Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1pk9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N ALA 7.A O no hydrogen 2.915 N/A ALA 1.A N GLU 8.A OE1 no hydrogen 3.328 N/A ALA 1.A N GLU 8.A OE2 no hydrogen 3.219 N/A THR 2.A N ILE 5.A O no hydrogen 2.874 N/A THR 2.A OG1 ILE 5.A O no hydrogen 3.426 N/A THR 2.A OG1 GLU 75.A OE1 no hydrogen 2.573 N/A HIS 4.A N GLU 75.A OE1 no hydrogen 3.338 N/A HIS 4.A ND1 GLU 75.A OE2 no hydrogen 2.740 N/A ILE 5.A N THR 2.A O no hydrogen 3.318 N/A ALA 7.A N ILE 5.A O no hydrogen 3.038 N/A GLU 8.A N ASP 11.A OD2 no hydrogen 2.793 N/A ASP 11.A N GLU 8.A O no hydrogen 2.928 N/A ALA 13.A N SER 58.A OG no hydrogen 2.866 N/A VAL 16.A N LYS 84.A O no hydrogen 3.028 N/A LEU 17.A N SER 58.A O no hydrogen 2.952 N/A MET 18.A N ILE 86.A O no hydrogen 2.831 N/A LEU 23.A N ASP 21.A OD1 no hydrogen 2.855 N/A ARG 24.A N ASP 21.A O no hydrogen 2.938 N/A ALA 25.A N PRO 22.A O no hydrogen 3.082 N/A ILE 28.A N ARG 24.A O no hydrogen 3.020 N/A ALA 29.A N ALA 25.A O no hydrogen 3.124 N/A GLU 30.A N LYS 26.A O no hydrogen 3.024 N/A THR 31.A N TYR 27.A O no hydrogen 2.880 N/A THR 31.A OG1 TYR 27.A O no hydrogen 2.816 N/A PHE 32.A N ILE 28.A O no hydrogen 2.879 N/A LEU 33.A N ALA 29.A O no hydrogen 3.172 N/A GLU 34.A N THR 51.A O no hydrogen 2.872 N/A ARG 37.A N THR 49.A O no hydrogen 2.899 N/A VAL 39.A N GLY 47.A O no hydrogen 2.836 N/A GLY 44.A N ASN 41.A O no hydrogen 2.966 N/A MET 45.A N VAL 42.A O no hydrogen 2.983 N/A LEU 46.A N GLY 44.A O no hydrogen 3.077 N/A GLY 47.A N ASN 40.A O no hydrogen 3.101 N/A PHE 48.A N VAL 59.A O no hydrogen 2.802 N/A THR 49.A N ARG 37.A O no hydrogen 2.998 N/A THR 49.A OG1 ASP 11.A O no hydrogen 2.776 N/A THR 49.A OG1 SER 58.A OG no hydrogen 2.724 N/A GLY 50.A N ILE 57.A O no hydrogen 2.828 N/A THR 51.A N GLU 34.A O no hydrogen 3.096 N/A TYR 52.A N ARG 55.A O no hydrogen 2.757 N/A TYR 52.A OH GLU 230.A OE2 no hydrogen 2.473 N/A LYS 53.A NZ GLU 230.A OE2 no hydrogen 2.854 N/A ARG 55.A N TYR 52.A O no hydrogen 2.894 N/A ARG 55.A NE ASP 236.A OD1 no hydrogen 2.840 N/A ARG 55.A NH1 ASP 14.A OD2 no hydrogen 3.226 N/A ARG 55.A NH1 ASP 236.A OD2 no hydrogen 3.244 N/A ARG 55.A NH2 ASP 14.A OD2 no hydrogen 2.577 N/A ARG 55.A NH2 LYS 56.A O no hydrogen 3.046 N/A LYS 56.A NZ GLY 10.A O no hydrogen 3.170 N/A ILE 57.A N GLY 50.A O no hydrogen 2.801 N/A SER 58.A N VAL 15.A O no hydrogen 3.249 N/A SER 58.A OG THR 49.A OG1 no hydrogen 2.724 N/A VAL 59.A N PHE 48.A O no hydrogen 2.817 N/A MET 60.A N LEU 