Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pa3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N PRO 1.A O no hydrogen 2.262 N/A ASP 5.A N PHE 2.A O no hydrogen 2.979 N/A ASP 7.A N VAL 24.A O no hydrogen 2.924 N/A VAL 9.A N LEU 22.A O no hydrogen 2.867 N/A THR 11.A OG1 GLU 19.A OE2 no hydrogen 2.330 N/A LEU 12.A N VAL 20.A O no hydrogen 2.621 N/A GLY 13.A N VAL 20.A O no hydrogen 3.175 N/A GLU 19.A N ILE 36.A O no hydrogen 3.024 N/A VAL 20.A N GLY 13.A O no hydrogen 2.816 N/A GLN 21.A N VAL 34.A O no hydrogen 2.821 N/A GLN 21.A NE2 GLU 19.A OE2 no hydrogen 3.012 N/A LEU 22.A N GLN 10.A O no hydrogen 2.717 N/A ALA 23.A N VAL 32.A O no hydrogen 2.861 N/A VAL 24.A N ASP 7.A O no hydrogen 2.857 N/A ASN 25.A N GLU 30.A O no hydrogen 2.826 N/A ASN 25.A ND2 VAL 3.A O no hydrogen 2.767 N/A ARG 26.A N ASP 5.A O no hydrogen 2.915 N/A ARG 26.A NH1 ASP 5.A OD2 no hydrogen 3.563 N/A VAL 27.A N ASN 25.A OD1 no hydrogen 2.870 N/A THR 28.A N ASN 25.A OD1 no hydrogen 2.930 N/A GLU 29.A N ASN 25.A O no hydrogen 2.877 N/A GLU 30.A N THR 28.A OG1 no hydrogen 3.137 N/A VAL 32.A N ALA 23.A O no hydrogen 2.880 N/A ALA 33.A N LEU 73.A O no hydrogen 2.819 N/A VAL 34.A N GLN 21.A O no hydrogen 2.709 N/A LYS 35.A N LEU 71.A O no hydrogen 2.792 N/A LYS 35.A NZ GLU 44.A OE1 no hydrogen 3.512 N/A LYS 35.A NZ GLU 44.A OE2 no hydrogen 2.824 N/A ILE 36.A N GLU 19.A O no hydrogen 2.680 N/A VAL 37.A N GLN 69.A O no hydrogen 2.989 N/A ASP 38.A N TYR 17.A O no hydrogen 3.058 N/A MET 39.A N VAL 37.A O no hydrogen 3.218 N/A MET 39.A N ASP 38.A OD1 no hydrogen 3.169 N/A MET 39.A N ASN 67.A O no hydrogen 2.600 N/A LYS 43.A NZ THR 142.A OG1 no hydrogen 2.711 N/A GLU 44.A N ASN 40.A O no hydrogen 3.104 N/A ILE 45.A N ILE 41.A O no hydrogen 2.989 N/A CYS 46.A N.A LYS 42.A O no hydrogen 2.985 N/A CYS 46.A N.B LYS 42.A O no hydrogen 2.974 N/A CYS 46.A SG.A LYS 42.A O no hydrogen 3.180 N/A ILE 47.A N LYS 43.A O no hydrogen 2.919 N/A ASN 48.A N GLU 44.A O no hydrogen 2.971 N/A ASN 48.A ND2 GLU 44.A O no hydrogen 2.942 N/A LYS 49.A N ILE 45.A O no hydrogen 3.059 N/A MET 50.A N ILE 47.A O no hydrogen 2.939 N/A LEU 51.A N ASN 48.A O no hydrogen 3.102 N/A ASN 52.A N TYR 109.A OH no hydrogen 2.828 N/A GLU 54.A N GLU 54.A OE1 no hydrogen 2.875 N/A ASN 55.A N HIS 53.A ND1 no hydrogen 2.911 N/A ASN 55.A ND2 LEU 133.A O no hydrogen 2.908 N/A VAL 56.A N HIS 53.A O no hydrogen 3.106 N/A