Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6agx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 8.A N ASP 5.A O no hydrogen 3.170 N/A GLU 9.A N ASP 5.A O no hydrogen 3.131 N/A PHE 10.A N ALA 87.A O no hydrogen 2.622 N/A ARG 12.A NE GLN 90.A O no hydrogen 2.833 N/A ARG 12.A NH1 PRO 93.A O no hydrogen 2.805 N/A ARG 12.A NH2 GLN 90.A O no hydrogen 3.083 N/A ARG 12.A NH2 PRO 93.A O no hydrogen 2.768 N/A LYS 14.A N PRO 11.A O no hydrogen 3.455 N/A LEU 15.A N ARG 12.A O no hydrogen 3.247 N/A THR 16.A N GLU 33.A O no hydrogen 2.925 N/A LEU 21.A N VAL 29.A O no hydrogen 2.808 N/A GLY 22.A N VAL 29.A O no hydrogen 3.388 N/A GLY 24.A N GLY 27.A O no hydrogen 3.206 N/A GLN 28.A N MET 52.A O no hydrogen 3.130 N/A VAL 29.A N GLY 22.A O no hydrogen 3.219 N/A VAL 30.A N VAL 50.A O no hydrogen 3.035 N/A MET 31.A N LYS 19.A O no hydrogen 2.855 N/A ALA 32.A N VAL 48.A O no hydrogen 3.039 N/A GLU 33.A N THR 16.A O no hydrogen 3.020 N/A ALA 34.A N VAL 46.A O no hydrogen 2.914 N/A GLY 36.A N GLU 44.A O no hydrogen 3.083 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 3.436 N/A LYS 41.A N ASP 38.A O no hydrogen 3.131 N/A GLU 44.A N LYS 41.A O no hydrogen 3.364 N/A VAL 46.A N ALA 34.A O no hydrogen 3.051 N/A VAL 48.A N ALA 32.A O no hydrogen 2.675 N/A ALA 49.A N VAL 98.A O no hydrogen 2.900 N/A VAL 50.A N VAL 30.A O no hydrogen 2.916 N/A LYS 51.A N VAL 96.A O no hydrogen 2.830 N/A MET 52.A N GLN 28.A O no hydrogen 2.926 N/A THR 58.A N ASP 61.A OD2 no hydrogen 3.334 N/A LYS 60.A NZ ASP 64.A OD1 no hydrogen 3.070 N/A LYS 60.A NZ ASP 64.A OD2 no hydrogen 3.026 N/A SER 63.A OG LYS 60.A O no hydrogen 3.078 N/A ASP 64.A N LYS 60.A O no hydrogen 3.135 N/A LEU 65.A N ASP 61.A O no hydrogen 3.198 N/A VAL 66.A N LEU 62.A O no hydrogen 3.372 N/A SER 67.A N SER 63.A O no hydrogen 2.731 N/A GLU 68.A N ASP 64.A O no hydrogen 2.899 N/A MET 69.A N LEU 65.A O no hydrogen 3.008 N/A GLU 70.A N VAL 66.A O no hydrogen 2.945 N/A MET 71.A N SER 67.A O no hydrogen 2.875 N/A MET 72.A N GLU 68.A O no hydrogen 3.041 N/A LYS 73.A N MET 69.A O no hydrogen 3.269 N/A LYS 73.A N GLU 70.A O no hydrogen 3.196 N/A LYS 73.A NZ ASP 5.A OD2 no hydrogen 2.974 N/A LYS 73.A NZ GLU 70.A OE2 no hydrogen 3.049 N/A ILE 75.A N MET 71.A O no hydrogen 3.120 N/A HIS 78.A N ASN 83.A OD1 no hydrogen 3.190 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 3.211 N/A ASN 80.A ND2 GLN 135.A OE1 no hydrogen 