Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aq9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N ALA 18.A O no hydrogen 2.903 N/A ASP 3.A N ILE 20.A O.A no hydrogen 2.994 N/A ASP 3.A N ILE 20.A O.B no hydrogen 2.999 N/A SER 5.A N ASP 3.A OD2 no hydrogen 2.801 N/A SER 5.A OG ASP 3.A OD2 no hydrogen 2.575 N/A ALA 6.A N ASP 3.A O no hydrogen 3.053 N/A PHE 7.A N ALA 24.A O no hydrogen 2.965 N/A HIS 9.A N ILE 26.A O no hydrogen 2.882 N/A THR 11.A N HIS 9.A ND1 no hydrogen 3.058 N/A THR 11.A OG1 HIS 9.A ND1 no hydrogen 2.852 N/A ALA 12.A N HIS 9.A O no hydrogen 2.898 N/A ILE 13.A N CYS 30.A O no hydrogen 2.790 N/A GLU 15.A N VAL 32.A O no hydrogen 2.972 N/A ALA 18.A N GLU 15.A O no hydrogen 3.065 N/A SER 19.A N VAL 36.A O no hydrogen 2.909 N/A ILE 20.A N.A MET 1.A O no hydrogen 3.048 N/A ILE 20.A N.B MET 1.A O no hydrogen 3.040 N/A GLY 21.A N ILE 38.A O.A no hydrogen 2.709 N/A GLY 21.A N ILE 38.A O.B no hydrogen 2.705 N/A ASN 23.A N SER 5.A OG no hydrogen 2.934 N/A ALA 24.A N GLY 21.A O no hydrogen 3.348 N/A HIS 25.A N THR 42.A O no hydrogen 2.852 N/A ILE 26.A N PHE 7.A O no hydrogen 2.829 N/A GLY 27.A N LEU 44.A O no hydrogen 2.691 N/A PHE 29.A N THR 11.A OG1 no hydrogen 3.010 N/A CYS 30.A SG GLY 27.A O no hydrogen 3.377 N/A CYS 30.A SG PRO 28.A O no hydrogen 4.022 N/A CYS 30.A SG LEU 44.A O no hydrogen 3.948 N/A ILE 31.A N VAL 48.A O no hydrogen 2.852 N/A VAL 32.A N ILE 13.A O no hydrogen 2.896 N/A GLY 33.A N VAL 50.A O no hydrogen 2.821 N/A VAL 36.A N GLY 33.A O no hydrogen 3.302 N/A GLU 37.A N THR 54.A O no hydrogen 2.772 N/A ILE 38.A N.A SER 19.A O no hydrogen 2.750 N/A ILE 38.A N.B SER 19.A O no hydrogen 2.741 N/A GLY 39.A N ILE 56.A O no hydrogen 2.730 N/A GLY 41.A N ALA 22.A O no hydrogen 2.889 N/A THR 42.A N GLY 39.A O no hydrogen 3.195 N/A THR 42.A OG1 GLY 57.A O no hydrogen 2.760 N/A VAL 43.A N ASN 60.A O no hydrogen 2.737 N/A LEU 44.A N HIS 25.A O no hydrogen 2.718 N/A LYS 45.A N ILE 62.A O no hydrogen 3.014 N/A LYS 45.A NZ GLU 61.A OE2 no hydrogen 3.426 N/A SER 46.A OG HIS 47.A ND1 no hydrogen 2.939 N/A HIS 47.A N PRO 28.A O no hydrogen 3.003 N/A HIS 47.A ND1 SER 46.A OG no hydrogen 2.939 N/A VAL 49.A N ALA 66.A O no hydrogen 3.199 N/A VAL 50.A N ILE 31.A O no hydrogen 2.859 N/A ASN 51.A N ILE 68.A O no hydrogen 2.994 N/A ASN 51.A ND2 GLU 70.A OE1 no hydrogen 