17.A O no hydrogen 3.188 N/A HIS 62.A N PRO 19.A O no hydrogen 3.001 N/A GLY 65.A N GLU 181.A OE2 no hydrogen 3.029 N/A SER 68.A OG HIS 62.A O no hydrogen 2.673 N/A CYS 69.A N GLY 65.A O no hydrogen 3.189 N/A CYS 69.A SG GLY 65.A O no hydrogen 3.544 N/A CYS 69.A SG ILE 66.A O no hydrogen 3.404 N/A CYS 69.A SG GLU 181.A O no hydrogen 3.878 N/A SER 70.A N ILE 66.A O no hydrogen 2.934 N/A SER 70.A OG ILE 66.A O no hydrogen 2.582 N/A ILE 71.A N SER 68.A O no hydrogen 3.166 N/A TYR 72.A N SER 68.A O no hydrogen 3.499 N/A THR 73.A N CYS 69.A O no hydrogen 2.990 N/A THR 73.A OG1 CYS 69.A O no hydrogen 2.846 N/A THR 73.A OG1 SER 70.A O no hydrogen 3.486 N/A LYS 74.A N SER 70.A O no hydrogen 3.224 N/A LYS 74.A NZ THR 78.A OG1 no hydrogen 3.032 N/A GLU 75.A N ILE 71.A O no hydrogen 3.135 N/A LEU 76.A N TYR 72.A O no hydrogen 3.039 N/A ILE 77.A N THR 73.A O no hydrogen 3.107 N/A THR 78.A N LYS 74.A O no hydrogen 2.945 N/A THR 78.A OG1 LYS 74.A O no hydrogen 3.168 N/A THR 78.A OG1 ASP 79.A OD1 no hydrogen 2.555 N/A ASP 79.A N GLU 75.A O no hydrogen 2.883 N/A PHE 80.A N LEU 76.A O no hydrogen 3.065 N/A VAL 82.A N LEU 76.A O no hydrogen 3.213 N/A LYS 83.A N ASP 14.A O no hydrogen 2.815 N/A LYS 84.A N ASP 14.A O no hydrogen 3.087 N/A ILE 85.A N LYS 195.A O no hydrogen 2.946 N/A ILE 86.A N VAL 16.A O no hydrogen 2.928 N/A ARG 87.A N LEU 197.A O no hydrogen 2.813 N/A ARG 87.A NE GLU 179.A OE2 no hydrogen 3.193 N/A VAL 88.A N MET 18.A O no hydrogen 3.008 N/A GLY 89.A N ILE 199.A O no hydrogen 3.037 N/A CYS 91.A N THR 201.A O no hydrogen 3.106 N/A GLY 92.A N VAL 178.A O no hydrogen 3.029 N/A ALA 93.A N ASP 204.A O no hydrogen 2.844 N/A VAL 98.A N LEU 95.A O no hydrogen 3.295 N/A LYS 99.A N ASP 102.A OD1 no hydrogen 2.815 N/A ARG 101.A N VAL 202.A O no hydrogen 2.739 N/A ARG 101.A NE THR 220.A OG1 no hydrogen 2.858 N/A ARG 101.A NH2 GLU 216.A O no hydrogen 3.344 N/A ARG 101.A NH2 THR 220.A OG1 no hydrogen 3.372 N/A ASP 102.A N LYS 99.A O no hydrogen 2.991 N/A VAL 104.A N CYS 200.A O no hydrogen 2.714 N/A ILE 105.A N ARG 149.A O no hydrogen 2.829 N/A GLY 106.A N THR 198.A O no hydrogen 3.050 N/A MET 107.A N GLY 151.A O no hydrogen 2.999 N/A GLY 108.A N GLY 151.A O no hydrogen 3.515 N/A ALA 109.A N ALA 127.A O no hydrogen 2.953 N/A CYS 110.A N LEU 153.A O no hydrogen 2.738 N/A CYS 110.A SG ASN 152.A OD1 no hydrogen 3.449 N/A CYS 110.A SG LEU 153.A O no hydrogen 3.878 N/A THR 111.A OG1 SER 155.A O no hydrogen 2.770 N/A SER 113.A N THR 111.A OG1 no hydrogen 3.074 N/A