Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3f3z_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 1.A O no hydrogen 2.889 N/A TYR 5.A N ILE 2.A O no hydrogen 2.891 N/A TYR 6.A N ILE 2.A O no hydrogen 2.815 N/A TYR 6.A OH GLU 68.A OE2 no hydrogen 2.652 N/A THR 7.A N VAL 24.A O no hydrogen 2.866 N/A GLU 9.A N ILE 22.A O no hydrogen 2.767 N/A THR 11.A OG1 GLU 19.A OE2 no hydrogen 3.208 N/A ILE 12.A N VAL 20.A O no hydrogen 2.854 N/A GLY 15.A N GLY 18.A O no hydrogen 3.266 N/A GLU 19.A N LYS 36.A O no hydrogen 3.126 N/A VAL 20.A N GLY 13.A O no hydrogen 2.972 N/A LYS 21.A N ALA 34.A O no hydrogen 2.857 N/A LYS 21.A NZ GLU 19.A OE1 no hydrogen 2.898 N/A ILE 22.A N ASN 10.A O no hydrogen 3.001 N/A ALA 23.A N ARG 32.A O no hydrogen 2.988 N/A VAL 24.A N THR 7.A O no hydrogen 2.991 N/A GLN 25.A N ILE 30.A O no hydrogen 2.768 N/A LYS 26.A N TYR 5.A O no hydrogen 2.908 N/A LYS 26.A NZ THR 7.A OG1 no hydrogen 2.736 N/A THR 28.A OG1 GLN 25.A O no hydrogen 3.515 N/A THR 28.A OG1 GLN 25.A OE1 no hydrogen 2.609 N/A ARG 29.A N GLN 25.A O no hydrogen 2.702 N/A ILE 30.A N THR 28.A OG1 no hydrogen 3.256 N/A ARG 32.A N ALA 23.A O no hydrogen 2.830 N/A ARG 32.A NH1 TYR 6.A OH no hydrogen 2.853 N/A ALA 33.A N MET 80.A O no hydrogen 2.851 N/A ALA 34.A N LYS 21.A O no hydrogen 2.770 N/A LYS 35.A N LEU 78.A O no hydrogen 2.843 N/A LYS 36.A N GLU 19.A O no hydrogen 2.714 N/A ILE 37.A N ILE 76.A O no hydrogen 2.793 N/A LYS 39.A N THR 74.A O no hydrogen 2.777 N/A LYS 39.A NZ GLU 71.A OE1 no hydrogen 2.690 N/A LYS 39.A NZ ASP 72.A O no hydrogen 3.538 N/A PHE 41.A N PRO 38.A O no hydrogen 3.011 N/A VAL 42.A N LYS 39.A O no hydrogen 3.203 N/A ARG 47.A N ASP 44.A OD1 no hydrogen 3.006 N/A ARG 47.A NH1 ASP 44.A OD2 no hydrogen 3.012 N/A PHE 48.A N ASP 44.A O no hydrogen 3.084 N/A LYS 49.A N VAL 45.A O no hydrogen 2.838 N/A GLN 50.A N ASP 46.A O no hydrogen 3.006 N/A GLU 51.A N ARG 47.A O no hydrogen 2.992 N/A ILE 52.A N PHE 48.A O no hydrogen 3.052 N/A GLU 53.A N LYS 49.A O no hydrogen 2.908 N/A ILE 54.A N GLN 50.A O no hydrogen 2.796 N/A MET 55.A N GLU 51.A O no hydrogen 3.018 N/A LYS 56.A N ILE 52.A O no hydrogen 2.937 N/A LYS 56.A NZ GLU 53.A OE1 no hydrogen 2.831 N/A LYS 56.A NZ GLU 53.A OE2 no hydrogen 3.555 N/A SER 57.A N GLU 53.A O no hydrogen 3.162 N/A SER 57.A N ILE 54.A O no hydrogen 3.018 N/A SER 57.A OG ILE 54.A O no hydrogen 2.589 N/A LEU 58.A N MET 55.A O no hydrogen 3.246 N/A ASP 59.A N TYR 116.A OH no hydrogen 2.980 N/A ASN 62.A N HIS 60.A ND1 no hydrogen 2.951 N/A ASN 62.A ND2 LEU 143.A O no hydrogen 2.986 N/A ILE 63.A N HIS 60.A O no hydrogen 3.059 N/A ILE 64.A N LEU 145.A O no hydrogen 2.925 N/A ARG 65.A N GLU 81.A OE1 no hydrogen 2.808 N/A TYR 67.A N VAL 79.A O no hydrogen 2.792 N/A PHE 70.A N TYR 77.A O no hydrogen 3.035 N/A ASP 72.A N ASP 75.A O no hydrogen 3.091 N/A THR 74.A N ASP 72.A OD1 no hydrogen 2.981 