Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4j21_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A OG1 ILE 89.A O no hydrogen 2.635 N/A ILE 3.A N CYS 50.A O no hydrogen 2.816 N/A ILE 5.A N LYS 48.A O no hydrogen 2.970 N/A LEU 7.A N ILE 46.A O no hydrogen 2.867 N/A ASP 10.A N SER 8.A OG no hydrogen 3.248 N/A ASP 11.A N SER 8.A O no hydrogen 2.789 N/A GLU 13.A N ASP 11.A OD1 no hydrogen 2.995 N/A GLN 15.A N ASP 11.A O no hydrogen 3.184 N/A GLN 15.A NE2 PRO 9.A O no hydrogen 3.018 N/A SER 16.A N LYS 12.A O no hydrogen 2.864 N/A SER 16.A OG LYS 12.A O no hydrogen 3.411 N/A SER 16.A OG GLU 13.A O no hydrogen 3.319 N/A VAL 17.A N GLU 13.A O no hydrogen 3.047 N/A GLU 18.A N PHE 14.A O no hydrogen 2.843 N/A GLU 19.A N GLN 15.A O no hydrogen 2.943 N/A GLU 20.A N SER 16.A O no hydrogen 3.036 N/A MET 21.A N VAL 17.A O no hydrogen 3.112 N/A GLN 22.A N GLU 18.A O no hydrogen 3.038 N/A GLN 22.A NE2 GLU 18.A OE2 no hydrogen 2.906 N/A GLN 22.A NE2 TYR 41.A O no hydrogen 3.002 N/A SER 23.A N GLU 19.A O no hydrogen 2.959 N/A SER 23.A OG GLU 19.A O no hydrogen 2.717 N/A THR 24.A OG1 GLU 20.A O no hydrogen 2.775 N/A THR 24.A OG1 MET 21.A O no hydrogen 3.515 N/A THR 24.A OG1 GLU 112.A O no hydrogen 3.558 N/A VAL 25.A N GLN 22.A O no hydrogen 3.422 N/A ARG 26.A N SER 115.A OG no hydrogen 3.065 N/A ARG 26.A NE ASN 113.A OD1 no hydrogen 2.912 N/A ARG 26.A NH1 GLU 27.A O no hydrogen 3.049 N/A HIS 28.A NE2 SER 115.A OG no hydrogen 2.808 N/A GLY 31.A N HIS 28.A O no hydrogen 2.992 N/A GLY 32.A N ASP 30.A OD1 no hydrogen 2.800 N/A HIS 33.A N ASP 30.A O no hydrogen 2.997 N/A ALA 34.A N ASP 30.A OD2 no hydrogen 3.009 N/A GLY 36.A N GLY 32.A O no hydrogen 2.794 N/A ILE 37.A N SER 137.A OG no hydrogen 2.977 N/A TYR 41.A N GLN 22.A OE1 no hydrogen 2.912 N/A TYR 41.A OH SER 114.A OG no hydrogen 2.689 N/A ASN 42.A N GLN 204.A O no hydrogen 2.755 N/A ASN 42.A ND2 GLN 204.A OE1 no hydrogen 2.894 N/A LEU 44.A N THR 202.A O no hydrogen 2.690 N/A LYS 45.A N THR 202.A O no hydrogen 3.175 N/A LYS 45.A NZ ASP 6.A OD2 no hydrogen 2.894 N/A GLN 47.A N LEU 200.A O no hydrogen 2.913 N/A LYS 48.A N ILE 5.A O no hydrogen 2.894 N/A LYS 48.A NZ GLU 13.A OE2 no hydrogen 2.774 N/A VAL 49.A N GLU 198.A O no hydrogen 2.919 N/A CYS 50.A N ILE 3.A O no hydrogen 2.837 N/A ASN 51.A N TYR 196.A OH no hydrogen 3.124 N/A ASN 51.A ND2 THR 2.A OG1 no hydrogen 2.812 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 2.627 N/A LEU 54.A N ASN 51.A OD1 no hydrogen 2.904 