Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4lkl_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): CYS 1.A SG HIS 2.A ND1 no hydrogen 4.018 N/A CYS 1.A SG HIS 145.A NE2 no hydrogen 3.881 N/A CYS 1.A SG SER 147.A O no hydrogen 3.701 N/A MET 6.A N HIS 2.A O no hydrogen 3.023 N/A LEU 7.A N LEU 3.A O no hydrogen 2.874 N/A GLN 8.A N SER 4.A O no hydrogen 3.124 N/A GLN 9.A N ASP 5.A O no hydrogen 2.959 N/A GLN 9.A NE2 PRO 166.A O no hydrogen 3.118 N/A LEU 10.A N MET 6.A O no hydrogen 2.920 N/A HIS 11.A N LEU 7.A O no hydrogen 2.862 N/A SER 12.A N GLN 8.A O no hydrogen 3.016 N/A SER 12.A OG GLN 8.A O no hydrogen 2.984 N/A VAL 13.A N GLN 9.A O no hydrogen 3.215 N/A ASN 14.A N LEU 10.A O no hydrogen 2.808 N/A ASN 14.A ND2 LEU 201.A O no hydrogen 3.204 N/A ALA 15.A N HIS 11.A O no hydrogen 2.843 N/A SER 16.A N SER 12.A O no hydrogen 3.305 N/A SER 16.A N VAL 13.A O no hydrogen 3.132 N/A SER 16.A OG VAL 13.A O no hydrogen 2.673 N/A LYS 17.A N ASN 14.A O no hydrogen 3.053 N/A LYS 17.A NZ GLU 20.A OE1 no hydrogen 3.311 N/A GLU 20.A N LYS 17.A O no hydrogen 3.037 N/A ARG 21.A NE LYS 17.A O no hydrogen 3.001 N/A ARG 21.A NH1 GLU 189.A O no hydrogen 3.022 N/A ARG 21.A NH1 GLU 190.A O no hydrogen 3.360 N/A ARG 21.A NH2 SER 16.A O no hydrogen 3.133 N/A ARG 21.A NH2 GLU 189.A O no hydrogen 2.736 N/A ARG 25.A N TYR 191.A O no hydrogen 2.842 N/A ARG 25.A NH2 GLU 28.A OE2 no hydrogen 2.979 N/A GLN 26.A NE2 TYR 183.A OH no hydrogen 2.856 N/A GLU 27.A N GLU 27.A OE1 no hydrogen 2.753 N/A GLU 28.A N ARG 25.A O no hydrogen 2.985 N/A ALA 29.A N GLN 26.A O no hydrogen 2.937 N/A GLU 30.A N GLU 27.A O no hydrogen 3.216 N/A ASP 31.A N THR 182.A O no hydrogen 2.889 N/A ALA 33.A N ASP 31.A OD1 no hydrogen 2.977 N/A CYS 34.A N ASP 31.A O no hydrogen 2.954 N/A ILE 35.A N PRO 32.A O no hydrogen 3.415 N/A TRP 39.A NE1 ALA 122.A O no hydrogen 2.916 N/A VAL 40.A N GLN 152.A OE1 no hydrogen 2.726 N/A SER 41.A N GLN 55.A O no hydrogen 2.837 N/A SER 41.A OG GLN 55.A O no hydrogen 3.119 N/A LYS 42.A N GLN 55.A O no hydrogen 3.477 N/A LYS 42.A NZ MET 115.A O no hydrogen 2.661 N/A LYS 42.A NZ HIS 118.A O no hydrogen 3.189 N/A LYS 42.A NZ LEU 119.A O no hydrogen 3.172 N/A VAL 44.A N GLY 53.A O no hydrogen 2.765 N/A TYR 46.A N GLY 51.A O no hydrogen 2.976 N/A SER 47.A N ASP 45.A OD1 no hydrogen 2.961 N/A SER 47.A OG ASP 45.A OD1 no hydrogen 2.644 N/A LYS 49.A N TYR 46.A O no hydrogen 3.264 N/A TYR 50.A N TYR 46.A O no hydrogen 2.872 N/A GLY 51.A N TYR 46.A O no hydrogen 3.008 N/A LEU 52.A N LEU 64.A O no hydrogen 2.995 N/A GLY 53.A N VAL 44.A O no hydrogen 2.929 N/A TYR 54.A