Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r9a_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N SER 66.A OG no hydrogen 2.861 N/A GLN 1.A NE2 GLU 35.A OE2 no hydrogen 3.476 N/A GLU 4.A N GLU 35.A OE1 no hydrogen 3.111 N/A ASN 6.A ND2 LEU 32.A O no hydrogen 2.780 N/A LEU 8.A N ASN 6.A OD1 no hydrogen 2.796 N/A ARG 9.A N ASN 6.A O no hydrogen 3.188 N/A ARG 9.A NH1 ARG 9.A O no hydrogen 3.398 N/A HIS 11.A N LEU 8.A O no hydrogen 3.246 N/A GLU 17.A N GLN 13.A O no hydrogen 2.985 N/A GLY 18.A N PRO 14.A O no hydrogen 2.774 N/A LEU 19.A N PHE 15.A O no hydrogen 2.957 N/A ARG 20.A N GLU 16.A O no hydrogen 3.295 N/A ARG 20.A NE GLU 17.A OE1 no hydrogen 2.865 N/A ARG 20.A NH2 GLU 17.A OE1 no hydrogen 2.671 N/A ARG 21.A N GLU 17.A O no hydrogen 2.831 N/A ARG 21.A NE GLU 17.A OE2 no hydrogen 2.806 N/A ARG 21.A NH1 ASP 26.A OD2 no hydrogen 3.003 N/A LEU 22.A N GLY 18.A O no hydrogen 2.913 N/A GLN 23.A N LEU 19.A O no hydrogen 3.142 N/A GLU 24.A N ARG 20.A O no hydrogen 2.827 N/A GLY 25.A N LEU 22.A O no hydrogen 3.383 N/A ASP 26.A N ARG 21.A O no hydrogen 2.744 N/A ASN 29.A N ASP 26.A OD1 no hydrogen 3.235 N/A ASN 29.A ND2 ASP 26.A OD1 no hydrogen 3.302 N/A ASN 29.A ND2 ASP 26.A OD2 no hydrogen 2.776 N/A ALA 30.A N ASP 26.A O no hydrogen 3.143 N/A VAL 31.A N LEU 27.A O no hydrogen 3.064 N/A LEU 32.A N PRO 28.A O no hydrogen 3.239 N/A LEU 33.A N ASN 29.A O no hydrogen 2.820 N/A PHE 34.A N ALA 30.A O no hydrogen 2.927 N/A GLU 35.A N VAL 31.A O no hydrogen 3.042 N/A ALA 36.A N LEU 32.A O no hydrogen 2.957 N/A ALA 37.A N LEU 33.A O no hydrogen 2.924 N/A VAL 38.A N PHE 34.A O no hydrogen 3.108 N/A GLN 39.A N GLU 35.A O no hydrogen 2.958 N/A GLN 39.A NE2 GLU 35.A O no hydrogen 2.968 N/A GLN 40.A N ALA 36.A O no hydrogen 2.957 N/A ASP 41.A N ALA 37.A O no hydrogen 2.955 N/A HIS 44.A N ASP 41.A O no hydrogen 2.942 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.802 N/A TRP 48.A N HIS 44.A O no hydrogen 3.244 N/A TRP 48.A NE1 PRO 42.A O no hydrogen 2.559 N/A GLN 49.A N MET 45.A O no hydrogen 3.114 N/A TYR 50.A N GLU 46.A O no hydrogen 3.031 N/A LEU 51.A N ALA 47.A O no hydrogen 2.838 N/A GLY 52.A N TRP 48.A O no hydrogen 3.002 N/A THR 53.A N GLN 49.A O no hydrogen 2.965 N/A THR 53.A OG1 GLN 49.A O no hydrogen 3.523 N/A THR 53.A OG1 TYR 50.A O no hydrogen 3.525 N/A THR 54.A N TYR 50.A O no hydrogen 2.860 N/A THR 54.A OG1 TYR 50.A O no hydrogen 2.539 N/A GLN 55.A N LEU 51.A O no hydrogen 2.807 N/A ALA 56.A N GLY 52.A O no hydrogen 3.061 N/A GLU 57.A N THR 53.A O no hydrogen 3.273 N/A ASN 58.A N THR 54.A O no hydrogen 2.995 N/A ASN 58.A ND2 GLN 55.A OE1 no hydrogen 3.031 N/A GLU 59.A N ALA 56.A O no hydrogen 3.317 N/A GLN 60.A N GLN 55.A O no hydrogen 2.836 N/A ALA 