N/A THR 74.A OG1 ASP 75.A OD2 no hydrogen 2.549 N/A ASP 75.A N ASP 72.A OD1 no hydrogen 2.727 N/A ILE 76.A N ILE 37.A O no hydrogen 2.813 N/A TYR 77.A N PHE 70.A O no hydrogen 2.905 N/A LEU 78.A N LYS 35.A O no hydrogen 2.937 N/A VAL 79.A N GLU 68.A O no hydrogen 2.943 N/A MET 80.A N ALA 33.A O no hydrogen 2.724 N/A GLU 81.A N ARG 65.A O no hydrogen 3.149 N/A THR 84.A N LEU 135.A O no hydrogen 2.900 N/A THR 84.A OG1 LEU 135.A O no hydrogen 3.452 N/A GLY 85.A N PHE 134.A O no hydrogen 3.002 N/A LEU 88.A N PHE 132.A O no hydrogen 3.052 N/A ARG 91.A N GLU 87.A O no hydrogen 3.344 N/A VAL 92.A N LEU 88.A O no hydrogen 2.854 N/A VAL 93.A N PHE 89.A O no hydrogen 3.015 N/A HIS 94.A N GLU 90.A O no hydrogen 3.082 N/A HIS 94.A ND1 GLU 90.A O no hydrogen 2.765 N/A LYS 95.A N ARG 91.A O no hydrogen 2.859 N/A ARG 96.A N VAL 92.A O no hydrogen 2.859 N/A VAL 97.A N LYS 95.A O no hydrogen 2.806 N/A PHE 98.A N LEU 195.A O no hydrogen 2.885 N/A ALA 103.A N ARG 99.A O no hydrogen 3.025 N/A ALA 104.A N GLU 100.A O no hydrogen 2.849 N/A ARG 105.A N SER 101.A O no hydrogen 3.093 N/A ARG 105.A NH1 SER 141.A O no hydrogen 2.485 N/A ILE 106.A N ASP 102.A O no hydrogen 3.130 N/A MET 107.A N ALA 103.A O no hydrogen 2.857 N/A LYS 108.A N ALA 104.A O no hydrogen 2.815 N/A ASP 109.A N ARG 105.A O no hydrogen 3.395 N/A VAL 110.A N ILE 106.A O no hydrogen 3.046 N/A LEU 111.A N MET 107.A O no hydrogen 2.865 N/A SER 112.A N LYS 108.A O no hydrogen 2.912 N/A SER 112.A OG LYS 108.A O no hydrogen 2.722 N/A ALA 113.A N ASP 109.A O no hydrogen 3.008 N/A VAL 114.A N VAL 110.A O no hydrogen 3.005 N/A ALA 115.A N LEU 111.A O no hydrogen 2.810 N/A TYR 116.A N SER 112.A O no hydrogen 3.080 N/A CYS 117.A N ALA 113.A O no hydrogen 3.013 N/A CYS 117.A SG ALA 113.A O no hydrogen 3.462 N/A HIS 118.A N VAL 114.A O no hydrogen 2.958 N/A HIS 118.A NE2 ASP 184.A OD2 no hydrogen 2.654 N/A LYS 119.A N ALA 115.A O no hydrogen 3.095 N/A LEU 120.A N TYR 116.A O no hydrogen 3.351 N/A LEU 120.A N CYS 117.A O no hydrogen 2.987 N/A ASN 121.A N HIS 118.A O no hydrogen 3.089 N/A VAL 122.A N CYS 117.A O no hydrogen 2.914 N/A ALA 123.A N ALA 152.A O no hydrogen 2.866 N/A HIS 124.A N ASP 184.A OD2 no hydrogen 2.873 N/A HIS 124.A NE2 ASP 147.A O no hydrogen 2.693 N/A ARG 125.A N ASP 184.A OD1 no hydrogen 2.829 N/A ARG 125.A NE LEU 150.A O no hydrogen 2.770 N/A ARG 125.A NH1 THR 162.A OG1 no hydrogen 3.075 N/A ARG 125.A NH1 TYR 179.A OH no hydrogen 2.856 N/A ARG 125.A NH2 LEU 150.A O no hydrogen 2.992 N/A ASP 126.A N HIS 124.A ND1 no hydrogen 3.002 N/A LYS 128.A NZ THR 166.A OG1 no hydrogen 2.663 N/A GLU 130.A N GLU 130.A OE1 no hydrogen 2.651 N/A ASN 131.A N LYS 128.A O no hydrogen 3.067 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.701 N/A PHE 132.A N PRO 129.A O no hydrogen 3.170 N/A LEU 133.A N LYS 144.A O no hydrogen 2.972 N/A PHE 134.A N GLY 86.A O no hydrogen 