Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1cju_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N ASN 161.A O no hydrogen 3.052 N/A ARG 4.A N THR 185.A OG1 no hydrogen 3.045 N/A LEU 5.A N HIS 163.A O no hydrogen 2.767 N/A LEU 7.A N PHE 165.A O no hydrogen 3.106 N/A LEU 8.A N ILE 188.A O no hydrogen 2.749 N/A SER 13.A OG ALA 10.A O no hydrogen 2.962 N/A SER 13.A OG VAL 190.A O no hydrogen 3.523 N/A LYS 15.A NZ GLY 9.A O no hydrogen 3.286 N/A LYS 15.A NZ VAL 167.A O no hydrogen 2.971 N/A SER 16.A OG THR 147.A OG1 no hydrogen 2.709 N/A SER 16.A OG ASP 166.A OD2 no hydrogen 2.849 N/A ILE 18.A N GLY 14.A O no hydrogen 3.302 N/A ILE 18.A N LYS 15.A O no hydrogen 3.055 N/A VAL 19.A N SER 16.A O no hydrogen 3.235 N/A LYS 20.A N SER 16.A O no hydrogen 3.242 N/A LYS 20.A NZ LEU 140.A O no hydrogen 3.092 N/A GLN 21.A N THR 17.A O no hydrogen 3.294 N/A GLN 21.A N ILE 18.A O no hydrogen 3.279 N/A GLN 21.A NE2 ALA 309.A O no hydrogen 2.902 N/A GLN 21.A NE2 THR 312.A OG1 no hydrogen 3.103 N/A MET 22.A N ILE 18.A O no hydrogen 3.369 N/A ARG 23.A N VAL 19.A O no hydrogen 3.222 N/A ILE 24.A N LYS 20.A O no hydrogen 3.171 N/A LEU 25.A N GLN 21.A O no hydrogen 2.670 N/A HIS 26.A N MET 22.A O no hydrogen 2.760 N/A VAL 27.A N ARG 23.A O no hydrogen 3.040 N/A ASN 28.A N ARG 23.A O no hydrogen 2.855 N/A LYS 31.A NZ PRO 135.A O no hydrogen 2.732 N/A THR 33.A N GLU 30.A O no hydrogen 2.951 N/A ILE 38.A N LYS 34.A O no hydrogen 2.884 N/A LYS 39.A N VAL 35.A O no hydrogen 2.857 N/A ASN 40.A N GLN 36.A O no hydrogen 3.268 N/A ASN 40.A N ASP 37.A O no hydrogen 3.163 N/A ASN 41.A N ASP 37.A O no hydrogen 3.183 N/A ASN 41.A ND2 ARG 144.A O no hydrogen 3.525 N/A LEU 42.A N ILE 38.A O no hydrogen 3.154 N/A LYS 43.A N LYS 39.A O no hydrogen 2.982 N/A LYS 43.A NZ VAL 77.A O no hydrogen 3.545 N/A LYS 43.A NZ MET 78.A O no hydrogen 3.230 N/A GLU 44.A N ASN 40.A O no hydrogen 2.829 N/A ALA 45.A N ASN 41.A O no hydrogen 2.867 N/A ILE 46.A N LEU 42.A O no hydrogen 3.046 N/A GLU 47.A N LYS 43.A O no hydrogen 3.111 N/A THR 48.A N GLU 44.A O no hydrogen 3.173 N/A THR 48.A OG1 GLU 44.A O no hydrogen 2.767 N/A ILE 49.A N ALA 45.A O no hydrogen 3.141 N/A VAL 50.A N ILE 46.A O no hydrogen 3.003 N/A ALA 51.A N GLU 47.A O no hydrogen 2.831 N/A ALA 52.A N THR 48.A O no hydrogen 3.258 N/A ALA 52.A N ILE 49.A O no hydrogen 3.166 