Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3puy_E.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A N GLY 54.A O no hydrogen 3.429 N/A LYS 1.A N ASP 55.A OD1 no hydrogen 2.778 N/A GLY 5.A N ASN 272.A OD1 no hydrogen 2.846 N/A LEU 7.A N LYS 34.A O no hydrogen 3.110 N/A VAL 8.A N ASP 58.A OD2 no hydrogen 2.811 N/A ILE 9.A N THR 36.A O no hydrogen 2.749 N/A TRP 10.A N ILE 59.A O no hydrogen 2.859 N/A TRP 10.A NE1 GLU 38.A OE1 no hydrogen 3.021 N/A ILE 11.A N GLU 38.A O no hydrogen 3.109 N/A ASN 12.A ND2 ASP 14.A OD1 no hydrogen 3.244 N/A LYS 15.A N ASN 12.A O no hydrogen 3.010 N/A GLY 19.A N ASP 296.A OD1 no hydrogen 3.025 N/A LEU 20.A N GLY 16.A O no hydrogen 3.056 N/A ALA 21.A N TYR 17.A O no hydrogen 2.915 N/A GLU 22.A N ASN 18.A O no hydrogen 3.195 N/A VAL 23.A N GLY 19.A O no hydrogen 3.196 N/A GLY 24.A N LEU 20.A O no hydrogen 3.007 N/A LYS 25.A N ALA 21.A O no hydrogen 2.856 N/A LYS 26.A N GLU 22.A O no hydrogen 3.193 N/A LYS 26.A NZ ASP 30.A OD1 no hydrogen 3.146 N/A PHE 27.A N VAL 23.A O no hydrogen 3.024 N/A GLU 28.A N GLY 24.A O no hydrogen 2.999 N/A LYS 29.A N LYS 25.A O no hydrogen 3.147 N/A ASP 30.A N LYS 26.A O no hydrogen 3.219 N/A ASP 30.A N PHE 27.A O no hydrogen 3.190 N/A THR 31.A N PHE 27.A O no hydrogen 2.867 N/A THR 31.A OG1 PHE 27.A O no hydrogen 2.508 N/A GLY 32.A N GLU 28.A O no hydrogen 2.923 N/A THR 36.A N LEU 7.A O no hydrogen 2.773 N/A GLU 38.A N ILE 9.A O no hydrogen 2.748 N/A GLU 44.A N GLU 44.A OE1 no hydrogen 2.720 N/A GLU 45.A N LYS 42.A O no hydrogen 3.035 N/A LYS 46.A N LYS 42.A O no hydrogen 2.802 N/A LYS 46.A NZ ASP 41.A O no hydrogen 2.699 N/A PHE 47.A N LEU 43.A O no hydrogen 2.948 N/A VAL 50.A N LYS 46.A O no hydrogen 3.300 N/A VAL 50.A N PHE 47.A O no hydrogen 3.195 N/A ALA 51.A N PHE 47.A O no hydrogen 2.747 N/A ALA 52.A N PRO 48.A O no hydrogen 3.059 N/A THR 53.A OG1 VAL 50.A O no hydrogen 3.409 N/A THR 53.A OG1 ASP 55.A OD2 no hydrogen 3.535 N/A ASP 55.A N VAL 50.A O no hydrogen 2.908 N/A ASP 58.A N VAL 8.A O no hydrogen 2.795 N/A ILE 59.A N VAL 8.A O no hydrogen 3.201 N/A ILE 60.A N GLY 265.A O no hydrogen 3.000 N/A PHE 61.A N TRP 10.A O no hydrogen 2.828 N/A TRP 62.A N SER 263.A O no hydrogen 3.106 N/A HIS 64.A N VAL 261.A O no hydrogen 2.918 N/A HIS 64.A ND1 VAL 261.A O no hydrogen 3.240 N/A HIS 64.A NE2 MET 330.A O no hydrogen 2.882 N/A ARG 66.A N ALA 63.A O no hydrogen 3.306 N/A ARG 66.A NH2 GLU 45.A