64.A N GLN 60.A O no hydrogen 2.811 N/A ILE 65.A N GLU 61.A O no hydrogen 2.721 N/A SER 66.A N LEU 62.A O no hydrogen 2.873 N/A ALA 67.A N LEU 63.A O no hydrogen 3.029 N/A LEU 68.A N ALA 64.A O no hydrogen 2.833 N/A ARG 69.A N ILE 65.A O no hydrogen 2.864 N/A ARG 70.A N SER 66.A O no hydrogen 3.109 N/A CYS 71.A N ALA 67.A O no hydrogen 3.146 N/A CYS 71.A SG MET 45.A O no hydrogen 3.672 N/A LEU 72.A N LEU 68.A O no hydrogen 3.109 N/A GLU 73.A N ARG 69.A O no hydrogen 2.892 N/A LEU 74.A N CYS 71.A O no hydrogen 3.089 N/A LYS 75.A N CYS 71.A O no hydrogen 2.863 N/A LYS 75.A NZ ASP 77.A OD1 no hydrogen 2.911 N/A ASN 78.A N LYS 75.A O no hydrogen 2.887 N/A ASN 78.A ND2 GLN 49.A OE1 no hydrogen 2.754 N/A ALA 81.A N ASN 78.A OD1 no hydrogen 3.048 N/A LEU 82.A N ASN 78.A O no hydrogen 2.980 N/A MET 83.A N GLN 79.A O no hydrogen 3.032 N/A ALA 84.A N THR 80.A O no hydrogen 3.057 N/A LEU 85.A N ALA 81.A O no hydrogen 2.937 N/A ALA 86.A N LEU 82.A O no hydrogen 2.958 N/A VAL 87.A N MET 83.A O no hydrogen 3.128 N/A SER 88.A N ALA 84.A O no hydrogen 3.032 N/A SER 88.A OG GLU 61.A OE2 no hydrogen 2.672 N/A SER 88.A OG ALA 84.A O no hydrogen 3.493 N/A PHE 89.A N LEU 85.A O no hydrogen 2.848 N/A THR 90.A N ALA 86.A O no hydrogen 3.018 N/A THR 90.A OG1 ALA 86.A O no hydrogen 2.783 N/A ASN 91.A N VAL 87.A O no hydrogen 2.995 N/A ASN 91.A ND2 GLU 61.A OE1 no hydrogen 3.011 N/A GLU 92.A N SER 88.A O no hydrogen 3.025 N/A SER 93.A N THR 90.A O no hydrogen 3.135 N/A LEU 94.A N PHE 89.A O no hydrogen 2.852 N/A GLN 97.A N GLN 97.A OE1 no hydrogen 3.027 N/A ALA 98.A N LEU 94.A O no hydrogen 3.041 N/A CYS 99.A N GLN 95.A O no hydrogen 3.057 N/A CYS 99.A SG GLN 95.A O no hydrogen 3.565 N/A GLU 100.A N ARG 96.A O no hydrogen 3.051 N/A THR 101.A N GLN 97.A O no hydrogen 3.121 N/A THR 101.A OG1 GLN 97.A O no hydrogen 3.259 N/A LEU 102.A N ALA 98.A O no hydrogen 3.016 N/A ARG 103.A N CYS 99.A O no hydrogen 3.037 N/A ARG 103.A NH1 GLU 122.A OE2 no hydrogen 3.123 N/A ASP 104.A N GLU 100.A O no hydrogen 3.106 N/A TRP 105.A N THR 101.A O no hydrogen 2.775 N/A LEU 106.A N LEU 102.A O no hydrogen 3.093 N/A ARG 107.A N ARG 103.A O no hydrogen 2.879 N/A ARG 107.A NE ASP 104.A OD1 no hydrogen 3.535 N/A TYR 108.A N ASP 104.A O no hydrogen 2.948 N/A THR 109.A N LEU 106.A O no hydrogen 3.349 N/A THR 109.A OG1 GLN 79.A OE1 no hydrogen 3.230 N/A THR 109.A OG1 TRP 105.A O no hydrogen 2.677 N/A TYR 112.A N THR 109.A O no hydrogen 2.725 N/A TYR 112.A OH ASP 139.A OD2 no hydrogen 2.706 N/A LEU 115.A N TYR 112.A O no hydrogen 3.124 N/A VAL 116.A N ALA 113.A O no hydrogen 3.216 N/A LEU 121.A N ASP 117.A O no hydrogen 3.314 N/A GLU 122.A N SER 118.A O no hydrogen 2.977 N/A VAL 123.A N LEU 119.A O no hydrogen 3.011 N/A