Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dzq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 7.A OE1 no hydrogen 2.690 N/A PHE 4.A N VAL 1.A O no hydrogen 3.177 N/A LYS 6.A NZ.A GLU 7.A O no hydrogen 3.095 N/A LEU 8.A N VAL 80.A O no hydrogen 2.754 N/A THR 11.A N ASP 9.A OD1 no hydrogen 2.976 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 3.038 N/A ASN 12.A N ASP 9.A O no hydrogen 2.925 N/A ILE 13.A N ALA 10.A O no hydrogen 3.069 N/A SER 14.A N ARG 31.A O.A no hydrogen 3.025 N/A SER 14.A N ARG 31.A O.B no hydrogen 2.896 N/A SER 14.A OG ARG 31.A O.B no hydrogen 3.521 N/A ASP 16.A N SER 29.A O no hydrogen 2.791 N/A LYS 17.A N SER 29.A O no hydrogen 3.442 N/A VAL 19.A N VAL 27.A O no hydrogen 3.005 N/A GLU 23.A N GLY 20.A O no hydrogen 3.068 N/A GLY 25.A N GLY 22.A O no hydrogen 3.001 N/A CYS 28.A N ILE 44.A O no hydrogen 2.806 N/A SER 29.A N LYS 17.A O no hydrogen 2.789 N/A GLY 30.A N VAL 42.A O no hydrogen 2.895 N/A ARG 31.A N.A SER 14.A O no hydrogen 2.931 N/A ARG 31.A N.B SER 14.A O no hydrogen 2.932 N/A ARG 31.A NE.A GLU 39.A OE1 no hydrogen 3.030 N/A ARG 31.A NH1.B SER 41.A OG no hydrogen 2.769 N/A ARG 31.A NH2.A GLU 39.A OE1 no hydrogen 2.745 N/A LEU 32.A N ILE 40.A O no hydrogen 2.890 N/A LYS 33.A N ASN 12.A O no hydrogen 2.897 N/A LYS 33.A NZ LYS 37.A O no hydrogen 2.791 N/A LYS 33.A NZ GLU 39.A OE2 no hydrogen 2.774 N/A LEU 34.A N LYS 38.A O no hydrogen 2.805 N/A LYS 37.A N LEU 34.A O no hydrogen 2.822 N/A LYS 38.A N SER 36.A OG no hydrogen 3.267 N/A ILE 40.A N LEU 32.A O no hydrogen 2.943 N/A VAL 42.A N GLY 30.A O no hydrogen 2.971 N/A ALA 43.A N THR 91.A O no hydrogen 2.898 N/A ILE 44.A N CYS 28.A O no hydrogen 2.716 N/A LYS 45.A N ILE 89.A O no hydrogen 2.843 N/A LYS 45.A NZ GLU 62.A OE1 no hydrogen 2.887 N/A LYS 45.A NZ GLU 62.A OE2 no hydrogen 3.124 N/A THR 46.A N GLU 26.A O no hydrogen 2.936 N/A THR 46.A OG1 GLU 26.A OE2 no hydrogen 2.480 N/A LEU 47.A N VAL 87.A O no hydrogen 3.030 N/A LYS 48.A NZ VAL 49.A O no hydrogen 3.568 N/A THR 52.A N GLN 55.A OE1 no hydrogen 2.884 N/A LYS 54.A NZ ASP 58.A OD1 no hydrogen 3.537 N/A LYS 54.A NZ ASP 58.A OD2 no hydrogen 2.857 N/A GLN 55.A N THR 52.A OG1 no hydrogen 3.100 N/A ARG 56.A N THR 52.A O no hydrogen 3.031 N/A ARG 57.A N GLU 53.A O no hydrogen 2.901 N/A ASP 58.A N LYS 54.A O no hydrogen 2.888 N/A PHE 59.A N GLN 55.A O no hydrogen 2.962 N/A LEU 60.A N ARG 56.A O no hydrogen 2.811 N/A GLY 61.A N ARG 57.A O no hydrogen 2.838 N/A GLU 62.A N ASP 58.A O no hydrogen 3.034 N/A ALA 63.A N PHE 59.A O no hydrogen 3.383 N/A