3.568 N/A ASN 80.A ND2 MET 166.A O no hydrogen 3.208 N/A ILE 82.A N ILE 168.A O no hydrogen 2.939 N/A ASN 83.A N GLU 99.A OE1 no hydrogen 2.851 N/A ASN 83.A ND2 HIS 78.A O no hydrogen 2.776 N/A ASN 83.A ND2 GLU 99.A OE1 no hydrogen 2.532 N/A LEU 85.A N ILE 97.A O no hydrogen 2.888 N/A GLY 86.A N ILE 97.A O no hydrogen 3.280 N/A ALA 87.A N TRP 8.A O no hydrogen 3.166 N/A CYS 88.A N TYR 95.A O no hydrogen 2.758 N/A CYS 88.A SG PHE 10.A O no hydrogen 3.287 N/A THR 89.A N GLU 9.A OE1 no hydrogen 3.217 N/A THR 89.A N GLU 9.A OE2 no hydrogen 3.312 N/A THR 89.A OG1 GLU 9.A OE2 no hydrogen 2.408 N/A GLN 90.A NE2 LEU 2.A O no hydrogen 3.027 N/A GLN 90.A NE2 PRO 3.A O no hydrogen 3.346 N/A GLN 90.A NE2 THR 89.A OG1 no hydrogen 2.963 N/A TYR 95.A N CYS 88.A O no hydrogen 2.977 N/A VAL 96.A N LYS 51.A O no hydrogen 2.965 N/A ILE 97.A N GLY 86.A O no hydrogen 2.781 N/A VAL 98.A N ALA 49.A O no hydrogen 2.761 N/A GLU 99.A N ASN 83.A O no hydrogen 3.133 N/A SER 102.A OG GLU 162.A OE1 no hydrogen 2.555 N/A LYS 103.A N VAL 160.A O no hydrogen 2.995 N/A LYS 103.A NZ GLU 122.A OE2 no hydrogen 2.673 N/A LYS 103.A NZ ASN 164.A OD1 no hydrogen 3.053 N/A GLY 104.A N ALA 101.A O no hydrogen 3.388 N/A LEU 106.A N ALA 155.A O no hydrogen 3.343 N/A LEU 106.A N VAL 158.A O no hydrogen 2.829 N/A TYR 109.A N ASN 105.A O no hydrogen 3.042 N/A LEU 110.A N LEU 106.A O no hydrogen 2.969 N/A ARG 111.A N ARG 107.A O no hydrogen 3.014 N/A ARG 111.A NE GLY 220.A O no hydrogen 2.993 N/A ARG 111.A NH2 GLY 220.A O no hydrogen 3.006 N/A ALA 112.A N GLU 108.A O no hydrogen 2.804 N/A ARG 113.A N LEU 110.A O no hydrogen 3.121 N/A ARG 113.A NH1 TYR 109.A O no hydrogen 2.902 N/A ARG 113.A NH2 GLU 122.A OE2 no hydrogen 3.277 N/A ARG 114.A N ARG 111.A O no hydrogen 3.483 N/A ARG 114.A NE LEU 219.A O no hydrogen 2.847 N/A ARG 114.A NH2 THR 218.A O no hydrogen 3.199 N/A ARG 114.A NH2 LEU 219.A O no hydrogen 3.314 N/A ARG 118.A N ASN 117.A OD1 no hydrogen 2.832 N/A GLU 121.A N GLU 121.A OE1 no hydrogen 2.640 N/A MET 124.A N ARG 113.A O no hydrogen 3.494 N/A THR 125.A N ASP 128.A OD2 no hydrogen 3.259 N/A ASP 128.A N THR 125.A OG1 no hydrogen 3.097 N/A LEU 129.A N THR 125.A O no hydrogen 3.166 N/A VAL 130.A N PHE 126.A O no hydrogen 3.037 N/A SER 131.A N LYS 127.A O no hydrogen 2.978 N/A CYS 132.A N ASP 128.A O no hydrogen 2.930 N/A CYS 132.A SG.B ASP 128.A O no hydrogen 3.381 N/A THR 133.A N LEU 129.A O no