N GLY 62.A O no hydrogen 2.880 N/A GLN 55.A N LYS 42.A O no hydrogen 2.894 N/A GLN 55.A NE2 SER 41.A OG no hydrogen 2.808 N/A LEU 56.A N SER 60.A O no hydrogen 2.844 N/A CYS 57.A N TRP 39.A O no hydrogen 2.963 N/A CYS 57.A SG ILE 37.A O no hydrogen 3.190 N/A ASN 59.A N LEU 56.A O no hydrogen 2.931 N/A SER 60.A N ASP 58.A OD1 no hydrogen 3.064 N/A SER 60.A OG ASP 58.A OD1 no hydrogen 2.692 N/A VAL 61.A N LEU 73.A O no hydrogen 2.980 N/A GLY 62.A N TYR 54.A O no hydrogen 2.830 N/A VAL 63.A N LEU 71.A O no hydrogen 3.002 N/A LEU 64.A N LEU 52.A O no hydrogen 2.950 N/A PHE 65.A N THR 69.A O no hydrogen 2.883 N/A ASN 66.A N TYR 50.A O no hydrogen 2.907 N/A ASN 66.A ND2 SER 47.A O no hydrogen 2.961 N/A SER 68.A N PHE 65.A O no hydrogen 2.971 N/A THR 69.A N ASP 67.A OD2 no hydrogen 3.111 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 3.491 N/A THR 69.A OG1 ASP 67.A OD2 no hydrogen 2.580 N/A ARG 70.A N ILE 83.A O no hydrogen 2.840 N/A ARG 70.A NE LEU 132.A O no hydrogen 3.202 N/A ARG 70.A NH1 GLU 84.A O no hydrogen 3.364 N/A ARG 70.A NH2 ARG 133.A O no hydrogen 2.830 N/A LEU 71.A N VAL 63.A O no hydrogen 3.126 N/A ILE 72.A N GLN 81.A O no hydrogen 2.822 N/A LEU 73.A N VAL 61.A O no hydrogen 2.786 N/A TYR 74.A N SER 79.A O no hydrogen 2.947 N/A ASN 75.A ND2 ASP 58.A O no hydrogen 3.056 N/A GLY 77.A N TYR 74.A O no hydrogen 3.014 N/A ASP 78.A N ASP 76.A OD1 no hydrogen 2.903 N/A SER 79.A N ASP 76.A OD1 no hydrogen 2.852 N/A SER 79.A OG ASP 76.A OD1 no hydrogen 3.352 N/A SER 79.A OG ASP 76.A OD2 no hydrogen 2.553 N/A LEU 80.A N LEU 92.A O no hydrogen 2.845 N/A GLN 81.A N ILE 72.A O no hydrogen 2.912 N/A TYR 82.A N SER 90.A O no hydrogen 2.852 N/A ILE 83.A N ARG 70.A O no hydrogen 2.805 N/A GLU 84.A N THR 88.A O no hydrogen 2.956 N/A GLY 87.A N GLU 84.A O no hydrogen 2.822 N/A THR 88.A OG1 ASP 86.A OD2 no hydrogen 3.225 N/A SER 90.A N TYR 82.A O no hydrogen 2.834 N/A TYR 91.A OH GLU 89.A OE2 no hydrogen 3.045 N/A LEU 92.A N LEU 80.A O no hydrogen 3.128 N/A THR 93.A N SER 96.A O no hydrogen 3.195 N/A THR 93.A OG1 SER 95.A OG no hydrogen 3.036 N/A VAL 94.A N ASP 78.A O no hydrogen 2.888 N/A SER 95.A N ASP 78.A OD1 no hydrogen 3.300 N/A SER 95.A OG ASP 78.A OD2 no hydrogen 3.523 N/A SER 95.A OG THR 93.A OG1 no hydrogen 3.036 N/A SER 96.A N THR 93.A O no hydrogen 3.287 N/A SER 96.A N THR 93.A OG1 no hydrogen 2.896 N/A LEU 101.A N PRO 98.A O no hydrogen 3.042 N/A MET 102.A N ASN 99.A O no hydrogen 3.127 N/A LYS 104.A NZ ASP 67.A OD1 no hydrogen 2.724 N/A LYS 104.A NZ THR 69.A OG1 no hydrogen 2.795 N/A LYS 104.A NZ TYR 82.A OH no hydrogen 2.855 N/A ILE 