OE2 no hydrogen 3.055 N/A PHE 67.A N HIS 64.A O no hydrogen 2.878 N/A GLY 69.A N ARG 66.A O no hydrogen 3.266 N/A TYR 70.A N ARG 66.A O no hydrogen 3.268 N/A TYR 70.A OH GLU 44.A O no hydrogen 2.505 N/A ALA 71.A N PHE 67.A O no hydrogen 2.813 N/A GLN 72.A NE2 TYR 99.A OH no hydrogen 3.041 N/A SER 73.A N GLY 69.A O no hydrogen 3.124 N/A SER 73.A OG GLY 69.A O no hydrogen 2.944 N/A GLY 74.A N ALA 71.A O no hydrogen 3.037 N/A LEU 75.A N TYR 70.A O no hydrogen 2.959 N/A ALA 77.A N ILE 266.A O no hydrogen 2.904 N/A ILE 79.A N LEU 103.A O no hydrogen 3.200 N/A PHE 85.A N ASP 82.A OD2 no hydrogen 2.802 N/A GLN 86.A N ASP 82.A O no hydrogen 2.900 N/A GLN 86.A NE2 PRO 81.A O no hydrogen 2.968 N/A ASP 87.A N LYS 83.A O no hydrogen 2.923 N/A LYS 88.A N PHE 85.A O no hydrogen 2.845 N/A TYR 90.A N ALA 303.A O no hydrogen 3.118 N/A THR 93.A N TYR 90.A O no hydrogen 3.185 N/A THR 93.A OG1 TYR 90.A O no hydrogen 2.614 N/A TRP 94.A N PRO 91.A O no hydrogen 3.253 N/A TRP 94.A NE1 GLN 86.A O no hydrogen 3.055 N/A ASP 95.A N PHE 92.A O no hydrogen 3.196 N/A ALA 96.A N THR 93.A O no hydrogen 3.144 N/A TYR 99.A N LYS 102.A O no hydrogen 2.815 N/A LYS 102.A N TYR 99.A O no hydrogen 3.049 N/A ILE 104.A N VAL 97.A O no hydrogen 2.864 N/A TYR 106.A N ALA 264.A O no hydrogen 2.781 N/A TYR 106.A OH GLU 281.A OE2 no hydrogen 2.946 N/A ILE 108.A N LEU 262.A O no hydrogen 2.575 N/A VAL 110.A N ALA 301.A O no hydrogen 2.518 N/A GLU 111.A N GLY 260.A O no hydrogen 3.027 N/A LEU 115.A N THR 245.A O no hydrogen 2.814 N/A ILE 116.A N THR 225.A O no hydrogen 2.824 N/A TYR 117.A N GLY 243.A O no hydrogen 2.952 N/A ASN 118.A N ALA 223.A O no hydrogen 2.636 N/A LYS 119.A N ASN 241.A O no hydrogen 3.073 N/A LYS 119.A NZ TYR 117.A OH no hydrogen 3.402 N/A ASP 120.A N ASN 118.A OD1 no hydrogen 3.290 N/A LEU 122.A N ASN 118.A O no hydrogen 2.851 N/A LYS 127.A NZ PRO 125.A O no hydrogen 3.535 N/A THR 128.A OG1 GLU 131.A OE2 no hydrogen 3.404 N/A TRP 129.A N THR 249.A O no hydrogen 2.748 N/A TRP 129.A NE1 SER 255.A OG no hydrogen 3.068 N/A ILE 132.A N TRP 129.A O no hydrogen 3.171 N/A LEU 135.A N GLU 131.A O no hydrogen 2.978 N/A ASP 136.A N ILE 132.A O no hydrogen 2.731 N/A LEU 139.A N ASP 136.A O no hydrogen 3.003 N/A LYS 140.A N ASP 136.A O no hydrogen 2.753 N/A LYS 140.A NZ ASP 136.A OD1 no hydrogen 3.447 N/A LYS 140.A NZ ASP 136.A OD2 no hydrogen 3.419 N/A LYS 140.A NZ LYS 202.A O no hydrogen 3.287 N/A