N/A MET 53.A N VAL 50.A O no hydrogen 3.182 N/A ASN 55.A N ALA 52.A O no hydrogen 3.120 N/A ASN 55.A ND2 ALA 51.A O no hydrogen 3.001 N/A LEU 56.A N ALA 52.A O no hydrogen 3.193 N/A VAL 60.A N MET 53.A O no hydrogen 3.211 N/A ALA 63.A N ASP 99.A OD1 no hydrogen 3.172 N/A ASN 64.A N ASP 99.A OD2 no hydrogen 3.306 N/A ASN 64.A ND2 ASP 99.A OD2 no hydrogen 3.392 N/A ASN 67.A N ASN 64.A O no hydrogen 2.877 N/A ASN 67.A ND2 ASN 64.A O no hydrogen 3.460 N/A ASN 67.A ND2 ASP 99.A OD2 no hydrogen 2.798 N/A GLN 68.A N PRO 65.A O no hydrogen 3.288 N/A PHE 69.A N GLU 66.A O no hydrogen 3.212 N/A VAL 71.A N ASN 67.A O no hydrogen 2.831 N/A ASP 72.A N GLN 68.A O no hydrogen 3.117 N/A TYR 73.A N PHE 69.A O no hydrogen 3.044 N/A ILE 74.A N ARG 70.A O no hydrogen 3.000 N/A LEU 75.A N VAL 71.A O no hydrogen 3.300 N/A SER 76.A N ASP 72.A O no hydrogen 3.142 N/A SER 76.A OG ASP 72.A O no hydrogen 3.483 N/A SER 76.A OG TYR 73.A O no hydrogen 2.683 N/A VAL 77.A N ILE 74.A O no hydrogen 3.326 N/A MET 78.A N LEU 75.A O no hydrogen 3.101 N/A PHE 89.A N PRO 86.A O no hydrogen 3.002 N/A HIS 92.A N GLU 88.A O no hydrogen 2.873 N/A ALA 93.A N PHE 89.A O no hydrogen 2.927 N/A LYS 94.A N TYR 90.A O no hydrogen 2.949 N/A ALA 95.A N GLU 91.A O no hydrogen 3.022 N/A LEU 96.A N HIS 92.A O no hydrogen 3.022 N/A TRP 97.A N ALA 93.A O no hydrogen 2.894 N/A TRP 97.A NE1 ASP 123.A OD1 no hydrogen 2.922 N/A GLU 98.A N ALA 95.A O no hydrogen 3.046 N/A ASP 99.A N LEU 96.A O no hydrogen 2.955 N/A GLY 101.A N ASP 99.A OD1 no hydrogen 2.744 N/A ARG 103.A N ASP 99.A O no hydrogen 3.032 N/A ARG 103.A NH2 TRP 97.A O no hydrogen 2.878 N/A ALA 104.A N GLU 100.A O no hydrogen 2.664 N/A CYS 105.A N GLY 101.A O no hydrogen 2.969 N/A CYS 105.A SG ILE 49.A O no hydrogen 3.398 N/A CYS 105.A SG TYR 112.A OH no hydrogen 3.850 N/A TYR 106.A N VAL 102.A O no hydrogen 3.253 N/A TYR 106.A OH GLN 119.A OE1 no hydrogen 2.888 N/A GLU 107.A N ARG 103.A O no hydrogen 3.055 N/A ARG 108.A N CYS 105.A O no hydrogen 3.258 N/A ARG 108.A NE GLU 111.A OE2 no hydrogen 2.964 N/A ARG 108.A NH1 PRO 58.A O no hydrogen 3.128 N/A ARG 108.A NH2 GLU 111.A OE1 no hydrogen 2.757 N/A SER 109.A N TYR 106.A O no hydrogen 2.885 N/A ASN 110.A ND2 ASN 197.A O no hydrogen 2.846 N/A GLU 111.A N ARG 108.A O no hydrogen 3.141 N/A TYR 112.A N SER 109.A O no hydrogen 3.340 N/A TYR 112.A OH