2.999 N/A THR 54.A N HIS 35.A O no hydrogen 3.337 N/A THR 54.A OG1 ASN 51.A O no hydrogen 2.674 N/A LYS 55.A N VAL 84.A O no hydrogen 3.124 N/A ILE 56.A N GLU 37.A O no hydrogen 2.705 N/A GLY 57.A N ILE 86.A O no hydrogen 2.868 N/A ARG 58.A N.A ASP 88.A OD1 no hydrogen 2.743 N/A ARG 58.A N.B ASP 88.A OD1 no hydrogen 2.745 N/A ASP 59.A N GLU 40.A O no hydrogen 2.939 N/A ASN 60.A N THR 42.A OG1 no hydrogen 3.032 N/A ASN 60.A ND2 THR 42.A OG1 no hydrogen 3.283 N/A ASN 60.A ND2 GLY 87.A O no hydrogen 2.866 N/A GLU 61.A N ASN 90.A O no hydrogen 2.967 N/A ILE 62.A N VAL 43.A O no hydrogen 2.827 N/A TYR 63.A N ILE 92.A O no hydrogen 2.759 N/A GLN 64.A N GLN 64.A OE1 no hydrogen 2.686 N/A PHE 65.A N HIS 47.A O no hydrogen 2.810 N/A SER 67.A N.A VAL 96.A O no hydrogen 2.881 N/A SER 67.A N.B VAL 96.A O no hydrogen 2.891 N/A ILE 68.A N VAL 49.A O no hydrogen 2.840 N/A GLY 69.A N ILE 98.A O no hydrogen 2.816 N/A VAL 71.A N GLU 70.A OE2 no hydrogen 2.723 N/A ASN 72.A ND2 ARG 100.A O no hydrogen 3.075 N/A ASP 74.A N ASN 72.A OD1 no hydrogen 2.965 N/A LYS 76.A N ASP 74.A OD1 no hydrogen 2.832 N/A LYS 76.A NZ ASP 74.A OD1 no hydrogen 2.966 N/A LYS 76.A NZ ASP 74.A OD2 no hydrogen 3.284 N/A TYR 77.A N ASP 74.A O no hydrogen 3.140 N/A TYR 77.A OH GLU 80.A O no hydrogen 2.566 N/A ALA 78.A N GLU 80.A OE1 no hydrogen 2.914 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.726 N/A THR 82.A N GLU 80.A O no hydrogen 2.857 N/A THR 82.A OG1 GLY 101.A O no hydrogen 2.666 N/A ARG 83.A N GLY 107.A O no hydrogen 2.928 N/A VAL 84.A N HIS 53.A O no hydrogen 3.119 N/A GLU 85.A N THR 109.A O no hydrogen 2.969 N/A ILE 86.A N LYS 55.A O no hydrogen 2.839 N/A GLY 87.A N VAL 111.A O no hydrogen 2.931 N/A GLY 87.A N GLY 112.A O no hydrogen 2.935 N/A ASP 88.A N SER 113.A OG no hydrogen 2.868 N/A ARG 89.A N ARG 58.A O.A no hydrogen 2.776 N/A ARG 89.A N ARG 58.A O.B no hydrogen 2.781 N/A ARG 89.A NE ASP 114.A OD1 no hydrogen 2.813 N/A ARG 89.A NH2 ASP 114.A OD2 no hydrogen 3.087 N/A ASN 90.A N ASN 60.A OD1 no hydrogen 2.814 N/A ASN 90.A ND2 ASN 60.A OD1 no hydrogen 3.043 N/A ASN 90.A ND2 GLY 112.A O no hydrogen 2.859 N/A ARG 91.A N.A ASN 115.A O no hydrogen 2.935 N/A ARG 91.A N.B ASN 115.A O no hydrogen 2.951 N/A ARG 91.A NH1.A ASP 59.A O no hydrogen 3.247 N/A ARG 91.A NH1.A ASN 90.A O no hydrogen 3.203 N/A ILE 92.A N