Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qwe_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 5.A N GLY 1.A O no hydrogen 3.380 N/A LEU 6.A N GLU 2.A O no hydrogen 3.315 N/A ARG 7.A N GLU 3.A O no hydrogen 3.042 N/A LEU 8.A N LEU 4.A O no hydrogen 3.149 N/A ILE 9.A N ASP 5.A O no hydrogen 2.824 N/A ARG 10.A N LEU 6.A O no hydrogen 2.989 N/A THR 11.A OG1 ARG 7.A O no hydrogen 3.037 N/A GLY 14.A N THR 11.A O no hydrogen 3.306 N/A ALA 17.A N GLY 13.A O no hydrogen 2.924 N/A ALA 18.A N GLY 14.A O no hydrogen 2.776 N/A LEU 19.A N VAL 15.A O no hydrogen 2.781 N/A GLU 20.A N ASP 16.A O no hydrogen 2.767 N/A TYR 21.A N ALA 17.A O no hydrogen 2.863 N/A ALA 22.A N ALA 18.A O no hydrogen 3.108 N/A LYS 23.A N LEU 19.A O no hydrogen 3.133 N/A THR 24.A N GLU 20.A O no hydrogen 3.000 N/A THR 24.A OG1 GLU 20.A O no hydrogen 2.768 N/A TRP 25.A N TYR 21.A O no hydrogen 2.914 N/A TRP 25.A NE1 ASP 212.A OD1 no hydrogen 2.917 N/A SER 26.A N ALA 22.A O no hydrogen 3.116 N/A SER 26.A OG ALA 22.A O no hydrogen 3.517 N/A SER 26.A OG GLU 110.A OE1 no hydrogen 3.148 N/A ARG 27.A N LYS 23.A O no hydrogen 3.052 N/A TYR 28.A N THR 24.A O no hydrogen 2.986 N/A ALA 29.A N TRP 25.A O no hydrogen 2.949 N/A LYS 30.A N SER 26.A O no hydrogen 2.847 N/A GLU 31.A N ARG 27.A O no hydrogen 2.847 N/A LEU 32.A N TYR 28.A O no hydrogen 3.025 N/A LEU 33.A N ALA 29.A O no hydrogen 2.818 N/A ALA 34.A N LYS 30.A O no hydrogen 2.900 N/A TRP 35.A N GLU 31.A O no hydrogen 2.962 N/A THR 36.A N LEU 32.A O no hydrogen 3.295 N/A THR 36.A OG1 LEU 32.A O no hydrogen 3.225 N/A THR 36.A OG1 LEU 33.A O no hydrogen 2.846 N/A GLU 37.A N LEU 33.A O no hydrogen 3.189 N/A LYS 38.A N ALA 34.A O no hydrogen 3.023 N/A ARG 39.A N TRP 35.A O no hydrogen 2.794 N/A ALA 40.A N THR 36.A O no hydrogen 2.764 N/A SER 41.A N GLU 37.A O no hydrogen 3.001 N/A SER 41.A OG LYS 38.A O no hydrogen 3.138 N/A TYR 42.A N LYS 38.A O no hydrogen 3.154 N/A GLU 43.A N ARG 39.A O no hydrogen 3.121 N/A LEU 44.A N ALA 40.A O no hydrogen 2.955 N/A GLU 45.A N SER 41.A O no hydrogen 3.106 N/A PHE 46.A N TYR 42.A O no hydrogen 3.008 N/A ALA 47.A N GLU 43.A O no hydrogen 2.894 N/A LYS 48.A N LEU 44.A O no hydrogen 2.891 N/A SER 49.A N GLU 45.A O no hydrogen 2.859 N/A THR 50.A N PHE 46.A O no hydrogen 2.973 N/A THR 50.A OG1 PHE 46.A O no hydrogen 2.880 N/A THR 50.A OG1 ALA 47.A O no hydrogen 3.400 N/A MET 51.A N ALA 47.A O no hydrogen 2.892 N/A LYS 52.A N LYS 48.A O no hydrogen 3.251 N/A LYS 52.A N SER 49.A O no hydrogen 3.319 N/A ALA 54.A N THR 50.A O no hydrogen 3.079 N/A GLU 55.A N MET 51.A O no hydrogen 3.149 N/A ALA 56.A N LYS 52.A O no hydrogen 