Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aq8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 4.A OD1 no hydrogen 3.245 N/A LEU 3.A N GLN 30.A O no hydrogen 2.845 N/A ASP 4.A N GLY 1.A O no hydrogen 3.153 N/A GLY 5.A N GLY 31.A O no hydrogen 3.318 N/A LYS 6.A N LEU 3.A O no hydrogen 2.962 N/A LYS 6.A NZ ASP 246.A OD1 no hydrogen 2.789 N/A ARG 7.A N ASP 87.A OD2 no hydrogen 2.861 N/A ILE 8.A N GLN 33.A O no hydrogen 2.885 N/A LEU 9.A N GLY 88.A O no hydrogen 2.926 N/A VAL 10.A N VAL 35.A O no hydrogen 2.774 N/A SER 11.A N VAL 90.A O no hydrogen 2.982 N/A SER 11.A OG VAL 90.A O no hydrogen 2.607 N/A ILE 14.A N SER 18.A OG no hydrogen 2.914 N/A THR 15.A N SER 18.A OG no hydrogen 2.932 N/A THR 15.A OG1 SER 17.A OG no hydrogen 2.933 N/A SER 17.A N THR 15.A OG1 no hydrogen 2.989 N/A SER 17.A OG THR 15.A OG1 no hydrogen 2.933 N/A SER 18.A N THR 15.A O no hydrogen 3.145 N/A SER 18.A OG THR 15.A O no hydrogen 3.140 N/A PHE 21.A N SER 18.A O no hydrogen 2.942 N/A ILE 23.A N ILE 19.A O no hydrogen 2.895 N/A ALA 24.A N ALA 20.A O no hydrogen 2.832 N/A ARG 25.A N PHE 21.A O no hydrogen 2.801 N/A ARG 25.A NH1 GLU 29.A OE2 no hydrogen 3.022 N/A ARG 25.A NH2 HIS 22.A ND1 no hydrogen 3.189 N/A ARG 25.A NH2 THR 234.A OG1 no hydrogen 3.119 N/A VAL 26.A N HIS 22.A O no hydrogen 2.863 N/A ALA 27.A N ILE 23.A O no hydrogen 2.880 N/A GLN 28.A N ALA 24.A O no hydrogen 2.895 N/A GLN 28.A NE2 ALA 54.A O no hydrogen 2.944 N/A GLU 29.A N ARG 25.A O no hydrogen 2.884 N/A GLN 30.A N VAL 26.A O no hydrogen 2.906 N/A GLN 30.A N ALA 27.A O no hydrogen 2.926 N/A GLY 31.A N GLN 28.A O no hydrogen 2.933 N/A ALA 32.A N ALA 27.A O no hydrogen 3.044 N/A GLN 33.A N LYS 6.A O no hydrogen 2.837 N/A GLN 33.A NE2 GLN 33.A O no hydrogen 2.938 N/A VAL 35.A N ILE 8.A O no hydrogen 3.018 N/A LEU 36.A N PRO 57.A O no hydrogen 2.661 N/A THR 37.A N VAL 10.A O no hydrogen 2.952 N/A GLY 38.A N LEU 59.A O no hydrogen 2.837 N/A ARG 41.A N PHE 39.A O no hydrogen 2.749 N/A ILE 45.A N ARG 41.A O no hydrogen 2.946 N/A GLN 46.A N LEU 42.A O no hydrogen 2.749 N/A ARG 47.A N ARG 43.A O no hydrogen 3.135 N/A ILE 48.A N LEU 44.A O no hydrogen 2.896 N/A THR 49.A N ILE 45.A O no hydrogen 2.719 N/A THR 49.A OG1 ILE 45.A O no hydrogen 2.826 N/A THR 49.A OG1 GLN 46.A O no hydrogen 3.151 N/A ASP 50.A N GLN 46.A O no hydrogen 2.845 N/A ARG 51.A N ILE 48.A