ALA 141.A N LYS 137.A O no hydrogen 3.368 N/A LYS 142.A N LEU 139.A O no hydrogen 2.844 N/A GLY 143.A N LYS 140.A O no hydrogen 3.037 N/A LYS 144.A NZ GLY 220.A O no hydrogen 3.541 N/A SER 145.A OG GLU 221.A O no hydrogen 3.287 N/A ALA 146.A N ASP 136.A OD1 no hydrogen 3.332 N/A MET 148.A N MET 224.A O no hydrogen 3.314 N/A LEU 151.A N THR 208.A O no hydrogen 2.798 N/A GLN 152.A N ASN 150.A OD1 no hydrogen 3.061 N/A PHE 156.A N GLU 153.A O no hydrogen 2.938 N/A THR 157.A N PRO 154.A O no hydrogen 3.130 N/A THR 157.A OG1 PRO 154.A O no hydrogen 3.228 N/A TRP 158.A N PRO 154.A O no hydrogen 2.740 N/A ILE 161.A N THR 157.A O no hydrogen 3.363 N/A ALA 162.A N TRP 158.A O no hydrogen 2.762 N/A ALA 163.A N LEU 160.A O no hydrogen 3.286 N/A TYR 167.A N GLY 182.A O no hydrogen 2.750 N/A TYR 167.A OH ASP 180.A OD1 no hydrogen 3.337 N/A TYR 167.A OH ASP 180.A OD2 no hydrogen 3.274 N/A ALA 168.A N GLU 328.A OE1 no hydrogen 3.296 N/A LYS 170.A N ASP 180.A O no hydrogen 3.186 N/A GLU 172.A N LYS 175.A O no hydrogen 3.332 N/A TYR 176.A OH ILE 329.A O no hydrogen 3.288 N/A ASP 177.A N LYS 170.A O no hydrogen 2.923 N/A ASP 180.A N ASP 177.A O no hydrogen 3.066 N/A GLY 182.A N TYR 167.A O no hydrogen 3.136 N/A VAL 183.A N GLN 365.A OE1 no hydrogen 2.961 N/A ASN 185.A ND2 GLY 165.A O no hydrogen 3.535 N/A ALA 188.A N ASN 185.A OD1 no hydrogen 3.157 N/A LYS 189.A N ASN 185.A O no hydrogen 3.092 N/A ALA 190.A N ALA 186.A O no hydrogen 3.048 N/A GLY 191.A N GLY 187.A O no hydrogen 3.238 N/A LEU 192.A N ALA 188.A O no hydrogen 3.300 N/A THR 193.A N LYS 189.A O no hydrogen 2.939 N/A THR 193.A OG1 LYS 189.A O no hydrogen 2.636 N/A PHE 194.A N ALA 190.A O no hydrogen 3.289 N/A LEU 195.A N GLY 191.A O no hydrogen 3.034 N/A VAL 196.A N LEU 192.A O no hydrogen 2.928 N/A ASP 197.A N THR 193.A O no hydrogen 3.122 N/A LEU 198.A N PHE 194.A O no hydrogen 3.216 N/A LYS 200.A N VAL 196.A O no hydrogen 2.787 N/A ASN 201.A N ASP 197.A O no hydrogen 2.948 N/A LYS 202.A N ILE 199.A O no hydrogen 2.944 N/A HIS 203.A N LEU 198.A O no hydrogen 2.809 N/A HIS 203.A ND1 ASP 136.A OD2 no hydrogen 2.690 N/A MET 204.A N LEU 198.A O no hydrogen 3.118 N/A THR 208.A OG1 ASN 205.A O no hydrogen 3.217 N/A ILE 212.A N ASP 209.A OD1 no hydrogen 3.059 N/A ALA 213.A N ASP 209.A O no hydrogen 3.336 N/A GLU 214.A N TYR 210.A O no hydrogen 3.044 N/A ALA 215.A N SER 211.A O no hydrogen 3.357 N/A ALA 216.A N ILE 212.A O