Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pto_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N THR 11.A O no hydrogen 2.653 N/A ASN 10.A N ILE 7.A O no hydrogen 2.984 N/A THR 11.A OG1 ASP 9.A OD1 no hydrogen 3.568 N/A THR 11.A OG1 ASP 9.A OD2 no hydrogen 2.535 N/A ILE 13.A N VAL 4.A O no hydrogen 3.171 N/A LYS 16.A NZ VAL 14.A O no hydrogen 2.960 N/A GLU 21.A N ASN 20.A OD1 no hydrogen 3.132 N/A GLU 25.A N LYS 285.A O no hydrogen 3.033 N/A TYR 26.A OH GLN 259.A O no hydrogen 2.657 N/A TYR 30.A N PRO 27.A O no hydrogen 2.969 N/A TYR 30.A OH GLU 36.A O no hydrogen 3.369 N/A PHE 31.A N ALA 28.A O no hydrogen 2.989 N/A LYS 33.A N TYR 30.A O no hydrogen 3.208 N/A SER 34.A OG GLU 36.A O no hydrogen 3.139 N/A LYS 35.A NZ PHE 31.A O no hydrogen 3.257 N/A GLU 36.A N SER 34.A OG no hydrogen 3.245 N/A LEU 39.A N VAL 107.A O no hydrogen 3.319 N/A TYR 40.A N ASN 189.A OD1 no hydrogen 3.443 N/A ILE 41.A N LEU 109.A O no hydrogen 3.384 N/A THR 43.A OG1 SER 70.A OG no hydrogen 3.369 N/A THR 44.A OG1 ASN 42.A O no hydrogen 3.516 N/A SER 46.A OG ASP 49.A OD2 no hydrogen 2.927 N/A LEU 50.A N SER 46.A O no hydrogen 3.249 N/A ARG 51.A NE ASP 129.A OD1 no hydrogen 3.375 N/A GLY 52.A N ASP 49.A O no hydrogen 3.020 N/A TYR 53.A N ASP 49.A O no hydrogen 3.153 N/A TYR 53.A OH PRO 117.A O no hydrogen 2.927 N/A TYR 53.A OH GLY 119.A O no hydrogen 2.903 N/A VAL 54.A N LEU 50.A O no hydrogen 3.168 N/A TYR 55.A N ARG 51.A O no hydrogen 3.160 N/A GLN 56.A N GLY 52.A O no hydrogen 2.928 N/A GLY 57.A N TYR 53.A O no hydrogen 2.914 N/A LEU 58.A N VAL 54.A O no hydrogen 2.911 N/A LYS 59.A N GLN 56.A O no hydrogen 2.721 N/A SER 60.A OG ASN 62.A OD1 no hydrogen 3.310 N/A ASN 62.A N SER 60.A O no hydrogen 2.893 N/A ILE 66.A N SER 64.A OG no hydrogen 3.266 N/A HIS 67.A N SER 64.A O no hydrogen 2.773 N/A VAL 68.A N SER 64.A O no hydrogen 3.371 N/A ASN 69.A N ILE 65.A O no hydrogen 3.327 N/A SER 70.A OG THR 43.A O no hydrogen 3.199 N/A SER 70.A OG THR 43.A OG1 no hydrogen 3.369 N/A SER 70.A OG ILE 66.A O no hydrogen 2.958 N/A TYR 71.A N HIS 67.A O no hydrogen 2.858 N/A TYR 71.A OH ASP 129.A OD1 no hydrogen 3.087 N/A LEU 72.A N VAL 68.A O no hydrogen 2.636 N/A TYR 73.A N ASN 69.A O no hydrogen 2.917 N/A GLY 74.A N SER 70.A O no hydrogen 3.193 N/A ALA 75.A N TYR 71.A O no hydrogen 2.784 N/A LEU 76.A N TYR 73.A O no hydrogen 3.170 N/A LYS 77.A N TYR 73.A O no hydrogen 3.201 N/A ARG 80.A N ASP 78.A OD2 no hydrogen 3.391 N/A LEU 83.A N ASP 99.A O no hydrogen 3.155 N/A TRP 87.A N GLY 95.A O no hydrogen 3.235 N/A TRP 87.A NE1 ASP 271.A O no hydrogen 2.844 N/A SER 88.A OG ASN 93.A OD1 no hydrogen 3.129 N/A SER 89.A N ILE 92.A O no hydrogen 3.197 N/A SER 89.A OG GLU 266.A OE2 no hydrogen 3.328 N/A PHE 90.A N GLU 266.A OE1 no hydrogen 2.889 N/A ILE 92.A N SER 89.A O no hydrogen 3.120 