SER 64.A N LEU 60.A O no hydrogen 2.947 N/A SER 64.A OG LEU 60.A O no hydrogen 3.048 N/A ILE 65.A N GLY 61.A O no hydrogen 3.050 N/A MET 66.A N GLU 62.A O no hydrogen 3.053 N/A GLY 67.A N ALA 63.A O no hydrogen 2.884 N/A GLN 68.A N ILE 65.A O no hydrogen 3.005 N/A GLN 68.A NE2 SER 64.A O no hydrogen 3.232 N/A PHE 69.A N MET 66.A O no hydrogen 3.081 N/A ASN 73.A ND2 CYS 152.A O no hydrogen 2.938 N/A ILE 74.A N HIS 71.A O no hydrogen 3.157 N/A ILE 75.A N VAL 154.A O no hydrogen 2.982 N/A ARG 76.A N GLU 92.A OE2 no hydrogen 2.844 N/A ARG 76.A NE GLU 78.A OE2 no hydrogen 2.926 N/A GLU 78.A N VAL 90.A O no hydrogen 2.781 N/A GLY 79.A N VAL 90.A O no hydrogen 3.243 N/A VAL 80.A N LYS 6.A O.A no hydrogen 2.790 N/A VAL 80.A N LYS 6.A O.B no hydrogen 2.740 N/A VAL 81.A N MET 88.A O no hydrogen 2.907 N/A THR 82.A N GLU 7.A OE2 no hydrogen 2.792 N/A THR 82.A OG1 GLU 7.A OE1 no hydrogen 2.713 N/A THR 82.A OG1 GLU 7.A OE2 no hydrogen 3.373 N/A LYS 83.A N GLU 7.A OE2 no hydrogen 2.939 N/A LYS 85.A NZ TYR 51.A OH no hydrogen 2.679 N/A MET 88.A N VAL 81.A O no hydrogen 2.946 N/A ILE 89.A N LYS 45.A O no hydrogen 2.942 N/A VAL 90.A N GLY 79.A O no hydrogen 2.893 N/A THR 91.A N ALA 43.A O no hydrogen 2.917 N/A THR 91.A OG1 GLU 92.A O no hydrogen 3.016 N/A GLU 92.A N ARG 76.A O no hydrogen 3.062 N/A GLU 95.A N GLU 95.A OE1 no hydrogen 2.822 N/A ASN 96.A N ILE 146.A O no hydrogen 2.964 N/A GLY 97.A N MET 94.A O no hydrogen 3.191 N/A SER 98.A OG GLU 23.A OE2 no hydrogen 2.765 N/A SER 98.A OG ASP 100.A OD1 no hydrogen 3.288 N/A SER 98.A OG SER 101.A OG no hydrogen 2.654 N/A LEU 99.A N ILE 144.A O no hydrogen 2.831 N/A SER 101.A OG SER 98.A O no hydrogen 3.109 N/A SER 101.A OG SER 98.A OG no hydrogen 2.654 N/A PHE 102.A N SER 98.A O no hydrogen 2.983 N/A LEU 103.A N LEU 99.A O no hydrogen 2.871 N/A ARG 104.A N ASP 100.A O no hydrogen 3.074 N/A ARG 104.A NH1 ASP 100.A OD2 no hydrogen 3.187 N/A ARG 104.A NH1 GLY 194.A O no hydrogen 2.859 N/A ARG 104.A NH2 ASP 100.A OD2 no hydrogen 3.194 N/A LYS 105.A N PHE 102.A O no hydrogen 3.041 N/A HIS 106.A N LEU 103.A O no hydrogen 2.914 N/A HIS 106.A ND1 GLN 109.A OE1 no hydrogen 2.861 N/A GLN 109.A N HIS 106.A O no hydrogen 2.974 N/A PHE 110.A N TYR 193.A OH no hydrogen 3.004 N/A THR 111.A N GLN 114.A OE1 no hydrogen 2.958 N/A GLN 114.A N THR 111.A OG1 no hydrogen 3.011 N/A LEU 115.A N THR 111.A O no hydrogen 3.054 N/A VAL 116.A N VAL 112.A O no hydrogen 2.838 N/A GLY 117.A N ILE 113.A O no hydrogen 2.921 N/A MET 118.A N GLN 114.A O no hydrogen 3.112 N/A LEU 119.A N LEU 115.A