Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3a6g_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLU 12.A OE2 no hydrogen 3.507 N/A SER 2.A OG GLU 7.A OE1 no hydrogen 2.623 N/A PHE 4.A N SER 2.A OG no hydrogen 2.812 N/A VAL 5.A N VAL 62.A O no hydrogen 2.863 N/A GLU 7.A N PHE 4.A O no hydrogen 2.831 N/A LEU 8.A N VAL 5.A O no hydrogen 3.004 N/A THR 9.A N GLU 12.A OE1 no hydrogen 2.806 N/A LYS 11.A NZ GLU 14.A OE1 no hydrogen 3.235 N/A GLU 12.A N THR 9.A OG1 no hydrogen 3.166 N/A TYR 13.A N THR 9.A O no hydrogen 3.166 N/A TYR 13.A OH HIS 107.A ND1 no hydrogen 2.855 N/A GLU 14.A N TRP 10.A O no hydrogen 2.890 N/A ALA 15.A N LYS 11.A O no hydrogen 3.042 N/A ARG 16.A N GLU 12.A O no hydrogen 3.108 N/A VAL 17.A N TYR 13.A O no hydrogen 3.018 N/A ALA 18.A N GLU 14.A O no hydrogen 2.900 N/A ALA 19.A N ARG 16.A O no hydrogen 3.231 N/A GLY 20.A N VAL 17.A O no hydrogen 2.919 N/A CYS 22.A SG VAL 23.A O no hydrogen 4.000 N/A LEU 24.A N ARG 111.A O no hydrogen 3.019 N/A MET 25.A N LEU 61.A O no hydrogen 2.801 N/A LEU 26.A N VAL 113.A O no hydrogen 2.793 N/A VAL 28.A N MET 115.A O no hydrogen 2.940 N/A GLY 29.A N LEU 66.A O no hydrogen 2.936 N/A GLU 32.A N MET 40.A O no hydrogen 2.977 N/A GLN 33.A NE2 GLY 77.A O no hydrogen 2.922 N/A GLN 33.A NE2 GLY 223.A O no hydrogen 2.917 N/A HIS 34.A ND1 GLU 32.A O no hydrogen 2.714 N/A GLY 35.A N GLN 33.A OE1 no hydrogen 2.877 N/A HIS 37.A NE2 THR 182.A OG1 no hydrogen 2.837 N/A CYS 39.A SG ASN 41.A OD1 no hydrogen 3.156 N/A VAL 44.A N ASN 41.A O no hydrogen 2.859 N/A LEU 45.A N ASN 41.A O no hydrogen 2.972 N/A LEU 46.A N VAL 42.A O no hydrogen 2.996 N/A THR 48.A N VAL 44.A O no hydrogen 3.111 N/A THR 48.A OG1 VAL 44.A O no hydrogen 2.635 N/A ALA 49.A N LEU 45.A O no hydrogen 2.869 N/A VAL 50.A N LEU 46.A O no hydrogen 2.978 N/A CYS 51.A N PRO 47.A O no hydrogen 2.792 N/A CYS 51.A SG PRO 47.A O no hydrogen 3.308 N/A LYS 52.A N THR 48.A O no hydrogen 2.863 N/A LYS 52.A NZ GLU 56.A OE2 no hydrogen 2.840 N/A ARG 53.A N ALA 49.A O no hydrogen 3.219 N/A ARG 53.A NH1 ALA 49.A O no hydrogen 3.178 N/A VAL 54.A N VAL 50.A O no hydrogen 2.904 N/A ALA 55.A N CYS 51.A O no hydrogen 2.776 N/A GLU 56.A N LYS 52.A O no hydrogen 2.962 N/A ARG 57.A N ARG 53.A O no hydrogen 2.946 N/A ARG 57.A NH1 GLU 241.A OE1 no hydrogen 3.358 N/A ARG 57.A NH1 GLU 241.A OE2 no hydrogen 3.434 N/A ARG 57.A NH2 GLU 241.A OE2 no hydrogen 3.200 N/A ARG 57.A NH2 GLN 245.A OE1 no hydrogen 3.184 N/A ILE 58.A N VAL 54.A O no hydrogen 2.874 N/A ALA 60.A N ALA 55.A O no hydrogen 2.828 N/A LEU 61.A N VAL 23.A O no hydrogen 3.006 N/A VAL 62.A N VAL 3.A O no hydrogen 2.650 N/A MET 63.A N MET 25.A O no hydrogen 2.747 N/A LEU 66.A N PRO 27.A O no hydrogen 