N/A ASP 99.A N LYS 96.A O no hydrogen 3.114 N/A ILE 101.A N GLY 81.A O no hydrogen 3.075 N/A GLY 102.A N ASP 105.A OD2 no hydrogen 2.494 N/A ASP 105.A N GLY 102.A O no hydrogen 2.860 N/A LEU 109.A N LEU 39.A O no hydrogen 3.400 N/A LYS 110.A NZ THR 44.A OG1 no hydrogen 2.635 N/A SER 121.A OG ASP 122.A OD1 no hydrogen 2.345 N/A ALA 123.A N SER 121.A O no hydrogen 2.770 N/A SER 124.A N ASP 122.A O no hydrogen 2.583 N/A SER 124.A OG ASP 122.A O no hydrogen 3.052 N/A SER 127.A N THR 126.A OG1 no hydrogen 2.492 N/A TRP 132.A N ASP 129.A O no hydrogen 2.790 N/A LEU 133.A N ASP 129.A O no hydrogen 2.919 N/A TYR 136.A N TRP 132.A O no hydrogen 3.141 N/A TYR 136.A N LEU 133.A O no hydrogen 3.196 N/A LEU 137.A N LEU 133.A O no hydrogen 3.134 N/A LEU 138.A N PRO 134.A O no hydrogen 2.978 N/A GLY 139.A N LEU 135.A O no hydrogen 2.951 N/A LEU 140.A N TYR 136.A O no hydrogen 3.042 N/A TYR 141.A N LEU 138.A O no hydrogen 3.163 N/A TYR 141.A OH ASP 279.A OD2 no hydrogen 2.638 N/A ARG 142.A N GLY 139.A O no hydrogen 3.010 N/A VAL 143.A N GLY 139.A O no hydrogen 3.496 N/A GLY 144.A N LEU 140.A O no hydrogen 2.998 N/A ARG 145.A N ARG 142.A O no hydrogen 2.851 N/A THR 146.A OG1 GLU 150.A OE2 no hydrogen 2.971 N/A TYR 151.A N MET 148.A O no hydrogen 3.319 N/A TYR 151.A OH PRO 175.A O no hydrogen 2.676 N/A LYS 154.A N TYR 151.A O no hydrogen 2.825 N/A LYS 154.A NZ GLU 150.A OE1 no hydrogen 2.813 N/A LEU 155.A N ARG 152.A O no hydrogen 3.269 N/A LEU 159.A N LEU 155.A O no hydrogen 3.377 N/A THR 160.A N MET 156.A O no hydrogen 3.297 N/A THR 160.A OG1 MET 156.A O no hydrogen 3.166 N/A ASN 161.A N ASP 157.A O no hydrogen 3.224 N/A ASN 161.A N GLY 158.A O no hydrogen 2.901 N/A ASN 161.A ND2 ASN 161.A O no hydrogen 3.016 N/A GLN 162.A N GLY 158.A O no hydrogen 3.099 N/A GLN 162.A N LEU 159.A O no hydrogen 3.006 N/A CYS 163.A N LEU 159.A O no hydrogen 3.291 N/A CYS 163.A SG LEU 159.A O no hydrogen 3.771 N/A GLY 177.A N GLU 176.A OE1 no hydrogen 2.807 N/A ARG 178.A N GLU 176.A OE1 no hydrogen 3.187 N/A ARG 178.A N ASP 182.A OD1 no hydrogen 2.628 N/A ASP 179.A N ASP 182.A OD2 no hydrogen 2.613 N/A TRP 184.A N PHE 181.A O no hydrogen 3.006 N/A ASN 186.A N VAL 183.A O no hydrogen 3.063 N/A ASN 186.A ND2 ASN 186.A O no hydrogen 3.051 N/A ASP 187.A N TRP 184.A O no hydrogen 3.179 N/A SER 188.A OG ASN 189.A OD1 no hydrogen 3.481 N/A TYR 190.A N ASP 187.A O no hydrogen 2.792 N/A TYR 190.A N ASP 187.A OD2 no hydrogen 3.216 N/A TYR 190.A OH LEU 137.A O no hydrogen 2.749 N/A THR 191.A N ASP 187.A O no hydrogen 3.321 N/A THR 191.A OG1 SER 188.A O no hydrogen 3.351 N/A THR 191.A OG1 ASP 279.A O no hydrogen 2.851 N/A LYS 192.A NZ PRO 38.A O no hydrogen 3.008 N/A LYS 192.A NZ SER 188.A OG no hydrogen 3.376 N/A ILE 193.A N ASN 189.A O no hydrogen 3.387 N/A ILE 193.A N TYR 190.A O no hydrogen 