O no hydrogen 3.002 N/A ARG 120.A N VAL 116.A O no hydrogen 2.789 N/A ARG 120.A NE ASP 252.A OD1 no hydrogen 2.709 N/A ARG 120.A NH2 ASP 252.A OD1 no hydrogen 3.492 N/A ARG 120.A NH2 ASP 252.A OD2 no hydrogen 3.012 N/A GLY 121.A N GLY 117.A O no hydrogen 3.095 N/A ILE 122.A N MET 118.A O no hydrogen 3.105 N/A ALA 123.A N LEU 119.A O no hydrogen 2.932 N/A SER 124.A N ARG 120.A O no hydrogen 2.880 N/A SER 124.A OG HIS 71.A NE2 no hydrogen 3.324 N/A GLY 125.A N GLY 121.A O no hydrogen 2.995 N/A MET 126.A N ILE 122.A O no hydrogen 2.957 N/A LYS 127.A N ALA 123.A O no hydrogen 2.750 N/A LYS 127.A NZ ASP 131.A OD1 no hydrogen 3.501 N/A LYS 127.A NZ ASP 131.A OD2 no hydrogen 2.687 N/A TYR 128.A N SER 124.A O no hydrogen 3.124 N/A LEU 129.A N GLY 125.A O no hydrogen 2.943 N/A SER 130.A N MET 126.A O no hydrogen 2.855 N/A SER 130.A OG MET 126.A O no hydrogen 2.775 N/A SER 130.A OG LYS 127.A O no hydrogen 2.959 N/A ASP 131.A N LYS 127.A O no hydrogen 2.886 N/A MET 132.A N TYR 128.A O no hydrogen 2.956 N/A MET 132.A N LEU 129.A O no hydrogen 2.999 N/A GLY 133.A N SER 130.A O no hydrogen 2.977 N/A TYR 134.A N LEU 129.A O no hydrogen 2.957 N/A HIS 136.A N ASP 179.A OD2 no hydrogen 2.730 N/A HIS 136.A NE2 SER 155.A O.A no hydrogen 2.757 N/A HIS 136.A NE2 SER 155.A O.B no hydrogen 2.846 N/A ARG 137.A N ASP 179.A OD1 no hydrogen 3.049 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.045 N/A ALA 141.A N GLU 189.A OE2 no hydrogen 2.921 N/A ARG 142.A NH1 ASP 138.A OD1 no hydrogen 3.474 N/A ARG 142.A NH1 ASP 138.A OD2 no hydrogen 2.868 N/A ARG 142.A NH2 ASP 138.A OD1 no hydrogen 2.791 N/A ASN 143.A N ALA 140.A O no hydrogen 2.869 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.775 N/A ASN 143.A ND2 ASP 138.A OD2 no hydrogen 2.978 N/A ILE 144.A N ALA 141.A O no hydrogen 3.059 N/A LEU 145.A N LYS 153.A O no hydrogen 2.985 N/A ILE 146.A N GLY 97.A O no hydrogen 2.952 N/A ASN 147.A N VAL 151.A O no hydrogen 2.988 N/A SER 148.A N GLU 95.A OE1 no hydrogen 3.112 N/A ASN 149.A N ASN 147.A OD1 no hydrogen 2.912 N/A LEU 150.A N ASN 147.A O no hydrogen 2.959 N/A VAL 151.A N ASN 147.A OD1 no hydrogen 2.974 N/A CYS 152.A SG LEU 150.A O no hydrogen 3.793 N/A LYS 153.A N LEU 145.A O no hydrogen 2.911 N/A LYS 153.A NZ PRO 72.A O no hydrogen 3.291 N/A LYS 153.A NZ GLU 92.A OE1 no hydrogen 2.758 N/A LYS 153.A NZ GLU 92.A OE2 no hydrogen 3.332 N/A VAL 154.A N ASN 73.A O no hydrogen 2.873 N/A SER 155.A N.A ASN 143.A O no hydrogen 2.798 N/A SER 155.A N.B ASN 143.A O no hydrogen 2.820 N/A SER 155.A OG.B LYS 153.A O no hydrogen 