VAL 115.A N SER 113.A OG no hydrogen 3.160 N/A ILE 118.A N LYS 114.A O no hydrogen 3.025 N/A ARG 119.A N VAL 115.A O no hydrogen 3.194 N/A ARG 119.A NE GLU 191.A OE1 no hydrogen 2.772 N/A ARG 119.A NH2 GLU 191.A OE1 no hydrogen 3.447 N/A PHE 120.A N ASN 116.A O no hydrogen 2.635 N/A ASP 122.A N ARG 117.A O no hydrogen 2.751 N/A HIS 123.A N PHE 120.A O no hydrogen 2.951 N/A ALA 129.A N MET 107.A O no hydrogen 2.887 N/A ASP 130.A N ALA 196.A O no hydrogen 3.088 N/A MET 133.A N ASP 130.A OD1 no hydrogen 3.031 N/A VAL 134.A N ASP 130.A O no hydrogen 3.076 N/A ARG 135.A N PHE 131.A O no hydrogen 2.924 N/A ARG 135.A NH2 ASP 132.A OD1 no hydrogen 2.666 N/A ASN 136.A N ASP 132.A O no hydrogen 2.816 N/A ALA 137.A N MET 133.A O no hydrogen 3.060 N/A VAL 138.A N VAL 134.A O no hydrogen 3.037 N/A ASP 139.A N ARG 135.A O no hydrogen 3.022 N/A ALA 140.A N ASN 136.A O no hydrogen 2.908 N/A ALA 141.A N ALA 137.A O no hydrogen 2.993 N/A LYS 142.A N VAL 138.A O no hydrogen 3.085 N/A LYS 142.A NZ ASP 139.A OD1 no hydrogen 3.276 N/A ALA 143.A N ASP 139.A O no hydrogen 2.991 N/A LEU 144.A N ALA 140.A O no hydrogen 3.137 N/A LEU 144.A N ALA 141.A O no hydrogen 2.942 N/A GLY 145.A N LYS 142.A O no hydrogen 2.834 N/A ILE 146.A N ALA 141.A O no hydrogen 2.799 N/A ASP 147.A N ASP 147.A OD1 no hydrogen 2.554 N/A ARG 149.A N VAL 103.A O no hydrogen 3.194 N/A ARG 149.A NE ASP 102.A OD1 no hydrogen 2.974 N/A ARG 149.A NH2 ASP 102.A OD1 no hydrogen 2.742 N/A GLY 151.A N ILE 105.A O no hydrogen 3.092 N/A LEU 153.A N GLY 108.A O no hydrogen 2.996 N/A PHE 154.A N GLY 177.A O no hydrogen 3.042 N/A SER 155.A N CYS 110.A O no hydrogen 2.827 N/A SER 155.A OG GLU 179.A OE1 no hydrogen 2.613 N/A ALA 156.A N GLU 179.A O no hydrogen 2.871 N/A ASP 157.A N ASP 112.A OD2 no hydrogen 2.978 N/A GLU 165.A N ASP 163.A OD2 no hydrogen 2.908 N/A PHE 167.A N GLY 164.A O no hydrogen 3.078 N/A ASP 168.A N GLU 165.A O no hydrogen 3.108 N/A MET 170.A N MET 166.A O no hydrogen 2.875 N/A GLU 171.A N PHE 167.A O no hydrogen 3.053 N/A LYS 172.A N ASP 168.A O no hydrogen 2.997 N/A TYR 173.A N VAL 169.A O no hydrogen 3.051 N/A GLY 174.A N GLU 171.A O no hydrogen 3.217 N/A ILE 175.A N MET 170.A O no hydrogen 3.076 N/A LEU 176.A N ASN 152.A O no hydrogen 2.841 N/A VAL 178.A N GLY 92.A O no hydrogen 2.681 N/A GLU 179.A N PHE 154.A O no hydrogen 2.970 N/A GLU 181.A N GLU 179.A OE1 no hydrogen 3.354 N/A GLU 181.A N GLU 179.A OE2 no hydrogen 2.969 N/A ALA 182.A N GLU 179.A OE2 no hydrogen 2.789 N/A ALA 183.A N