2.975 N/A VAL 194.A N TYR 190.A O no hydrogen 3.171 N/A ALA 195.A N THR 191.A O no hydrogen 2.832 N/A ALA 196.A N LYS 192.A O no hydrogen 3.032 N/A VAL 197.A N ILE 193.A O no hydrogen 2.864 N/A ASP 198.A N VAL 194.A O no hydrogen 2.973 N/A MET 199.A N ALA 195.A O no hydrogen 2.798 N/A PHE 200.A N ALA 196.A O no hydrogen 2.980 N/A PHE 201.A N VAL 197.A O no hydrogen 2.941 N/A MET 203.A N PHE 200.A O no hydrogen 3.198 N/A PHE 204.A N PHE 200.A O no hydrogen 3.154 N/A HIS 207.A N PHE 204.A O no hydrogen 2.938 N/A CYS 209.A N HIS 207.A ND1 no hydrogen 3.000 N/A ALA 210.A N HIS 207.A O no hydrogen 3.264 N/A PHE 212.A N CYS 209.A O no hydrogen 3.155 N/A ARG 213.A N ALA 210.A O no hydrogen 3.330 N/A ARG 213.A NE ASP 198.A OD1 no hydrogen 2.570 N/A ARG 213.A NH1 PHE 201.A O no hydrogen 3.372 N/A TYR 214.A N SER 211.A O no hydrogen 3.116 N/A GLY 215.A N ARG 213.A O no hydrogen 2.611 N/A THR 216.A N ARG 213.A O no hydrogen 3.031 N/A THR 216.A OG1 VAL 194.A O no hydrogen 3.134 N/A ILE 217.A N ARG 213.A O no hydrogen 2.975 N/A SER 219.A N THR 216.A O no hydrogen 3.351 N/A SER 219.A OG ASP 279.A OD2 no hydrogen 3.010 N/A ARG 220.A N ILE 217.A O no hydrogen 3.091 N/A ARG 220.A NE TYR 276.A OH no hydrogen 2.868 N/A ARG 220.A NH2 TYR 276.A OH no hydrogen 3.523 N/A PHE 221.A N PRO 275.A O no hydrogen 2.908 N/A LYS 222.A N SER 219.A O no hydrogen 3.076 N/A LYS 222.A NZ TYR 141.A OH no hydrogen 3.049 N/A LYS 222.A NZ ASP 279.A OD1 no hydrogen 2.819 N/A CYS 224.A N PHE 221.A O no hydrogen 3.021 N/A CYS 224.A SG LYS 222.A O no hydrogen 3.577 N/A ALA 226.A N TYR 288.A O no hydrogen 3.057 N/A THR 229.A N ALA 225.A O no hydrogen 2.860 N/A PHE 230.A N ALA 226.A O no hydrogen 3.019 N/A GLY 231.A N LEU 227.A O no hydrogen 3.101 N/A HIS 232.A N ALA 228.A O no hydrogen 2.927 N/A LEU 233.A N THR 229.A O no hydrogen 2.832 N/A CYS 234.A N PHE 230.A O no hydrogen 3.026 N/A CYS 234.A SG PHE 230.A O no hydrogen 3.482 N/A LYS 235.A N GLY 231.A O no hydrogen 3.075 N/A ILE 236.A N HIS 232.A O no hydrogen 2.834 N/A THR 237.A N LEU 233.A O no hydrogen 3.228 N/A THR 237.A OG1 LEU 233.A O no hydrogen 3.077 N/A MET 239.A N THR 237.A OG1 no hydrogen 3.285 N/A ASP 243.A N SER 240.A OG no hydrogen 2.793 N/A VAL 244.A N SER 240.A O no hydrogen 2.979 N/A THR 245.A N THR 241.A O no hydrogen 3.249 N/A THR 245.A OG1 THR 241.A O no hydrogen 2.939 N/A THR 246.A N ASP 243.A O no hydrogen 2.945 N/A THR 246.A OG1 ASP 243.A O no hydrogen 2.771 N/A TRP 247.A N ASP 243.A O no hydrogen 3.348 N/A TRP 247.A N VAL 244.A O no hydrogen 2.881 N/A TRP 247.A NE1 ARG 367.A O no hydrogen 3.107 N/A ILE 248.A N THR 245.A O no hydrogen 3.199 N/A ASN 250.A ND2 SER 325.A O no hydrogen 3.191 N/A GLU 252.A N GLU 252.A OE2 no hydrogen 2.529 N/A ALA 254.A N ASN 250.A O no hydrogen 3.068 N/A ASP 255.A N ARG 251.A O no hydrogen 2.794 