CYS 105.A O no hydrogen 3.395 N/A GLN 113.A NE2 VAL 199.A O no hydrogen 3.017 N/A GLN 113.A NE2 ASN 204.A OD1 no hydrogen 3.143 N/A ALA 118.A N ILE 115.A O no hydrogen 3.383 N/A TYR 120.A OH ASP 139.A OD1 no hydrogen 2.737 N/A PHE 121.A N CYS 117.A O no hydrogen 3.087 N/A LEU 122.A N ALA 118.A O no hydrogen 3.042 N/A ASP 123.A N GLN 119.A O no hydrogen 3.271 N/A LYS 124.A N PHE 121.A O no hydrogen 3.133 N/A LYS 124.A NZ TYR 120.A OH no hydrogen 3.317 N/A LYS 124.A NZ ASP 139.A OD1 no hydrogen 2.868 N/A VAL 127.A N LYS 124.A O no hydrogen 3.111 N/A ILE 128.A N LYS 124.A O no hydrogen 3.138 N/A LYS 129.A N ILE 125.A O no hydrogen 2.972 N/A GLN 130.A NE2 ASP 126.A O no hydrogen 3.416 N/A TYR 133.A OH ASP 139.A OD2 no hydrogen 2.705 N/A GLN 138.A NE2 VAL 310.A O no hydrogen 3.198 N/A ASP 139.A N SER 136.A OG no hydrogen 3.173 N/A LEU 140.A N SER 136.A O no hydrogen 3.261 N/A LEU 141.A N ASP 137.A O no hydrogen 3.160 N/A ARG 142.A N GLN 138.A O no hydrogen 3.116 N/A ARG 142.A NE GLN 138.A OE1 no hydrogen 2.870 N/A CYS 143.A N ASP 139.A O no hydrogen 3.036 N/A CYS 143.A SG ASN 41.A OD1 no hydrogen 3.839 N/A ARG 144.A N ASN 41.A OD1 no hydrogen 3.105 N/A THR 147.A OG1 SER 16.A OG no hydrogen 2.709 N/A SER 148.A OG GLU 173.A OE2 no hydrogen 3.394 N/A PHE 151.A N ASP 166.A O no hydrogen 2.978 N/A THR 153.A N MET 164.A O no hydrogen 2.818 N/A PHE 155.A N PHE 162.A O no hydrogen 3.074 N/A VAL 157.A N VAL 160.A O no hydrogen 3.240 N/A ASN 161.A N ALA 1.A O no hydrogen 3.176 N/A PHE 162.A N PHE 155.A O no hydrogen 3.028 N/A HIS 163.A N HIS 3.A O no hydrogen 2.728 N/A MET 164.A N THR 153.A O no hydrogen 2.763 N/A PHE 165.A N LEU 5.A O no hydrogen 2.807 N/A ASP 166.A N PHE 151.A O no hydrogen 2.951 N/A ARG 171.A N GLU 202.A OE2 no hydrogen 3.025 N/A ARG 171.A NH2 GLU 211.A OE1 no hydrogen 2.802 N/A GLU 173.A N GLN 170.A O no hydrogen 2.818 N/A ARG 174.A N GLN 170.A O no hydrogen 3.207 N/A ARG 174.A NE GLY 169.A O no hydrogen 3.010 N/A ARG 174.A NH1 GLU 211.A OE2 no hydrogen 3.511 N/A ARG 174.A NH2 GLY 169.A O no hydrogen 3.519 N/A ARG 174.A NH2 GLU 211.A OE2 no hydrogen 3.193 N/A ARG 175.A NE ASP 172.A O no hydrogen 3.362 N/A LYS 176.A N GLU 173.A O no hydrogen 2.907 N/A LYS 176.A NZ GLU 173.A OE1 no hydrogen 2.989 N/A TRP 177.A N ARG 174.A O no hydrogen 3.030 N/A TRP 177.A NE1 GLY 168.A O no hydrogen 3.039 