105.A N LEU 101.A O no hydrogen 2.900 N/A THR 106.A N MET 102.A O no hydrogen 2.921 N/A THR 106.A OG1 MET 102.A O no hydrogen 3.504 N/A THR 106.A OG1 LYS 103.A O no hydrogen 2.489 N/A LEU 107.A N LYS 103.A O no hydrogen 2.909 N/A LEU 108.A N LYS 104.A O no hydrogen 2.979 N/A LYS 109.A N ILE 105.A O no hydrogen 2.950 N/A TYR 110.A N THR 106.A O no hydrogen 3.005 N/A PHE 111.A N LEU 107.A O no hydrogen 3.021 N/A ARG 112.A N LEU 108.A O no hydrogen 2.766 N/A ASN 113.A N LYS 109.A O no hydrogen 2.887 N/A TYR 114.A N TYR 110.A O no hydrogen 3.066 N/A MET 115.A N PHE 111.A O no hydrogen 2.971 N/A SER 116.A N ARG 112.A O no hydrogen 2.817 N/A GLU 117.A N ASN 113.A O no hydrogen 3.172 N/A GLU 117.A N TYR 114.A O no hydrogen 3.057 N/A HIS 118.A N TYR 114.A O no hydrogen 2.737 N/A HIS 118.A ND1 TYR 114.A O no hydrogen 2.702 N/A LYS 121.A NZ CYS 57.A O no hydrogen 3.043 N/A ALA 122.A N SER 41.A O no hydrogen 2.999 N/A ILE 126.A N GLY 123.A O no hydrogen 3.183 N/A TYR 131.A N SER 147.A OG no hydrogen 2.927 N/A LEU 132.A N TYR 54.A OH no hydrogen 3.172 N/A ARG 133.A N HIS 145.A O no hydrogen 2.834 N/A THR 134.A N HIS 145.A O no hydrogen 3.248 N/A PHE 136.A N ILE 143.A O no hydrogen 3.132 N/A ARG 137.A NH2 ASP 45.A OD2 no hydrogen 2.767 N/A THR 138.A N ALA 141.A O no hydrogen 2.838 N/A THR 138.A OG1 ALA 141.A O no hydrogen 3.374 N/A THR 138.A OG1 TYR 203.A OH no hydrogen 2.820 N/A SER 140.A N THR 138.A OG1 no hydrogen 3.155 N/A ALA 141.A N THR 138.A OG1 no hydrogen 3.060 N/A ILE 142.A N ASN 154.A O no hydrogen 2.981 N/A ILE 143.A N PHE 136.A O no hydrogen 2.813 N/A LEU 144.A N GLN 152.A O no hydrogen 2.766 N/A HIS 145.A N THR 134.A O no hydrogen 2.867 N/A LEU 146.A N SER 150.A O no hydrogen 2.894 N/A SER 147.A N TYR 131.A O no hydrogen 2.824 N/A SER 147.A OG TYR 131.A O no hydrogen 3.474 N/A GLY 149.A N LEU 146.A O no hydrogen 2.989 N/A VAL 151.A N LEU 164.A O no hydrogen 2.932 N/A GLN 152.A N LEU 144.A O no hydrogen 2.754 N/A GLN 152.A NE2 VAL 40.A O no hydrogen 2.994 N/A ILE 153.A N LEU 162.A O no hydrogen 2.850 N/A ASN 154.A N ILE 142.A O no hydrogen 3.004 N/A PHE 155.A N THR 160.A O no hydrogen 2.882 N/A PHE 156.A N SER 140.A O no hydrogen 2.965 N/A THR 160.A N ASP 158.A OD1 no hydrogen 2.977 N/A THR 160.A OG1 ASP 158.A OD1 no hydrogen 2.647 N/A THR 160.A OG1 ASP 158.A OD2 no hydrogen 3.555 N/A LYS 161.A N ILE 174.A O no hydrogen 2.964 N/A LYS 161.A NZ HIS 159.A O no hydrogen 2.938 N/A LEU 162.A N ILE 153.A O no hydrogen 2.887 N/A ILE 163.A N THR 172.A O no hydrogen 2.862 N/A LEU 164.A N VAL 151.A O no hydrogen 2.755 N/A CYS 165.A N ALA 170.A O no hydrogen 