N/A GLU 256.A N GLU 252.A O no hydrogen 3.167 N/A MET 257.A N VAL 253.A O no hydrogen 2.812 N/A VAL 258.A N ALA 254.A O no hydrogen 3.006 N/A GLN 259.A N ASP 255.A O no hydrogen 3.110 N/A GLN 259.A NE2 LYS 292.A O no hydrogen 3.430 N/A MET 260.A N GLU 256.A O no hydrogen 3.025 N/A MET 261.A N VAL 258.A O no hydrogen 3.161 N/A LYS 269.A N GLU 266.A O no hydrogen 3.150 N/A LYS 269.A NZ SER 88.A O no hydrogen 3.245 N/A TYR 273.A N SER 89.A OG no hydrogen 3.368 N/A MET 274.A N SER 272.A OG no hydrogen 2.739 N/A TYR 276.A N TYR 273.A O no hydrogen 2.908 N/A TYR 276.A OH ASP 198.A OD2 no hydrogen 2.326 N/A LEU 277.A N MET 274.A O no hydrogen 3.063 N/A PHE 280.A N TYR 276.A O no hydrogen 3.147 N/A GLY 281.A N ILE 278.A O no hydrogen 3.124 N/A LEU 282.A N LEU 277.A O no hydrogen 2.911 N/A SER 283.A OG GLU 25.A O no hydrogen 2.778 N/A SER 284.A N GLU 25.A OE1 no hydrogen 3.320 N/A SER 284.A OG GLU 25.A OE1 no hydrogen 2.837 N/A SER 284.A OG GLU 25.A OE2 no hydrogen 3.299 N/A LYS 285.A N SER 283.A OG no hydrogen 3.360 N/A SER 286.A OG ASP 223.A O no hydrogen 2.821 N/A TYR 288.A N SER 286.A OG no hydrogen 3.095 N/A SER 289.A N SER 286.A O no hydrogen 3.412 N/A SER 289.A OG SER 286.A O no hydrogen 3.326 N/A LYS 292.A N SER 289.A OG no hydrogen 3.023 N/A ASN 293.A ND2 PRO 287.A O no hydrogen 2.814 N/A ASN 293.A ND2 SER 289.A O no hydrogen 2.729 N/A PHE 296.A N GLU 256.A OE2 no hydrogen 2.862 N/A HIS 297.A N ASN 293.A O no hydrogen 2.872 N/A PHE 298.A N PRO 294.A O no hydrogen 2.936 N/A TRP 299.A N ALA 295.A O no hydrogen 3.038 N/A GLY 300.A N PHE 296.A O no hydrogen 2.928 N/A GLN 301.A N HIS 297.A O no hydrogen 3.076 N/A LEU 302.A N PHE 298.A O no hydrogen 2.785 N/A THR 303.A N TRP 299.A O no hydrogen 2.941 N/A THR 303.A OG1 TRP 299.A O no hydrogen 3.050 N/A ALA 304.A N GLY 300.A O no hydrogen 3.134 N/A LEU 305.A N GLN 301.A O no hydrogen 3.043 N/A LEU 305.A N LEU 302.A O no hydrogen 2.804 N/A LEU 306.A N LEU 302.A O no hydrogen 3.136 N/A LEU 307.A N THR 303.A O no hydrogen 3.204 N/A ARG 308.A N LEU 305.A O no hydrogen 3.025 N/A SER 309.A N ALA 304.A O no hydrogen 2.844 N/A ALA 312.A N SER 309.A OG no hydrogen 3.127 N/A ARG 313.A N THR 310.A O no hydrogen 3.120 N/A ASN 314.A N ARG 311.A O no hydrogen 3.284 N/A ALA 315.A N ALA 312.A O no hydrogen 3.392 N/A GLN 317.A N LYS 404.A O no hydrogen 3.112 N/A TYR 323.A OH PRO 318.A O no hydrogen 2.750 N/A SER 325.A OG GLU 322.A OE2 no hydrogen 3.214 N/A LEU 326.A N GLU 322.A O no hydrogen 2.965 N/A THR 327.A N TYR 323.A O no hydrogen 3.009 N/A THR 327.A OG1 TYR 323.A O no hydrogen 3.558 N/A THR 327.A OG1 THR 324.A O no hydrogen 3.386 N/A THR 328.A N THR 324.A O no hydrogen 2.972 N/A THR 328.A OG1 THR 324.A O no hydrogen 3.229 N/A ALA 329.A N SER 325.A O no hydrogen 3.246 N/A GLY 330.A N LEU 326.A O no hydrogen 3.138 N/A