VAL 57.A N ILE 135.A O no hydrogen 2.907 N/A LYS 58.A N GLU 74.A OE1 no hydrogen 2.911 N/A TYR 60.A N PHE 72.A O no hydrogen 2.817 N/A ARG 63.A N TYR 70.A O no hydrogen 2.861 N/A GLU 65.A N ILE 68.A O no hydrogen 3.206 N/A GLN 69.A N VAL 37.A O no hydrogen 2.935 N/A TYR 70.A N ARG 63.A O no hydrogen 2.718 N/A TYR 70.A N GLN 69.A OE1 no hydrogen 2.751 N/A LEU 71.A N LYS 35.A O no hydrogen 2.913 N/A PHE 72.A N GLY 61.A O no hydrogen 2.819 N/A LEU 73.A N ALA 33.A O no hydrogen 2.810 N/A GLU 74.A N LYS 58.A O no hydrogen 2.908 N/A CYS 76.A SG GLU 74.A O no hydrogen 3.793 N/A GLY 78.A N LEU 127.A O no hydrogen 2.720 N/A GLY 79.A N CYS 76.A O no hydrogen 3.084 N/A LEU 81.A N LEU 125.A O no hydrogen 2.775 N/A PHE 82.A N PRO 122.A O no hydrogen 3.168 N/A ASP 83.A N GLU 80.A O no hydrogen 3.048 N/A ARG 84.A N LEU 81.A O no hydrogen 2.849 N/A ARG 84.A NH1 ASP 131.A OD1 no hydrogen 3.165 N/A ARG 84.A NH1 ASP 131.A OD2 no hydrogen 3.071 N/A ARG 84.A NH2 GLY 78.A O no hydrogen 2.990 N/A ARG 84.A NH2 ASP 131.A OD1 no hydrogen 3.097 N/A ILE 85.A N PHE 82.A O no hydrogen 3.175 N/A GLU 86.A N GLY 90.A O no hydrogen 2.898 N/A ASP 88.A N GLY 193.A O no hydrogen 2.804 N/A ILE 89.A N GLU 86.A O no hydrogen 2.906 N/A GLY 90.A N GLU 86.A O no hydrogen 2.806 N/A ASP 95.A N.B PRO 92.A O no hydrogen 2.932 N/A ALA 96.A N PRO 92.A O no hydrogen 3.065 N/A GLN 97.A N GLU 93.A O no hydrogen 2.899 N/A GLN 97.A NE2 TRP 253.A O no hydrogen 2.886 N/A GLN 97.A NE2 LYS 256.A O no hydrogen 2.844 N/A ARG 98.A N PRO 94.A O no hydrogen 3.071 N/A ARG 98.A NH1 ASP 131.A O no hydrogen 2.829 N/A ARG 98.A NH2 ASP 131.A O no hydrogen 3.215 N/A PHE 99.A N ASP 95.A O.A no hydrogen 2.932 N/A PHE 99.A N ASP 95.A O.B no hydrogen 3.037 N/A PHE 100.A N ALA 96.A O no hydrogen 2.855 N/A HIS 101.A N GLN 97.A O no hydrogen 2.825 N/A HIS 101.A NE2 TYR 254.A O no hydrogen 2.777 N/A GLN 102.A N ARG 98.A O no hydrogen 3.069 N/A LEU 103.A N PHE 99.A O no hydrogen 2.822 N/A MET 104.A N PHE 100.A O no hydrogen 2.877 N/A ALA 105.A N HIS 101.A O no hydrogen 2.959 N/A GLY 106.A N GLN 102.A O no hydrogen 2.980 N/A VAL 107.A N LEU 103.A O no hydrogen 2.870 N/A VAL 108.A N MET 104.A O no hydrogen 2.792 N/A TYR 109.A N ALA 105.A O no hydrogen 3.067 N/A TYR 109.A OH MET 50.A O no hydrogen 3.387 N/A LEU 110.A N GLY 106.A O no hydrogen 2.993 N/A HIS 111.A N VAL 107.A O no hydrogen 2.869 N/A HIS 111.A NE2 ASP 179.A OD2 