Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6a4u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 4.A N SER 2.A OG no hydrogen 3.102 N/A ARG 5.A N SER 2.A O no hydrogen 3.066 N/A ARG 5.A NE TYR 8.A O no hydrogen 2.931 N/A ARG 5.A NH1 TYR 8.A O no hydrogen 2.847 N/A ARG 5.A NH1 GLU 13.A OE1 no hydrogen 2.792 N/A ARG 5.A NH2 GLU 13.A OE1 no hydrogen 2.887 N/A ASN 7.A ND2 ASN 121.A O no hydrogen 2.990 N/A TYR 8.A OH GLN 69.A OE1 no hydrogen 2.683 N/A ASP 11.A N HIS 9.A ND1 no hydrogen 2.908 N/A CYS 12.A SG ASN 120.A OD1 no hydrogen 3.880 N/A GLU 13.A N HIS 9.A O no hydrogen 3.047 N/A ALA 14.A N GLU 10.A O no hydrogen 2.918 N/A SER 15.A N ASP 11.A O no hydrogen 2.978 N/A SER 15.A OG.A ASP 11.A O no hydrogen 3.005 N/A ILE 16.A N CYS 12.A O no hydrogen 2.893 N/A ASN 17.A N GLU 13.A O no hydrogen 3.197 N/A ASN 17.A ND2 ARG 75.A O no hydrogen 3.072 N/A LYS 18.A N ALA 14.A O no hydrogen 3.081 N/A LYS 18.A NZ.C GLN 79.A OE1.B no hydrogen 2.898 N/A GLN 19.A N SER 15.A O no hydrogen 2.873 N/A GLN 19.A NE2.A GLU 23.A OE2 no hydrogen 3.029 N/A GLN 19.A NE2.A SER 109.A OG.B no hydrogen 3.270 N/A GLN 19.A NE2.B SER 15.A O no hydrogen 3.206 N/A GLN 19.A NE2.B SER 15.A OG.B no hydrogen 3.097 N/A ILE 20.A N ILE 16.A O no hydrogen 2.880 N/A ASN 21.A N ASN 17.A O no hydrogen 3.306 N/A ASN 21.A ND2 GLN 80.A O no hydrogen 2.899 N/A MET 22.A N LYS 18.A O no hydrogen 3.065 N/A GLU 23.A N GLN 19.A O no hydrogen 2.909 N/A LEU 24.A N ILE 20.A O no hydrogen 2.990 N/A TYR 25.A N ASN 21.A O no hydrogen 2.830 N/A ALA 26.A N MET 22.A O no hydrogen 2.879 N/A SER 27.A N GLU 23.A O no hydrogen 2.894 N/A SER 27.A OG.A SER 55.A O no hydrogen 2.802 N/A SER 27.A OG.A SER 55.A OG no hydrogen 3.125 N/A SER 27.A OG.B LEU 24.A O no hydrogen 2.587 N/A TYR 28.A N LEU 24.A O no hydrogen 2.975 N/A VAL 29.A N TYR 25.A O no hydrogen 2.908 N/A TYR 30.A N ALA 26.A O no hydrogen 3.017 N/A TYR 30.A OH GLU 103.A OE2 no hydrogen 2.661 N/A LEU 31.A N SER 27.A O no hydrogen 2.935 N/A SER 32.A N TYR 28.A O no hydrogen 2.936 N/A MET 33.A N VAL 29.A O no hydrogen 2.975 N/A ALA 34.A N TYR 30.A O no hydrogen 2.865 N/A TYR 35.A N LEU 31.A O no hydrogen 3.226 N/A TYR 36.A N SER 32.A O no hydrogen 2.946 N/A TYR 36.A OH GLY 90.A O no hydrogen 2.668 N/A PHE 37.A N MET 33.A O no hydrogen 3.040 N/A GLU 38.A N TYR 35.A O no hydrogen 3.020 N/A ARG 39.A N TYR 36.A O no hydrogen 3.115 N/A ARG 39.A NE ASP 41.A OD1 no hydrogen 2.877 N/A ARG 39.A NH1 GLU 88.A OE2 no