N/A TRP 55.A N ASN 51.A O no hydrogen 2.887 N/A GLU 56.A N LYS 52.A O no hydrogen 2.965 N/A ARG 57.A N LYS 53.A O no hydrogen 3.066 N/A TYR 58.A N LEU 54.A O no hydrogen 3.029 N/A TYR 58.A OH GLU 75.A OE1 no hydrogen 2.689 N/A TYR 58.A OH THR 151.A OG1 no hydrogen 2.868 N/A THR 59.A N TRP 55.A O no hydrogen 2.876 N/A THR 59.A OG1 TRP 55.A O no hydrogen 3.484 N/A THR 59.A OG1 GLU 56.A O no hydrogen 3.408 N/A HIS 60.A N GLU 56.A O no hydrogen 2.967 N/A ARG 61.A N ARG 57.A O no hydrogen 3.115 N/A ARG 61.A NE GLN 194.A OE1 no hydrogen 3.092 N/A ARG 61.A NH2 GLN 194.A OE1 no hydrogen 3.460 N/A ARG 62.A N TYR 58.A O no hydrogen 2.912 N/A ARG 62.A NH1 GLU 75.A OE1 no hydrogen 2.933 N/A LYS 63.A N THR 59.A O no hydrogen 3.185 N/A GLU 64.A N HIS 60.A O no hydrogen 3.455 N/A VAL 65.A N ARG 61.A O no hydrogen 3.020 N/A SER 66.A N ARG 62.A O no hydrogen 2.776 N/A GLU 67.A N LYS 63.A O no hydrogen 3.026 N/A GLU 68.A N GLU 64.A O no hydrogen 3.237 N/A ASN 69.A N VAL 65.A O no hydrogen 3.076 N/A ASN 69.A N SER 66.A O no hydrogen 3.061 N/A ASN 69.A ND2 HIS 72.A O no hydrogen 3.397 N/A ASN 71.A N ASN 69.A O no hydrogen 2.515 N/A HIS 72.A N SER 66.A O no hydrogen 3.358 N/A ASN 74.A ND2 GLY 153.A O no hydrogen 2.899 N/A ARG 76.A N VAL 150.A O no hydrogen 2.889 N/A ARG 76.A NE ASN 74.A OD1 no hydrogen 3.287 N/A ARG 76.A NH1 ASN 74.A OD1 no hydrogen 3.045 N/A LEU 78.A N CYS 148.A O no hydrogen 2.910 N/A PHE 79.A N ALA 111.A O no hydrogen 2.880 N/A HIS 80.A N LEU 146.A O no hydrogen 2.867 N/A HIS 80.A ND1 TYR 109.A O no hydrogen 2.717 N/A PHE 84.A N SER 82.A OG no hydrogen 2.753 N/A ASN 86.A ND2.B GLN 144.A OE1 no hydrogen 3.179 N/A ILE 88.A N PHE 84.A O no hydrogen 2.953 N/A ILE 89.A N VAL 85.A O no hydrogen 3.184 N/A HIS 90.A N ALA 87.A O no hydrogen 3.125 N/A HIS 90.A ND1 ASN 86.A O no hydrogen 3.058 N/A LYS 91.A N ALA 87.A O no hydrogen 2.956 N/A GLY 92.A N ILE 88.A O no hydrogen 2.794 N/A ASP 94.A N HIS 97.A ND1 no hydrogen 2.925 N/A ARG 96.A N ASP 94.A OD1 no hydrogen 3.311 N/A HIS 97.A N ASP 94.A O no hydrogen 2.821 N/A ALA 98.A N GLU 95.A O no hydrogen 3.028 N/A TYR 99.A N GLY 107.A O no hydrogen 2.843 N/A GLY 102.A N TYR 99.A O no hydrogen 3.093 N/A PHE 104.A N TYR 109.A OH no hydrogen 2.865 N/A GLY 105.A N GLY 102.A O no hydrogen 3.267 N/A GLY 107.A N GLY 105.A O no hydrogen 2.869 N/A ILE 108.A N ILE 189.A O no hydrogen 2.875 N/A TYR 109.A OH GLY 105.A O no hydrogen 2.739 N/A PHE 110.A N TYR 187.A O no hydrogen 2.938 N/A ALA 