GLU 61.A O no hydrogen 2.881 N/A ARG 93.A N LEU 117.A O no hydrogen 2.920 N/A ARG 93.A NE GLU 94.A OE1 no hydrogen 3.018 N/A ARG 93.A NH2 GLU 94.A OE1 no hydrogen 2.985 N/A GLU 94.A N GLU 94.A OE1 no hydrogen 2.714 N/A SER 95.A N GLN 64.A O no hydrogen 3.329 N/A VAL 96.A N ARG 93.A O no hydrogen 3.184 N/A THR 97.A N ALA 121.A O no hydrogen 3.119 N/A THR 97.A OG1 HIS 122.A ND1 no hydrogen 2.832 N/A ILE 98.A N SER 67.A O.A no hydrogen 2.978 N/A HIS 99.A N ILE 123.A O no hydrogen 3.000 N/A ARG 100.A N GLU 70.A O no hydrogen 3.039 N/A ARG 100.A NE GLY 69.A O no hydrogen 2.873 N/A ARG 100.A NH1 TYR 77.A OH no hydrogen 3.197 N/A ARG 100.A NH2 ASN 51.A OD1 no hydrogen 3.243 N/A ARG 100.A NH2 GLY 69.A O no hydrogen 3.053 N/A GLY 101.A N ARG 83.A O no hydrogen 3.444 N/A THR 102.A N ASP 126.A OD1 no hydrogen 2.849 N/A THR 102.A OG1 ASP 126.A OD1 no hydrogen 3.499 N/A THR 102.A OG1 ASP 126.A OD2 no hydrogen 2.656 N/A GLN 104.A N GLN 104.A OE1 no hydrogen 2.742 N/A GLY 105.A N THR 102.A O no hydrogen 3.197 N/A GLY 105.A N THR 102.A OG1 no hydrogen 2.965 N/A GLY 106.A N VAL 103.A O no hydrogen 3.118 N/A GLY 107.A N THR 102.A O no hydrogen 2.620 N/A THR 109.A N ARG 83.A O no hydrogen 3.115 N/A THR 109.A OG1 HIS 99.A O no hydrogen 2.602 N/A LYS 110.A N CYS 127.A O no hydrogen 2.843 N/A LYS 110.A NZ GLU 85.A OE1 no hydrogen 2.997 N/A VAL 111.A N GLU 85.A O no hydrogen 2.826 N/A GLY 112.A N VAL 129.A O no hydrogen 2.827 N/A SER 113.A N ASN 131.A OD1 no hydrogen 2.614 N/A ASP 114.A N ASP 88.A O no hydrogen 2.831 N/A ASN 115.A N ASN 90.A OD1 no hydrogen 2.904 N/A ASN 115.A ND2 ASN 90.A OD1 no hydrogen 2.932 N/A ASN 115.A ND2 GLY 130.A O no hydrogen 2.955 N/A LEU 116.A N CYS 133.A O no hydrogen 2.905 N/A LEU 117.A N ARG 91.A O.A no hydrogen 2.892 N/A LEU 117.A N ARG 91.A O.B no hydrogen 2.932 N/A MET 118.A N LEU 135.A O no hydrogen 2.842 N/A ASN 120.A N.A GLU 94.A O no hydrogen 3.026 N/A ASN 120.A N.B GLU 94.A O no hydrogen 3.057 N/A ASN 120.A ND2.A ASN 138.A OD1 no hydrogen 2.690 N/A ASN 120.A ND2.B SER 95.A O no hydrogen 3.670 N/A ALA 121.A N MET 118.A O no hydrogen 3.018 N/A HIS 122.A N ALA 139.A O no hydrogen 2.864 N/A HIS 122.A ND1 THR 97.A OG1 no hydrogen 2.832 N/A ILE 123.A N THR 97.A O no hydrogen 2.860 N/A ALA 124.A N LEU 141.A O no hydrogen 3.213 N/A HIS 125.A ND1 ASP 126.A OD2 no hydrogen 