 N/A SER 161.A N ARG 176.A O no hydrogen 2.948 N/A ALA 164.A N ALA 107.A O no hydrogen 2.840 N/A SER 166.A OG HIS 170.A O no hydrogen 2.646 N/A HIS 170.A N PRO 167.A O no hydrogen 2.972 N/A HIS 170.A ND1 PRO 168.A O no hydrogen 2.896 N/A HIS 171.A N LYS 155.A O no hydrogen 2.757 N/A HIS 171.A NE2 GLU 69.A OE1 no hydrogen 2.746 N/A SER 172.A OG LEU 153.A O no hydrogen 2.704 N/A SER 172.A OG SER 156.A OG no hydrogen 2.716 N/A VAL 173.A N VAL 188.A O no hydrogen 2.976 N/A THR 174.A N PHE 157.A O no hydrogen 2.820 N/A THR 174.A OG1 SER 156.A OG no hydrogen 2.688 N/A GLY 175.A N GLU 186.A O no hydrogen 2.777 N/A ARG 176.A N GLN 159.A O no hydrogen 2.848 N/A SER 178.A N SER 161.A O no hydrogen 2.731 N/A LEU 182.A N ASN 180.A OD1 no hydrogen 2.926 N/A ALA 183.A N ASN 180.A O no hydrogen 3.145 N/A LEU 184.A N ASN 114.A OD1 no hydrogen 2.927 N/A GLU 186.A N GLY 175.A O no hydrogen 3.201 N/A TYR 187.A N PHE 111.A O no hydrogen 2.895 N/A TYR 187.A OH GLU 113.A OE2 no hydrogen 2.646 N/A VAL 188.A N VAL 173.A O no hydrogen 2.886 N/A ILE 189.A N ILE 109.A O no hydrogen 2.998 N/A TYR 190.A OH PHE 105.A O no hydrogen 2.656 N/A ARG 191.A NE.B GLU 193.A OE1 no hydrogen 3.395 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.871 N/A GLN 194.A N ARG 191.A O no hydrogen 3.066 N/A GLN 194.A NE2 THR 152.A O no hydrogen 2.902 N/A GLN 194.A NE2 HIS 171.A O no hydrogen 2.979 N/A ALA 195.A N GLY 192.A O no hydrogen 3.317 N/A TYR 196.A N ARG 150.A O no hydrogen 2.811 N/A TYR 196.A OH VAL 50.A O no hydrogen 2.638 N/A TYR 199.A N PHE 148.A O no hydrogen 3.005 N/A TYR 199.A OH GLU 14.A OE2 no hydrogen 2.513 N/A LEU 200.A N GLN 48.A O no hydrogen 2.858 N/A ILE 201.A N LEU 146.A O no hydrogen 2.873 N/A THR 202.A N LYS 46.A O no hydrogen 2.907 N/A TYR 203.A N ARG 144.A O no hydrogen 2.906 N/A TYR 203.A OH ASN 119.A OD1 no hydrogen 2.715 N/A GLN 204.A N ASN 43.A O no hydrogen 2.926 N/A GLN 204.A NE2 ILE 141.A O no hydrogen 2.780 N/A MET 206.A N ARG 41.A O no hydrogen 3.124 N/A