3.127 N/A GLY 57.A N ILE 53.A O no hydrogen 2.771 N/A LYS 58.A N ALA 54.A O no hydrogen 2.932 N/A LYS 58.A NZ GLU 78.A OE1 no hydrogen 2.887 N/A VAL 59.A N GLU 55.A O no hydrogen 2.987 N/A SER 60.A N ALA 56.A O no hydrogen 3.212 N/A ILE 61.A N GLY 57.A O no hydrogen 3.029 N/A GLN 62.A N LYS 58.A O no hydrogen 3.135 N/A GLN 63.A N SER 60.A O no hydrogen 3.073 N/A GLN 64.A N ILE 61.A O no hydrogen 3.178 N/A MET 67.A N GLN 70.A OE1 no hydrogen 3.084 N/A GLN 70.A NE2 ILE 61.A O no hydrogen 3.014 N/A GLN 70.A NE2 GLN 64.A O no hydrogen 2.798 N/A TYR 73.A N LEU 69.A O no hydrogen 2.887 N/A THR 74.A N GLN 70.A O no hydrogen 3.050 N/A THR 74.A OG1 GLN 70.A O no hydrogen 2.627 N/A LEU 75.A N TYR 71.A O no hydrogen 2.983 N/A PHE 76.A N ILE 72.A O no hydrogen 2.837 N/A LEU 77.A N TYR 73.A O no hydrogen 2.877 N/A GLU 78.A N THR 74.A O no hydrogen 2.892 N/A HIS 79.A N LEU 75.A O no hydrogen 2.819 N/A ASP 80.A N PHE 76.A O no hydrogen 3.205 N/A LEU 81.A N LEU 77.A O no hydrogen 3.175 N/A SER 82.A N GLU 78.A O no hydrogen 2.955 N/A SER 82.A OG GLU 78.A O no hydrogen 3.151 N/A LEU 83.A N HIS 79.A O no hydrogen 2.872 N/A GLY 84.A N ASP 80.A O no hydrogen 3.024 N/A THR 85.A N LEU 81.A O no hydrogen 3.025 N/A THR 85.A OG1 LEU 81.A O no hydrogen 3.044 N/A LEU 86.A N SER 82.A O no hydrogen 2.907 N/A ALA 87.A N LEU 83.A O no hydrogen 2.791 N/A MET 88.A N GLY 84.A O no hydrogen 3.076 N/A GLU 89.A N THR 85.A O no hydrogen 3.251 N/A THR 90.A N LEU 86.A O no hydrogen 2.852 N/A THR 90.A OG1 LEU 86.A O no hydrogen 2.921 N/A VAL 91.A N ALA 87.A O no hydrogen 2.903 N/A ALA 92.A N MET 88.A O no hydrogen 3.091 N/A GLN 93.A N GLU 89.A O no hydrogen 2.992 N/A GLN 93.A NE2 ASP 97.A OD2 no hydrogen 3.240 N/A GLN 94.A N THR 90.A O no hydrogen 2.845 N/A LYS 95.A N VAL 91.A O no hydrogen 2.960 N/A ARG 96.A N GLN 93.A O no hydrogen 3.226 N/A ASP 97.A N GLN 93.A O no hydrogen 2.704 N/A TYR 98.A N GLN 94.A O no hydrogen 2.809 N/A TYR 99.A N GLN 94.A O no hydrogen 3.120 N/A GLN 100.A N LYS 95.A O no hydrogen 3.143 N/A LEU 102.A N TYR 98.A O no hydrogen 3.264 N/A ALA 103.A N TYR 99.A O no hydrogen 2.817 N/A ALA 104.A N GLN 100.A O no hydrogen 3.012 N/A LYS 105.A N PRO 101.A O no hydrogen 3.154 N/A LYS 105.A NZ GLU 108.A OE1 no hydrogen 2.771 N/A LYS 105.A NZ GLN 210.A OE1 no hydrogen 3.090 N/A ARG 106.A N LEU 102.A O no hydrogen 2.952 N/A ARG 106.A NE SER 26.A O no hydrogen 2.896 N/A THR 107.A N ALA 103.A O no hydrogen 3.037 N/A THR 107.A OG1 ALA 103.A O no hydrogen 3.432 N/A THR 107.A OG1 ALA 104.A O no hydrogen 3.270 N/A GLU 108.A N ALA 104.A O no hydrogen 3.261 N/A ILE 109.A N LYS 105.A O no hydrogen 3.026 N/A