2.847 N/A ASP 126.A N THR 109.A OG1 no hydrogen 2.893 N/A CYS 127.A N ALA 124.A O no hydrogen 3.414 N/A CYS 127.A SG ALA 124.A O no hydrogen 3.343 N/A CYS 127.A SG ALA 142.A O no hydrogen 3.006 N/A THR 128.A N VAL 145.A O no hydrogen 2.863 N/A VAL 129.A N LYS 110.A O no hydrogen 2.723 N/A GLY 130.A N VAL 147.A O no hydrogen 2.853 N/A ASN 131.A N ASP 149.A OD1 no hydrogen 2.824 N/A ASN 131.A ND2 ASP 149.A OD1 no hydrogen 3.408 N/A ARG 132.A N SER 113.A O no hydrogen 2.995 N/A CYS 133.A N ASN 115.A OD1 no hydrogen 2.759 N/A CYS 133.A SG ASN 131.A O no hydrogen 3.805 N/A CYS 133.A SG ASP 148.A O no hydrogen 3.165 N/A ILE 134.A N ALA 151.A O no hydrogen 2.956 N/A LEU 135.A N LEU 116.A O no hydrogen 3.014 N/A ALA 136.A N ILE 153.A O.A no hydrogen 2.913 N/A ALA 136.A N ILE 153.A O.B no hydrogen 2.905 N/A ASN 138.A N ILE 119.A O no hydrogen 2.854 N/A ALA 139.A N ALA 136.A O no hydrogen 2.871 N/A THR 140.A N THR 157.A O no hydrogen 2.757 N/A THR 140.A OG1 ASN 138.A O no hydrogen 2.984 N/A LEU 141.A N HIS 122.A O no hydrogen 2.917 N/A ALA 142.A N VAL 159.A O no hydrogen 2.963 N/A HIS 144.A N HIS 125.A O no hydrogen 3.077 N/A SER 146.A N CYS 163.A O no hydrogen 2.996 N/A VAL 147.A N THR 128.A O no hydrogen 2.871 N/A ASP 148.A N ILE 165.A O no hydrogen 2.851 N/A PHE 150.A N ASN 131.A O no hydrogen 2.918 N/A ALA 151.A N ASP 148.A O no hydrogen 3.221 N/A ILE 152.A N VAL 169.A O no hydrogen 2.881 N/A ILE 153.A N.A ILE 134.A O no hydrogen 2.780 N/A ILE 153.A N.B ILE 134.A O no hydrogen 2.770 N/A GLY 154.A N VAL 171.A O no hydrogen 2.749 N/A MET 156.A N.A ASN 137.A O no hydrogen 2.861 N/A MET 156.A N.B ASN 137.A O no hydrogen 2.860 N/A THR 157.A N GLY 154.A O no hydrogen 3.338 N/A THR 157.A OG1 GLY 154.A O no hydrogen 3.391 N/A THR 157.A OG1 GLY 172.A O no hydrogen 2.811 N/A ALA 158.A N SER 175.A O no hydrogen 2.985 N/A VAL 159.A N THR 140.A O no hydrogen 2.813 N/A HIS 160.A N VAL 177.A O no hydrogen 2.888 N/A PHE 162.A N GLY 143.A O no hydrogen 3.132 N/A CYS 163.A N HIS 160.A O no hydrogen 3.285 N/A CYS 163.A SG HIS 160.A O no hydrogen 3.488 N/A CYS 163.A SG GLN 161.A O no hydrogen 3.963 N/A CYS 163.A SG VAL 177.A O no hydrogen 3.889 N/A ILE 164.A N ASP 180.A OD1 no hydrogen 2.842 N/A ILE 165.A N SER 146.A O no hydrogen 2.809 N/A GLY 166.A N VAL 181.A O no hydrogen 2.831 N/A HIS 168.A N ASP 149.A