no hydrogen 3.053 N/A PHE 217.A N ALA 213.A O no hydrogen 3.088 N/A ASN 218.A N GLU 214.A O no hydrogen 3.116 N/A ASN 218.A ND2 GLU 214.A O no hydrogen 2.869 N/A LYS 219.A N ALA 215.A O no hydrogen 3.227 N/A GLY 220.A N PHE 217.A O no hydrogen 3.111 N/A GLU 221.A N ALA 216.A O no hydrogen 2.785 N/A THR 222.A N ALA 216.A O no hydrogen 3.277 N/A THR 222.A OG1 SER 145.A O no hydrogen 3.253 N/A THR 222.A OG1 ALA 146.A O no hydrogen 2.886 N/A ALA 223.A N SER 145.A O no hydrogen 3.010 N/A MET 224.A N ALA 146.A O no hydrogen 3.072 N/A THR 225.A N ILE 116.A O no hydrogen 2.764 N/A THR 225.A OG1 MET 148.A O no hydrogen 2.662 N/A ASN 227.A ND2 TYR 210.A OH no hydrogen 3.355 N/A GLY 228.A N ASN 227.A OD1 no hydrogen 2.966 N/A TRP 230.A NE1 TYR 210.A OH no hydrogen 3.072 N/A ALA 231.A N GLY 228.A O no hydrogen 3.012 N/A TRP 232.A N PRO 229.A O no hydrogen 3.340 N/A ASN 234.A ND2 GLU 214.A OE1 no hydrogen 2.900 N/A ILE 235.A N ALA 231.A O no hydrogen 3.462 N/A ASP 236.A N TRP 232.A O no hydrogen 3.008 N/A THR 237.A N ASN 234.A O no hydrogen 3.251 N/A THR 237.A OG1 SER 233.A O no hydrogen 2.880 N/A SER 238.A N ASN 234.A O no hydrogen 3.398 N/A SER 238.A OG ASN 218.A OD1 no hydrogen 2.776 N/A GLY 243.A N TYR 117.A O no hydrogen 2.951 N/A THR 245.A N LEU 115.A O no hydrogen 2.840 N/A VAL 246.A N THR 245.A OG1 no hydrogen 2.705 N/A LEU 247.A N ASN 323.A OD1 no hydrogen 2.929 N/A THR 249.A N LYS 127.A O no hydrogen 2.586 N/A THR 249.A OG1 LYS 127.A O no hydrogen 3.277 N/A PHE 250.A N GLN 253.A O no hydrogen 2.900 N/A LYS 251.A N GLU 130.A OE2 no hydrogen 2.689 N/A LYS 251.A NZ ASP 164.A OD1 no hydrogen 3.009 N/A LYS 251.A NZ ASP 164.A OD2 no hydrogen 3.409 N/A GLN 253.A N PHE 250.A O no hydrogen 3.108 N/A SER 255.A OG PRO 248.A O no hydrogen 2.888 N/A LYS 256.A N PRO 159.A O no hydrogen 3.368 N/A VAL 259.A N GLU 328.A O no hydrogen 2.744 N/A GLY 260.A N GLU 111.A O no hydrogen 2.908 N/A VAL 261.A N HIS 64.A ND1 no hydrogen 2.922 N/A LEU 262.A N ALA 109.A O no hydrogen 2.807 N/A SER 263.A N TRP 62.A O no hydrogen 3.083 N/A SER 263.A OG VAL 261.A O no hydrogen 3.167 N/A ALA 264.A N TYR 106.A O no hydrogen 2.806 N/A GLY 265.A N ILE 60.A O no hydrogen 2.930 N/A ASN 267.A N ASP 58.A O no hydrogen 3.022 N/A ASN 267.A ND2 ASP 55.A O no hydrogen 3.302 N/A ASN 267.A ND2 PRO 57.A O no hydrogen 2.880 N/A ALA 268.A N LEU 75.A O no hydrogen 2.757 N/A ALA 269.A N ASN 267.A OD1 no hydrogen 3.016 