GLU 110.A N ARG 106.A O no hydrogen 2.929 N/A LYS 111.A N THR 107.A O no hydrogen 3.009 N/A TRP 112.A N GLU 108.A O no hydrogen 3.098 N/A ARG 113.A N ILE 109.A O no hydrogen 2.859 N/A ARG 113.A NE GLU 110.A OE1 no hydrogen 2.768 N/A ARG 113.A NH2 GLU 110.A OE1 no hydrogen 3.298 N/A ARG 113.A NH2 GLU 110.A OE2 no hydrogen 3.155 N/A LYS 114.A N GLU 110.A O no hydrogen 3.110 N/A GLU 115.A N LYS 111.A O no hydrogen 3.222 N/A PHE 116.A N TRP 112.A O no hydrogen 2.967 N/A LYS 117.A N ARG 113.A O no hydrogen 3.065 N/A GLU 118.A N LYS 114.A O no hydrogen 3.353 N/A GLN 119.A N GLU 115.A O no hydrogen 3.038 N/A TRP 120.A N PHE 116.A O no hydrogen 2.965 N/A MET 121.A N LYS 117.A O no hydrogen 3.030 N/A LYS 122.A N GLU 118.A O no hydrogen 2.892 N/A GLU 123.A N GLN 119.A O no hydrogen 3.035 N/A GLN 124.A N TRP 120.A O no hydrogen 3.315 N/A GLN 124.A NE2 TRP 120.A O no hydrogen 2.664 N/A LYS 125.A N MET 121.A O no hydrogen 2.931 N/A ARG 126.A N LYS 122.A O no hydrogen 2.992 N/A MET 127.A N GLU 123.A O no hydrogen 3.264 N/A ASN 128.A N GLN 124.A O no hydrogen 2.996 N/A GLU 129.A N LYS 125.A O no hydrogen 2.968 N/A ALA 130.A N ARG 126.A O no hydrogen 3.087 N/A VAL 131.A N MET 127.A O no hydrogen 3.009 N/A GLN 132.A N ASN 128.A O no hydrogen 2.931 N/A ALA 133.A N GLU 129.A O no hydrogen 2.919 N/A LEU 134.A N ALA 130.A O no hydrogen 3.130 N/A ARG 135.A N VAL 131.A O no hydrogen 3.038 N/A ARG 136.A N GLN 132.A O no hydrogen 3.205 N/A ALA 137.A N ALA 133.A O no hydrogen 2.960 N/A GLN 138.A N LEU 134.A O no hydrogen 2.899 N/A LEU 139.A N ARG 135.A O no hydrogen 3.192 N/A GLN 140.A N ARG 136.A O no hydrogen 2.874 N/A TYR 141.A N ALA 137.A O no hydrogen 3.093 N/A VAL 142.A N GLN 138.A O no hydrogen 3.061 N/A GLN 143.A N LEU 139.A O no hydrogen 3.147 N/A ARG 144.A N GLN 140.A O no hydrogen 2.973 N/A SER 145.A N TYR 141.A O no hydrogen 2.822 N/A GLU 146.A N VAL 142.A O no hydrogen 2.870 N/A ASP 147.A N GLN 143.A O no hydrogen 2.906 N/A LEU 148.A N ARG 144.A O no hydrogen 3.110 N/A ARG 149.A N SER 145.A O no hydrogen 3.041 N/A ALA 150.A N GLU 146.A O no hydrogen 3.161 N/A ARG 151.A N LEU 148.A O no hydrogen 3.014 N/A SER 152.A N ARG 149.A O no hydrogen 3.044 N/A SER 152.A OG LEU 148.A O no hydrogen 2.788 N/A GLN 153.A NE2 ARG 149.A O no hydrogen 2.830 N/A GLU 159.A N SER 155.A O no hydrogen 3.067 N/A ARG 161.A N GLN 157.A O no hydrogen 2.940 N/A ARG 162.A N GLN 158.A O no hydrogen 2.988 N/A ARG 162.A NE GLU 159.A OE1 no hydrogen 3.404 N/A ARG 162.A NH1 GLU 159.A OE1 no hydrogen 2.700 N/A ARG 163.A N GLU 159.A O no hydrogen 2.992 N/A SER 164.A N ARG 160.A O no hydrogen 2.968 N/A SER 164.A OG ARG 