111.A N PHE 79.A O no hydrogen 2.931 N/A GLU 112.A N ALA 185.A O no hydrogen 3.066 N/A ASN 113.A ND2 THR 24.A O no hydrogen 2.921 N/A SER 114.A N THR 24.A OG1 no hydrogen 3.110 N/A SER 114.A OG MET 21.A O no hydrogen 2.722 N/A SER 114.A OG TYR 41.A OH no hydrogen 2.689 N/A SER 115.A OG ARG 26.A O no hydrogen 3.472 N/A SER 115.A OG HIS 28.A NE2 no hydrogen 2.808 N/A LYS 116.A N ASN 113.A O no hydrogen 3.153 N/A LYS 116.A NZ GLN 119.A OE1 no hydrogen 2.930 N/A SER 117.A N ASN 113.A O no hydrogen 3.380 N/A ASN 118.A N SER 114.A O no hydrogen 2.896 N/A ASN 118.A ND2 GLY 35.A O no hydrogen 2.933 N/A GLN 119.A N SER 115.A O no hydrogen 3.336 N/A GLN 119.A N LYS 116.A O no hydrogen 3.127 N/A GLN 119.A NE2 ASP 30.A OD2 no hydrogen 3.125 N/A TYR 120.A N SER 117.A O no hydrogen 2.984 N/A VAL 121.A N ASN 118.A O no hydrogen 3.434 N/A GLY 123.A N TYR 120.A O no hydrogen 2.961 N/A GLY 126.A N GLY 123.A O no hydrogen 2.927 N/A GLY 127.A N ILE 124.A O no hydrogen 3.096 N/A GLY 129.A N GLY 126.A O no hydrogen 2.938 N/A CYS 130.A N ASP 135.A O no hydrogen 3.264 N/A CYS 130.A SG HIS 133.A ND1 no hydrogen 3.667 N/A CYS 130.A SG ASP 135.A O no hydrogen 3.870 N/A LYS 134.A N CYS 130.A O no hydrogen 3.006 N/A LYS 134.A NZ PRO 131.A O no hydrogen 3.434 N/A ARG 136.A NE HIS 33.A O no hydrogen 2.921 N/A ARG 136.A NH1 GLY 127.A O no hydrogen 3.123 N/A SER 137.A N ASP 135.A OD1 no hydrogen 2.873 N/A SER 137.A OG TYR 139.A OH no hydrogen 3.335 N/A CYS 138.A N ASP 135.A O no hydrogen 3.203 N/A CYS 138.A SG HIS 133.A ND1 no hydrogen 3.530 N/A TYR 139.A OH ILE 37.A O no hydrogen 2.605 N/A CYS 141.A SG HIS 133.A ND1 no hydrogen 3.456 N/A ARG 143.A N TYR 203.A O no hydrogen 2.765 N/A ARG 143.A NH1 GLY 35.A O no hydrogen 3.026 N/A ARG 143.A NH1 ASN 118.A OD1 no hydrogen 3.221 N/A ARG 143.A NH2 ARG 136.A O no hydrogen 2.943 N/A ARG 143.A NH2 CYS 138.A O no hydrogen 3.067 N/A GLN 144.A NE2 THR 202.A OG1 no hydrogen 2.995 N/A LEU 145.A N ILE 201.A O no hydrogen 3.051 N/A LEU 146.A N HIS 80.A O no hydrogen 2.853 N/A PHE 147.A N TYR 199.A O no hydrogen 2.902 N/A CYS 148.A N LEU 78.A O no hydrogen 2.791 N/A ARG 149.A N TYR 196.A O no hydrogen 2.979 N/A ARG 149.A NE GLU 198.A OE2 no hydrogen 2.433 N/A ARG 149.A NH1 GLU 75.A OE2 no hydrogen 2.906 N/A ARG 149.A NH2 GLU 198.A OE1 no hydrogen 3.142 N/A VAL 150.A N ARG 76.A O no hydrogen 2.834 N/A THR 151.A N GLN 194.A O no hydrogen 2.892 N/A THR 151.A OG1 TYR 58.A OH no hydrogen 2.868 N/A LEU 152.A N ASN 74.A O no