O no hydrogen 3.138 N/A ARG 51.A NH2 ARG 47.A O no hydrogen 2.921 N/A LEU 52.A N THR 49.A O no hydrogen 2.866 N/A ALA 54.A N GLN 28.A OE1 no hydrogen 2.842 N/A LEU 59.A N LEU 36.A O no hydrogen 2.700 N/A LEU 61.A N GLY 38.A O no hydrogen 2.770 N/A ASP 62.A N HIS 68.A ND1 no hydrogen 2.884 N/A GLN 64.A N ASP 62.A OD1 no hydrogen 2.943 N/A GLN 64.A NE2 HIS 119.A ND1 no hydrogen 3.019 N/A ASN 65.A N ASP 62.A O no hydrogen 2.758 N/A GLU 67.A N ASN 65.A OD1 no hydrogen 2.942 N/A HIS 68.A N ASN 65.A OD1 no hydrogen 3.166 N/A LEU 69.A N ASN 65.A O no hydrogen 3.195 N/A ALA 70.A N GLU 66.A O no hydrogen 2.848 N/A SER 71.A N GLU 67.A O no hydrogen 2.873 N/A SER 71.A OG GLU 67.A O no hydrogen 2.897 N/A SER 71.A OG GLU 67.A OE2 no hydrogen 3.293 N/A SER 71.A OG HIS 68.A O no hydrogen 3.121 N/A LEU 72.A N LEU 69.A O no hydrogen 3.074 N/A ARG 75.A N SER 71.A O no hydrogen 3.109 N/A ARG 75.A NE SER 71.A OG no hydrogen 2.940 N/A ARG 75.A NH1 GLU 60.A O no hydrogen 2.838 N/A ARG 75.A NH2 GLU 60.A O no hydrogen 2.938 N/A ARG 75.A NH2 HIS 68.A O no hydrogen 2.844 N/A VAL 76.A N LEU 72.A O no hydrogen 2.813 N/A THR 77.A N ALA 73.A O no hydrogen 2.793 N/A THR 77.A OG1 ALA 73.A O no hydrogen 2.903 N/A GLU 78.A N GLY 74.A O no hydrogen 2.752 N/A ALA 79.A N ARG 75.A O no hydrogen 2.945 N/A ILE 80.A N VAL 76.A O no hydrogen 2.858 N/A GLY 81.A N THR 77.A O no hydrogen 2.707 N/A ASN 84.A N GLY 81.A O no hydrogen 2.916 N/A LYS 85.A NZ PRO 134.A O no hydrogen 2.974 N/A LEU 86.A N ILE 135.A O no hydrogen 2.735 N/A ASP 87.A N ARG 7.A O no hydrogen 2.606 N/A GLY 88.A N ARG 7.A O no hydrogen 3.006 N/A VAL 89.A N SER 141.A O no hydrogen 2.922 N/A VAL 90.A N LEU 9.A O no hydrogen 2.725 N/A HIS 91.A N VAL 143.A O no hydrogen 2.662 N/A HIS 91.A NE2 SER 124.A OG no hydrogen 2.837 N/A SER 92.A N SER 11.A OG no hydrogen 3.078 N/A PHE 95.A N SER 121.A OG no hydrogen 2.879 N/A THR 99.A OG1 ASP 113.A OD2 no hydrogen 2.442 N/A GLY 100.A N PRO 97.A O no hydrogen 2.833 N/A MET 101.A N GLN 98.A O no hydrogen 3.022 N/A GLY 102.A N ALA 155.A O no hydrogen 2.685 N/A ILE 103.A N LEU 205.A O no hydrogen 2.910 N/A ASN 104.A ND2 THR 99.A O no hydrogen 2.560 N/A ASP 108.A N PRO 105.A O no hydrogen 2.835 N/A ALA 109.A N PHE 106.A O no hydrogen 3.410 N/A ASP 113.A N PRO 110.A O no hydrogen 2.941 N/A VAL 114.A N PRO 110.A O no hydrogen 3.198 N/A SER 115.A N