2.983 N/A CYS 165.A SG SER 150.A OG no hydrogen 3.559 N/A ALA 170.A N CYS 165.A O no hydrogen 2.999 N/A VAL 171.A N TYR 183.A O no hydrogen 2.858 N/A THR 172.A N ILE 163.A O no hydrogen 2.847 N/A THR 172.A OG1 THR 182.A OG1 no hydrogen 2.791 N/A TYR 173.A N ARG 181.A O no hydrogen 2.829 N/A TYR 173.A OH GLU 196.A OE2 no hydrogen 2.594 N/A ILE 174.A N LYS 161.A O no hydrogen 2.849 N/A ASP 175.A N ASP 179.A O no hydrogen 3.066 N/A LYS 177.A N ASP 175.A OD1 no hydrogen 2.924 N/A LYS 177.A NZ ASP 175.A OD2 no hydrogen 2.750 N/A ARG 178.A N ASP 175.A O no hydrogen 2.953 N/A ASP 179.A N ASP 175.A OD1 no hydrogen 2.916 N/A ARG 181.A N TYR 173.A O no hydrogen 3.107 N/A THR 182.A OG1 THR 172.A OG1 no hydrogen 2.791 N/A TYR 183.A N VAL 171.A O no hydrogen 2.780 N/A ARG 184.A N ALA 29.A O no hydrogen 3.011 N/A ARG 184.A NH1 ASP 31.A OD2 no hydrogen 3.531 N/A ARG 184.A NH2 MET 168.A O no hydrogen 2.648 N/A LEU 185.A N ALA 169.A O no hydrogen 2.965 N/A LEU 187.A N ARG 184.A O no hydrogen 2.947 N/A LEU 188.A N ARG 184.A O no hydrogen 3.034 N/A GLU 189.A N LEU 185.A O no hydrogen 3.039 N/A GLU 190.A N SER 186.A O no hydrogen 3.207 N/A TYR 191.A N LEU 187.A O no hydrogen 2.816 N/A GLY 192.A N LEU 188.A O no hydrogen 2.780 N/A CYS 193.A N PRO 18.A O no hydrogen 2.981 N/A CYS 193.A SG CYS 194.A O no hydrogen 3.631 N/A CYS 194.A N GLN 26.A OE1 no hydrogen 2.825 N/A CYS 194.A SG GLN 26.A OE1 no hydrogen 3.441 N/A ALA 198.A N CYS 194.A O no hydrogen 2.989 N/A SER 199.A N LYS 195.A O no hydrogen 2.924 N/A ARG 200.A N GLU 196.A O no hydrogen 3.083 N/A ARG 200.A NE THR 160.A OG1 no hydrogen 3.095 N/A ARG 200.A NH2 ASP 158.A OD2 no hydrogen 2.424 N/A LEU 201.A N LEU 197.A O no hydrogen 2.930 N/A ARG 202.A N ALA 198.A O no hydrogen 3.075 N/A TYR 203.A N SER 199.A O no hydrogen 3.037 N/A TYR 203.A OH THR 138.A OG1 no hydrogen 2.820 N/A ALA 204.A N ARG 200.A O no hydrogen 2.839 N/A ARG 205.A N LEU 201.A O no hydrogen 3.127 N/A ARG 205.A NE ASP 209.A OD1 no hydrogen 3.189 N/A ARG 205.A NE ASP 209.A OD2 no hydrogen 2.497 N/A ARG 205.A NH2 ASP 209.A OD1 no hydrogen 3.210 N/A THR 206.A N ARG 202.A O no hydrogen 3.333 N/A THR 206.A OG1 ARG 202.A O no hydrogen 3.429 N/A MET 207.A N TYR 203.A O no hydrogen 2.975 N/A VAL 208.A N ALA 204.A O no hydrogen 2.892 N/A ASP 209.A N ARG 205.A O no hydrogen 2.978 N/A LYS 210.A N THR 206.A O no hydrogen 3.144 N/A LEU 211.A N MET 207.A O no hydrogen 3.046 N/A LEU 212.A N VAL 208.A O no hydrogen 2.967 N/A SER 213.A N ASP 209.A O no hydrogen 2.878 N/A SER 214.A OG LYS 210.A O no hydrogen 3.373 N/A SER 214.A OG LEU 211.A O no hydrogen 2.752 N/A