no hydrogen 2.811 N/A GLY 112.A N VAL 108.A O no hydrogen 2.857 N/A ILE 113.A N TYR 109.A O no hydrogen 3.201 N/A ILE 113.A N LEU 110.A O no hydrogen 3.032 N/A GLY 114.A N HIS 111.A O no hydrogen 2.975 N/A ILE 115.A N LEU 110.A O no hydrogen 2.912 N/A THR 116.A N THR 142.A O no hydrogen 2.937 N/A THR 116.A OG1 ASP 179.A OD2 no hydrogen 2.673 N/A HIS 117.A N ASP 179.A OD2 no hydrogen 3.239 N/A HIS 117.A NE2 SER 136.A O no hydrogen 2.805 N/A ARG 118.A N ASP 179.A OD1 no hydrogen 3.108 N/A ARG 118.A NE LEU 140.A O no hydrogen 2.664 N/A ARG 118.A NH2 LEU 140.A O no hydrogen 3.167 N/A ASP 119.A N HIS 117.A ND1 no hydrogen 2.992 N/A LYS 121.A NZ THR 159.A OG1 no hydrogen 2.813 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.702 N/A ASN 124.A N LYS 121.A O no hydrogen 2.866 N/A ASN 124.A ND2 ASP 119.A O no hydrogen 2.891 N/A ASN 124.A ND2 ASP 119.A OD2 no hydrogen 3.141 N/A LEU 125.A N PRO 122.A O no hydrogen 3.413 N/A LEU 126.A N LYS 134.A O no hydrogen 2.849 N/A LEU 127.A N GLY 79.A O no hydrogen 2.827 N/A ASP 128.A N ASN 132.A O no hydrogen 3.007 N/A ARG 130.A N ASP 128.A OD1 no hydrogen 2.812 N/A ASP 131.A N ASP 128.A O no hydrogen 2.953 N/A ASN 132.A N ASP 128.A OD1 no hydrogen 2.886 N/A ASN 132.A ND2 ASP 128.A OD2 no hydrogen 3.185 N/A LEU 133.A N GLN 102.A OE1 no hydrogen 2.782 N/A LYS 134.A N LEU 126.A O no hydrogen 2.692 N/A LYS 134.A NZ GLU 54.A O no hydrogen 2.896 N/A LYS 134.A NZ GLU 74.A OE2 no hydrogen 2.831 N/A ILE 135.A N ASN 55.A O no hydrogen 2.796 N/A SER 136.A N ASN 124.A O no hydrogen 2.895 N/A SER 136.A OG ASP 137.A OD1 no hydrogen 2.527 N/A ALA 141.A N PHE 138.A O no hydrogen 3.075 N/A THR 142.A N THR 116.A O no hydrogen 3.052 N/A PHE 144.A N GLY 114.A O no hydrogen 2.837 N/A ARG 145.A N GLY 114.A O no hydrogen 3.404 N/A ARG 145.A NH1 HIS 111.A O no hydrogen 2.769 N/A ARG 145.A NH2 HIS 111.A O no hydrogen 3.318 N/A TYR 146.A N ARG 149.A O no hydrogen 3.056 N/A ARG 149.A N TYR 146.A O no hydrogen 2.963 N/A ARG 151.A N.A PHE 144.A O no hydrogen 2.800 N/A ARG 151.A N.B PHE 144.A O no hydrogen 2.826 N/A LEU 153.A N PHE 173.A O no hydrogen 2.888 N/A THR 159.A OG1 ASP 119.A OD1 no hydrogen 2.720 N/A TYR 162.A N THR 159.A O no hydrogen 2.801 N/A VAL 163.A N.A LEU 160.A O no hydrogen 3.240 N/A VAL 163.A N.B THR 159.A O no hydrogen 3.127 N/A VAL 163.A N.B LEU 160.A O no hydrogen 3.239 N/A GLU 166.A N GLU 166.A OE1 no hydrogen 2.731 