hydrogen 2.867 N/A ARG 39.A NH2 ASP 41.A OD1 no hydrogen 3.318 N/A ARG 39.A NH2 ASP 41.A OD2 no hydrogen 2.840 N/A ARG 39.A NH2 GLU 88.A OE2 no hydrogen 3.519 N/A VAL 42.A N ARG 39.A O no hydrogen 2.962 N/A ALA 43.A N ARG 39.A O no hydrogen 2.889 N/A LEU 44.A N PHE 37.A O no hydrogen 2.939 N/A GLY 46.A N ASP 165.A OD2 no hydrogen 3.311 N/A PHE 47.A N ASP 165.A OD1 no hydrogen 2.881 N/A ALA 48.A N LEU 44.A O no hydrogen 2.937 N/A LYS 49.A N PRO 45.A O no hydrogen 2.962 N/A LYS 49.A NZ.A GLU 53.A OE2 no hydrogen 2.412 N/A LYS 49.A NZ.B GLU 53.A OE2 no hydrogen 2.903 N/A PHE 50.A N GLY 46.A O no hydrogen 2.948 N/A PHE 51.A N PHE 47.A O no hydrogen 2.983 N/A LYS 52.A N ALA 48.A O no hydrogen 2.857 N/A LYS 52.A NZ.A GLU 38.A OE2.A no hydrogen 2.619 N/A LYS 52.A NZ.A GLU 38.A OE2.B no hydrogen 3.352 N/A GLU 53.A N LYS 49.A O no hydrogen 2.970 N/A SER 54.A N PHE 50.A O no hydrogen 2.968 N/A SER 54.A OG PHE 50.A O no hydrogen 2.855 N/A SER 55.A N PHE 51.A O no hydrogen 2.835 N/A SER 55.A OG SER 27.A O no hydrogen 2.763 N/A SER 55.A OG SER 27.A OG.A no hydrogen 3.125 N/A ASP 56.A N LYS 52.A O no hydrogen 3.019 N/A GLU 57.A N GLU 53.A O no hydrogen 2.954 N/A GLU 58.A N SER 54.A O no hydrogen 2.996 N/A ARG 59.A N SER 55.A O no hydrogen 3.073 N/A ARG 59.A NH1.A ASP 56.A OD1 no hydrogen 3.055 N/A ARG 59.A NH2.A ASP 56.A OD1 no hydrogen 3.385 N/A GLU 60.A N ASP 56.A O no hydrogen 2.936 N/A HIS 61.A N GLU 57.A O no hydrogen 2.942 N/A HIS 61.A ND1.B GLU 57.A O no hydrogen 2.760 N/A HIS 61.A NE2.A GLU 57.A OE2.B no hydrogen 3.133 N/A ALA 62.A N GLU 58.A O no hydrogen 2.930 N/A GLN 63.A N ARG 59.A O no hydrogen 2.943 N/A THR 64.A N GLU 60.A O no hydrogen 2.883 N/A THR 64.A OG1 GLU 60.A O no hydrogen 3.193 N/A PHE 65.A N HIS 61.A O no hydrogen 3.203 N/A MET 66.A N ALA 62.A O no hydrogen 3.015 N/A LYS 67.A N GLN 63.A O no hydrogen 2.878 N/A TYR 68.A N THR 64.A O no hydrogen 2.889 N/A TYR 68.A OH HIS 124.A ND1 no hydrogen 2.715 N/A GLN 69.A N PHE 65.A O no hydrogen 2.888 N/A GLN 69.A NE2 GLU 13.A O no hydrogen 3.053 N/A GLN 69.A NE2 ASN 17.A OD1 no hydrogen 3.038 N/A ASN 70.A N MET 66.A O no hydrogen 3.175 N/A LYS 71.A N LYS 67.A O no hydrogen 2.894 N/A ARG 72.A N TYR 68.A O no hydrogen 3.039 N/A ARG 72.A NH1 TYR 68.A OH no hydrogen 2.866 N/A ARG 72.A NH1 ASP 122.A OD1 no hydrogen 3.063 N/A ARG 72.A NH1 ASP 122.A OD2 no hydrogen 2.984 N/A ARG 72.A NH2 GLN 6.A O no hydrogen 2.993 N/A ARG 72.A NH2 ASN 7.A O no hydrogen 2.946 