O no hydrogen 2.895 N/A VAL 169.A N GLY 166.A O no hydrogen 3.307 N/A MET 170.A N.A VAL 185.A O no hydrogen 3.043 N/A MET 170.A N.B VAL 185.A O no hydrogen 3.026 N/A VAL 171.A N ILE 152.A O no hydrogen 2.901 N/A GLY 172.A N ALA 187.A O no hydrogen 2.825 N/A CYS 174.A N GLY 155.A O no hydrogen 2.662 N/A SER 175.A N THR 157.A OG1 no hydrogen 3.074 N/A SER 175.A OG GLY 172.A O no hydrogen 2.666 N/A SER 175.A OG GLY 173.A O no hydrogen 3.235 N/A GLY 176.A N GLY 189.A O no hydrogen 3.320 N/A VAL 177.A N ALA 158.A O no hydrogen 2.963 N/A GLN 179.A NE2 ARG 258.A O.A no hydrogen 2.922 N/A GLN 179.A NE2 ARG 258.A O.B no hydrogen 2.913 N/A ASP 180.A N GLY 259.A O no hydrogen 2.820 N/A VAL 181.A N ILE 164.A O no hydrogen 2.834 N/A TYR 184.A N ALA 167.A O no hydrogen 2.767 N/A TYR 184.A OH GLU 245.A O no hydrogen 2.619 N/A ILE 186.A N GLY 196.A O no hydrogen 3.035 N/A ALA 187.A N MET 170.A O.A no hydrogen 2.953 N/A ALA 187.A N MET 170.A O.B no hydrogen 2.905 N/A GLN 188.A N.A THR 193.A O no hydrogen 3.151 N/A GLN 188.A N.B THR 193.A O no hydrogen 3.153 N/A GLY 189.A N SER 175.A OG no hydrogen 3.041 N/A HIS 191.A ND1 ASN 190.A OD1 no hydrogen 2.465 N/A ALA 192.A N GLY 176.A O no hydrogen 2.794 N/A THR 193.A N GLN 188.A O.A no hydrogen 3.248 N/A THR 193.A N GLN 188.A O.B no hydrogen 3.235 N/A PHE 195.A N ILE 186.A O no hydrogen 2.789 N/A GLY 196.A N TYR 219.A OH no hydrogen 2.971 N/A ASN 198.A N TYR 184.A O no hydrogen 2.806 N/A ASN 198.A ND2 HIS 168.A O no hydrogen 2.914 N/A ILE 199.A N VAL 197.A O no hydrogen 2.775 N/A GLY 201.A N ASN 198.A OD1 no hydrogen 3.268 N/A LEU 202.A N ASN 198.A O no hydrogen 3.132 N/A LYS 203.A N ILE 199.A O no hydrogen 2.926 N/A LYS 203.A NZ GLU 200.A OE1 no hydrogen 2.795 N/A ARG 204.A N GLU 200.A O no hydrogen 3.168 N/A ARG 204.A NE GLU 200.A OE2 no hydrogen 2.745 N/A ARG 205.A N LEU 202.A O no hydrogen 3.238 N/A ARG 205.A NH1 HIS 168.A ND1 no hydrogen 3.230 N/A GLY 206.A N LYS 203.A O no hydrogen 3.298 N/A PHE 207.A N LEU 202.A O no hydrogen 3.094 N/A SER 208.A OG GLU 210.A OE1 no hydrogen 3.537 N/A ALA 211.A N SER 208.A OG no hydrogen 3.160 N/A ILE 212.A N SER 208.A O no hydrogen 3.061 N/A THR 213.A N ARG 209.A O no hydrogen 3.008 N/A THR 213.A OG1 ARG 209.A O no hydrogen 3.026 N/A ALA 214.A N GLU 210.A O no hydrogen 2.881 N/A ILE 215.A N ALA 211.A O no hydrogen 