2.855 N/A LEU 135.A N PRO 142.A O no hydrogen 3.033 N/A THR 136.A N SER 141.A OG no hydrogen 2.981 N/A SER 138.A N THR 136.A OG1 no hydrogen 3.329 N/A ASP 140.A N SER 138.A OG no hydrogen 3.211 N/A SER 141.A N SER 138.A O no hydrogen 3.319 N/A SER 141.A OG THR 136.A O no hydrogen 3.062 N/A SER 141.A OG PRO 142.A O no hydrogen 3.012 N/A LEU 143.A N ASP 109.A OD2 no hydrogen 2.817 N/A LYS 144.A N LEU 133.A O no hydrogen 2.736 N/A LYS 144.A NZ PRO 61.A O no hydrogen 3.206 N/A LYS 144.A NZ ILE 63.A O no hydrogen 3.175 N/A LYS 144.A NZ GLU 81.A OE1 no hydrogen 2.775 N/A LYS 144.A NZ GLU 81.A OE2 no hydrogen 3.229 N/A LEU 145.A N ASN 62.A O no hydrogen 2.788 N/A ILE 146.A N ASN 131.A O no hydrogen 2.869 N/A GLY 149.A N ASP 147.A OD1 no hydrogen 2.931 N/A ALA 151.A N PHE 148.A O no hydrogen 3.119 N/A ALA 152.A N ALA 123.A O no hydrogen 2.928 N/A ARG 153.A NH1 SER 57.A OG no hydrogen 3.274 N/A PHE 154.A N ASN 121.A O no hydrogen 2.944 N/A LYS 158.A N LYS 155.A O no hydrogen 2.820 N/A MET 160.A N TYR 179.A O no hydrogen 2.870 N/A LYS 163.A NZ LEU 175.A O no hydrogen 2.720 N/A THR 166.A OG1 ASP 126.A OD1 no hydrogen 2.650 N/A TYR 169.A N THR 166.A O no hydrogen 2.893 N/A GLN 173.A NE2 LYS 242.A O no hydrogen 2.781 N/A VAL 174.A N SER 171.A OG no hydrogen 3.310 N/A LEU 175.A N SER 171.A O no hydrogen 3.325 N/A GLU 176.A N PRO 172.A O no hydrogen 3.096 N/A GLY 177.A N VAL 174.A O no hydrogen 2.895 N/A LEU 178.A N GLN 173.A O no hydrogen 3.189 N/A TYR 179.A N MET 160.A O no hydrogen 2.939 N/A TYR 179.A OH THR 162.A O no hydrogen 2.623 N/A CYS 183.A N GLY 180.A O no hydrogen 3.134 N/A CYS 183.A SG GLY 180.A O no hydrogen 3.443 N/A CYS 183.A SG PRO 181.A O no hydrogen 3.978 N/A CYS 183.A SG ASP 184.A OD1 no hydrogen 3.844 N/A ASP 184.A N PRO 181.A O no hydrogen 2.975 N/A GLU 185.A N GLU 185.A OE1 no hydrogen 3.025 N/A TRP 186.A N GLU 182.A O no hydrogen 3.315 N/A SER 187.A N CYS 183.A O no hydrogen 3.137 N/A SER 187.A OG TYR 169.A O no hydrogen 2.739 N/A SER 187.A OG CYS 183.A O no hydrogen 3.288 N/A ALA 188.A N ASP 184.A O no hydrogen 2.874 N/A GLY 189.A N GLU 185.A O no hydrogen 2.894 N/A VAL 190.A N TRP 186.A O no hydrogen 2.987 N/A MET 191.A N SER 187.A O no hydrogen 2.978 N/A MET 192.A N ALA 188.A O no hydrogen 2.935 N/A TYR 193.A N GLY 189.A O no hydrogen 3.029 N/A TYR 193.A OH THR 219.A O no hydrogen 2.651 N/A VAL 194.A N VAL 190.A O no hydrogen 2.969 N/A LEU 195.A N MET 191.A O no hydrogen 2.951 N/A LEU 196.A N MET 192.A O no hydrogen 3.130 N/A LEU 196.A N TYR 193.A O no hydrogen 3.205 N/A CYS 197.A N TYR 193.A O no hydrogen 3.213 N/A CYS 197.A SG TYR 193.A O no hydrogen 3.493 N/A CYS 197.A SG TYR 199.A O no hydrogen 3.368 N/A GLY 198.A N VAL 194.A O no hydrogen 2.854 N/A TYR 199.A OH ASP 224.A OD2 no hydrogen 2.601 N/A THR 206.A OG1 GLU 208.A OE1 no hydrogen 3.078 N/A VAL 209.A N THR 206.A O no hydrogen 3.111 N/A MET 