N/A LEU 167.A N.A ALA 164.A O no hydrogen 3.093 N/A LEU 167.A N.B ALA 164.A O no hydrogen 3.083 N/A LEU 168.A N PRO 165.A O no hydrogen 3.007 N/A LYS 169.A N PRO 165.A O no hydrogen 3.208 N/A LYS 169.A N GLU 166.A O no hydrogen 3.246 N/A LYS 169.A NZ GLU 237.A OE2 no hydrogen 3.374 N/A ARG 170.A N GLU 166.A O no hydrogen 2.840 N/A PHE 173.A N LEU 153.A O no hydrogen 2.960 N/A HIS 174.A ND1 GLU 150.A OE2 no hydrogen 2.772 N/A VAL 178.A N ALA 175.A O no hydrogen 3.123 N/A ASP 179.A N ALA 175.A O no hydrogen 3.405 N/A VAL 180.A N GLU 176.A O no hydrogen 3.017 N/A TRP 181.A N PRO 177.A O no hydrogen 2.995 N/A SER 182.A N.A VAL 178.A O no hydrogen 3.162 N/A SER 182.A N.B VAL 178.A O no hydrogen 3.142 N/A SER 182.A OG.A VAL 178.A O no hydrogen 3.522 N/A SER 182.A OG.A ASP 179.A O no hydrogen 2.967 N/A SER 182.A OG.B TYR 162.A O no hydrogen 2.756 N/A SER 182.A OG.B VAL 178.A O no hydrogen 3.383 N/A CYS 183.A N ASP 179.A O no hydrogen 3.100 N/A CYS 183.A SG ASP 179.A O no hydrogen 3.302 N/A GLY 184.A N VAL 180.A O no hydrogen 3.045 N/A ILE 185.A N TRP 181.A O no hydrogen 3.022 N/A VAL 186.A N SER 182.A O.A no hydrogen 2.852 N/A VAL 186.A N SER 182.A O.B no hydrogen 2.952 N/A LEU 187.A N CYS 183.A O no hydrogen 2.930 N/A THR 188.A N GLY 184.A O no hydrogen 2.944 N/A THR 188.A OG1 GLY 184.A O no hydrogen 2.960 N/A ALA 189.A N ILE 185.A O no hydrogen 2.946 N/A MET 190.A N VAL 186.A O no hydrogen 2.895 N/A LEU 191.A N LEU 187.A O no hydrogen 3.058 N/A LEU 191.A N THR 188.A O no hydrogen 3.174 N/A ALA 192.A N THR 188.A O no hydrogen 2.907 N/A GLY 193.A N ALA 189.A O no hydrogen 2.794 N/A GLN 199.A NE2 SER 201.A OG.A no hydrogen 2.710 N/A SER 201.A N.A GLN 199.A O no hydrogen 2.938 N/A SER 201.A N.B GLN 199.A O no hydrogen 2.948 N/A CYS 204.A N SER 201.A O.A no hydrogen 2.994 N/A CYS 204.A N SER 201.A O.B no hydrogen 2.991 N/A CYS 204.A SG GLU 206.A OE1 no hydrogen 3.633 N/A GLN 205.A NE2 GLN 205.A O no hydrogen 3.389 N/A GLN 205.A NE2 ASP 209.A OD1 no hydrogen 3.049 N/A SER 208.A N CYS 204.A O no hydrogen 3.018 N/A SER 208.A OG CYS 204.A O no hydrogen 3.463 N/A ASP 209.A N GLN 205.A O no hydrogen 2.847 N/A TRP 210.A N GLU 206.A O no hydrogen 3.210 N/A TRP 210.A NE1 LEU 235.A O no hydrogen 2.916 N/A LYS 211.A N TYR 207.A O no hydrogen 3.010 N/A GLU 212.A N SER 208.A O no hydrogen 2.877 N/A LYS 213.A N TRP 210.A O no hydrogen 2.845 N/A LYS 214.A N ASP 209.A O