LYS 124.A N PHE 120.A O no hydrogen 2.881 N/A GLU 125.A N LEU 121.A O no hydrogen 2.984 N/A LEU 126.A N GLU 122.A O no hydrogen 3.093 N/A PHE 127.A N VAL 123.A O no hydrogen 3.154 N/A LEU 128.A N LYS 124.A O no hydrogen 3.127 N/A ALA 129.A N GLU 125.A O no hydrogen 2.899 N/A ALA 130.A N LEU 126.A O no hydrogen 3.004 N/A VAL 131.A N PHE 127.A O no hydrogen 3.051 N/A ARG 132.A N LEU 128.A O no hydrogen 3.208 N/A LEU 133.A N ALA 130.A O no hydrogen 3.300 N/A THR 136.A OG1 ASP 134.A OD1 no hydrogen 3.072 N/A SER 137.A N ASP 134.A O no hydrogen 3.356 N/A SER 137.A OG ASP 134.A OD2 no hydrogen 2.957 N/A ASP 141.A N ASP 139.A OD1 no hydrogen 2.906 N/A VAL 142.A N ASP 139.A OD1 no hydrogen 3.361 N/A GLN 143.A N ASP 139.A O no hydrogen 3.031 N/A CYS 144.A N PRO 140.A O no hydrogen 2.953 N/A GLY 145.A N ASP 141.A O no hydrogen 2.981 N/A LEU 146.A N VAL 142.A O no hydrogen 2.934 N/A GLY 147.A N GLN 143.A O no hydrogen 2.920 N/A VAL 148.A N CYS 144.A O no hydrogen 2.998 N/A LEU 149.A N GLY 145.A O no hydrogen 3.177 N/A PHE 150.A N LEU 146.A O no hydrogen 2.992 N/A ASN 151.A N GLY 147.A O no hydrogen 3.096 N/A ASN 151.A ND2 GLY 147.A O no hydrogen 2.874 N/A ASN 151.A ND2 THR 183.A OG1 no hydrogen 3.086 N/A LEU 152.A N VAL 148.A O no hydrogen 3.087 N/A SER 153.A N LEU 149.A O no hydrogen 3.086 N/A SER 153.A OG LEU 149.A O no hydrogen 3.453 N/A SER 153.A OG PHE 150.A O no hydrogen 3.253 N/A SER 153.A OG GLU 155.A OE1 no hydrogen 2.677 N/A GLY 154.A N ASN 151.A O no hydrogen 3.229 N/A GLU 155.A N PHE 150.A O no hydrogen 2.711 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 2.704 N/A ALA 159.A N GLU 155.A O no hydrogen 3.110 N/A VAL 160.A N TYR 156.A O no hydrogen 2.757 N/A ASP 161.A N ASP 157.A O no hydrogen 3.296 N/A CYS 162.A N LYS 158.A O no hydrogen 3.229 N/A CYS 162.A SG GLN 143.A OE1 no hydrogen 3.738 N/A CYS 162.A SG LYS 158.A O no hydrogen 3.479 N/A PHE 163.A N ALA 159.A O no hydrogen 3.040 N/A THR 164.A N VAL 160.A O no hydrogen 2.959 N/A THR 164.A OG1 VAL 160.A O no hydrogen 2.722 N/A ALA 165.A N ASP 161.A O no hydrogen 2.854 N/A ALA 166.A N CYS 162.A O no hydrogen 3.055 N/A LEU 167.A N PHE 163.A O no hydrogen 2.858 N/A SER 168.A N THR 164.A O no hydrogen 3.127 N/A SER 168.A N ALA 165.A O no hydrogen 3.268 N/A SER 168.A OG ALA 165.A O no hydrogen 2.736 N/A VAL 169.A N ALA 166.A O no hydrogen 3.177 N/A ARG 170.A N ALA 166.A O no hydrogen 3.011 N/A ASP 173.A N ARG 170.A O no hydrogen 3.029 N/A LEU 175.A N ASP 173.A OD1 no hydrogen 2.913 N/A TRP 177.A N ASP 173.A O no hydrogen 3.332 N/A TRP 177.A NE1 PRO 171.A O no hydrogen 2.823 N/A ASN 178.A N TYR 174.A O no hydrogen 3.165 N/A LYS 179.A N LEU 175.A O no hydrogen 3.108 N/A LEU 180.A N LEU 176.A O no hydrogen 2.848 N/A