N/A ARG 72.A NH2 ASP 122.A OD2 no hydrogen 3.274 N/A GLY 73.A N ASN 70.A O no hydrogen 3.135 N/A GLY 74.A N GLN 69.A O no hydrogen 2.900 N/A ARG 75.A N GLU 13.A OE2 no hydrogen 2.917 N/A ARG 75.A NH1.A GLY 74.A O no hydrogen 2.842 N/A VAL 77.A N ASN 17.A OD1 no hydrogen 3.146 N/A GLN 80.A N GLN 80.A OE1.A no hydrogen 2.627 N/A TRP 89.A NE1 SER 32.A OG no hydrogen 2.949 N/A THR 91.A N GLU 94.A OE2 no hydrogen 2.904 N/A GLY 92.A N GLU 161.A OE2 no hydrogen 2.973 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.004 N/A ALA 95.A N THR 91.A O no hydrogen 2.989 N/A LEU 96.A N GLY 92.A O no hydrogen 2.948 N/A GLN 97.A N LEU 93.A O no hydrogen 2.840 N/A ALA 98.A N GLU 94.A O no hydrogen 2.954 N/A ALA 99.A N ALA 95.A O no hydrogen 2.855 N/A LEU 100.A N LEU 96.A O no hydrogen 2.826 N/A ASP 101.A N GLN 97.A O no hydrogen 3.069 N/A LEU 102.A N ALA 98.A O no hydrogen 2.948 N/A GLU 103.A N ALA 99.A O no hydrogen 2.811 N/A LYS 104.A N LEU 100.A O no hydrogen 3.003 N/A GLN 105.A N ASP 101.A O no hydrogen 2.911 N/A VAL 106.A N LEU 102.A O no hydrogen 2.869 N/A ASN 107.A N GLU 103.A O no hydrogen 2.886 N/A GLN 108.A N LYS 104.A O no hydrogen 2.924 N/A GLN 108.A NE2.A GLU 112.A OE2.A no hydrogen 2.874 N/A SER 109.A N GLN 105.A O no hydrogen 3.083 N/A SER 109.A OG.A GLN 19.A OE1.A no hydrogen 2.562 N/A SER 109.A OG.A GLN 19.A OE1.B no hydrogen 2.676 N/A SER 109.A OG.B GLN 19.A OE1.A no hydrogen 3.180 N/A SER 109.A OG.B GLN 19.A OE1.B no hydrogen 3.488 N/A SER 109.A OG.B VAL 106.A O no hydrogen 2.532 N/A SER 109.A OG.C GLN 105.A O no hydrogen 3.305 N/A LEU 110.A N VAL 106.A O no hydrogen 2.887 N/A LEU 111.A N ASN 107.A O no hydrogen 2.865 N/A GLU 112.A N GLN 108.A O no hydrogen 2.912 N/A LEU 113.A N SER 109.A O no hydrogen 2.919 N/A HIS 114.A N LEU 110.A O no hydrogen 2.860 N/A HIS 114.A NE2 GLU 130.A OE2 no hydrogen 2.701 N/A SER 115.A N LEU 111.A O no hydrogen 2.953 N/A SER 115.A OG.B LEU 111.A O no hydrogen 3.231 N/A THR 116.A N GLU 112.A O no hydrogen 2.989 N/A THR 116.A OG1 GLU 112.A O no hydrogen 3.221 N/A ALA 117.A N LEU 113.A O no hydrogen 2.879 N/A SER 118.A N HIS 114.A O no hydrogen 2.821 N/A SER 118.A OG.A HIS 114.A O no hydrogen 2.980 N/A SER 118.A OG.C HIS 114.A O no hydrogen 3.209 N/A SER 118.A OG.C SER 115.A O no hydrogen 2.854 N/A GLY 119.A N SER 115.A O no hydrogen 2.910 N/A ASN 120.A N THR 116.A O no hydrogen 3.079 N/A ASN 121.A N SER 118.A O no hydrogen 2.983 N/A ASP 122.A N ALA 117.A O no hydrogen 