161.A O no hydrogen 2.989 N/A ARG 165.A N ARG 161.A O no hydrogen 2.980 N/A GLU 166.A N ARG 162.A O no hydrogen 2.926 N/A GLU 167.A N ARG 163.A O no hydrogen 3.016 N/A ALA 168.A N SER 164.A O no hydrogen 3.142 N/A GLN 169.A N ARG 165.A O no hydrogen 2.950 N/A ALA 170.A N GLU 166.A O no hydrogen 3.063 N/A LYS 171.A N GLU 167.A O no hydrogen 3.072 N/A ALA 172.A N ALA 168.A O no hydrogen 2.895 N/A GLN 173.A N GLN 169.A O no hydrogen 2.990 N/A GLU 174.A N ALA 170.A O no hydrogen 3.007 N/A ALA 175.A N LYS 171.A O no hydrogen 3.150 N/A GLU 176.A N ALA 172.A O no hydrogen 3.051 N/A ALA 177.A N GLN 173.A O no hydrogen 3.003 N/A LEU 178.A N GLU 174.A O no hydrogen 3.055 N/A TYR 179.A N ALA 175.A O no hydrogen 3.119 N/A GLN 180.A N GLU 176.A O no hydrogen 2.994 N/A ALA 181.A N ALA 177.A O no hydrogen 3.072 N/A CYS 182.A N LEU 178.A O no hydrogen 2.947 N/A CYS 182.A SG LEU 178.A O no hydrogen 3.472 N/A VAL 183.A N TYR 179.A O no hydrogen 3.148 N/A VAL 183.A N GLN 180.A O no hydrogen 3.197 N/A ARG 184.A N GLN 180.A O no hydrogen 3.301 N/A ARG 184.A NH1 GLN 180.A O no hydrogen 3.479 N/A GLU 185.A N ALA 181.A O no hydrogen 2.965 N/A ALA 186.A N CYS 182.A O no hydrogen 3.020 N/A ASN 187.A N VAL 183.A O no hydrogen 2.849 N/A ALA 188.A N ARG 184.A O no hydrogen 2.815 N/A ARG 189.A N GLU 185.A O no hydrogen 3.003 N/A GLN 190.A N ALA 186.A O no hydrogen 3.049 N/A GLN 190.A NE2 GLU 194.A OE2 no hydrogen 3.152 N/A GLN 191.A N ASN 187.A O no hydrogen 3.064 N/A ASP 192.A N ALA 188.A O no hydrogen 3.018 N/A LEU 193.A N ARG 189.A O no hydrogen 3.051 N/A GLU 194.A N GLN 191.A O no hydrogen 3.241 N/A ILE 195.A N GLN 191.A O no hydrogen 3.162 N/A ILE 195.A N ASP 192.A O no hydrogen 3.241 N/A ALA 196.A N ASP 192.A O no hydrogen 3.087 N/A LYS 197.A N LEU 193.A O no hydrogen 2.866 N/A LYS 197.A NZ GLU 194.A OE1 no hydrogen 3.228 N/A LYS 197.A NZ GLU 194.A OE2 no hydrogen 2.783 N/A GLN 198.A N GLU 194.A O no hydrogen 3.376 N/A ARG 199.A N ILE 195.A O no hydrogen 3.062 N/A ARG 199.A NH2 GLN 119.A OE1 no hydrogen 2.613 N/A ILE 200.A N ALA 196.A O no hydrogen 2.881 N/A VAL 201.A N LYS 197.A O no hydrogen 3.146 N/A SER 202.A N GLN 198.A O no hydrogen 2.974 N/A SER 202.A OG GLN 198.A O no hydrogen 2.951 N/A SER 202.A OG ARG 199.A O no hydrogen 2.992 N/A HIS 203.A N ARG 199.A O no hydrogen 3.228 N/A VAL 204.A N ILE 200.A O no hydrogen 2.976 N/A ARG 205.A N VAL 201.A O no hydrogen 2.984 N/A ARG 205.A NE ASP 5.A OD1 no hydrogen 3.289 N/A ARG 205.A NE ASP 5.A OD2 no hydrogen 2.709 N/A ARG 205.A NH2 ASP 5.A OD1 no hydrogen 2.759 N/A LYS 206.A N SER 202.A O no hydrogen 3.079 N/A LEU 207.A N HIS 203.A O no hydrogen 