SER 155.A OG no hydrogen 2.908 N/A GLY 184.A N GLU 181.A O no hydrogen 2.803 N/A ILE 185.A N GLU 181.A O no hydrogen 3.081 N/A TYR 186.A N ALA 182.A O no hydrogen 2.941 N/A TYR 186.A OH GLY 106.A O no hydrogen 2.621 N/A GLY 187.A N ALA 183.A O no hydrogen 3.230 N/A VAL 188.A N GLY 184.A O no hydrogen 3.159 N/A ALA 189.A N ILE 185.A O no hydrogen 2.937 N/A ALA 190.A N TYR 186.A O no hydrogen 3.098 N/A GLU 191.A N GLY 187.A O no hydrogen 2.957 N/A PHE 192.A N VAL 188.A O no hydrogen 2.961 N/A ALA 194.A N ALA 189.A O no hydrogen 2.831 N/A LYS 195.A N LYS 83.A O no hydrogen 2.976 N/A LEU 197.A N ILE 85.A O no hydrogen 2.943 N/A THR 198.A N TYR 186.A OH no hydrogen 3.027 N/A ILE 199.A N ARG 87.A O no hydrogen 2.898 N/A CYS 200.A N VAL 104.A O no hydrogen 2.812 N/A CYS 200.A SG SER 90.A O no hydrogen 4.043 N/A THR 201.A N GLY 89.A O no hydrogen 3.103 N/A THR 201.A OG1 GLY 89.A O no hydrogen 3.530 N/A VAL 202.A N ASP 102.A O no hydrogen 2.834 N/A SER 203.A N CYS 91.A O no hydrogen 2.903 N/A SER 203.A OG CYS 91.A O no hydrogen 3.395 N/A SER 203.A OG ASP 204.A OD1 no hydrogen 3.108 N/A HIS 205.A NE2 LEU 95.A O no hydrogen 2.490 N/A THR 208.A OG1 ARG 207.A O no hydrogen 2.569 N/A THR 213.A N GLU 216.A OE1 no hydrogen 2.697 N/A GLU 216.A N THR 213.A OG1 no hydrogen 3.057 N/A ARG 217.A N THR 213.A O no hydrogen 3.071 N/A ARG 217.A NH1 VAL 202.A O no hydrogen 3.405 N/A GLN 218.A N ALA 214.A O no hydrogen 3.174 N/A THR 219.A N ALA 215.A O no hydrogen 3.110 N/A THR 219.A OG1 ALA 215.A O no hydrogen 3.157 N/A THR 220.A N GLU 216.A O no hydrogen 2.982 N/A THR 220.A OG1 GLU 216.A O no hydrogen 3.183 N/A PHE 221.A N ARG 217.A O no hydrogen 2.895 N/A ASN 222.A N GLN 218.A O no hydrogen 3.042 N/A ASN 222.A ND2 TYR 27.A OH no hydrogen 2.661 N/A ASP 223.A N THR 219.A O no hydrogen 2.921 N/A MET 224.A N THR 220.A O no hydrogen 3.029 N/A ILE 225.A N PHE 221.A O no hydrogen 3.131 N/A LYS 226.A N ASN 222.A O no hydrogen 2.984 N/A ILE 227.A N ASP 223.A O no hydrogen 2.934 N/A ALA 228.A N MET 224.A O no hydrogen 2.971 N/A LEU 229.A N ILE 225.A O no hydrogen 2.901 N/A GLU 230.A N LYS 226.A O no hydrogen 2.895 N/A SER 231.A N ILE 227.A O no hydrogen 2.929 N/A SER 231.A OG ALA 228.A O no hydrogen 2.618 N/A VAL 232.A N ALA 228.A O no hydrogen 3.251 N/A LEU 234.A N GLU 230.A O no hydrogen 3.210 N/A GLY 235.A N SER 231.A O no hydrogen 2.994 N/A ASP 236.A N VAL 232.A O no hydrogen 3.039 N/A ASP 236.A N LEU 233.A O no hydrogen 3.113 N/A LYS 237.A N LEU 234.A O no hydrogen 3.066 N/A