hydrogen 3.073 N/A THR 133.A OG1 LEU 129.A O no hydrogen 3.035 N/A TYR 134.A N VAL 130.A O no hydrogen 2.980 N/A GLN 135.A N SER 131.A O no hydrogen 3.188 N/A GLN 135.A NE2 SER 131.A O no hydrogen 3.216 N/A LEU 136.A N CYS 132.A O no hydrogen 3.038 N/A ALA 137.A N THR 133.A O no hydrogen 2.846 N/A ARG 138.A N TYR 134.A O no hydrogen 3.019 N/A GLY 139.A N GLN 135.A O no hydrogen 3.135 N/A MET 140.A N LEU 136.A O no hydrogen 2.894 N/A GLU 141.A N ALA 137.A O no hydrogen 2.725 N/A TYR 142.A N ARG 138.A O no hydrogen 2.923 N/A TYR 142.A OH ILE 75.A O no hydrogen 2.621 N/A LEU 143.A N GLY 139.A O no hydrogen 3.097 N/A ALA 144.A N MET 140.A O no hydrogen 2.992 N/A SER 145.A N GLU 141.A O no hydrogen 2.972 N/A SER 145.A OG TYR 142.A O no hydrogen 2.600 N/A GLN 146.A N TYR 142.A O no hydrogen 3.048 N/A GLN 146.A N LEU 143.A O no hydrogen 3.172 N/A LYS 147.A N ALA 144.A O no hydrogen 3.012 N/A CYS 148.A N LEU 143.A O no hydrogen 3.058 N/A CYS 148.A SG.A GLN 146.A O no hydrogen 3.098 N/A CYS 148.A SG.B ILE 149.A O no hydrogen 3.553 N/A CYS 148.A SG.B ARG 175.A O no hydrogen 3.736 N/A ILE 149.A N ARG 175.A O no hydrogen 2.955 N/A HIS 150.A N ASP 205.A OD2 no hydrogen 3.021 N/A HIS 150.A NE2 ALA 169.A O no hydrogen 2.820 N/A ARG 151.A N ASP 205.A OD1 no hydrogen 3.150 N/A ARG 151.A NE LEU 173.A O no hydrogen 2.726 N/A ARG 151.A NH1 LEU 173.A O no hydrogen 3.029 N/A ALA 155.A N GLU 215.A OE2 no hydrogen 3.190 N/A ARG 156.A NH2 ASP 152.A OD1 no hydrogen 3.092 N/A ASN 157.A N THR 154.A O no hydrogen 2.905 N/A VAL 158.A N ALA 155.A O no hydrogen 3.132 N/A LEU 159.A N LYS 167.A O no hydrogen 2.711 N/A VAL 160.A N GLY 104.A O no hydrogen 2.849 N/A THR 161.A N VAL 165.A O no hydrogen 3.191 N/A ASN 164.A N THR 161.A O no hydrogen 3.036 N/A ASN 164.A ND2 TYR 109.A OH no hydrogen 2.394 N/A VAL 165.A N THR 161.A OG1 no hydrogen 3.167 N/A MET 166.A N GLN 135.A OE1 no hydrogen 2.989 N/A LYS 167.A N LEU 159.A O no hydrogen 2.765 N/A LYS 167.A NZ LYS 79.A O no hydrogen 2.731 N/A LYS 167.A NZ ILE 81.A O no hydrogen 3.570 N/A LYS 167.A NZ GLU 99.A OE1 no hydrogen 3.225 N/A LYS 167.A NZ GLU 99.A OE2 no hydrogen 3.556 N/A ILE 168.A N ASN 80.A O no hydrogen 3.019 N/A ALA 169.A N ASN 157.A O no hydrogen 2.841 N/A ALA 174.A N PHE 171.A O no hydrogen 3.356 N/A ARG 175.A N ILE 149.A O no hydrogen 3.064 N/A ARG 175.A NH1 GLY 172.A O no hydrogen 3.455 N/A ARG 175.A NH1 ALA 174.A O no hydrogen 