TYR 111.A O no hydrogen 2.692 N/A LYS 116.A N ALA 112.A O no hydrogen 3.099 N/A GLY 117.A N ASP 113.A O no hydrogen 2.965 N/A ILE 118.A N VAL 114.A O no hydrogen 2.697 N/A HIS 119.A N SER 115.A O no hydrogen 2.766 N/A ILE 120.A N LYS 116.A O no hydrogen 3.004 N/A SER 121.A N GLY 117.A O no hydrogen 2.876 N/A SER 121.A OG PHE 95.A O no hydrogen 2.731 N/A SER 121.A OG GLY 117.A O no hydrogen 2.844 N/A ALA 122.A N ILE 118.A O no hydrogen 2.774 N/A TYR 123.A N ILE 118.A O no hydrogen 2.950 N/A SER 124.A N HIS 119.A O no hydrogen 2.938 N/A SER 124.A OG HIS 91.A NE2 no hydrogen 2.837 N/A SER 124.A OG ILE 120.A O no hydrogen 2.371 N/A TYR 125.A N ALA 122.A O no hydrogen 2.985 N/A TYR 125.A OH SER 184.A OG no hydrogen 2.727 N/A SER 127.A N TYR 123.A O no hydrogen 3.018 N/A SER 127.A OG TYR 123.A O no hydrogen 3.536 N/A MET 128.A N SER 124.A O no hydrogen 2.833 N/A ALA 129.A N TYR 125.A O no hydrogen 3.149 N/A LYS 130.A N ALA 126.A O no hydrogen 2.805 N/A ALA 131.A N SER 127.A O no hydrogen 2.971 N/A LEU 132.A N MET 128.A O no hydrogen 2.871 N/A LEU 132.A N ALA 129.A O no hydrogen 3.276 N/A LEU 133.A N ALA 129.A O no hydrogen 2.874 N/A ILE 135.A N LEU 132.A O no hydrogen 2.797 N/A MET 136.A N LEU 133.A O no hydrogen 2.991 N/A ASN 137.A N LEU 86.A O no hydrogen 2.758 N/A ASN 137.A ND2 ASP 87.A OD1 no hydrogen 2.956 N/A GLY 139.A N GLY 181.A O no hydrogen 2.707 N/A GLY 140.A N ASN 137.A O no hydrogen 2.962 N/A SER 141.A N ASP 87.A O no hydrogen 2.885 N/A SER 141.A OG LEU 243.A O no hydrogen 2.526 N/A ILE 142.A N ARG 183.A O no hydrogen 2.639 N/A VAL 143.A N VAL 89.A O no hydrogen 2.773 N/A GLY 144.A N ASN 185.A O no hydrogen 2.942 N/A ASP 146.A N VAL 187.A O no hydrogen 2.773 N/A SER 150.A N ASP 148.A OD1 no hydrogen 3.105 N/A SER 150.A OG ASP 148.A OD1 no hydrogen 2.985 N/A SER 150.A OG ASP 148.A OD2 no hydrogen 3.476 N/A TYR 156.A N PRO 154.A O no hydrogen 2.725 N/A ASN 157.A ND2 GLY 102.A O no hydrogen 3.174 N/A TRP 158.A N GLY 100.A O no hydrogen 2.895 N/A TRP 158.A NE1 PHE 106.A O no hydrogen 2.790 N/A THR 160.A N TYR 156.A O no hydrogen 3.252 N/A VAL 161.A N ASN 157.A O no hydrogen 3.374 N/A ALA 162.A N TRP 158.A O no hydrogen 2.793 N/A LYS 163.A N MET 159.A O no hydrogen 2.855 N/A LYS 163.A NZ MET 145.A O no hydrogen 2.723 N/A SER 164.A N THR 160.A O no hydrogen 2.879 N/A SER 164.A OG THR 160.A O no hydrogen 