2.972 N/A GLN 67.A NE2 GLY 65.A O no hydrogen 3.047 N/A TYR 70.A N ASN 121.A OD1 no hydrogen 2.723 N/A LYS 71.A NZ ASP 89.A OD1 no hydrogen 2.948 N/A SER 72.A N ASN 80.A OD1 no hydrogen 3.085 N/A SER 72.A OG GLU 32.A OE2 no hydrogen 2.685 N/A GLN 73.A N GLU 120.A OE2 no hydrogen 2.852 N/A GLN 73.A NE2 LYS 71.A O no hydrogen 3.130 N/A GLN 74.A NE2 ASP 215.A O no hydrogen 2.901 N/A GLN 74.A NE2 THR 219.A OG1 no hydrogen 2.828 N/A LYS 75.A NZ PRO 207.A O no hydrogen 2.694 N/A LYS 75.A NZ TYR 209.A O no hydrogen 3.018 N/A SER 76.A N GLN 73.A O no hydrogen 3.099 N/A SER 76.A OG GLU 120.A OE2 no hydrogen 2.731 N/A GLY 77.A N GLN 73.A O no hydrogen 2.652 N/A GLY 78.A N GLN 74.A O no hydrogen 3.132 N/A GLY 79.A N SER 72.A OG no hydrogen 3.271 N/A THR 85.A OG1 PHE 82.A O no hydrogen 2.982 N/A THR 86.A N LEU 31.A O no hydrogen 2.987 N/A THR 86.A OG1 GLY 84.A O no hydrogen 2.854 N/A SER 87.A OG ASN 80.A OD1 no hydrogen 2.608 N/A LEU 88.A N GLY 69.A O no hydrogen 2.885 N/A THR 92.A N ASP 89.A O no hydrogen 3.169 N/A LEU 93.A N ASP 89.A O no hydrogen 3.346 N/A THR 94.A N GLY 90.A O no hydrogen 2.955 N/A THR 94.A OG1 GLY 90.A O no hydrogen 3.101 N/A THR 94.A OG1 PHE 124.A O no hydrogen 3.060 N/A GLY 95.A N ALA 91.A O no hydrogen 2.920 N/A THR 96.A N THR 92.A O no hydrogen 3.084 N/A THR 96.A OG1 THR 92.A O no hydrogen 2.885 N/A VAL 97.A N LEU 93.A O no hydrogen 3.101 N/A GLN 98.A N THR 94.A O no hydrogen 2.877 N/A GLN 98.A NE2 GLU 135.A OE2 no hydrogen 2.502 N/A ASP 99.A N GLY 95.A O no hydrogen 2.844 N/A ILE 100.A N THR 96.A O no hydrogen 3.042 N/A ILE 101.A N VAL 97.A O no hydrogen 3.131 N/A ARG 102.A N GLN 98.A O no hydrogen 3.114 N/A ARG 102.A NE GLU 135.A OE1 no hydrogen 2.921 N/A ARG 102.A NH1 GLU 135.A OE1 no hydrogen 3.377 N/A ARG 102.A NH1 GLU 135.A OE2 no hydrogen 2.698 N/A ARG 102.A NH2 ASP 99.A OD1 no hydrogen 2.844 N/A GLU 103.A N ASP 99.A O no hydrogen 3.087 N/A LEU 104.A N ILE 100.A O no hydrogen 2.919 N/A ALA 105.A N ILE 101.A O no hydrogen 2.999 N/A ARG 106.A N ARG 102.A O no hydrogen 3.147 N/A ARG 106.A NE GLU 103.A OE2 no hydrogen 2.889 N/A ARG 106.A NH2 GLU 103.A OE1 no hydrogen 3.160 N/A HIS 107.A N GLU 103.A O no hydrogen 3.003 N/A HIS 107.A ND1 TYR 13.A OH no hydrogen 2.855 N/A GLY 108.A N LEU 104.A O no hydrogen 3.253 N/A GLY 108.A N ALA 105.A O no hydrogen 3.083 N/A ALA 109.A N LEU 104.A O no hydrogen 3.010 N/A ARG 110.A NE ASP 143.A OD1 no hydrogen 2.889 N/A ARG 110.A NH1 ALA 105.A O no hydrogen 2.950 N/A ARG 110.A NH1 ALA 109.A O no hydrogen 2.842 N/A ARG 111.A NH1 ASP 21.A O no hydrogen 3.053 N/A ARG 111.A NH1 PRO 256.A O no hydrogen 3.139 N/A ARG 111.A NH2 PRO 256.A O no hydrogen 2.785 N/A LEU 112.A N LYS 145.A O no hydrogen 3.062 N/A VAL 