GLY 181.A N TRP 177.A O no hydrogen 2.936 N/A ALA 182.A N ASN 178.A O no hydrogen 2.802 N/A THR 183.A N LYS 179.A O no hydrogen 2.923 N/A THR 183.A OG1 LYS 179.A O no hydrogen 2.720 N/A LEU 184.A N LEU 180.A O no hydrogen 2.800 N/A ALA 185.A N GLY 181.A O no hydrogen 2.728 N/A ASN 186.A N ALA 182.A O no hydrogen 2.906 N/A ASN 186.A ND2 ASN 151.A OD1 no hydrogen 3.124 N/A GLY 187.A N THR 183.A O no hydrogen 3.262 N/A ASN 188.A N ALA 185.A O no hydrogen 3.123 N/A GLN 189.A N LEU 184.A O no hydrogen 2.928 N/A ALA 193.A N GLN 189.A O no hydrogen 3.042 N/A VAL 194.A N SER 190.A O no hydrogen 2.957 N/A ALA 195.A N GLU 191.A O no hydrogen 3.241 N/A ALA 196.A N GLU 192.A O no hydrogen 3.283 N/A TYR 197.A N ALA 193.A O no hydrogen 3.003 N/A ARG 198.A N VAL 194.A O no hydrogen 2.862 N/A ARG 199.A N ALA 195.A O no hydrogen 3.143 N/A ALA 200.A N ALA 196.A O no hydrogen 3.032 N/A LEU 201.A N TYR 197.A O no hydrogen 2.850 N/A GLU 202.A N ARG 198.A O no hydrogen 3.021 N/A GLU 202.A N ARG 199.A O no hydrogen 3.163 N/A LEU 203.A N ARG 199.A O no hydrogen 3.146 N/A GLN 204.A N ALA 200.A O no hydrogen 2.891 N/A TYR 207.A N GLN 204.A O no hydrogen 3.038 N/A ARG 209.A N GLU 57.A O no hydrogen 2.898 N/A ARG 209.A NH1 GLU 59.A OE1 no hydrogen 2.844 N/A ARG 209.A NH2 GLU 61.A OE1 no hydrogen 2.894 N/A ARG 209.A NH2 GLU 61.A OE2 no hydrogen 2.836 N/A SER 210.A OG ASN 178.A OD1 no hydrogen 2.933 N/A ARG 211.A N TYR 207.A O no hydrogen 3.196 N/A ARG 211.A NH1 GLU 233.A OE1 no hydrogen 2.869 N/A ARG 211.A NH2 PRO 205.A O no hydrogen 2.767 N/A TYR 212.A N ILE 208.A O no hydrogen 2.855 N/A TYR 212.A OH THR 256.A OG1 no hydrogen 2.670 N/A ASN 213.A N ARG 209.A O no hydrogen 2.977 N/A ASN 213.A ND2 ASN 178.A OD1 no hydrogen 2.743 N/A LEU 214.A N SER 210.A O no hydrogen 2.959 N/A GLY 215.A N ARG 211.A O no hydrogen 3.086 N/A ILE 216.A N TYR 212.A O no hydrogen 3.092 N/A SER 217.A N ASN 213.A O no hydrogen 2.983 N/A CYS 218.A N LEU 214.A O no hydrogen 3.016 N/A CYS 218.A SG LEU 214.A O no hydrogen 3.574 N/A CYS 218.A SG GLU 226.A OE1 no hydrogen 3.776 N/A ILE 219.A N GLY 215.A O no hydrogen 2.952 N/A ASN 220.A N ILE 216.A O no hydrogen 3.020 N/A LEU 221.A N SER 217.A O no hydrogen 3.007 N/A GLY 222.A N ILE 219.A O no hydrogen 2.925 N/A HIS 224.A N GLY 222.A O no hydrogen 2.724 N/A ALA 227.A N ALA 223.A O no hydrogen 2.921 N/A VAL 228.A N HIS 224.A O no hydrogen 2.955 N/A GLU 229.A N ARG 225.A O no hydrogen 2.922 N/A HIS 230.A N GLU 226.A O no hydrogen 2.847 N/A PHE 231.A N ALA 227.A O no hydrogen 2.935 N/A LEU 232.A N VAL 228.A O no hydrogen 2.824 N/A GLU 233.A N GLU 229.A O no hydrogen 2.910 N/A ALA 234.A N HIS 230.A O no hydrogen 3.031 N/A LEU 235.A N PHE 231.A O no hydrogen 3.017 N/A ASN 236.A N