3.317 N/A ALA 165.A N VAL 161.A O no hydrogen 2.900 N/A LEU 166.A N ALA 162.A O no hydrogen 2.802 N/A GLU 167.A N LYS 163.A O no hydrogen 2.854 N/A SER 168.A N SER 164.A O no hydrogen 3.190 N/A VAL 169.A N ALA 165.A O no hydrogen 2.759 N/A ASN 170.A N LEU 166.A O no hydrogen 2.795 N/A ASN 170.A ND2 ASP 254.A O no hydrogen 3.106 N/A ARG 171.A N GLU 167.A O no hydrogen 3.332 N/A PHE 172.A N SER 168.A O no hydrogen 3.359 N/A VAL 173.A N VAL 169.A O no hydrogen 2.758 N/A ALA 174.A N ASN 170.A O no hydrogen 2.888 N/A ARG 175.A N PHE 172.A O no hydrogen 3.002 N/A GLU 176.A N PHE 172.A O no hydrogen 3.230 N/A ALA 177.A N VAL 173.A O no hydrogen 2.656 N/A GLY 178.A N ALA 174.A O no hydrogen 2.848 N/A LYS 179.A N GLU 176.A O no hydrogen 3.158 N/A LYS 179.A NZ GLU 176.A OE1 no hydrogen 2.635 N/A TYR 180.A N ALA 177.A O no hydrogen 2.795 N/A GLY 181.A N GLY 178.A O no hydrogen 3.028 N/A VAL 182.A N ALA 177.A O no hydrogen 2.974 N/A ARG 183.A N GLY 140.A O no hydrogen 2.990 N/A ARG 183.A NH1 LEU 243.A O no hydrogen 2.965 N/A ARG 183.A NH2 LEU 243.A O no hydrogen 3.333 N/A ARG 183.A NH2 SER 245.A O no hydrogen 2.777 N/A SER 184.A N THR 252.A OG1 no hydrogen 2.904 N/A SER 184.A OG TYR 125.A OH no hydrogen 2.727 N/A SER 184.A OG ASN 170.A OD1 no hydrogen 2.586 N/A ASN 185.A N ILE 142.A O no hydrogen 2.814 N/A ASN 185.A ND2 THR 251.A O no hydrogen 2.717 N/A LEU 186.A N ASP 254.A O no hydrogen 2.820 N/A VAL 187.A N GLY 144.A O no hydrogen 2.873 N/A ALA 188.A N ILE 256.A O no hydrogen 2.754 N/A ALA 189.A N ASP 146.A O no hydrogen 3.059 N/A GLY 190.A N ALA 258.A O no hydrogen 3.016 N/A ARG 193.A N MET 230.A O no hydrogen 2.796 N/A ARG 193.A NE GLU 217.A OE1 no hydrogen 2.714 N/A ARG 193.A NE GLU 217.A OE2 no hydrogen 3.364 N/A ARG 193.A NH2 GLU 217.A OE2 no hydrogen 2.946 N/A THR 194.A N ILE 192.A O no hydrogen 2.766 N/A MET 197.A N THR 194.A OG1 no hydrogen 3.206 N/A SER 198.A N THR 194.A O no hydrogen 2.894 N/A SER 198.A OG THR 194.A O no hydrogen 3.273 N/A ALA 199.A N LEU 195.A O no hydrogen 2.848 N/A ILE 200.A N ALA 196.A O no hydrogen 2.882 N/A VAL 201.A N MET 197.A O no hydrogen 2.885 N/A GLY 202.A N SER 198.A O no hydrogen 2.796 N/A GLY 203.A N ILE 200.A O no hydrogen 2.901 N/A ALA 204.A N ALA 199.A O no hydrogen 2.807 N/A GLY 206.A N GLY 203.A O no hydrogen 2.823 N/A GLY 210.A N GLY 206.A O no hydrogen 3.031 