hydrogen 3.119 N/A GLY 153.A N ALA 73.A O no hydrogen 2.868 N/A LYS 154.A N HIS 171.A ND1 no hydrogen 3.048 N/A LYS 154.A NZ HIS 170.A NE2 no hydrogen 2.799 N/A SER 155.A OG SER 172.A OG no hydrogen 2.844 N/A SER 155.A OG THR 174.A OG1 no hydrogen 2.755 N/A PHE 156.A N SER 172.A O no hydrogen 2.919 N/A GLN 158.A N THR 174.A O no hydrogen 2.745 N/A SER 160.A N ARG 176.A O no hydrogen 3.023 N/A MET 162.A N SER 160.A OG no hydrogen 3.116 N/A ALA 164.A N ALA 106.A O no hydrogen 2.951 N/A HIS 170.A N PRO 167.A O no hydrogen 2.788 N/A HIS 170.A ND1 PRO 168.A O no hydrogen 2.711 N/A HIS 171.A N LYS 154.A O no hydrogen 2.814 N/A HIS 171.A NE2 GLU 68.A OE1 no hydrogen 2.728 N/A SER 172.A OG LEU 152.A O no hydrogen 2.631 N/A SER 172.A OG SER 155.A OG no hydrogen 2.844 N/A VAL 173.A N VAL 188.A O no hydrogen 2.956 N/A THR 174.A N PHE 156.A O no hydrogen 2.871 N/A THR 174.A OG1 SER 155.A OG no hydrogen 2.755 N/A GLY 175.A N GLU 186.A O no hydrogen 2.823 N/A ARG 176.A N GLN 158.A O no hydrogen 3.175 N/A SER 178.A N SER 160.A O no hydrogen 2.930 N/A SER 178.A OG SER 160.A O no hydrogen 2.920 N/A VAL 179.A N MET 162.A O no hydrogen 3.092 N/A ASN 180.A N MET 162.A O no hydrogen 2.975 N/A LEU 182.A N ASN 180.A OD1 no hydrogen 2.969 N/A ALA 183.A N ASN 180.A O no hydrogen 3.127 N/A LEU 184.A N ASN 113.A OD1 no hydrogen 2.906 N/A ALA 185.A N GLU 112.A OE2 no hydrogen 3.201 N/A GLU 186.A N GLY 175.A O no hydrogen 2.916 N/A TYR 187.A N PHE 110.A O no hydrogen 2.971 N/A TYR 187.A OH GLU 112.A OE1 no hydrogen 2.501 N/A VAL 188.A N VAL 173.A O no hydrogen 2.890 N/A ILE 189.A N ILE 108.A O no hydrogen 3.019 N/A TYR 190.A OH PHE 104.A O no hydrogen 2.696 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.869 N/A GLN 194.A N ARG 191.A O no hydrogen 3.095 N/A GLN 194.A NE2 THR 151.A O no hydrogen 2.907 N/A GLN 194.A NE2 HIS 171.A O no hydrogen 2.944 N/A ALA 195.A N GLY 192.A O no hydrogen 3.293 N/A TYR 196.A N ARG 149.A O no hydrogen 2.766 N/A TYR 196.A OH VAL 49.A O no hydrogen 2.689 N/A TYR 199.A N PHE 147.A O no hydrogen 3.072 N/A TYR 199.A OH GLU 13.A OE2 no hydrogen 2.556 N/A LEU 200.A N GLN 47.A O no hydrogen 2.820 N/A ILE 201.A N LEU 145.A O no hydrogen 2.838 N/A THR 202.A N LYS 45.A O no hydrogen 2.918 N/A TYR 203.A N ARG 143.A O no hydrogen 2.960 N/A TYR 203.A OH ASN 118.A OD1 no hydrogen 2.642 N/A GLN 204.A N ASN 42.A O no hydrogen 2.897 N/A GLN 204.A NE2 ILE 140.A O no hydrogen 2.962 N/A MET 206.A N ARG 40.A O no hydrogen 3.227 N/A