3.208 N/A PHE 157.A N ASN 143.A OD1 no hydrogen 2.998 N/A GLY 158.A N ASP 156.A OD1 no hydrogen 2.934 N/A ARG 162.A NE PRO 197.A O no hydrogen 2.878 N/A ARG 162.A NE TRP 199.A O no hydrogen 3.180 N/A ARG 162.A NH1 TYR 198.A O no hydrogen 3.453 N/A ARG 162.A NH1 TRP 199.A O no hydrogen 2.896 N/A ARG 162.A NH1 MET 201.A O no hydrogen 2.797 N/A ARG 162.A NH2 ASN 203.A OD1 no hydrogen 2.964 N/A TRP 163.A N PRO 160.A O no hydrogen 3.045 N/A TRP 163.A NE1 GLU 189.A OE2 no hydrogen 2.904 N/A THR 164.A N ILE 161.A O no hydrogen 3.066 N/A THR 164.A OG1 PRO 160.A O no hydrogen 2.713 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.838 N/A ALA 168.A N SER 165.A OG no hydrogen 3.226 N/A ILE 169.A N SER 165.A O no hydrogen 2.921 N/A ALA 170.A N PRO 166.A O no hydrogen 2.799 N/A TYR 171.A N GLU 167.A O no hydrogen 3.046 N/A ARG 172.A N ALA 168.A O no hydrogen 2.937 N/A LYS 173.A N GLU 167.A O no hydrogen 3.398 N/A THR 175.A N SER 178.A OG no hydrogen 2.782 N/A SER 178.A N THR 175.A O no hydrogen 2.974 N/A SER 178.A N THR 175.A OG1 no hydrogen 3.298 N/A SER 178.A OG THR 175.A O no hydrogen 2.742 N/A ASP 179.A N THR 175.A O no hydrogen 3.187 N/A VAL 180.A N SER 176.A O no hydrogen 2.935 N/A TRP 181.A N ALA 177.A O no hydrogen 3.154 N/A SER 182.A N SER 178.A O no hydrogen 3.141 N/A SER 182.A OG TRP 163.A O no hydrogen 2.608 N/A SER 182.A OG SER 178.A O no hydrogen 3.222 N/A TYR 183.A N ASP 179.A O no hydrogen 2.797 N/A TYR 183.A OH LEU 119.A O no hydrogen 2.783 N/A GLY 184.A N VAL 180.A O no hydrogen 2.980 N/A ILE 185.A N TRP 181.A O no hydrogen 3.141 N/A VAL 186.A N SER 182.A O no hydrogen 2.875 N/A LEU 187.A N TYR 183.A O no hydrogen 2.769 N/A TRP 188.A N GLY 184.A O no hydrogen 3.034 N/A TRP 188.A NE1 PRO 217.A O no hydrogen 2.809 N/A GLU 189.A N ILE 185.A O no hydrogen 2.851 N/A VAL 190.A N VAL 186.A O no hydrogen 2.769 N/A MET 191.A N LEU 187.A O no hydrogen 3.021 N/A SER 192.A N TRP 188.A O no hydrogen 2.953 N/A SER 192.A N GLU 189.A O no hydrogen 3.263 N/A SER 192.A OG TRP 188.A O no hydrogen 2.850 N/A TYR 193.A N VAL 190.A O no hydrogen 2.949 N/A GLY 194.A N GLU 189.A O no hydrogen 2.779 N/A GLU 195.A N.A SER 192.A O no hydrogen 3.398 N/A GLU 195.A N.B SER 192.A O no hydrogen 3.406 N/A ARG 196.A NE TRP 199.A O no hydrogen 3.061 N/A TRP 199.A N ARG 196.A O no hydrogen 2.915 N/A TRP 199.A NE1 GLU 195.A OE2.A no hydrogen 2.683 N/A MET 201.A N TYR 198.A O no hydrogen 3.010 N/A VAL 206.A N SER 202.A O no hydrogen 2.965 N/A ILE 207.A N ASN 203.A O no hydrogen 2.947 N/A LYS 208.A N GLN 204.A O no