N/A GLN 179.A N LYS 176.A O no hydrogen 3.097 N/A GLN 179.A NE2 LYS 176.A O no hydrogen 3.536 N/A CYS 180.A N TRP 177.A O no hydrogen 2.800 N/A PHE 181.A N ILE 178.A O no hydrogen 3.182 N/A THR 185.A N ARG 4.A O no hydrogen 2.892 N/A ILE 187.A N SER 229.A O no hydrogen 2.971 N/A ILE 188.A N LEU 6.A O no hydrogen 2.844 N/A PHE 189.A N ILE 231.A O no hydrogen 2.899 N/A VAL 190.A N LEU 8.A O no hydrogen 2.675 N/A VAL 191.A N PHE 233.A O no hydrogen 2.964 N/A SER 193.A N ASN 235.A O no hydrogen 3.344 N/A SER 193.A OG ASN 235.A O no hydrogen 2.906 N/A SER 195.A N ALA 192.A O no hydrogen 2.813 N/A TYR 196.A OH SER 249.A O no hydrogen 2.603 N/A ASN 197.A ND2 SER 249.A OG no hydrogen 3.205 N/A ILE 200.A N THR 206.A O no hydrogen 3.069 N/A ARG 201.A NE GLU 12.A OE1 no hydrogen 2.985 N/A ARG 201.A NE GLU 12.A OE2 no hydrogen 3.324 N/A ARG 201.A NH2 GLU 12.A OE2 no hydrogen 2.786 N/A GLU 202.A N GLU 202.A OE1 no hydrogen 2.812 N/A ASN 204.A N ILE 200.A O no hydrogen 3.046 N/A GLN 205.A N ASP 203.A OD1 no hydrogen 2.555 N/A THR 206.A N ASP 203.A OD1 no hydrogen 2.898 N/A THR 206.A OG1 ASP 203.A OD2 no hydrogen 3.234 N/A ASN 207.A ND2 TYR 196.A O no hydrogen 3.149 N/A ARG 208.A N MET 198.A O no hydrogen 2.927 N/A ARG 208.A NE VAL 199.A O no hydrogen 2.921 N/A ARG 208.A NH1 GLU 12.A OE1 no hydrogen 3.298 N/A ARG 208.A NH2 GLU 12.A OE1 no hydrogen 3.254 N/A ARG 208.A NH2 GLN 113.A OE1 no hydrogen 3.016 N/A LEU 209.A N ASN 207.A OD1 no hydrogen 3.046 N/A GLN 210.A N ASN 207.A OD1 no hydrogen 3.284 N/A GLN 210.A NE2 ASN 214.A OD1 no hydrogen 3.024 N/A GLU 211.A N ASN 207.A O no hydrogen 2.812 N/A ALA 212.A N ARG 208.A O no hydrogen 3.115 N/A LEU 213.A N LEU 209.A O no hydrogen 2.920 N/A ASN 214.A N GLN 210.A O no hydrogen 2.923 N/A LEU 215.A N GLU 211.A O no hydrogen 2.966 N/A PHE 216.A N ALA 212.A O no hydrogen 2.845 N/A LYS 217.A N LEU 213.A O no hydrogen 2.943 N/A SER 218.A N ASN 214.A O no hydrogen 2.899 N/A SER 218.A OG ASN 214.A O no hydrogen 3.110 N/A ILE 219.A N LEU 215.A O no hydrogen 2.927 N/A TRP 220.A N PHE 216.A O no hydrogen 2.700 N/A ASN 221.A N LYS 217.A O no hydrogen 3.000 N/A ASN 221.A ND2 LYS 217.A O no hydrogen 3.086 N/A ASN 222.A N ILE 219.A O no hydrogen 3.352 N/A TRP 224.A N ASN 222.A OD1 no hydrogen 2.915 N/A LEU 225.A N ASN 222.A O no hydrogen 3.438 N/A ARG 226.A NE ARG 223.A O no hydrogen 