2.683 N/A ILE 177.A N LYS 147.A O no hydrogen 3.060 N/A LYS 179.A N ARG 198.A O no hydrogen 3.213 N/A LYS 179.A NZ ALA 194.A O no hydrogen 2.983 N/A THR 181.A OG1 THR 180.A O no hydrogen 2.326 N/A THR 181.A OG1 ASN 182.A OD1 no hydrogen 2.965 N/A ASN 182.A N THR 180.A OG1 no hydrogen 3.181 N/A LYS 188.A NZ PRO 223.A O no hydrogen 3.198 N/A LYS 188.A NZ TYR 224.A O no hydrogen 2.989 N/A LYS 188.A NZ ILE 227.A O no hydrogen 2.784 N/A TRP 189.A N PRO 186.A O no hydrogen 3.256 N/A TRP 189.A NE1 GLU 215.A OE2 no hydrogen 2.852 N/A MET 190.A N VAL 187.A O no hydrogen 3.185 N/A LEU 195.A N ALA 191.A O no hydrogen 3.093 N/A PHE 196.A N PRO 192.A O no hydrogen 2.821 N/A ASP 197.A N GLU 193.A O no hydrogen 2.730 N/A TYR 200.A OH ASP 205.A OD1 no hydrogen 2.678 N/A THR 201.A N SER 204.A OG no hydrogen 3.278 N/A GLN 203.A N THR 201.A OG1 no hydrogen 3.312 N/A GLN 203.A NE2 PRO 264.A O no hydrogen 2.796 N/A GLN 203.A NE2 PRO 268.A O no hydrogen 3.093 N/A SER 204.A N THR 201.A O no hydrogen 2.998 N/A SER 204.A OG GLU 193.A OE1 no hydrogen 2.793 N/A VAL 206.A N HIS 202.A O no hydrogen 3.113 N/A TRP 207.A N GLN 203.A O no hydrogen 3.459 N/A SER 208.A N SER 204.A O no hydrogen 3.274 N/A SER 208.A OG TRP 189.A O no hydrogen 2.484 N/A SER 208.A OG SER 204.A O no hydrogen 3.508 N/A PHE 209.A N ASP 205.A O no hydrogen 2.767 N/A GLY 210.A N VAL 206.A O no hydrogen 2.861 N/A VAL 211.A N TRP 207.A O no hydrogen 3.228 N/A VAL 211.A N SER 208.A O no hydrogen 3.055 N/A LEU 212.A N SER 208.A O no hydrogen 2.971 N/A MET 213.A N PHE 209.A O no hydrogen 2.915 N/A TRP 214.A N GLY 210.A O no hydrogen 3.355 N/A TRP 214.A NE1 ASP 243.A O no hydrogen 3.057 N/A GLU 215.A N VAL 211.A O no hydrogen 2.826 N/A ILE 216.A N LEU 212.A O no hydrogen 2.800 N/A PHE 217.A N MET 213.A O no hydrogen 2.888 N/A THR 218.A N TRP 214.A O no hydrogen 2.966 N/A THR 218.A N GLU 215.A O no hydrogen 3.337 N/A THR 218.A OG1 TRP 214.A O no hydrogen 2.900 N/A THR 218.A OG1 GLU 215.A O no hydrogen 3.001 N/A LEU 219.A N ILE 216.A O no hydrogen 2.894 N/A GLY 220.A N GLU 215.A O no hydrogen 2.873 N/A GLY 221.A N THR 218.A O no hydrogen 3.222 N/A GLY 221.A N THR 218.A OG1 no hydrogen 3.008 N/A ILE 227.A N TYR 224.A O no hydrogen 3.089 N/A GLU 230.A N GLU 230.A OE2 no hydrogen 2.759 N/A GLU 231.A N PRO 228.A O no hydrogen 2.965 N/A LEU 232.A N VAL 229.A O no hydrogen 3.112 N/A LEU 236.A N LEU 232.A O no hydrogen 3.015 