N/A ALA 211.A N GLU 207.A O no hydrogen 2.785 N/A GLN 212.A N GLU 208.A O no hydrogen 2.854 N/A ILE 213.A N ALA 209.A O no hydrogen 2.993 N/A GLN 214.A N GLY 210.A O no hydrogen 2.986 N/A LEU 215.A N ALA 211.A O no hydrogen 3.031 N/A LEU 216.A N GLN 212.A O no hydrogen 2.765 N/A GLU 217.A N ILE 213.A O no hydrogen 2.826 N/A GLU 218.A N GLN 214.A O no hydrogen 2.980 N/A GLY 219.A N LEU 215.A O no hydrogen 2.853 N/A TRP 220.A N LEU 216.A O no hydrogen 2.892 N/A TRP 220.A NE1 ASP 259.A O no hydrogen 2.807 N/A ASP 221.A N GLU 217.A O no hydrogen 3.318 N/A GLN 222.A N GLU 218.A O no hydrogen 3.097 N/A ARG 223.A N GLY 219.A O no hydrogen 2.849 N/A ARG 223.A NE ALA 262.A O no hydrogen 3.159 N/A ALA 224.A N TRP 220.A O no hydrogen 2.821 N/A GLY 227.A N ALA 224.A O no hydrogen 2.863 N/A TRP 228.A N ASP 221.A OD2 no hydrogen 2.787 N/A TRP 228.A NE1 PRO 191.A O no hydrogen 2.611 N/A LYS 231.A N ASN 229.A OD1 no hydrogen 2.881 N/A ASP 232.A N ASN 229.A O no hydrogen 2.967 N/A THR 234.A N ASP 232.A OD1 no hydrogen 3.044 N/A THR 234.A OG1 ASP 232.A OD1 no hydrogen 3.176 N/A ALA 237.A N ALA 233.A O no hydrogen 2.878 N/A LYS 238.A N THR 234.A O no hydrogen 2.790 N/A THR 239.A N PRO 235.A O no hydrogen 3.160 N/A THR 239.A OG1 PRO 235.A O no hydrogen 2.828 N/A VAL 240.A N VAL 236.A O no hydrogen 2.984 N/A CYS 241.A N ALA 237.A O no hydrogen 2.942 N/A CYS 241.A SG ALA 237.A O no hydrogen 3.423 N/A ALA 242.A N LYS 238.A O no hydrogen 2.709 N/A LEU 243.A N THR 239.A O no hydrogen 3.120 N/A LEU 244.A N VAL 240.A O no hydrogen 2.901 N/A SER 245.A N ALA 242.A O no hydrogen 3.232 N/A SER 245.A OG ALA 242.A O no hydrogen 2.596 N/A TRP 247.A N SER 245.A OG no hydrogen 2.964 N/A THR 252.A OG1 SER 184.A O no hydrogen 3.384 N/A GLY 253.A N SER 184.A O no hydrogen 2.666 N/A ASP 254.A N ASN 185.A OD1 no hydrogen 2.876 N/A ILE 255.A N ASP 254.A OD1 no hydrogen 2.768 N/A ILE 256.A N LEU 186.A O no hydrogen 2.748 N/A ALA 258.A N ALA 188.A O no hydrogen 2.786 N/A GLY 261.A N ASP 259.A OD1 no hydrogen 2.843 N/A ALA 262.A N ASP 259.A O no hydrogen 3.201 N/A HIS 263.A N ASP 259.A OD2 no hydrogen 2.913 N/A HIS 263.A ND1 ASP 259.A OD2 no hydrogen 3.038 N/A THR 264.A N GLY 261.A O no hydrogen 2.955 N/A THR 264.A OG1 GLY 261.A O no hydrogen 2.608 N/A GLN 265.A N ALA 262.A O no hydrogen 3.205 N/A GLN 265.A NE2 THR 264.A OG1 no hydrogen 3.099 N/A