3.219 N/A ILE 228.A N LEU 225.A O no hydrogen 3.174 N/A SER 229.A OG TYR 301.A O no hydrogen 3.204 N/A VAL 230.A N TYR 301.A O no hydrogen 2.957 N/A ILE 231.A N ILE 187.A O no hydrogen 2.640 N/A LEU 232.A N TYR 303.A O no hydrogen 2.931 N/A PHE 233.A N PHE 189.A O no hydrogen 2.837 N/A LEU 234.A N HIS 305.A O no hydrogen 2.820 N/A ASN 235.A ND2 SER 13.A O no hydrogen 2.988 N/A LYS 236.A NZ GLU 12.A O no hydrogen 2.977 N/A LYS 236.A NZ ASP 116.A OD1 no hydrogen 3.149 N/A LYS 236.A NZ ASP 116.A OD2 no hydrogen 2.862 N/A GLN 237.A N THR 307.A O no hydrogen 2.991 N/A GLN 237.A NE2 LEU 234.A O no hydrogen 3.290 N/A LEU 240.A N LYS 236.A O no hydrogen 3.303 N/A GLU 242.A N ASP 238.A O no hydrogen 3.165 N/A LYS 243.A N LEU 239.A O no hydrogen 3.097 N/A LYS 243.A NZ SER 194.A O no hydrogen 2.855 N/A LYS 243.A NZ ASN 197.A OD1 no hydrogen 2.727 N/A VAL 244.A N LEU 240.A O no hydrogen 2.946 N/A LEU 245.A N ALA 241.A O no hydrogen 2.935 N/A ALA 246.A N GLU 242.A O no hydrogen 3.036 N/A GLY 247.A N LYS 243.A O no hydrogen 3.345 N/A GLY 247.A N VAL 244.A O no hydrogen 3.286 N/A LYS 248.A NZ GLU 107.A OE1 no hydrogen 3.514 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.994 N/A ASP 253.A N LYS 250.A O no hydrogen 3.317 N/A TYR 254.A N ILE 251.A O no hydrogen 3.286 N/A PHE 255.A N ILE 251.A O no hydrogen 3.055 N/A GLU 257.A N GLU 257.A OE1 no hydrogen 2.774 N/A PHE 258.A N PHE 255.A O no hydrogen 3.146 N/A ALA 259.A N PRO 256.A O no hydrogen 3.153 N/A ARG 260.A N GLU 257.A O no hydrogen 3.288 N/A TYR 261.A OH ASP 286.A OD2 no hydrogen 3.027 N/A THR 268.A N TYR 282.A OH no hydrogen 3.322 N/A THR 268.A OG1 THR 268.A O no hydrogen 2.683 N/A THR 268.A OG1 TYR 282.A OH no hydrogen 3.271 N/A GLU 270.A N GLU 273.A OE2 no hydrogen 3.415 N/A GLU 273.A N GLU 270.A O no hydrogen 2.934 N/A ARG 276.A N ASP 274.A OD1 no hydrogen 2.737 N/A ARG 276.A NE ASP 274.A OD1 no hydrogen 3.182 N/A ARG 276.A NH2 ASP 274.A OD2 no hydrogen 2.824 N/A THR 278.A N ASP 274.A O no hydrogen 3.005 N/A THR 278.A OG1 GLU 273.A OE2 no hydrogen 2.816 N/A THR 278.A OG1 ASP 274.A O no hydrogen 3.190 N/A ARG 279.A N PRO 275.A O no hydrogen 3.007 N/A ARG 279.A NE TYR 261.A O no hydrogen 3.062 N/A ARG 279.A NH2 TYR 261.A O no hydrogen 2.834 N/A ALA 280.A N ARG 276.A O no hydrogen 3.010 N/A LYS 281.A N VAL 277.A O no hydrogen 2.895 N/A LYS 281.A