N/A SER 270.A N ASN 267.A O no hydrogen 3.105 N/A SER 270.A OG ASP 58.A OD1 no hydrogen 2.955 N/A ASN 272.A N SER 270.A OG no hydrogen 2.978 N/A ASN 272.A ND2 GLU 3.A O no hydrogen 3.309 N/A ASN 272.A ND2 ASP 58.A OD1 no hydrogen 2.648 N/A LYS 273.A NZ ASN 267.A O no hydrogen 3.542 N/A LYS 273.A NZ ALA 268.A O no hydrogen 2.660 N/A LYS 273.A NZ SER 270.A O no hydrogen 3.369 N/A ALA 276.A N ASN 272.A O no hydrogen 2.712 N/A LYS 277.A N LYS 273.A O no hydrogen 2.833 N/A LYS 277.A NZ THR 80.A O no hydrogen 2.731 N/A LYS 277.A NZ GLU 281.A OE2 no hydrogen 3.072 N/A GLU 278.A N GLU 274.A O no hydrogen 3.006 N/A PHE 279.A N LEU 275.A O no hydrogen 2.957 N/A LEU 280.A N ALA 276.A O no hydrogen 2.842 N/A GLU 281.A N LYS 277.A O no hydrogen 2.779 N/A ASN 282.A N GLU 278.A O no hydrogen 2.943 N/A ASN 282.A ND2 GLU 278.A OE1 no hydrogen 2.916 N/A ASN 282.A ND2 GLU 278.A OE2 no hydrogen 3.133 N/A TYR 283.A N PHE 279.A O no hydrogen 3.085 N/A TYR 283.A OH ASP 30.A OD2 no hydrogen 2.732 N/A LEU 284.A N PHE 279.A O no hydrogen 2.873 N/A LEU 285.A N LEU 280.A O no hydrogen 2.902 N/A THR 286.A N LEU 284.A O no hydrogen 2.620 N/A THR 286.A OG1 TYR 283.A O no hydrogen 3.056 N/A GLY 289.A N THR 286.A OG1 no hydrogen 2.833 N/A LEU 290.A N THR 286.A O no hydrogen 2.994 N/A GLU 291.A N ASP 287.A O no hydrogen 3.368 N/A ALA 292.A N GLY 289.A O no hydrogen 3.137 N/A ASN 294.A N LEU 290.A O no hydrogen 2.926 N/A LYS 295.A N GLU 291.A O no hydrogen 2.762 N/A ASP 296.A N ALA 292.A O no hydrogen 3.402 N/A LYS 297.A N VAL 293.A O no hydrogen 2.997 N/A LYS 297.A NZ GLY 13.A O no hydrogen 3.160 N/A LEU 299.A N ASN 294.A OD1 no hydrogen 2.795 N/A VAL 302.A N GLU 308.A OE1 no hydrogen 2.818 N/A ALA 303.A N ILE 108.A O no hydrogen 2.816 N/A LYS 305.A N LYS 88.A O no hydrogen 2.846 N/A LYS 305.A NZ ASP 87.A O no hydrogen 2.754 N/A LYS 305.A NZ LEU 89.A O no hydrogen 3.034 N/A SER 306.A OG ASP 287.A OD1 no hydrogen 2.885 N/A GLU 308.A N LEU 304.A O no hydrogen 3.049 N/A GLU 309.A N LYS 305.A O no hydrogen 2.756 N/A GLU 310.A N TYR 307.A O no hydrogen 3.077 N/A LEU 311.A N TYR 307.A O no hydrogen 2.805 N/A ALA 312.A N GLU 308.A O no hydrogen 3.028 N/A LYS 313.A N GLU 310.A O no hydrogen 3.377 N/A ASP 314.A N LEU 311.A O no hydrogen 2.911 N/A ILE 317.A N ASP 314.A O no hydrogen 3.126 N/A ALA 319.A N PRO 315.A O no hydrogen 3.049 N/A THR 320.A N ARG 316.A O no hydrogen 3.268 N/A THR 320.A OG1 ARG 