113.A N LEU 24.A O no hydrogen 2.778 N/A LEU 114.A N VAL 147.A O no hydrogen 2.831 N/A MET 115.A N LEU 26.A O no hydrogen 2.975 N/A ASN 116.A N LEU 149.A O no hydrogen 2.778 N/A ASN 116.A ND2 HIS 118.A O no hydrogen 2.731 N/A GLY 117.A N VAL 28.A O no hydrogen 2.866 N/A HIS 118.A N ASN 116.A OD1 no hydrogen 3.203 N/A HIS 118.A ND1 ASP 43.A OD2 no hydrogen 2.959 N/A HIS 118.A NE2 TYR 70.A O no hydrogen 2.920 N/A GLU 120.A N GLU 120.A OE1 no hydrogen 2.561 N/A ASN 121.A N HIS 118.A O no hydrogen 2.887 N/A ASN 121.A ND2 GLY 29.A O no hydrogen 2.960 N/A ASN 121.A ND2 ASN 116.A OD1 no hydrogen 3.001 N/A SER 122.A N TYR 119.A O no hydrogen 3.274 N/A SER 122.A OG TYR 119.A O no hydrogen 2.940 N/A PHE 124.A N ASN 121.A O no hydrogen 2.986 N/A ILE 125.A N ASN 121.A O no hydrogen 3.046 N/A ILE 125.A N SER 122.A O no hydrogen 3.099 N/A VAL 126.A N SER 122.A O no hydrogen 3.002 N/A GLU 127.A N MET 123.A O no hydrogen 2.973 N/A GLY 128.A N PHE 124.A O no hydrogen 3.054 N/A ILE 129.A N ILE 125.A O no hydrogen 2.897 N/A ASP 130.A N VAL 126.A O no hydrogen 2.919 N/A LEU 131.A N GLU 127.A O no hydrogen 2.924 N/A ALA 132.A N GLY 128.A O no hydrogen 3.078 N/A LEU 133.A N ILE 129.A O no hydrogen 2.912 N/A ARG 134.A N ASP 130.A O no hydrogen 2.963 N/A GLU 135.A N LEU 131.A O no hydrogen 3.160 N/A LEU 136.A N ALA 132.A O no hydrogen 2.861 N/A ARG 137.A N LEU 133.A O no hydrogen 3.025 N/A TYR 138.A N ARG 134.A O no hydrogen 3.138 N/A ALA 139.A N GLU 135.A O no hydrogen 2.958 N/A ALA 139.A N LEU 136.A O no hydrogen 2.979 N/A GLY 140.A N ARG 137.A O no hydrogen 2.889 N/A ILE 141.A N LEU 136.A O no hydrogen 2.661 N/A LYS 145.A N ARG 110.A O no hydrogen 2.876 N/A LYS 145.A NZ GLU 254.A O no hydrogen 2.904 N/A LYS 145.A NZ GLU 254.A OE1 no hydrogen 2.759 N/A VAL 147.A N LEU 112.A O no hydrogen 2.860 N/A LEU 149.A N LEU 114.A O no hydrogen 2.967 N/A ASP 153.A N SER 150.A O no hydrogen 2.840 N/A PHE 154.A N TYR 151.A O no hydrogen 3.411 N/A VAL 160.A N ASP 157.A O no hydrogen 2.752 N/A ILE 161.A N ASP 157.A O no hydrogen 3.072 N/A GLN 162.A N PRO 158.A O no hydrogen 2.885 N/A GLN 163.A N ALA 159.A O no hydrogen 3.439 N/A LEU 164.A N VAL 160.A O no hydrogen 2.924 N/A TYR 165.A N ILE 161.A O no hydrogen 2.688 N/A TYR 165.A OH GLU 175.A OE2 no hydrogen 2.679 N/A GLY 168.A N TYR 165.A O no hydrogen 2.875 N/A GLU 175.A N TRP 172.A O no hydrogen 3.138 N/A HIS 176.A NE2 GLN 33.A O no hydrogen 2.978 N/A GLY 177.A N GLU 181.A OE2 no hydrogen 2.823 N/A PHE 180.A N GLU 175.A OE1 no hydrogen 2.826 N/A THR 182.A N GLY 178.A O no hydrogen 3.150 N/A THR 182.A OG1 HIS 37.A NE2 no hydrogen 2.837 N/A THR 182.A OG1 GLY 178.A O no hydrogen 2.774 N/A SER 183.A N VAL 179.A O no hydrogen 2.904 N/A