NZ GLU 273.A OE1 no hydrogen 2.788 N/A LYS 281.A NZ GLU 273.A OE2 no hydrogen 3.512 N/A TYR 282.A N THR 278.A O no hydrogen 3.023 N/A PHE 283.A N ARG 279.A O no hydrogen 3.297 N/A PHE 283.A N ALA 280.A O no hydrogen 3.152 N/A ILE 284.A N ALA 280.A O no hydrogen 3.268 N/A ARG 285.A N LYS 281.A O no hydrogen 3.288 N/A ARG 285.A NE ASP 286.A OD1 no hydrogen 3.449 N/A ARG 285.A NH2 ASP 286.A OD1 no hydrogen 3.453 N/A ASP 286.A N TYR 282.A O no hydrogen 2.961 N/A GLU 287.A N PHE 283.A O no hydrogen 3.159 N/A LEU 289.A N ARG 285.A O no hydrogen 3.001 N/A ARG 290.A N ASP 286.A O no hydrogen 2.870 N/A SER 292.A N PHE 288.A O no hydrogen 3.382 N/A SER 292.A OG PHE 288.A O no hydrogen 3.389 N/A SER 292.A OG LEU 289.A O no hydrogen 3.267 N/A THR 293.A N LEU 289.A O no hydrogen 2.970 N/A THR 293.A OG1 LEU 289.A O no hydrogen 2.619 N/A SER 295.A OG ASN 221.A OD1 no hydrogen 2.811 N/A HIS 300.A ND1 ILE 228.A O no hydrogen 2.769 N/A TYR 301.A N SER 229.A OG no hydrogen 2.841 N/A CYS 302.A SG VAL 230.A O no hydrogen 3.461 N/A TYR 303.A N VAL 230.A O no hydrogen 3.003 N/A HIS 305.A N LEU 232.A O no hydrogen 2.850 N/A HIS 305.A NE2 ASP 321.A OD1 no hydrogen 3.226 N/A THR 307.A N LEU 234.A O no hydrogen 3.015 N/A CYS 308.A SG ASP 238.A OD1 no hydrogen 3.219 N/A ALA 309.A N ASN 235.A OD1 no hydrogen 2.668 N/A ASP 311.A N CYS 308.A O no hydrogen 3.103 N/A THR 312.A OG1 GLN 21.A OE1 no hydrogen 2.925 N/A GLU 313.A N ASP 311.A OD1 no hydrogen 3.194 N/A ASN 314.A N ASP 311.A OD1 no hydrogen 3.246 N/A ILE 315.A N ASP 311.A O no hydrogen 3.125 N/A VAL 318.A N ASN 314.A O no hydrogen 3.239 N/A PHE 319.A N ILE 315.A O no hydrogen 2.883 N/A ASN 320.A N ARG 316.A O no hydrogen 3.014 N/A ASN 320.A N ARG 317.A O no hydrogen 3.252 N/A ASP 321.A N ARG 317.A O no hydrogen 3.169 N/A CYS 322.A N VAL 318.A O no hydrogen 3.171 N/A CYS 322.A SG VAL 318.A O no hydrogen 2.942 N/A ARG 323.A N PHE 319.A O no hydrogen 2.956 N/A ASP 324.A N ASP 321.A O no hydrogen 3.288 N/A ILE 325.A N ASP 321.A O no hydrogen 3.198 N/A ILE 326.A N CYS 322.A O no hydrogen 2.915 N/A GLN 327.A N ARG 323.A O no hydrogen 3.274 N/A GLN 327.A NE2 HIS 3.A NE2 no hydrogen 3.046 N/A ARG 328.A N ASP 324.A O no hydrogen 2.814 N/A MET 329.A N ILE 325.A O no hydrogen 3.228 N/A HIS 330.A N GLN 327.A O no hydrogen 3.208 N/A LEU 331.A N ILE 326.A O no hydrogen 3.263 N/A