210.A N ASP 207.A O no hydrogen 3.014 N/A LYS 212.A N GLU 208.A O no hydrogen 3.127 N/A LYS 212.A NZ SER 203.A O no hydrogen 2.782 N/A ILE 213.A N VAL 209.A O no hydrogen 2.952 N/A ARG 214.A N MET 210.A O no hydrogen 2.938 N/A GLU 215.A N LEU 211.A O no hydrogen 3.367 N/A GLY 216.A N LYS 212.A O no hydrogen 2.997 N/A LYS 223.A NZ ASP 224.A OD2 no hydrogen 2.731 N/A ASP 224.A N PRO 221.A O no hydrogen 2.993 N/A TRP 225.A N PRO 221.A O no hydrogen 2.919 N/A LEU 226.A N GLU 222.A O no hydrogen 3.187 N/A VAL 228.A N TRP 225.A O no hydrogen 3.041 N/A SER 229.A N GLU 100.A OE2 no hydrogen 2.853 N/A SER 229.A OG GLU 100.A OE1 no hydrogen 2.668 N/A GLN 231.A N GLN 231.A OE1 no hydrogen 2.900 N/A GLN 231.A NE2 GLU 257.A OE2 no hydrogen 2.994 N/A ALA 232.A N SER 229.A OG no hydrogen 3.223 N/A GLU 233.A N SER 229.A O no hydrogen 3.430 N/A SER 234.A N PRO 230.A O no hydrogen 2.787 N/A SER 234.A OG HIS 256.A NE2 no hydrogen 3.031 N/A LEU 235.A N GLN 231.A O no hydrogen 3.002 N/A ILE 236.A N ALA 232.A O no hydrogen 2.983 N/A ARG 237.A N GLU 233.A O no hydrogen 2.941 N/A ARG 238.A N SER 234.A O no hydrogen 3.102 N/A ARG 238.A NH1 GLN 246.A O no hydrogen 3.486 N/A ARG 238.A NH2 GLN 246.A O no hydrogen 2.884 N/A LEU 239.A N LEU 235.A O no hydrogen 2.971 N/A LEU 240.A N ILE 236.A O no hydrogen 2.747 N/A THR 241.A OG1 ARG 237.A O no hydrogen 2.801 N/A THR 241.A OG1 ARG 238.A O no hydrogen 3.275 N/A LYS 242.A NZ ARG 214.A O no hydrogen 2.969 N/A LYS 242.A NZ GLU 215.A O no hydrogen 3.073 N/A GLN 246.A N SER 243.A OG no hydrogen 3.373 N/A ARG 247.A N SER 243.A O no hydrogen 3.027 N/A ARG 247.A NE THR 241.A O no hydrogen 2.777 N/A ARG 247.A NH1 GLU 182.A O no hydrogen 2.895 N/A ARG 247.A NH2 GLN 173.A OE1 no hydrogen 2.869 N/A ARG 247.A NH2 THR 241.A O no hydrogen 2.965 N/A ARG 247.A NH2 LYS 242.A O no hydrogen 3.028 N/A ILE 248.A N ARG 238.A O no hydrogen 3.138 N/A THR 249.A N GLN 252.A OE1 no hydrogen 3.122 N/A SER 250.A N GLU 185.A OE2 no hydrogen 2.824 N/A SER 250.A OG GLU 185.A OE2 no hydrogen 2.824 N/A GLN 252.A N THR 249.A OG1 no hydrogen 3.004 N/A ALA 253.A N THR 249.A O no hydrogen 2.747 N/A LEU 254.A N SER 250.A O no hydrogen 3.025 N/A GLU 255.A N GLN 252.A O no hydrogen 3.063 N/A HIS 256.A N ALA 253.A O no hydrogen 2.994 N/A HIS 256.A NE2 SER 234.A OG no hydrogen 3.031 N/A TRP 258.A N HIS 256.A ND1 no hydrogen 2.920 N/A TRP 258.A NE1 GLU 100.A OE1 no hydrogen 2.956 N/A PHE 259.A N HIS 256.A O no hydrogen 3.200 N/A LYS 261.A N GLU 257.A O no hydrogen 2.916 N/A LYS 261.A NZ LEU 271.A O no hydrogen 2.805 N/A GLN 262.A N TRP 258.A O no hydrogen 2.876 N/A LEU 263.A N PHE 259.A O no hydrogen 2.890 N/A SER 264.A N GLU 260.A O no hydrogen 3.179 N/A SER 266.A N SER 264.A OG no hydrogen 3.098 N/A ASN 269.A N SER 266.A O no hydrogen 2.764 N/A ASN 269.A ND2 SER 266.A O no hydrogen 3.453 N/A LEU 270.A N PRO 267.A O no hydrogen 3.026 N/A