3.019 N/A HIS 124.A ND1 TYR 68.A OH no hydrogen 2.715 N/A LEU 125.A N ASP 122.A OD1 no hydrogen 3.036 N/A THR 126.A N ASP 122.A O no hydrogen 3.055 N/A THR 126.A OG1 PRO 123.A O no hydrogen 3.189 N/A LYS 127.A N PRO 123.A O no hydrogen 2.974 N/A LYS 127.A NZ.A ASP 131.A OD2 no hydrogen 2.949 N/A LYS 127.A NZ.B ASP 131.A OD2 no hydrogen 2.599 N/A LEU 128.A N HIS 124.A O no hydrogen 3.060 N/A LEU 129.A N LEU 125.A O no hydrogen 2.949 N/A GLU 130.A N THR 126.A O no hydrogen 2.912 N/A ASP 131.A N LYS 127.A O no hydrogen 2.876 N/A GLU 132.A N LEU 128.A O no hydrogen 2.810 N/A TYR 133.A N LEU 129.A O no hydrogen 3.152 N/A TYR 133.A OH HIS 61.A O no hydrogen 2.744 N/A LEU 134.A N LEU 129.A O no hydrogen 2.716 N/A GLU 135.A N GLU 130.A O no hydrogen 3.295 N/A GLN 137.A N TYR 133.A O no hydrogen 2.906 N/A GLN 137.A NE2 GLU 103.A O no hydrogen 2.952 N/A VAL 138.A N LEU 134.A O no hydrogen 3.113 N/A ASP 139.A N GLU 135.A O no hydrogen 3.161 N/A SER 140.A N GLU 136.A O no hydrogen 2.799 N/A SER 140.A OG.A GLU 103.A OE1 no hydrogen 2.681 N/A SER 140.A OG.B GLU 136.A O no hydrogen 3.083 N/A SER 140.A OG.B GLU 136.A OE2.A no hydrogen 2.583 N/A ILE 141.A N GLN 137.A O no hydrogen 2.958 N/A LYS 142.A N VAL 138.A O no hydrogen 2.986 N/A LYS 142.A NZ ASP 146.A OD1 no hydrogen 2.806 N/A LYS 142.A NZ ASP 146.A OD2 no hydrogen 3.170 N/A LYS 143.A N ASP 139.A O no hydrogen 2.967 N/A ILE 144.A N SER 140.A O no hydrogen 2.935 N/A GLY 145.A N ILE 141.A O no hydrogen 2.892 N/A ASP 146.A N LYS 142.A O no hydrogen 2.889 N/A MET 147.A N LYS 143.A O no hydrogen 2.922 N/A ILE 148.A N ILE 144.A O no hydrogen 2.879 N/A THR 149.A N GLY 145.A O no hydrogen 3.065 N/A THR 149.A OG1 GLY 145.A O no hydrogen 3.285 N/A LYS 150.A N ASP 146.A O no hydrogen 2.876 N/A LEU 151.A N MET 147.A O no hydrogen 2.865 N/A LYS 152.A N ILE 148.A O no hydrogen 2.918 N/A ARG 153.A N THR 149.A O no hydrogen 2.985 N/A ALA 154.A N LYS 150.A O no hydrogen 2.831 N/A GLY 155.A N.A LEU 151.A O no hydrogen 2.908 N/A GLY 155.A N.B LEU 151.A O no hydrogen 2.814 N/A TYR 162.A N GLY 158.A O no hydrogen 3.047 N/A MET 163.A N LEU 159.A O no hydrogen 2.841 N/A PHE 164.A N GLY 160.A O no hydrogen 2.883 N/A ASP 165.A N GLU 161.A O no hydrogen 2.927 N/A LYS 166.A N TYR 162.A O no hydrogen 3.156 N/A LYS 166.A NZ ASP 165.A OD2 no hydrogen 2.864 N/A GLU 167.A N MET 163.A O no hydrogen 3.063 N/A LEU 168.A N PHE 164.A O no hydrogen 2.962 N/A ASN 169.A N ASP 165.A O no hydrogen 2.976 N/A