N/A LYS 237.A N PHE 233.A O no hydrogen 3.368 N/A GLU 238.A N LYS 234.A O no hydrogen 3.106 N/A GLU 238.A N LEU 235.A O no hydrogen 3.150 N/A GLY 239.A N LEU 236.A O no hydrogen 3.097 N/A HIS 240.A N LEU 235.A O no hydrogen 2.933 N/A ARG 241.A NE TRP 260.A O no hydrogen 2.800 N/A ARG 241.A NH1 HIS 240.A O no hydrogen 2.896 N/A ARG 241.A NH2 TRP 260.A O no hydrogen 3.086 N/A LYS 244.A NZ CYS 248.A O no hydrogen 2.597 N/A CYS 248.A SG THR 249.A O no hydrogen 3.383 N/A LEU 252.A N THR 249.A OG1 no hydrogen 3.317 N/A TYR 253.A N THR 249.A O no hydrogen 3.254 N/A TYR 253.A OH MET 242.A O no hydrogen 2.754 N/A MET 254.A N ASN 250.A O no hydrogen 3.112 N/A MET 255.A N GLU 251.A O no hydrogen 3.078 N/A MET 256.A N LEU 252.A O no hydrogen 3.042 N/A ARG 257.A N TYR 253.A O no hydrogen 2.960 N/A ARG 257.A NH1 TYR 253.A OH no hydrogen 3.401 N/A ASP 258.A N MET 254.A O no hydrogen 2.846 N/A CYS 259.A N MET 255.A O no hydrogen 3.017 N/A CYS 259.A SG VAL 206.A O no hydrogen 3.699 N/A CYS 259.A SG MET 255.A O no hydrogen 3.280 N/A TRP 260.A N MET 256.A O no hydrogen 2.996 N/A TRP 260.A N ARG 257.A O no hydrogen 3.129 N/A HIS 261.A N ASP 258.A O no hydrogen 3.333 N/A VAL 263.A N HIS 261.A ND1 no hydrogen 3.409 N/A GLN 266.A N VAL 263.A O no hydrogen 2.703 N/A ARG 267.A NE HIS 261.A O no hydrogen 2.727 N/A ARG 267.A NH1 GLU 193.A OE1 no hydrogen 3.222 N/A ARG 267.A NH1 GLU 193.A OE2 no hydrogen 3.206 N/A ARG 267.A NH1 GLN 203.A O no hydrogen 2.607 N/A ARG 267.A NH2 GLU 193.A OE2 no hydrogen 2.464 N/A ARG 267.A NH2 HIS 261.A O no hydrogen 3.038 N/A THR 269.A N GLN 272.A OE1 no hydrogen 2.907 N/A THR 269.A OG1 GLN 272.A OE1 no hydrogen 3.179 N/A GLN 272.A N THR 269.A OG1 no hydrogen 3.324 N/A LEU 273.A N THR 269.A O no hydrogen 2.995 N/A VAL 274.A N PHE 270.A O no hydrogen 2.957 N/A GLU 275.A N LYS 271.A O no hydrogen 3.128 N/A ASP 276.A N GLN 272.A O no hydrogen 3.112 N/A LEU 277.A N LEU 273.A O no hydrogen 2.848 N/A ASP 278.A N VAL 274.A O no hydrogen 3.106 N/A ARG 279.A N GLU 275.A O no hydrogen 3.199 N/A ARG 279.A NH2 GLU 251.A OE2 no hydrogen 2.809 N/A ILE 280.A N ASP 276.A O no hydrogen 3.196 N/A LEU 281.A N LEU 277.A O no hydrogen 2.770 N/A THR 282.A N ASP 278.A O no hydrogen 2.928 N/A THR 282.A OG1 ASP 278.A O no hydrogen 2.856 N/A LEU 283.A N ARG 279.A O no hydrogen 3.324 N/A THR 284.A N ILE 280.A O no hydrogen 3.210 N/A THR 284.A OG1 ILE 280.A O no hydrogen 2.612 N/A