hydrogen 2.981 N/A ALA 209.A N ASP 205.A O no hydrogen 2.856 N/A VAL 210.A N VAL 206.A O no hydrogen 3.150 N/A ASP 211.A N ILE 207.A O no hydrogen 3.079 N/A GLU 212.A N LYS 208.A O no hydrogen 2.943 N/A GLY 213.A N VAL 210.A O no hydrogen 3.006 N/A TYR 214.A N ALA 209.A O no hydrogen 3.019 N/A ARG 215.A N LEU 266.A O no hydrogen 2.808 N/A ARG 215.A NE TRP 234.A O no hydrogen 3.067 N/A ARG 215.A NH1 VAL 210.A O no hydrogen 2.934 N/A ARG 215.A NH1 TYR 214.A O no hydrogen 2.915 N/A ARG 215.A NH2 TRP 234.A O no hydrogen 2.937 N/A CYS 222.A N PRO 219.A O no hydrogen 3.004 N/A CYS 222.A SG PRO 223.A O no hydrogen 3.509 N/A ALA 224.A N ILE 261.A O no hydrogen 2.902 N/A LEU 226.A N PRO 223.A O no hydrogen 2.958 N/A TYR 227.A N PRO 223.A O no hydrogen 3.061 N/A TYR 227.A OH LEU 216.A O no hydrogen 2.693 N/A TYR 227.A OH ASP 268.A OD1 no hydrogen 3.289 N/A GLN 228.A N ALA 224.A O no hydrogen 2.829 N/A GLN 228.A NE2 ASP 232.A OD1 no hydrogen 2.865 N/A LEU 229.A N ALA 225.A O no hydrogen 3.029 N/A MET 230.A N LEU 226.A O no hydrogen 3.019 N/A LEU 231.A N TYR 227.A O no hydrogen 2.981 N/A ASP 232.A N GLN 228.A O no hydrogen 2.876 N/A CYS 233.A N LEU 229.A O no hydrogen 2.945 N/A CYS 233.A SG LEU 229.A O no hydrogen 3.405 N/A TRP 234.A N MET 230.A O no hydrogen 2.924 N/A TRP 234.A N LEU 231.A O no hydrogen 3.149 N/A GLN 235.A N ASP 232.A O no hydrogen 3.359 N/A GLN 235.A NE2 LEU 231.A O no hydrogen 2.982 N/A LYS 236.A NZ ASP 211.A O no hydrogen 2.910 N/A ASN 239.A N ASP 237.A OD1 no hydrogen 2.777 N/A ASN 240.A N ASP 237.A O no hydrogen 2.910 N/A ARG 241.A N ARG 238.A O no hydrogen 3.199 N/A ARG 241.A NE GLN 235.A O no hydrogen 2.837 N/A ARG 241.A NH1 GLU 167.A OE2 no hydrogen 2.814 N/A ARG 241.A NH1 ALA 177.A O no hydrogen 2.978 N/A ARG 241.A NH2 GLU 167.A OE1 no hydrogen 2.913 N/A ARG 241.A NH2 GLN 235.A O no hydrogen 2.974 N/A LYS 243.A N GLN 246.A OE1 no hydrogen 2.888 N/A ILE 247.A N LYS 243.A O no hydrogen 3.004 N/A VAL 248.A N PHE 244.A O no hydrogen 2.928 N/A SER 249.A N GLU 245.A O no hydrogen 3.029 N/A ILE 250.A N GLN 246.A O no hydrogen 2.889 N/A LEU 251.A N ILE 247.A O no hydrogen 2.982 N/A ASP 252.A N VAL 248.A O no hydrogen 2.851 N/A LYS 253.A N SER 249.A O no hydrogen 3.059 N/A LEU 254.A N ILE 250.A O no hydrogen 3.131 N/A ILE 255.A N LEU 251.A O no hydrogen 2.782 N/A ASN 257.A N LEU 254.A O no hydrogen 2.687 N/A THR 263.A N CYS 222.A O no hydrogen 3.165 N/A THR 263.A OG1 CYS 222.A O no hydrogen 2.991 N/A LEU 266.A N ARG 215.A O no hydrogen 2.882 N/A ASP 268.A N GLY 213.A O no hydrogen 2.998 N/A