2.809 N/A ARG 216.A N ILE 212.A O no hydrogen 2.906 N/A ASN 217.A N THR 213.A O no hydrogen 2.883 N/A ALA 218.A N ALA 214.A O no hydrogen 2.882 N/A TYR 219.A N ILE 215.A O no hydrogen 2.878 N/A LYS 220.A N ARG 216.A O no hydrogen 2.918 N/A LEU 221.A N ASN 217.A O no hydrogen 3.031 N/A ILE 222.A N ALA 218.A O no hydrogen 3.184 N/A TYR 223.A N TYR 219.A O no hydrogen 2.934 N/A TYR 223.A OH ILE 261.A O no hydrogen 2.820 N/A ARG 224.A N LYS 220.A O no hydrogen 2.502 N/A SER 225.A N LYS 220.A O no hydrogen 2.736 N/A SER 225.A OG LEU 221.A O no hydrogen 2.454 N/A LYS 227.A N SER 225.A OG no hydrogen 3.096 N/A LYS 227.A NZ GLU 235.A OE1 no hydrogen 3.090 N/A LYS 227.A NZ GLU 235.A OE2 no hydrogen 2.799 N/A GLU 231.A N THR 228.A O no hydrogen 2.886 N/A VAL 232.A N THR 228.A O no hydrogen 3.059 N/A LYS 233.A N LEU 229.A O no hydrogen 2.879 N/A ILE 236.A N VAL 232.A O no hydrogen 2.852 N/A ALA 237.A N LYS 233.A O no hydrogen 2.922 N/A GLU 238.A N PRO 234.A O no hydrogen 2.937 N/A LEU 239.A N GLU 235.A O no hydrogen 2.972 N/A ALA 240.A N ILE 236.A O no hydrogen 2.864 N/A GLU 241.A N GLU 238.A O no hydrogen 2.929 N/A THR 242.A N LEU 239.A O no hydrogen 3.086 N/A TYR 243.A N LEU 239.A O no hydrogen 3.140 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.720 N/A VAL 246.A N TYR 243.A O no hydrogen 3.006 N/A LYS 247.A N PRO 244.A O no hydrogen 2.845 N/A ALA 248.A N GLU 245.A O no hydrogen 3.426 N/A PHE 249.A N VAL 246.A O no hydrogen 3.060 N/A ASP 251.A N LYS 247.A O no hydrogen 2.883 N/A PHE 252.A N ALA 248.A O no hydrogen 3.017 N/A PHE 253.A N PHE 249.A O no hydrogen 2.885 N/A ALA 254.A N THR 250.A O no hydrogen 3.339 N/A ARG 255.A N PHE 252.A O no hydrogen 2.991 N/A ARG 255.A NH1 ASP 148.A OD1 no hydrogen 3.531 N/A ARG 255.A NH1 ASP 148.A OD2 no hydrogen 2.787 N/A ARG 255.A NH2 ASP 148.A OD1 no hydrogen 3.050 N/A SER 256.A N PHE 252.A O no hydrogen 3.037 N/A SER 256.A OG ASP 180.A OD2 no hydrogen 2.484 N/A THR 257.A N ASP 180.A OD2 no hydrogen 3.198 N/A ARG 258.A N.A ASP 180.A OD2 no hydrogen 2.984 N/A ARG 258.A N.B ASP 180.A OD2 no hydrogen 2.992 N/A ARG 258.A NE.A ALA 178.A O no hydrogen 3.438 N/A ARG 258.A NH1.B THR 257.A O no hydrogen 3.208 N/A ARG 258.A NH2.A ALA 178.A O no hydrogen 2.904 N/A ILE 261.A N ASP 180.A O no hydrogen 2.952 N/A ARG 262.A NH1 ILE 222.A O no hydrogen 3.417 N/A