316.A O no hydrogen 3.177 N/A MET 321.A N ILE 317.A O no hydrogen 2.968 N/A GLU 322.A N ALA 318.A O no hydrogen 3.112 N/A ASN 323.A N ALA 319.A O no hydrogen 3.036 N/A ASN 323.A ND2 SER 114.A OG no hydrogen 2.746 N/A ALA 324.A N THR 320.A O no hydrogen 3.229 N/A GLN 325.A N MET 321.A O no hydrogen 3.012 N/A LYS 326.A N GLU 322.A O no hydrogen 3.255 N/A GLU 328.A N PRO 257.A O no hydrogen 2.768 N/A MET 330.A N VAL 259.A O no hydrogen 3.304 N/A ASN 332.A N ASN 332.A OD1 no hydrogen 2.664 N/A ASN 332.A ND2 ARG 98.A O no hydrogen 2.887 N/A MET 336.A N ILE 333.A O no hydrogen 3.171 N/A SER 337.A N PRO 334.A O no hydrogen 3.117 N/A SER 337.A OG PRO 334.A O no hydrogen 2.643 N/A TRP 340.A N MET 336.A O no hydrogen 2.981 N/A ALA 342.A N ALA 338.A O no hydrogen 3.196 N/A VAL 343.A N PHE 339.A O no hydrogen 3.002 N/A ARG 344.A N TRP 340.A O no hydrogen 3.201 N/A ARG 344.A NE GLU 153.A OE1 no hydrogen 3.306 N/A THR 345.A N TYR 341.A O no hydrogen 3.039 N/A THR 345.A OG1 TYR 341.A O no hydrogen 2.643 N/A ALA 346.A N ALA 342.A O no hydrogen 3.157 N/A VAL 347.A N VAL 343.A O no hydrogen 3.049 N/A ILE 348.A N ARG 344.A O no hydrogen 3.135 N/A ASN 349.A N THR 345.A O no hydrogen 3.155 N/A ASN 349.A ND2 GLN 355.A OE1 no hydrogen 3.569 N/A ALA 350.A N ALA 346.A O no hydrogen 3.064 N/A ALA 351.A N VAL 347.A O no hydrogen 2.786 N/A SER 352.A N ILE 348.A O no hydrogen 3.193 N/A SER 352.A OG ILE 348.A O no hydrogen 2.643 N/A SER 352.A OG ASN 349.A O no hydrogen 3.347 N/A GLY 353.A N ASN 349.A O no hydrogen 3.222 N/A GLN 355.A N ASN 349.A O no hydrogen 3.061 N/A GLN 355.A NE2 ASP 363.A OD2 no hydrogen 3.136 N/A THR 356.A OG1 GLU 359.A OE2 no hydrogen 3.056 N/A ALA 360.A N THR 356.A O no hydrogen 3.152 N/A LEU 361.A N VAL 357.A O no hydrogen 3.334 N/A LYS 362.A N ASP 358.A O no hydrogen 3.344 N/A ASP 363.A N GLU 359.A O no hydrogen 2.741 N/A ALA 364.A N ALA 360.A O no hydrogen 3.233 N/A GLN 365.A N LEU 361.A O no hydrogen 2.756 N/A THR 366.A N LYS 362.A O no hydrogen 3.282 N/A THR 366.A OG1 LYS 362.A O no hydrogen 2.773 N/A ARG 367.A N ASP 363.A O no hydrogen 3.084 N/A ILE 368.A N ALA 364.A O no hydrogen 3.030 N/A THR 369.A N GLN 365.A O no hydrogen 2.760 N/A THR 369.A OG1 GLN 365.A O no hydrogen 2.716 N/A LYS 370.A N THR 366.A O no hydrogen 3.217 N/A ALA 371.A N ARG 367.A O no hydrogen 3.068 N/A SER 372.A N ILE 368.A O no hydrogen 2.980 N/A SER 374.A N LYS 370.A O no hydrogen 3.036 N/A