LEU 331.A N THR 327.A O no hydrogen 2.852 N/A LEU 332.A N THR 328.A O no hydrogen 3.027 N/A TYR 333.A N ALA 329.A O no hydrogen 3.208 N/A ALA 334.A N GLY 330.A O no hydrogen 2.950 N/A TYR 335.A N LEU 331.A O no hydrogen 2.948 N/A TYR 335.A OH ASP 386.A OD1 no hydrogen 2.467 N/A ALA 336.A N LEU 332.A O no hydrogen 2.836 N/A VAL 337.A N TYR 333.A O no hydrogen 3.079 N/A SER 339.A N TYR 335.A O no hydrogen 3.056 N/A SER 339.A OG TYR 335.A O no hydrogen 2.645 N/A SER 340.A OG ALA 336.A O no hydrogen 3.352 N/A SER 340.A OG SER 340.A O no hydrogen 2.522 N/A SER 340.A OG GLY 366.A O no hydrogen 3.271 N/A GLN 345.A NE2 PHE 347.A O no hydrogen 2.615 N/A LYS 353.A N GLN 345.A OE1 no hydrogen 3.264 N/A ASP 357.A N THR 355.A O no hydrogen 2.629 N/A THR 359.A OG1 THR 360.A OG1 no hydrogen 3.240 N/A THR 360.A OG1 THR 359.A OG1 no hydrogen 3.240 N/A GLN 365.A N GLN 365.A OE1 no hydrogen 3.123 N/A ARG 367.A NE SER 340.A O no hydrogen 3.447 N/A ARG 367.A NH2 SER 340.A O no hydrogen 3.566 N/A VAL 370.A N ASP 368.A OD1 no hydrogen 2.723 N/A GLU 371.A N ASP 368.A OD1 no hydrogen 3.123 N/A TRP 372.A N ASP 368.A O no hydrogen 3.041 N/A TRP 372.A NE1 GLY 366.A O no hydrogen 2.845 N/A LEU 373.A N VAL 369.A O no hydrogen 2.756 N/A GLY 374.A N VAL 370.A O no hydrogen 2.994 N/A TRP 375.A N GLU 371.A O no hydrogen 2.932 N/A TRP 375.A NE1 ASN 361.A O no hydrogen 3.216 N/A PHE 376.A N TRP 372.A O no hydrogen 2.956 N/A GLU 377.A N LEU 373.A O no hydrogen 2.988 N/A ASP 378.A N GLY 374.A O no hydrogen 3.055 N/A GLN 379.A N PHE 376.A O no hydrogen 2.971 N/A ASN 380.A N GLU 377.A O no hydrogen 2.936 N/A ARG 381.A N PHE 376.A O no hydrogen 3.035 N/A MET 388.A N THR 384.A O no hydrogen 2.994 N/A GLN 389.A N PRO 385.A O no hydrogen 2.933 N/A TYR 390.A N ASP 386.A O no hydrogen 2.719 N/A ALA 391.A N MET 387.A O no hydrogen 3.144 N/A LYS 392.A N MET 388.A O no hydrogen 3.192 N/A ARG 393.A N GLN 389.A O no hydrogen 3.175 N/A ALA 394.A N TYR 390.A O no hydrogen 3.379 N/A VAL 395.A N ALA 391.A O no hydrogen 3.282 N/A VAL 395.A N LYS 392.A O no hydrogen 3.241 N/A MET 396.A N LYS 392.A O no hydrogen 2.803 N/A SER 397.A OG MET 396.A O no hydrogen 2.401 N/A LEU 398.A N VAL 395.A O no hydrogen 3.286 N/A LYS 404.A NZ ASP 319.A OD2 no hydrogen 3.266 N/A THR 405.A OG1 ARG 402.A O no hydrogen 2.837 N/A ILE 406.A N ALA 315.A O no hydrogen 2.854 N/A LYS 408.A N THR 405.A OG1 no hydrogen 3.142 N/A TYR 409.A N THR 405.A O no hydrogen 3.090 N/A ALA 410.A N ILE 406.A O no hydrogen 3.077 N/A LYS 411.A N GLY 407.A O no hydrogen 3.153 N/A LYS 411.A NZ LEU 398.A O no hydrogen 3.009 N/A SER 412.A N LYS 408.A O no hydrogen 3.135 N/A GLU 413.A N TYR 409.A O no hydrogen 3.084 N/A PHE 414.A N ALA 410.A O no hydrogen 3.054 N/A PHE 414.A N LYS 411.A O no hydrogen 3.208 N/A ASP 415.A N LYS 411.A O no hydrogen 2.794 N/A