no hydrogen 3.059 N/A LYS 214.A NZ ASP 209.A OD1 no hydrogen 3.411 N/A LYS 214.A NZ GLU 212.A OE1 no hydrogen 2.923 N/A THR 215.A N LYS 213.A O no hydrogen 2.815 N/A LEU 217.A N LYS 214.A O no hydrogen 3.218 N/A LYS 221.A N LEU 217.A O no hydrogen 2.908 N/A LYS 221.A NZ TYR 216.A O no hydrogen 2.723 N/A LYS 222.A N PRO 219.A O no hydrogen 3.010 N/A LYS 222.A NZ ASP 88.A O no hydrogen 3.220 N/A LYS 222.A NZ ASP 88.A OD1 no hydrogen 3.405 N/A LYS 222.A NZ ALA 192.A O no hydrogen 2.954 N/A LYS 222.A NZ GLU 194.A OE2 no hydrogen 2.584 N/A ILE 223.A N TRP 220.A O no hydrogen 2.979 N/A ALA 226.A N ASP 224.A OD2 no hydrogen 3.120 N/A LEU 228.A N ASP 224.A O no hydrogen 2.970 N/A ALA 229.A N SER 225.A O no hydrogen 2.913 N/A ALA 229.A N ALA 226.A O no hydrogen 3.119 N/A LEU 230.A N ALA 226.A O no hydrogen 3.356 N/A LEU 231.A N PRO 227.A O no hydrogen 2.938 N/A HIS 232.A N LEU 228.A O no hydrogen 2.901 N/A LYS 233.A N LEU 230.A O no hydrogen 2.884 N/A LYS 233.A NZ ASP 251.A OD1 no hydrogen 2.694 N/A ILE 234.A N LEU 230.A O no hydrogen 2.996 N/A LEU 235.A N LEU 231.A O no hydrogen 2.875 N/A SER 240.A N ASN 238.A OD1 no hydrogen 2.860 N/A ALA 241.A N ASN 238.A O no hydrogen 2.978 N/A ARG 242.A N ASN 238.A O no hydrogen 3.089 N/A ARG 242.A NE VAL 236.A O no hydrogen 2.939 N/A ARG 242.A NH1 GLU 166.A OE1 no hydrogen 3.498 N/A ARG 242.A NH1 GLU 166.A OE2 no hydrogen 2.817 N/A ARG 242.A NH1 PRO 177.A O no hydrogen 2.901 N/A ARG 242.A NH2 GLU 166.A OE1 no hydrogen 2.788 N/A ARG 242.A NH2 VAL 236.A O no hydrogen 2.919 N/A ILE 243.A N LYS 233.A O no hydrogen 3.131 N/A ASP 247.A N THR 244.A O no hydrogen 3.065 N/A ILE 248.A N THR 244.A O no hydrogen 2.932 N/A LYS 249.A N ILE 245.A O no hydrogen 2.979 N/A LYS 250.A N ASP 247.A O no hydrogen 2.967 N/A LYS 250.A NZ ASP 247.A OD1 no hydrogen 2.745 N/A ASP 251.A N ILE 248.A O no hydrogen 2.971 N/A TRP 253.A NE1 GLU 93.A OE2 no hydrogen 2.776 N/A TYR 254.A N ASP 251.A OD2 no hydrogen 2.859 N/A ASN 255.A N ASP 251.A O no hydrogen 3.101 N/A ASN 255.A N ARG 252.A O no hydrogen 3.085 N/A ASN 255.A ND2 LYS 249.A O no hydrogen 2.780 N/A ASN 255.A ND2 ASP 251.A O no hydrogen 2.977 N/A LYS 256.A N TRP 253.A O no hydrogen 2.995 N/A LYS 260.A NZ ASP 95.A OD1.A no hydrogen 3.402 N/A LYS 260.A NZ ASP 95.A OD1.B no hydrogen 2.836 N/A LYS 260.A NZ ASP 95.A OD2.A no hydrogen 2.766 N/A LYS 260.A NZ ASP 95.A OD2.B no hydrogen 2.999 N/A