SER 183.A OG VAL 179.A O no hydrogen 2.659 N/A SER 183.A OG SER 232.A O no hydrogen 3.529 N/A LEU 184.A N PHE 180.A O no hydrogen 3.183 N/A MET 185.A N GLU 181.A O no hydrogen 2.954 N/A LEU 186.A N THR 182.A O no hydrogen 2.860 N/A ALA 187.A N SER 183.A O no hydrogen 3.124 N/A LEU 188.A N LEU 184.A O no hydrogen 2.894 N/A LEU 188.A N MET 185.A O no hydrogen 3.230 N/A TYR 189.A N MET 185.A O no hydrogen 2.643 N/A LEU 192.A N TYR 189.A O no hydrogen 2.835 N/A VAL 193.A N PRO 190.A O no hydrogen 3.188 N/A ASP 194.A N HIS 37.A O no hydrogen 2.884 N/A ASP 196.A N ASP 194.A OD2 no hydrogen 3.244 N/A ARG 197.A N ASP 194.A O no hydrogen 2.916 N/A VAL 198.A N LEU 195.A O no hydrogen 3.036 N/A HIS 201.A N VAL 199.A O no hydrogen 2.932 N/A HIS 201.A ND1 PRO 202.A O no hydrogen 2.785 N/A HIS 201.A NE2 THR 224.A OG1 no hydrogen 2.776 N/A ALA 204.A N LEU 225.A O no hydrogen 2.850 N/A ALA 217.A N ASP 215.A OD1 no hydrogen 3.042 N/A ARG 218.A N ASP 215.A O no hydrogen 2.952 N/A ARG 218.A NE ASP 215.A OD2 no hydrogen 3.099 N/A THR 219.A N PRO 216.A O no hydrogen 3.230 N/A THR 219.A OG1 GLY 78.A O no hydrogen 2.704 N/A GLY 223.A N PRO 220.A O no hydrogen 2.801 N/A THR 224.A OG1 HIS 201.A NE2 no hydrogen 2.776 N/A LEU 225.A N HIS 176.A O no hydrogen 3.139 N/A SER 226.A OG ILE 174.A O no hydrogen 2.913 N/A SER 227.A OG ASP 200.A OD1 no hydrogen 2.623 N/A LYS 229.A N SER 227.A OG no hydrogen 3.135 N/A ALA 231.A N ALA 228.A O no hydrogen 2.971 N/A SER 232.A N SER 183.A OG no hydrogen 3.247 N/A ARG 233.A NE LEU 186.A O no hydrogen 3.354 N/A LYS 235.A N SER 232.A OG no hydrogen 3.209 N/A LYS 235.A NZ LEU 164.A O no hydrogen 3.003 N/A LYS 235.A NZ THR 230.A O no hydrogen 2.862 N/A GLY 236.A N SER 232.A O no hydrogen 3.108 N/A GLU 237.A N ARG 233.A O no hydrogen 2.816 N/A LEU 238.A N GLU 234.A O no hydrogen 3.116 N/A ILE 239.A N LYS 235.A O no hydrogen 2.911 N/A LEU 240.A N GLY 236.A O no hydrogen 2.846 N/A GLU 241.A N GLU 237.A O no hydrogen 3.163 N/A VAL 242.A N LEU 238.A O no hydrogen 3.054 N/A CYS 243.A N ILE 239.A O no hydrogen 2.953 N/A CYS 243.A SG TYR 151.A O no hydrogen 3.461 N/A CYS 243.A SG ILE 239.A O no hydrogen 3.288 N/A VAL 244.A N LEU 240.A O no hydrogen 2.906 N/A GLN 245.A N GLU 241.A O no hydrogen 2.984 N/A GLY 246.A N VAL 242.A O no hydrogen 2.933 N/A ILE 247.A N CYS 243.A O no hydrogen 2.866 N/A ALA 248.A N VAL 244.A O no hydrogen 2.912 N/A ASP 249.A N GLN 245.A O no hydrogen 3.034 N/A ALA 250.A N GLY 246.A O no hydrogen 3.064 N/A ILE 251.A N ILE 247.A O no hydrogen 2.946 N/A ARG 252.A N ALA 248.A O no hydrogen 3.019 N/A GLU 253.A N ASP 249.A O no hydrogen 3.071 N/A GLU 254.A N ALA 250.A O no hydrogen 2.967 N/A PHE 255.A N ILE 251.A O no hydrogen 2.731 N/A