LEU 232.A O no hydrogen 2.975 N/A MET 237.A N GLU 233.A O no hydrogen 2.910 N/A GLN 238.A N ALA 234.A O no hydrogen 3.086 N/A GLN 238.A NE2 ASN 58.A OD1 no hydrogen 3.168 N/A GLN 238.A NE2 SER 250.A OG no hydrogen 2.930 N/A ARG 239.A N LEU 235.A O no hydrogen 2.898 N/A ARG 239.A N ASN 236.A O no hydrogen 3.260 N/A ARG 239.A NH1 SER 279.A OG no hydrogen 2.792 N/A ARG 239.A NH2 SER 279.A OG no hydrogen 2.985 N/A ARG 239.A NH2 GLN 289.A OE1 no hydrogen 3.406 N/A LYS 240.A NZ GLN 289.A OXT no hydrogen 3.148 N/A ARG 242.A N GLY 244.A O no hydrogen 3.200 N/A GLY 246.A N SER 241.A OG no hydrogen 2.798 N/A GLY 247.A N ARG 239.A O no hydrogen 2.659 N/A SER 250.A N GLN 238.A OE1 no hydrogen 2.960 N/A SER 250.A OG ASN 58.A O no hydrogen 3.298 N/A SER 250.A OG GLU 59.A O no hydrogen 2.622 N/A ASN 252.A ND2 GLU 59.A OE2 no hydrogen 2.899 N/A TRP 254.A N SER 250.A O no hydrogen 3.149 N/A SER 255.A N GLU 251.A O no hydrogen 3.219 N/A SER 255.A OG ASN 252.A O no hydrogen 3.172 N/A THR 256.A N ASN 252.A O no hydrogen 3.222 N/A THR 256.A OG1 TYR 212.A OH no hydrogen 2.670 N/A THR 256.A OG1 ASN 252.A O no hydrogen 2.969 N/A LEU 257.A N ILE 253.A O no hydrogen 3.034 N/A ARG 258.A N TRP 254.A O no hydrogen 3.216 N/A ARG 258.A NE ASP 274.A OD1 no hydrogen 3.098 N/A ARG 258.A NH1 ARG 258.A O no hydrogen 2.773 N/A ARG 258.A NH1 SER 262.A OG no hydrogen 2.704 N/A LEU 259.A N SER 255.A O no hydrogen 3.165 N/A ALA 260.A N THR 256.A O no hydrogen 2.964 N/A LEU 261.A N LEU 257.A O no hydrogen 2.791 N/A SER 262.A OG ARG 258.A O no hydrogen 3.555 N/A MET 263.A N LEU 259.A O no hydrogen 3.147 N/A LEU 264.A N ALA 260.A O no hydrogen 2.957 N/A GLY 265.A N LEU 261.A O no hydrogen 2.761 N/A ALA 269.A N GLN 266.A O no hydrogen 3.142 N/A TYR 270.A N SER 267.A O no hydrogen 3.382 N/A ALA 273.A N ALA 269.A O no hydrogen 3.101 N/A ASP 274.A N TYR 270.A O no hydrogen 2.728 N/A ALA 275.A N GLY 271.A O no hydrogen 2.821 N/A ARG 276.A N ALA 273.A O no hydrogen 3.141 N/A ARG 276.A NE GLU 251.A OE1 no hydrogen 3.426 N/A ARG 276.A NH1 ALA 273.A O no hydrogen 2.885 N/A ARG 276.A NH2 GLU 251.A OE2 no hydrogen 2.565 N/A ASP 277.A N ALA 272.A O no hydrogen 2.919 N/A THR 280.A N ASP 277.A OD1 no hydrogen 3.465 N/A THR 280.A OG1 ASP 277.A OD2 no hydrogen 2.572 N/A LEU 281.A N ASP 277.A O no hydrogen 3.397 N/A LEU 282.A N LEU 278.A O no hydrogen 2.792 N/A THR 283.A N SER 279.A O no hydrogen 3.266 N/A THR 283.A OG1 SER 279.A O no hydrogen 3.141 N/A MET 284.A N THR 280.A O no hydrogen 2.929 N/A PHE 285.A N LEU 281.A O no hydrogen 3.021 N/A PHE 285.A N LEU 282.A O no hydrogen 3.286 N/A GLY 286.A N THR 283.A O no hydrogen 3.173 N/A LEU 287.A N LEU 282.A O no hydrogen 2.761 N/A GLN 289.A NE2 SER 279.A O no hydrogen 2.969 N/A