2.897 N/A VAL 208.A N VAL 204.A O no hydrogen 3.036 N/A PHE 209.A N ARG 205.A O no hydrogen 3.124 N/A GLN 210.A N LYS 206.A O no hydrogen 3.133 N/A GLY 211.A N LEU 207.A O no hydrogen 2.960 N/A ASP 212.A N VAL 208.A O no hydrogen 2.867 N/A GLU 213.A N PHE 209.A O no hydrogen 3.032 N/A VAL 214.A N GLN 210.A O no hydrogen 3.051 N/A LEU 215.A N GLY 211.A O no hydrogen 2.846 N/A ARG 216.A N ASP 212.A O no hydrogen 3.048 N/A ARG 217.A N GLU 213.A O no hydrogen 3.262 N/A VAL 218.A N VAL 214.A O no hydrogen 2.909 N/A THR 219.A N LEU 215.A O no hydrogen 3.009 N/A THR 219.A OG1 LEU 215.A O no hydrogen 2.563 N/A LEU 220.A N ARG 216.A O no hydrogen 2.858 N/A SER 221.A N ARG 217.A O no hydrogen 3.034 N/A SER 221.A OG VAL 218.A O no hydrogen 3.017 N/A LEU 222.A N VAL 218.A O no hydrogen 2.927 N/A PHE 223.A N THR 219.A O no hydrogen 2.998 N/A GLY 224.A N LEU 220.A O no hydrogen 3.158 N/A LEU 225.A N SER 221.A O no hydrogen 2.959 N/A ARG 226.A N LEU 222.A O no hydrogen 2.904 N/A ARG 226.A NE GLN 94.A OE1 no hydrogen 2.940 N/A ARG 226.A NH1 GLU 43.A OE1 no hydrogen 2.720 N/A ARG 226.A NH1 GLU 43.A OE2 no hydrogen 2.893 N/A ARG 226.A NH1 GLN 229.A OE1 no hydrogen 2.872 N/A ARG 226.A NH2 GLN 94.A OE1 no hydrogen 2.665 N/A GLY 227.A N PHE 223.A O no hydrogen 2.788 N/A ALA 228.A N GLY 224.A O no hydrogen 3.001 N/A GLN 229.A N LEU 225.A O no hydrogen 3.169 N/A GLN 229.A NE2 GLU 43.A OE2 no hydrogen 2.956 N/A ALA 230.A N ARG 226.A O no hydrogen 2.987 N/A GLU 231.A N GLY 227.A O no hydrogen 3.288 N/A PHE 237.A N GLY 233.A O no hydrogen 3.470 N/A ALA 238.A N PRO 234.A O no hydrogen 3.151 N/A ALA 239.A N ARG 235.A O no hydrogen 3.044 N/A LEU 240.A N ALA 236.A O no hydrogen 2.986 N/A ALA 241.A N PHE 237.A O no hydrogen 2.906 N/A GLU 242.A N ALA 238.A O no hydrogen 3.066 N/A CYS 243.A N ALA 239.A O no hydrogen 3.074 N/A CYS 243.A SG ALA 239.A O no hydrogen 3.331 N/A CYS 244.A N ALA 241.A O no hydrogen 3.312 N/A CYS 244.A SG LEU 240.A O no hydrogen 3.616 N/A ALA 245.A N GLU 242.A O no hydrogen 3.418 N/A PHE 247.A N CYS 244.A O no hydrogen 3.192 N/A GLN 251.A N GLU 248.A O no hydrogen 3.205 N/A ARG 252.A NE GLU 255.A OE1 no hydrogen 2.937 N/A ARG 252.A NH1 MET 67.A O no hydrogen 3.192 N/A ARG 252.A NH2 GLU 255.A OE1 no hydrogen 3.032 N/A GLN 254.A N GLY 250.A O no hydrogen 3.147 N/A GLU 255.A N GLN 251.A O no hydrogen 3.001 N/A PHE 256.A N ARG 252.A O no hydrogen 2.829 N/A VAL 257.A N TYR 253.A O no hydrogen 2.863 N/A ARG 258.A N GLN 254.A O no hydrogen 3.157 N/A ALA 259.A N GLU 255.A O no hydrogen 2.926 N/A LEU 260.A N PHE 256.A O no hydrogen 3.120 N/A LEU 260.A N VAL 257.A O no hydrogen 3.041 N/A